----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:09:19]------------------------- 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 1 3] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.522779650035499 -5.482226524999999 0.000000000000000 b 3.522779650035499 5.482226524999999 0.000000000000000 c -3.364377846940783 0.000000000000000 3.823066403916977 Atomic positions (fractional): *1 O 0.44791412494756 0.87134319154493 0.66023850371895 15.999 2 O 0.12865680845507 0.55208587505244 0.83976149628105 15.999 3 O 0.55208587505244 0.12865680845507 0.33976149628105 15.999 4 O 0.87134319154493 0.44791412494756 0.16023850371895 15.999 *5 O 0.22207183229708 0.28374783646075 0.29063480063698 15.999 6 O 0.71625216353925 0.77792816770292 0.20936519936302 15.999 7 O 0.77792816770292 0.71625216353925 0.70936519936302 15.999 8 O 0.28374783646075 0.22207183229708 0.79063480063698 15.999 *9 Nb 0.60528780150881 0.39471219849119 0.25000000000000 92.906 10 Nb 0.39471219849119 0.60528780150881 0.75000000000000 92.906 *11 Tb 0.12916323060316 0.87083676939684 0.25000000000000 158.925 12 Tb 0.87083676939684 0.12916323060316 0.75000000000000 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.045559300070998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.964453049999998 0.000000000000000 c -3.364377846940783 0.000000000000000 3.823066403916977 Atomic positions (fractional): *1 O 0.15962865824624 0.71171453329868 0.66023850371895 15.999 > 1 2 O 0.84037134175376 0.71171453329868 0.83976149628105 15.999 > 2 3 O 0.34037134175376 0.78828546670132 0.33976149628105 15.999 > 3 4 O 0.65962865824624 0.78828546670132 0.16023850371895 15.999 > 4 *5 O 0.75290983437892 0.53083800208184 0.29063480063698 15.999 > 5 6 O 0.24709016562108 0.53083800208184 0.20936519936302 15.999 > 6 7 O 0.74709016562108 0.96916199791816 0.70936519936302 15.999 > 7 8 O 0.25290983437892 0.96916199791816 0.79063480063698 15.999 > 8 9 O 0.65962865824624 0.21171453329868 0.66023850371895 15.999 > 1 10 O 0.34037134175376 0.21171453329868 0.83976149628105 15.999 > 2 11 O 0.84037134175376 0.28828546670132 0.33976149628105 15.999 > 3 12 O 0.15962865824624 0.28828546670132 0.16023850371895 15.999 > 4 13 O 0.25290983437892 0.03083800208184 0.29063480063698 15.999 > 5 14 O 0.74709016562108 0.03083800208184 0.20936519936302 15.999 > 6 15 O 0.24709016562108 0.46916199791816 0.70936519936302 15.999 > 7 16 O 0.75290983437892 0.46916199791816 0.79063480063698 15.999 > 8 *17 Nb 0.50000000000000 0.89471219849119 0.25000000000000 92.906 > 9 18 Nb 0.00000000000000 0.60528780150881 0.75000000000000 92.906 > 10 19 Nb 0.00000000000000 0.39471219849119 0.25000000000000 92.906 > 9 20 Nb 0.50000000000000 0.10528780150880 0.75000000000000 92.906 > 10 *21 Tb 0.00000000000000 0.87083676939684 0.25000000000000 158.925 > 11 22 Tb 0.50000000000000 0.62916323060316 0.75000000000000 158.925 > 12 23 Tb 0.50000000000000 0.37083676939684 0.25000000000000 158.925 > 11 24 Tb 0.00000000000000 0.12916323060316 0.75000000000000 158.925 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.091118600141996 0.000000000000000 0.000000000000000 b 0.000000000000000 10.964453049999998 0.000000000000000 c -10.093133540822349 0.000000000000000 11.469199211750931 Atomic positions (fractional): *1 O 0.07981432912312 0.71171453329868 0.22007950123965 15.999 > 1 2 O 0.57981432912312 0.71171453329868 0.22007950123965 15.999 > 1 3 O 0.07981432912312 0.71171453329868 0.55341283457298 15.999 > 1 4 O 0.57981432912312 0.71171453329868 0.55341283457298 15.999 > 1 5 O 0.07981432912312 0.71171453329868 0.88674616790632 15.999 > 1 6 O 0.57981432912312 0.71171453329868 0.88674616790632 15.999 > 1 7 O 0.42018567087688 0.71171453329868 0.27992049876035 15.999 > 2 8 O 0.92018567087688 0.71171453329868 0.27992049876035 15.999 > 2 9 O 0.42018567087688 0.71171453329868 0.61325383209368 15.999 > 2 10 O 0.92018567087688 0.71171453329868 0.61325383209368 15.999 > 2 11 O 0.42018567087688 0.71171453329868 0.94658716542702 15.999 > 2 12 O 0.92018567087688 0.71171453329868 0.94658716542702 15.999 > 2 13 O 0.17018567087688 0.78828546670132 0.11325383209368 15.999 > 3 14 O 0.67018567087688 0.78828546670132 0.11325383209368 15.999 > 3 15 O 0.17018567087688 0.78828546670132 0.44658716542702 15.999 > 3 16 O 0.67018567087688 0.78828546670132 0.44658716542702 15.999 > 3 17 O 0.17018567087688 0.78828546670132 0.77992049876035 15.999 > 3 18 O 0.67018567087688 0.78828546670132 0.77992049876035 15.999 > 3 19 O 0.32981432912312 0.78828546670132 0.05341283457298 15.999 > 4 20 O 0.82981432912312 0.78828546670132 0.05341283457298 15.999 > 4 21 O 0.32981432912312 0.78828546670132 0.38674616790632 15.999 > 4 22 O 0.82981432912312 0.78828546670132 0.38674616790632 15.999 > 4 23 O 0.32981432912312 0.78828546670132 0.72007950123965 15.999 > 4 24 O 0.82981432912312 0.78828546670132 0.72007950123965 15.999 > 4 *25 O 0.37645491718946 0.53083800208184 0.09687826687899 15.999 > 5 26 O 0.87645491718946 0.53083800208184 0.09687826687899 15.999 > 5 27 O 0.37645491718946 0.53083800208184 0.43021160021233 15.999 > 5 28 O 0.87645491718946 0.53083800208184 0.43021160021233 15.999 > 5 29 O 0.37645491718946 0.53083800208184 0.76354493354566 15.999 > 5 30 O 0.87645491718946 0.53083800208184 0.76354493354566 15.999 > 5 31 O 0.12354508281054 0.53083800208184 0.06978839978767 15.999 > 6 32 O 0.62354508281054 0.53083800208184 0.06978839978767 15.999 > 6 33 O 0.12354508281054 0.53083800208184 0.40312173312101 15.999 > 6 34 O 0.62354508281054 0.53083800208184 0.40312173312101 15.999 > 6 35 O 0.12354508281054 0.53083800208184 0.73645506645434 15.999 > 6 36 O 0.62354508281054 0.53083800208184 0.73645506645434 15.999 > 6 37 O 0.37354508281054 0.96916199791816 0.23645506645434 15.999 > 7 38 O 0.87354508281054 0.96916199791816 0.23645506645434 15.999 > 7 39 O 0.37354508281054 0.96916199791816 0.56978839978767 15.999 > 7 40 O 0.87354508281054 0.96916199791816 0.56978839978767 15.999 > 7 41 O 0.37354508281054 0.96916199791816 0.90312173312101 15.999 > 7 42 O 0.87354508281054 0.96916199791816 0.90312173312101 15.999 > 7 43 O 0.12645491718946 0.96916199791816 0.26354493354566 15.999 > 8 44 O 0.62645491718946 0.96916199791816 0.26354493354566 15.999 > 8 45 O 0.12645491718946 0.96916199791816 0.59687826687899 15.999 > 8 46 O 0.62645491718946 0.96916199791816 0.59687826687899 15.999 > 8 47 O 0.12645491718946 0.96916199791816 0.93021160021233 15.999 > 8 48 O 0.62645491718946 0.96916199791816 0.93021160021233 15.999 > 8 49 O 0.32981432912312 0.21171453329868 0.22007950123965 15.999 > 1 50 O 0.82981432912312 0.21171453329868 0.22007950123965 15.999 > 1 51 O 0.32981432912312 0.21171453329868 0.55341283457298 15.999 > 1 52 O 0.82981432912312 0.21171453329868 0.55341283457298 15.999 > 1 53 O 0.32981432912312 0.21171453329868 0.88674616790632 15.999 > 1 54 O 0.82981432912312 0.21171453329868 0.88674616790632 15.999 > 1 55 O 0.17018567087688 0.21171453329868 0.27992049876035 15.999 > 2 56 O 0.67018567087688 0.21171453329868 0.27992049876035 15.999 > 2 57 O 0.17018567087688 0.21171453329868 0.61325383209368 15.999 > 2 58 O 0.67018567087688 0.21171453329868 0.61325383209368 15.999 > 2 59 O 0.17018567087688 0.21171453329868 0.94658716542702 15.999 > 2 60 O 0.67018567087688 0.21171453329868 0.94658716542702 15.999 > 2 61 O 0.42018567087688 0.28828546670132 0.11325383209368 15.999 > 3 62 O 0.92018567087688 0.28828546670132 0.11325383209368 15.999 > 3 63 O 0.42018567087688 0.28828546670132 0.44658716542702 15.999 > 3 64 O 0.92018567087688 0.28828546670132 0.44658716542702 15.999 > 3 65 O 0.42018567087688 0.28828546670132 0.77992049876035 15.999 > 3 66 O 0.92018567087688 0.28828546670132 0.77992049876035 15.999 > 3 67 O 0.07981432912312 0.28828546670132 0.05341283457298 15.999 > 4 68 O 0.57981432912312 0.28828546670132 0.05341283457298 15.999 > 4 69 O 0.07981432912312 0.28828546670132 0.38674616790632 15.999 > 4 70 O 0.57981432912312 0.28828546670132 0.38674616790632 15.999 > 4 71 O 0.07981432912312 0.28828546670132 0.72007950123965 15.999 > 4 72 O 0.57981432912312 0.28828546670132 0.72007950123965 15.999 > 4 73 O 0.12645491718946 0.03083800208184 0.09687826687899 15.999 > 5 74 O 0.62645491718946 0.03083800208184 0.09687826687899 15.999 > 5 75 O 0.12645491718946 0.03083800208184 0.43021160021233 15.999 > 5 76 O 0.62645491718946 0.03083800208184 0.43021160021233 15.999 > 5 77 O 0.12645491718946 0.03083800208184 0.76354493354566 15.999 > 5 78 O 0.62645491718946 0.03083800208184 0.76354493354566 15.999 > 5 79 O 0.37354508281054 0.03083800208184 0.06978839978767 15.999 > 6 80 O 0.87354508281054 0.03083800208184 0.06978839978767 15.999 > 6 81 O 0.37354508281054 0.03083800208184 0.40312173312101 15.999 > 6 82 O 0.87354508281054 0.03083800208184 0.40312173312101 15.999 > 6 83 O 0.37354508281054 0.03083800208184 0.73645506645434 15.999 > 6 84 O 0.87354508281054 0.03083800208184 0.73645506645434 15.999 > 6 85 O 0.12354508281054 0.46916199791816 0.23645506645434 15.999 > 7 86 O 0.62354508281054 0.46916199791816 0.23645506645434 15.999 > 7 87 O 0.12354508281054 0.46916199791816 0.56978839978767 15.999 > 7 88 O 0.62354508281054 0.46916199791816 0.56978839978767 15.999 > 7 89 O 0.12354508281054 0.46916199791816 0.90312173312101 15.999 > 7 90 O 0.62354508281054 0.46916199791816 0.90312173312101 15.999 > 7 91 O 0.37645491718946 0.46916199791816 0.26354493354566 15.999 > 8 92 O 0.87645491718946 0.46916199791816 0.26354493354566 15.999 > 8 93 O 0.37645491718946 0.46916199791816 0.59687826687899 15.999 > 8 94 O 0.87645491718946 0.46916199791816 0.59687826687899 15.999 > 8 95 O 0.37645491718946 0.46916199791816 0.93021160021233 15.999 > 8 96 O 0.87645491718946 0.46916199791816 0.93021160021233 15.999 > 8 *97 Nb 0.25000000000000 0.89471219849119 0.08333333333333 92.906 > 9 98 Nb 0.75000000000000 0.89471219849119 0.08333333333333 92.906 > 9 99 Nb 0.25000000000000 0.89471219849119 0.41666666666667 92.906 > 9 100 Nb 0.75000000000000 0.89471219849119 0.41666666666667 92.906 > 9 101 Nb 0.25000000000000 0.89471219849119 0.75000000000000 92.906 > 9 102 Nb 0.75000000000000 0.89471219849119 0.75000000000000 92.906 > 9 103 Nb 0.00000000000000 0.60528780150881 0.25000000000000 92.906 > 10 104 Nb 0.50000000000000 0.60528780150881 0.25000000000000 92.906 > 10 105 Nb 0.00000000000000 0.60528780150881 0.58333333333333 92.906 > 10 106 Nb 0.50000000000000 0.60528780150881 0.58333333333333 92.906 > 10 107 Nb 0.00000000000000 0.60528780150881 0.91666666666667 92.906 > 10 108 Nb 0.50000000000000 0.60528780150881 0.91666666666667 92.906 > 10 109 Nb 0.00000000000000 0.39471219849119 0.08333333333333 92.906 > 9 110 Nb 0.50000000000000 0.39471219849119 0.08333333333333 92.906 > 9 111 Nb 0.00000000000000 0.39471219849119 0.41666666666667 92.906 > 9 112 Nb 0.50000000000000 0.39471219849119 0.41666666666667 92.906 > 9 113 Nb 0.00000000000000 0.39471219849119 0.75000000000000 92.906 > 9 114 Nb 0.50000000000000 0.39471219849119 0.75000000000000 92.906 > 9 115 Nb 0.25000000000000 0.10528780150880 0.25000000000000 92.906 > 10 116 Nb 0.75000000000000 0.10528780150880 0.25000000000000 92.906 > 10 117 Nb 0.25000000000000 0.10528780150880 0.58333333333333 92.906 > 10 118 Nb 0.75000000000000 0.10528780150880 0.58333333333333 92.906 > 10 119 Nb 0.25000000000000 0.10528780150880 0.91666666666667 92.906 > 10 120 Nb 0.75000000000000 0.10528780150880 0.91666666666667 92.906 > 10 *121 Tb 0.00000000000000 0.87083676939684 0.08333333333333 158.925 > 11 122 Tb 0.50000000000000 0.87083676939684 0.08333333333333 158.925 > 11 123 Tb 0.00000000000000 0.87083676939684 0.41666666666667 158.925 > 11 124 Tb 0.50000000000000 0.87083676939684 0.41666666666667 158.925 > 11 125 Tb 0.00000000000000 0.87083676939684 0.75000000000000 158.925 > 11 126 Tb 0.50000000000000 0.87083676939684 0.75000000000000 158.925 > 11 127 Tb 0.25000000000000 0.62916323060316 0.25000000000000 158.925 > 12 128 Tb 0.75000000000000 0.62916323060316 0.25000000000000 158.925 > 12 129 Tb 0.25000000000000 0.62916323060316 0.58333333333333 158.925 > 12 130 Tb 0.75000000000000 0.62916323060316 0.58333333333333 158.925 > 12 131 Tb 0.25000000000000 0.62916323060316 0.91666666666667 158.925 > 12 132 Tb 0.75000000000000 0.62916323060316 0.91666666666667 158.925 > 12 133 Tb 0.25000000000000 0.37083676939684 0.08333333333333 158.925 > 11 134 Tb 0.75000000000000 0.37083676939684 0.08333333333333 158.925 > 11 135 Tb 0.25000000000000 0.37083676939684 0.41666666666667 158.925 > 11 136 Tb 0.75000000000000 0.37083676939684 0.41666666666667 158.925 > 11 137 Tb 0.25000000000000 0.37083676939684 0.75000000000000 158.925 > 11 138 Tb 0.75000000000000 0.37083676939684 0.75000000000000 158.925 > 11 139 Tb 0.00000000000000 0.12916323060316 0.25000000000000 158.925 > 12 140 Tb 0.50000000000000 0.12916323060316 0.25000000000000 158.925 > 12 141 Tb 0.00000000000000 0.12916323060316 0.58333333333333 158.925 > 12 142 Tb 0.50000000000000 0.12916323060316 0.58333333333333 158.925 > 12 143 Tb 0.00000000000000 0.12916323060316 0.91666666666667 158.925 > 12 144 Tb 0.50000000000000 0.12916323060316 0.91666666666667 158.925 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2216471 0.0000000 -0.3168860 0.0000000 4.8682631 0.0000000 -0.3168871 0.0000000 5.1264333 -------------------------- Born effective charges -------------------------- 1 O -3.3370240 -0.9986883 0.3774059 -0.9974515 -2.5486223 0.5910171 0.4277396 0.4783821 -1.5272384 2 O -3.3370240 0.9986883 0.3774059 0.9974515 -2.5486223 -0.5910171 0.4277396 -0.4783821 -1.5272384 3 O -3.3370240 -0.9986883 0.3774059 -0.9974515 -2.5486223 0.5910171 0.4277396 0.4783821 -1.5272384 4 O -3.3370240 0.9986883 0.3774059 0.9974515 -2.5486223 -0.5910171 0.4277396 -0.4783821 -1.5272384 5 O -1.8356093 0.1517225 0.0408304 0.0390545 -2.1239512 -0.6291167 0.0053123 -0.6699853 -3.4878234 6 O -1.8356093 -0.1517225 0.0408304 -0.0390545 -2.1239512 0.6291167 0.0053123 0.6699853 -3.4878234 7 O -1.8356093 0.1517225 0.0408304 0.0390545 -2.1239512 -0.6291167 0.0053123 -0.6699853 -3.4878234 8 O -1.8356093 -0.1517225 0.0408304 -0.0390545 -2.1239512 0.6291167 0.0053123 0.6699853 -3.4878234 9 Nb 5.7133870 0.0000000 -0.7249447 0.0000000 5.3647266 0.0000000 -1.3131320 0.0000000 5.5268483 10 Nb 5.7133870 0.0000000 -0.7249447 0.0000000 5.3647266 0.0000000 -1.3131320 0.0000000 5.5268483 11 Tb 4.6318794 0.0000000 -0.1115280 0.0000000 3.9804203 0.0000000 0.4470282 0.0000000 4.5032754 12 Tb 4.6318794 0.0000000 -0.1115280 0.0000000 3.9804203 0.0000000 0.4470282 0.0000000 4.5032754 ---------------------------------------------------------------------------- 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: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.912 Solver_block: 200 / 400 - Time: 0.931 Solver_block: 300 / 400 - Time: 0.881 Solver_block: 400 / 400 - Time: 0.919 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.728 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:09:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:09:45]------------------------- 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 1 3] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.522779650035499 -5.482226524999999 0.000000000000000 b 3.522779650035499 5.482226524999999 0.000000000000000 c -3.364377846940783 0.000000000000000 3.823066403916977 Atomic positions (fractional): 1 O 0.44791412494756 0.87134319154493 0.66023850371895 15.999 2 O 0.12865680845507 0.55208587505244 0.83976149628105 15.999 3 O 0.55208587505244 0.12865680845507 0.33976149628105 15.999 4 O 0.87134319154493 0.44791412494756 0.16023850371895 15.999 5 O 0.22207183229708 0.28374783646075 0.29063480063698 15.999 6 O 0.71625216353925 0.77792816770292 0.20936519936302 15.999 7 O 0.77792816770292 0.71625216353925 0.70936519936302 15.999 8 O 0.28374783646075 0.22207183229708 0.79063480063698 15.999 9 Nb 0.60528780150881 0.39471219849119 0.25000000000000 92.906 10 Nb 0.39471219849119 0.60528780150881 0.75000000000000 92.906 11 Tb 0.12916323060316 0.87083676939684 0.25000000000000 158.925 12 Tb 0.87083676939684 0.12916323060316 0.75000000000000 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.091118600141996 0.000000000000000 0.000000000000000 b 0.000000000000000 10.964453049999998 0.000000000000000 c -10.093133540822349 0.000000000000000 11.469199211750931 Atomic positions (fractional): 1 O 0.07981432912312 0.71171453329868 0.22007950123965 15.999 > 1 2 O 0.57981432912312 0.71171453329868 0.22007950123965 15.999 > 1 3 O 0.07981432912312 0.71171453329868 0.55341283457298 15.999 > 1 4 O 0.57981432912312 0.71171453329868 0.55341283457298 15.999 > 1 5 O 0.07981432912312 0.71171453329868 0.88674616790632 15.999 > 1 6 O 0.57981432912312 0.71171453329868 0.88674616790632 15.999 > 1 7 O 0.42018567087688 0.71171453329868 0.27992049876035 15.999 > 7 8 O 0.92018567087688 0.71171453329868 0.27992049876035 15.999 > 7 9 O 0.42018567087688 0.71171453329868 0.61325383209368 15.999 > 7 10 O 0.92018567087688 0.71171453329868 0.61325383209368 15.999 > 7 11 O 0.42018567087688 0.71171453329868 0.94658716542702 15.999 > 7 12 O 0.92018567087688 0.71171453329868 0.94658716542702 15.999 > 7 13 O 0.17018567087688 0.78828546670132 0.11325383209368 15.999 > 13 14 O 0.67018567087688 0.78828546670132 0.11325383209368 15.999 > 13 15 O 0.17018567087688 0.78828546670132 0.44658716542702 15.999 > 13 16 O 0.67018567087688 0.78828546670132 0.44658716542702 15.999 > 13 17 O 0.17018567087688 0.78828546670132 0.77992049876035 15.999 > 13 18 O 0.67018567087688 0.78828546670132 0.77992049876035 15.999 > 13 19 O 0.32981432912312 0.78828546670132 0.05341283457298 15.999 > 19 20 O 0.82981432912312 0.78828546670132 0.05341283457298 15.999 > 19 21 O 0.32981432912312 0.78828546670132 0.38674616790632 15.999 > 19 22 O 0.82981432912312 0.78828546670132 0.38674616790632 15.999 > 19 23 O 0.32981432912312 0.78828546670132 0.72007950123965 15.999 > 19 24 O 0.82981432912312 0.78828546670132 0.72007950123965 15.999 > 19 25 O 0.37645491718946 0.53083800208184 0.09687826687899 15.999 > 25 26 O 0.87645491718946 0.53083800208184 0.09687826687899 15.999 > 25 27 O 0.37645491718946 0.53083800208184 0.43021160021233 15.999 > 25 28 O 0.87645491718946 0.53083800208184 0.43021160021233 15.999 > 25 29 O 0.37645491718946 0.53083800208184 0.76354493354566 15.999 > 25 30 O 0.87645491718946 0.53083800208184 0.76354493354566 15.999 > 25 31 O 0.12354508281054 0.53083800208184 0.06978839978767 15.999 > 31 32 O 0.62354508281054 0.53083800208184 0.06978839978767 15.999 > 31 33 O 0.12354508281054 0.53083800208184 0.40312173312101 15.999 > 31 34 O 0.62354508281054 0.53083800208184 0.40312173312101 15.999 > 31 35 O 0.12354508281054 0.53083800208184 0.73645506645434 15.999 > 31 36 O 0.62354508281054 0.53083800208184 0.73645506645434 15.999 > 31 37 O 0.37354508281054 0.96916199791816 0.23645506645434 15.999 > 37 38 O 0.87354508281054 0.96916199791816 0.23645506645434 15.999 > 37 39 O 0.37354508281054 0.96916199791816 0.56978839978767 15.999 > 37 40 O 0.87354508281054 0.96916199791816 0.56978839978767 15.999 > 37 41 O 0.37354508281054 0.96916199791816 0.90312173312101 15.999 > 37 42 O 0.87354508281054 0.96916199791816 0.90312173312101 15.999 > 37 43 O 0.12645491718946 0.96916199791816 0.26354493354566 15.999 > 43 44 O 0.62645491718946 0.96916199791816 0.26354493354566 15.999 > 43 45 O 0.12645491718946 0.96916199791816 0.59687826687899 15.999 > 43 46 O 0.62645491718946 0.96916199791816 0.59687826687899 15.999 > 43 47 O 0.12645491718946 0.96916199791816 0.93021160021233 15.999 > 43 48 O 0.62645491718946 0.96916199791816 0.93021160021233 15.999 > 43 49 O 0.32981432912312 0.21171453329868 0.22007950123965 15.999 > 1 50 O 0.82981432912312 0.21171453329868 0.22007950123965 15.999 > 1 51 O 0.32981432912312 0.21171453329868 0.55341283457298 15.999 > 1 52 O 0.82981432912312 0.21171453329868 0.55341283457298 15.999 > 1 53 O 0.32981432912312 0.21171453329868 0.88674616790632 15.999 > 1 54 O 0.82981432912312 0.21171453329868 0.88674616790632 15.999 > 1 55 O 0.17018567087688 0.21171453329868 0.27992049876035 15.999 > 7 56 O 0.67018567087688 0.21171453329868 0.27992049876035 15.999 > 7 57 O 0.17018567087688 0.21171453329868 0.61325383209368 15.999 > 7 58 O 0.67018567087688 0.21171453329868 0.61325383209368 15.999 > 7 59 O 0.17018567087688 0.21171453329868 0.94658716542702 15.999 > 7 60 O 0.67018567087688 0.21171453329868 0.94658716542702 15.999 > 7 61 O 0.42018567087688 0.28828546670132 0.11325383209368 15.999 > 13 62 O 0.92018567087688 0.28828546670132 0.11325383209368 15.999 > 13 63 O 0.42018567087688 0.28828546670132 0.44658716542702 15.999 > 13 64 O 0.92018567087688 0.28828546670132 0.44658716542702 15.999 > 13 65 O 0.42018567087688 0.28828546670132 0.77992049876035 15.999 > 13 66 O 0.92018567087688 0.28828546670132 0.77992049876035 15.999 > 13 67 O 0.07981432912312 0.28828546670132 0.05341283457298 15.999 > 19 68 O 0.57981432912312 0.28828546670132 0.05341283457298 15.999 > 19 69 O 0.07981432912312 0.28828546670132 0.38674616790632 15.999 > 19 70 O 0.57981432912312 0.28828546670132 0.38674616790632 15.999 > 19 71 O 0.07981432912312 0.28828546670132 0.72007950123965 15.999 > 19 72 O 0.57981432912312 0.28828546670132 0.72007950123965 15.999 > 19 73 O 0.12645491718946 0.03083800208184 0.09687826687899 15.999 > 25 74 O 0.62645491718946 0.03083800208184 0.09687826687899 15.999 > 25 75 O 0.12645491718946 0.03083800208184 0.43021160021233 15.999 > 25 76 O 0.62645491718946 0.03083800208184 0.43021160021233 15.999 > 25 77 O 0.12645491718946 0.03083800208184 0.76354493354566 15.999 > 25 78 O 0.62645491718946 0.03083800208184 0.76354493354566 15.999 > 25 79 O 0.37354508281054 0.03083800208184 0.06978839978767 15.999 > 31 80 O 0.87354508281054 0.03083800208184 0.06978839978767 15.999 > 31 81 O 0.37354508281054 0.03083800208184 0.40312173312101 15.999 > 31 82 O 0.87354508281054 0.03083800208184 0.40312173312101 15.999 > 31 83 O 0.37354508281054 0.03083800208184 0.73645506645434 15.999 > 31 84 O 0.87354508281054 0.03083800208184 0.73645506645434 15.999 > 31 85 O 0.12354508281054 0.46916199791816 0.23645506645434 15.999 > 37 86 O 0.62354508281054 0.46916199791816 0.23645506645434 15.999 > 37 87 O 0.12354508281054 0.46916199791816 0.56978839978767 15.999 > 37 88 O 0.62354508281054 0.46916199791816 0.56978839978767 15.999 > 37 89 O 0.12354508281054 0.46916199791816 0.90312173312101 15.999 > 37 90 O 0.62354508281054 0.46916199791816 0.90312173312101 15.999 > 37 91 O 0.37645491718946 0.46916199791816 0.26354493354566 15.999 > 43 92 O 0.87645491718946 0.46916199791816 0.26354493354566 15.999 > 43 93 O 0.37645491718946 0.46916199791816 0.59687826687899 15.999 > 43 94 O 0.87645491718946 0.46916199791816 0.59687826687899 15.999 > 43 95 O 0.37645491718946 0.46916199791816 0.93021160021233 15.999 > 43 96 O 0.87645491718946 0.46916199791816 0.93021160021233 15.999 > 43 97 Nb 0.25000000000000 0.89471219849119 0.08333333333333 92.906 > 97 98 Nb 0.75000000000000 0.89471219849119 0.08333333333333 92.906 > 97 99 Nb 0.25000000000000 0.89471219849119 0.41666666666667 92.906 > 97 100 Nb 0.75000000000000 0.89471219849119 0.41666666666667 92.906 > 97 101 Nb 0.25000000000000 0.89471219849119 0.75000000000000 92.906 > 97 102 Nb 0.75000000000000 0.89471219849119 0.75000000000000 92.906 > 97 103 Nb 0.00000000000000 0.60528780150881 0.25000000000000 92.906 > 103 104 Nb 0.50000000000000 0.60528780150881 0.25000000000000 92.906 > 103 105 Nb 0.00000000000000 0.60528780150881 0.58333333333333 92.906 > 103 106 Nb 0.50000000000000 0.60528780150881 0.58333333333333 92.906 > 103 107 Nb 0.00000000000000 0.60528780150881 0.91666666666667 92.906 > 103 108 Nb 0.50000000000000 0.60528780150881 0.91666666666667 92.906 > 103 109 Nb 0.00000000000000 0.39471219849119 0.08333333333333 92.906 > 97 110 Nb 0.50000000000000 0.39471219849119 0.08333333333333 92.906 > 97 111 Nb 0.00000000000000 0.39471219849119 0.41666666666667 92.906 > 97 112 Nb 0.50000000000000 0.39471219849119 0.41666666666667 92.906 > 97 113 Nb 0.00000000000000 0.39471219849119 0.75000000000000 92.906 > 97 114 Nb 0.50000000000000 0.39471219849119 0.75000000000000 92.906 > 97 115 Nb 0.25000000000000 0.10528780150880 0.25000000000000 92.906 > 103 116 Nb 0.75000000000000 0.10528780150880 0.25000000000000 92.906 > 103 117 Nb 0.25000000000000 0.10528780150880 0.58333333333333 92.906 > 103 118 Nb 0.75000000000000 0.10528780150880 0.58333333333333 92.906 > 103 119 Nb 0.25000000000000 0.10528780150880 0.91666666666667 92.906 > 103 120 Nb 0.75000000000000 0.10528780150880 0.91666666666667 92.906 > 103 121 Tb 0.00000000000000 0.87083676939684 0.08333333333333 158.925 > 121 122 Tb 0.50000000000000 0.87083676939684 0.08333333333333 158.925 > 121 123 Tb 0.00000000000000 0.87083676939684 0.41666666666667 158.925 > 121 124 Tb 0.50000000000000 0.87083676939684 0.41666666666667 158.925 > 121 125 Tb 0.00000000000000 0.87083676939684 0.75000000000000 158.925 > 121 126 Tb 0.50000000000000 0.87083676939684 0.75000000000000 158.925 > 121 127 Tb 0.25000000000000 0.62916323060316 0.25000000000000 158.925 > 127 128 Tb 0.75000000000000 0.62916323060316 0.25000000000000 158.925 > 127 129 Tb 0.25000000000000 0.62916323060316 0.58333333333333 158.925 > 127 130 Tb 0.75000000000000 0.62916323060316 0.58333333333333 158.925 > 127 131 Tb 0.25000000000000 0.62916323060316 0.91666666666667 158.925 > 127 132 Tb 0.75000000000000 0.62916323060316 0.91666666666667 158.925 > 127 133 Tb 0.25000000000000 0.37083676939684 0.08333333333333 158.925 > 121 134 Tb 0.75000000000000 0.37083676939684 0.08333333333333 158.925 > 121 135 Tb 0.25000000000000 0.37083676939684 0.41666666666667 158.925 > 121 136 Tb 0.75000000000000 0.37083676939684 0.41666666666667 158.925 > 121 137 Tb 0.25000000000000 0.37083676939684 0.75000000000000 158.925 > 121 138 Tb 0.75000000000000 0.37083676939684 0.75000000000000 158.925 > 121 139 Tb 0.00000000000000 0.12916323060316 0.25000000000000 158.925 > 127 140 Tb 0.50000000000000 0.12916323060316 0.25000000000000 158.925 > 127 141 Tb 0.00000000000000 0.12916323060316 0.58333333333333 158.925 > 127 142 Tb 0.50000000000000 0.12916323060316 0.58333333333333 158.925 > 127 143 Tb 0.00000000000000 0.12916323060316 0.91666666666667 158.925 > 127 144 Tb 0.50000000000000 0.12916323060316 0.91666666666667 158.925 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2216471 0.0000000 -0.3168860 0.0000000 4.8682631 0.0000000 -0.3168871 0.0000000 5.1264333 -------------------------- Born effective charges -------------------------- 1 O -3.3370240 -0.9986883 0.3774059 -0.9974515 -2.5486223 0.5910171 0.4277396 0.4783821 -1.5272384 2 O -3.3370240 0.9986883 0.3774059 0.9974515 -2.5486223 -0.5910171 0.4277396 -0.4783821 -1.5272384 3 O -3.3370240 -0.9986883 0.3774059 -0.9974515 -2.5486223 0.5910171 0.4277396 0.4783821 -1.5272384 4 O -3.3370240 0.9986883 0.3774059 0.9974515 -2.5486223 -0.5910171 0.4277396 -0.4783821 -1.5272384 5 O -1.8356093 0.1517225 0.0408304 0.0390545 -2.1239512 -0.6291167 0.0053123 -0.6699853 -3.4878234 6 O -1.8356093 -0.1517225 0.0408304 -0.0390545 -2.1239512 0.6291167 0.0053123 0.6699853 -3.4878234 7 O -1.8356093 0.1517225 0.0408304 0.0390545 -2.1239512 -0.6291167 0.0053123 -0.6699853 -3.4878234 8 O -1.8356093 -0.1517225 0.0408304 -0.0390545 -2.1239512 0.6291167 0.0053123 0.6699853 -3.4878234 9 Nb 5.7133870 0.0000000 -0.7249447 0.0000000 5.3647266 0.0000000 -1.3131320 0.0000000 5.5268483 10 Nb 5.7133870 0.0000000 -0.7249447 0.0000000 5.3647266 0.0000000 -1.3131320 0.0000000 5.5268483 11 Tb 4.6318794 0.0000000 -0.1115280 0.0000000 3.9804203 0.0000000 0.4470282 0.0000000 4.5032754 12 Tb 4.6318794 0.0000000 -0.1115280 0.0000000 3.9804203 0.0000000 0.4470282 0.0000000 4.5032754 ---------------------------------------------------------------------------- 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] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] 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] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 121, 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] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) 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 2026-01-08 00:10:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:10:09]------------------------- 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 1 3] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.522779650035499 -5.482226524999999 0.000000000000000 b 3.522779650035499 5.482226524999999 0.000000000000000 c -3.364377846940783 0.000000000000000 3.823066403916977 Atomic positions (fractional): 1 O 0.44791412494756 0.87134319154493 0.66023850371895 15.999 2 O 0.12865680845507 0.55208587505244 0.83976149628105 15.999 3 O 0.55208587505244 0.12865680845507 0.33976149628105 15.999 4 O 0.87134319154493 0.44791412494756 0.16023850371895 15.999 5 O 0.22207183229708 0.28374783646075 0.29063480063698 15.999 6 O 0.71625216353925 0.77792816770292 0.20936519936302 15.999 7 O 0.77792816770292 0.71625216353925 0.70936519936302 15.999 8 O 0.28374783646075 0.22207183229708 0.79063480063698 15.999 9 Nb 0.60528780150881 0.39471219849119 0.25000000000000 92.906 10 Nb 0.39471219849119 0.60528780150881 0.75000000000000 92.906 11 Tb 0.12916323060316 0.87083676939684 0.25000000000000 158.925 12 Tb 0.87083676939684 0.12916323060316 0.75000000000000 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.091118600141996 0.000000000000000 0.000000000000000 b 0.000000000000000 10.964453049999998 0.000000000000000 c -10.093133540822349 0.000000000000000 11.469199211750931 Atomic positions (fractional): 1 O 0.07981432912312 0.71171453329868 0.22007950123965 15.999 > 1 2 O 0.57981432912312 0.71171453329868 0.22007950123965 15.999 > 1 3 O 0.07981432912312 0.71171453329868 0.55341283457298 15.999 > 1 4 O 0.57981432912312 0.71171453329868 0.55341283457298 15.999 > 1 5 O 0.07981432912312 0.71171453329868 0.88674616790632 15.999 > 1 6 O 0.57981432912312 0.71171453329868 0.88674616790632 15.999 > 1 7 O 0.42018567087688 0.71171453329868 0.27992049876035 15.999 > 7 8 O 0.92018567087688 0.71171453329868 0.27992049876035 15.999 > 7 9 O 0.42018567087688 0.71171453329868 0.61325383209368 15.999 > 7 10 O 0.92018567087688 0.71171453329868 0.61325383209368 15.999 > 7 11 O 0.42018567087688 0.71171453329868 0.94658716542702 15.999 > 7 12 O 0.92018567087688 0.71171453329868 0.94658716542702 15.999 > 7 13 O 0.17018567087688 0.78828546670132 0.11325383209368 15.999 > 13 14 O 0.67018567087688 0.78828546670132 0.11325383209368 15.999 > 13 15 O 0.17018567087688 0.78828546670132 0.44658716542702 15.999 > 13 16 O 0.67018567087688 0.78828546670132 0.44658716542702 15.999 > 13 17 O 0.17018567087688 0.78828546670132 0.77992049876035 15.999 > 13 18 O 0.67018567087688 0.78828546670132 0.77992049876035 15.999 > 13 19 O 0.32981432912312 0.78828546670132 0.05341283457298 15.999 > 19 20 O 0.82981432912312 0.78828546670132 0.05341283457298 15.999 > 19 21 O 0.32981432912312 0.78828546670132 0.38674616790632 15.999 > 19 22 O 0.82981432912312 0.78828546670132 0.38674616790632 15.999 > 19 23 O 0.32981432912312 0.78828546670132 0.72007950123965 15.999 > 19 24 O 0.82981432912312 0.78828546670132 0.72007950123965 15.999 > 19 25 O 0.37645491718946 0.53083800208184 0.09687826687899 15.999 > 25 26 O 0.87645491718946 0.53083800208184 0.09687826687899 15.999 > 25 27 O 0.37645491718946 0.53083800208184 0.43021160021233 15.999 > 25 28 O 0.87645491718946 0.53083800208184 0.43021160021233 15.999 > 25 29 O 0.37645491718946 0.53083800208184 0.76354493354566 15.999 > 25 30 O 0.87645491718946 0.53083800208184 0.76354493354566 15.999 > 25 31 O 0.12354508281054 0.53083800208184 0.06978839978767 15.999 > 31 32 O 0.62354508281054 0.53083800208184 0.06978839978767 15.999 > 31 33 O 0.12354508281054 0.53083800208184 0.40312173312101 15.999 > 31 34 O 0.62354508281054 0.53083800208184 0.40312173312101 15.999 > 31 35 O 0.12354508281054 0.53083800208184 0.73645506645434 15.999 > 31 36 O 0.62354508281054 0.53083800208184 0.73645506645434 15.999 > 31 37 O 0.37354508281054 0.96916199791816 0.23645506645434 15.999 > 37 38 O 0.87354508281054 0.96916199791816 0.23645506645434 15.999 > 37 39 O 0.37354508281054 0.96916199791816 0.56978839978767 15.999 > 37 40 O 0.87354508281054 0.96916199791816 0.56978839978767 15.999 > 37 41 O 0.37354508281054 0.96916199791816 0.90312173312101 15.999 > 37 42 O 0.87354508281054 0.96916199791816 0.90312173312101 15.999 > 37 43 O 0.12645491718946 0.96916199791816 0.26354493354566 15.999 > 43 44 O 0.62645491718946 0.96916199791816 0.26354493354566 15.999 > 43 45 O 0.12645491718946 0.96916199791816 0.59687826687899 15.999 > 43 46 O 0.62645491718946 0.96916199791816 0.59687826687899 15.999 > 43 47 O 0.12645491718946 0.96916199791816 0.93021160021233 15.999 > 43 48 O 0.62645491718946 0.96916199791816 0.93021160021233 15.999 > 43 49 O 0.32981432912312 0.21171453329868 0.22007950123965 15.999 > 1 50 O 0.82981432912312 0.21171453329868 0.22007950123965 15.999 > 1 51 O 0.32981432912312 0.21171453329868 0.55341283457298 15.999 > 1 52 O 0.82981432912312 0.21171453329868 0.55341283457298 15.999 > 1 53 O 0.32981432912312 0.21171453329868 0.88674616790632 15.999 > 1 54 O 0.82981432912312 0.21171453329868 0.88674616790632 15.999 > 1 55 O 0.17018567087688 0.21171453329868 0.27992049876035 15.999 > 7 56 O 0.67018567087688 0.21171453329868 0.27992049876035 15.999 > 7 57 O 0.17018567087688 0.21171453329868 0.61325383209368 15.999 > 7 58 O 0.67018567087688 0.21171453329868 0.61325383209368 15.999 > 7 59 O 0.17018567087688 0.21171453329868 0.94658716542702 15.999 > 7 60 O 0.67018567087688 0.21171453329868 0.94658716542702 15.999 > 7 61 O 0.42018567087688 0.28828546670132 0.11325383209368 15.999 > 13 62 O 0.92018567087688 0.28828546670132 0.11325383209368 15.999 > 13 63 O 0.42018567087688 0.28828546670132 0.44658716542702 15.999 > 13 64 O 0.92018567087688 0.28828546670132 0.44658716542702 15.999 > 13 65 O 0.42018567087688 0.28828546670132 0.77992049876035 15.999 > 13 66 O 0.92018567087688 0.28828546670132 0.77992049876035 15.999 > 13 67 O 0.07981432912312 0.28828546670132 0.05341283457298 15.999 > 19 68 O 0.57981432912312 0.28828546670132 0.05341283457298 15.999 > 19 69 O 0.07981432912312 0.28828546670132 0.38674616790632 15.999 > 19 70 O 0.57981432912312 0.28828546670132 0.38674616790632 15.999 > 19 71 O 0.07981432912312 0.28828546670132 0.72007950123965 15.999 > 19 72 O 0.57981432912312 0.28828546670132 0.72007950123965 15.999 > 19 73 O 0.12645491718946 0.03083800208184 0.09687826687899 15.999 > 25 74 O 0.62645491718946 0.03083800208184 0.09687826687899 15.999 > 25 75 O 0.12645491718946 0.03083800208184 0.43021160021233 15.999 > 25 76 O 0.62645491718946 0.03083800208184 0.43021160021233 15.999 > 25 77 O 0.12645491718946 0.03083800208184 0.76354493354566 15.999 > 25 78 O 0.62645491718946 0.03083800208184 0.76354493354566 15.999 > 25 79 O 0.37354508281054 0.03083800208184 0.06978839978767 15.999 > 31 80 O 0.87354508281054 0.03083800208184 0.06978839978767 15.999 > 31 81 O 0.37354508281054 0.03083800208184 0.40312173312101 15.999 > 31 82 O 0.87354508281054 0.03083800208184 0.40312173312101 15.999 > 31 83 O 0.37354508281054 0.03083800208184 0.73645506645434 15.999 > 31 84 O 0.87354508281054 0.03083800208184 0.73645506645434 15.999 > 31 85 O 0.12354508281054 0.46916199791816 0.23645506645434 15.999 > 37 86 O 0.62354508281054 0.46916199791816 0.23645506645434 15.999 > 37 87 O 0.12354508281054 0.46916199791816 0.56978839978767 15.999 > 37 88 O 0.62354508281054 0.46916199791816 0.56978839978767 15.999 > 37 89 O 0.12354508281054 0.46916199791816 0.90312173312101 15.999 > 37 90 O 0.62354508281054 0.46916199791816 0.90312173312101 15.999 > 37 91 O 0.37645491718946 0.46916199791816 0.26354493354566 15.999 > 43 92 O 0.87645491718946 0.46916199791816 0.26354493354566 15.999 > 43 93 O 0.37645491718946 0.46916199791816 0.59687826687899 15.999 > 43 94 O 0.87645491718946 0.46916199791816 0.59687826687899 15.999 > 43 95 O 0.37645491718946 0.46916199791816 0.93021160021233 15.999 > 43 96 O 0.87645491718946 0.46916199791816 0.93021160021233 15.999 > 43 97 Nb 0.25000000000000 0.89471219849119 0.08333333333333 92.906 > 97 98 Nb 0.75000000000000 0.89471219849119 0.08333333333333 92.906 > 97 99 Nb 0.25000000000000 0.89471219849119 0.41666666666667 92.906 > 97 100 Nb 0.75000000000000 0.89471219849119 0.41666666666667 92.906 > 97 101 Nb 0.25000000000000 0.89471219849119 0.75000000000000 92.906 > 97 102 Nb 0.75000000000000 0.89471219849119 0.75000000000000 92.906 > 97 103 Nb 0.00000000000000 0.60528780150881 0.25000000000000 92.906 > 103 104 Nb 0.50000000000000 0.60528780150881 0.25000000000000 92.906 > 103 105 Nb 0.00000000000000 0.60528780150881 0.58333333333333 92.906 > 103 106 Nb 0.50000000000000 0.60528780150881 0.58333333333333 92.906 > 103 107 Nb 0.00000000000000 0.60528780150881 0.91666666666667 92.906 > 103 108 Nb 0.50000000000000 0.60528780150881 0.91666666666667 92.906 > 103 109 Nb 0.00000000000000 0.39471219849119 0.08333333333333 92.906 > 97 110 Nb 0.50000000000000 0.39471219849119 0.08333333333333 92.906 > 97 111 Nb 0.00000000000000 0.39471219849119 0.41666666666667 92.906 > 97 112 Nb 0.50000000000000 0.39471219849119 0.41666666666667 92.906 > 97 113 Nb 0.00000000000000 0.39471219849119 0.75000000000000 92.906 > 97 114 Nb 0.50000000000000 0.39471219849119 0.75000000000000 92.906 > 97 115 Nb 0.25000000000000 0.10528780150880 0.25000000000000 92.906 > 103 116 Nb 0.75000000000000 0.10528780150880 0.25000000000000 92.906 > 103 117 Nb 0.25000000000000 0.10528780150880 0.58333333333333 92.906 > 103 118 Nb 0.75000000000000 0.10528780150880 0.58333333333333 92.906 > 103 119 Nb 0.25000000000000 0.10528780150880 0.91666666666667 92.906 > 103 120 Nb 0.75000000000000 0.10528780150880 0.91666666666667 92.906 > 103 121 Tb 0.00000000000000 0.87083676939684 0.08333333333333 158.925 > 121 122 Tb 0.50000000000000 0.87083676939684 0.08333333333333 158.925 > 121 123 Tb 0.00000000000000 0.87083676939684 0.41666666666667 158.925 > 121 124 Tb 0.50000000000000 0.87083676939684 0.41666666666667 158.925 > 121 125 Tb 0.00000000000000 0.87083676939684 0.75000000000000 158.925 > 121 126 Tb 0.50000000000000 0.87083676939684 0.75000000000000 158.925 > 121 127 Tb 0.25000000000000 0.62916323060316 0.25000000000000 158.925 > 127 128 Tb 0.75000000000000 0.62916323060316 0.25000000000000 158.925 > 127 129 Tb 0.25000000000000 0.62916323060316 0.58333333333333 158.925 > 127 130 Tb 0.75000000000000 0.62916323060316 0.58333333333333 158.925 > 127 131 Tb 0.25000000000000 0.62916323060316 0.91666666666667 158.925 > 127 132 Tb 0.75000000000000 0.62916323060316 0.91666666666667 158.925 > 127 133 Tb 0.25000000000000 0.37083676939684 0.08333333333333 158.925 > 121 134 Tb 0.75000000000000 0.37083676939684 0.08333333333333 158.925 > 121 135 Tb 0.25000000000000 0.37083676939684 0.41666666666667 158.925 > 121 136 Tb 0.75000000000000 0.37083676939684 0.41666666666667 158.925 > 121 137 Tb 0.25000000000000 0.37083676939684 0.75000000000000 158.925 > 121 138 Tb 0.75000000000000 0.37083676939684 0.75000000000000 158.925 > 121 139 Tb 0.00000000000000 0.12916323060316 0.25000000000000 158.925 > 127 140 Tb 0.50000000000000 0.12916323060316 0.25000000000000 158.925 > 127 141 Tb 0.00000000000000 0.12916323060316 0.58333333333333 158.925 > 127 142 Tb 0.50000000000000 0.12916323060316 0.58333333333333 158.925 > 127 143 Tb 0.00000000000000 0.12916323060316 0.91666666666667 158.925 > 127 144 Tb 0.50000000000000 0.12916323060316 0.91666666666667 158.925 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2216471 0.0000000 -0.3168860 0.0000000 4.8682631 0.0000000 -0.3168871 0.0000000 5.1264333 -------------------------- Born effective charges -------------------------- 1 O -3.3370240 -0.9986883 0.3774059 -0.9974515 -2.5486223 0.5910171 0.4277396 0.4783821 -1.5272384 2 O -3.3370240 0.9986883 0.3774059 0.9974515 -2.5486223 -0.5910171 0.4277396 -0.4783821 -1.5272384 3 O -3.3370240 -0.9986883 0.3774059 -0.9974515 -2.5486223 0.5910171 0.4277396 0.4783821 -1.5272384 4 O -3.3370240 0.9986883 0.3774059 0.9974515 -2.5486223 -0.5910171 0.4277396 -0.4783821 -1.5272384 5 O -1.8356093 0.1517225 0.0408304 0.0390545 -2.1239512 -0.6291167 0.0053123 -0.6699853 -3.4878234 6 O -1.8356093 -0.1517225 0.0408304 -0.0390545 -2.1239512 0.6291167 0.0053123 0.6699853 -3.4878234 7 O -1.8356093 0.1517225 0.0408304 0.0390545 -2.1239512 -0.6291167 0.0053123 -0.6699853 -3.4878234 8 O -1.8356093 -0.1517225 0.0408304 -0.0390545 -2.1239512 0.6291167 0.0053123 0.6699853 -3.4878234 9 Nb 5.7133870 0.0000000 -0.7249447 0.0000000 5.3647266 0.0000000 -1.3131320 0.0000000 5.5268483 10 Nb 5.7133870 0.0000000 -0.7249447 0.0000000 5.3647266 0.0000000 -1.3131320 0.0000000 5.5268483 11 Tb 4.6318794 0.0000000 -0.1115280 0.0000000 3.9804203 0.0000000 0.4470282 0.0000000 4.5032754 12 Tb 4.6318794 0.0000000 -0.1115280 0.0000000 3.9804203 0.0000000 0.4470282 0.0000000 4.5032754 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 13 ] 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: 0.79, Number of G-points: 301, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/361) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 3.510 ( 0.000 0.000 0.000) 0.000 3.641 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.663 ( 0.000 0.000 0.000) 0.000 5.119 ( 0.000 0.000 0.000) 0.000 5.462 ( 0.000 0.000 0.000) 0.000 5.513 ( 0.000 0.000 0.000) 0.000 5.777 ( 0.000 0.000 0.000) 0.000 5.958 ( 0.000 0.000 0.000) 0.000 6.628 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 0.000) 0.000 7.189 ( 0.000 0.000 0.000) 0.000 8.330 ( 0.000 0.000 0.000) 0.000 9.453 ( 0.000 0.000 0.000) 0.000 9.602 ( 0.000 0.000 0.000) 0.000 9.789 ( 0.000 0.000 0.000) 0.000 10.009 ( 0.000 0.000 0.000) 0.000 11.037 ( 0.000 0.000 0.000) 0.000 11.277 ( 0.000 0.000 0.000) 0.000 12.243 ( 0.000 0.000 0.000) 0.000 12.790 ( 0.000 0.000 0.000) 0.000 12.859 ( 0.000 0.000 0.000) 0.000 13.603 ( 0.000 0.000 0.000) 0.000 15.805 ( 0.000 0.000 0.000) 0.000 16.955 ( 0.000 0.000 0.000) 0.000 18.703 ( 0.000 0.000 0.000) 0.000 19.472 ( 0.000 0.000 0.000) 0.000 19.635 ( 0.000 0.000 0.000) 0.000 19.853 ( 0.000 0.000 0.000) 0.000 20.863 ( 0.000 0.000 0.000) 0.000 23.010 ( 0.000 0.000 0.000) 0.000 23.796 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/361) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 2.454 -16.924 26.611) 31.632 0.632 ( 15.526 -32.063 9.740) 36.931 1.274 ( 47.126 -12.661 37.317) 61.431 3.539 ( 5.283 3.069 -0.520) 6.132 3.620 ( -1.537 -1.033 -0.609) 1.949 3.818 ( -3.633 3.785 1.835) 5.558 4.591 ( -10.474 2.168 15.316) 18.681 4.683 ( 3.302 0.920 -1.389) 3.699 5.291 ( 2.574 1.745 -6.354) 7.074 5.525 ( 17.523 5.224 -12.811) 22.326 5.694 ( -0.277 6.156 -0.936) 6.233 5.751 ( 0.645 -0.615 -1.011) 1.348 6.398 ( 20.986 43.355 -1.082) 48.179 6.615 ( -1.288 3.880 1.149) 4.247 7.128 ( 9.888 0.148 2.851) 10.291 7.607 ( -10.172 -39.758 -20.758) 45.990 8.399 ( -9.490 -21.033 -5.056) 23.622 9.462 ( 1.380 8.619 5.168) 10.144 9.576 ( -2.188 -6.661 -5.438) 8.873 9.753 ( -1.747 1.922 -1.967) 3.258 10.796 ( 31.850 36.319 -19.838) 52.222 11.208 ( 23.648 -12.064 -17.520) 31.808 11.437 ( -12.888 10.259 31.588) 35.625 12.226 ( -0.167 -0.886 -2.425) 2.587 12.798 ( 1.645 -5.447 -4.458) 7.229 13.193 ( -9.999 -42.284 -17.824) 46.964 13.571 ( -2.861 -0.082 -1.904) 3.437 15.706 ( -6.984 0.152 -9.902) 12.118 18.026 ( -40.703 45.056 82.890) 102.750 18.981 ( -34.360 -31.073 13.056) 48.131 19.400 ( -8.610 -0.953 -2.335) 8.972 19.853 ( -3.239 -3.205 0.288) 4.566 20.906 ( 4.513 1.216 3.225) 5.679 22.507 ( 52.684 51.203 -18.003) 75.640 23.565 ( 3.285 -43.712 -38.856) 58.578 23.818 ( 2.174 -0.587 -0.122) 2.255 ======================= Grid point 2 (3/361) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 3.338 -17.862 26.011) 31.729 1.270 ( 16.827 -28.189 11.582) 34.813 2.474 ( 43.329 -11.126 33.443) 55.853 3.551 ( 3.393 5.533 -1.661) 6.700 3.597 ( -1.373 2.935 -1.104) 3.423 3.799 ( 0.892 3.304 6.080) 6.977 4.604 ( -6.056 1.633 11.079) 12.731 4.683 ( 3.309 3.609 -3.924) 6.275 5.289 ( 6.250 2.392 -5.127) 8.431 5.540 ( 8.064 4.251 -7.182) 11.605 5.570 ( 0.122 3.936 -6.349) 7.471 5.781 ( -3.578 -2.316 4.776) 6.401 6.309 ( 10.472 17.852 -2.218) 20.815 6.555 ( -3.572 2.977 0.526) 4.679 7.251 ( 5.446 2.627 -3.499) 6.986 7.585 ( -0.359 -17.747 -10.111) 20.428 8.417 ( -9.315 -16.704 1.996) 19.230 9.421 ( -1.834 11.610 2.572) 12.032 9.571 ( -2.592 -7.793 -0.350) 8.221 9.687 ( 2.187 2.945 -2.761) 4.591 10.693 ( 10.774 17.953 -5.774) 21.720 11.435 ( 15.163 -11.289 -8.928) 20.906 11.562 ( -8.134 1.333 19.559) 21.225 12.215 ( 2.037 -1.328 -2.504) 3.490 12.830 ( 2.894 -12.327 -8.655) 15.338 13.232 ( -3.092 -8.993 2.355) 9.797 13.473 ( -5.809 1.072 -3.490) 6.862 15.398 ( -10.922 3.732 -14.866) 18.821 18.081 ( -17.136 19.108 37.799) 45.689 18.930 ( -4.612 -4.781 -3.224) 7.384 19.214 ( -16.527 -5.210 -1.200) 17.370 19.793 ( -6.541 -1.692 -3.042) 7.410 21.057 ( 7.313 -0.179 7.580) 10.534 22.573 ( 27.538 21.484 -10.145) 36.370 23.527 ( -0.247 -21.004 -17.178) 27.135 23.849 ( 0.760 0.884 1.620) 1.996 ======================= Grid point 3 (4/361) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 4.688 -17.182 21.807) 28.156 1.911 ( 17.185 -22.794 15.097) 32.292 3.410 ( 8.957 4.142 4.554) 10.869 3.518 ( 15.266 0.582 1.886) 15.393 3.588 ( 8.970 0.606 18.421) 20.498 3.864 ( 3.265 5.500 1.270) 6.521 4.626 ( 7.904 4.932 -7.664) 12.063 4.720 ( -0.914 -4.539 11.726) 12.607 5.211 ( 2.432 1.796 -13.429) 13.765 5.415 ( -2.604 1.928 -6.199) 6.995 5.564 ( -2.450 8.869 6.104) 11.042 5.843 ( 0.018 -3.373 7.676) 8.384 6.331 ( 8.271 3.116 -1.674) 8.996 6.488 ( -1.273 4.037 -0.356) 4.248 7.132 ( -3.007 3.724 -10.709) 11.730 7.680 ( 9.147 -8.880 -5.313) 13.811 8.460 ( -12.661 -15.617 4.075) 20.514 9.280 ( -3.228 12.892 0.161) 13.291 9.555 ( -4.206 -0.449 -0.125) 4.231 9.803 ( 11.364 -3.391 4.975) 12.861 10.627 ( 3.067 4.451 -3.702) 6.551 11.496 ( -4.884 7.403 2.478) 9.208 11.739 ( 6.916 -12.426 2.470) 14.434 12.248 ( 4.080 -1.160 -1.357) 4.453 12.876 ( 0.655 -15.093 -8.677) 17.422 13.290 ( -6.281 5.088 -4.607) 9.304 13.369 ( 1.097 -1.684 12.415) 12.577 14.988 ( -12.144 4.691 -17.313) 21.662 18.112 ( -9.279 9.492 17.110) 21.655 18.856 ( 6.793 10.274 -6.204) 13.791 19.058 ( -17.571 -12.236 3.606) 21.713 19.630 ( -7.739 0.639 -6.593) 10.187 21.265 ( 5.919 -0.666 8.242) 10.169 22.633 ( 16.948 10.167 -7.775) 21.238 23.524 ( 1.228 -13.559 -9.488) 16.595 23.857 ( -1.701 2.414 2.926) 4.157 ======================= Grid point 4 (5/361) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 3.872 -11.767 12.978) 17.941 2.537 ( 15.439 -17.358 17.650) 29.175 3.317 ( -2.065 5.792 -3.202) 6.932 3.469 ( -2.717 4.957 -1.867) 5.953 3.753 ( -1.539 10.483 -7.060) 12.732 4.255 ( 19.782 -2.557 15.445) 25.228 4.679 ( 12.874 0.541 -4.426) 13.624 4.913 ( 0.986 -5.141 9.167) 10.556 5.068 ( 1.338 -1.756 -9.831) 10.076 5.287 ( -3.483 2.906 -3.243) 5.577 5.486 ( -10.093 5.586 7.672) 13.854 6.008 ( 5.877 0.340 7.977) 9.914 6.381 ( -5.350 -9.835 -3.008) 11.593 6.445 ( 7.234 9.737 -0.962) 12.168 6.902 ( -4.223 3.536 -9.516) 10.995 7.872 ( 15.469 -5.080 -1.950) 16.399 8.393 ( -18.342 -9.451 1.190) 20.668 9.147 ( -0.319 9.397 0.279) 9.406 9.495 ( -2.674 0.634 -0.678) 2.830 10.097 ( 12.032 0.139 7.814) 14.347 10.644 ( 2.167 -10.583 -0.873) 10.838 11.273 ( -11.076 13.706 -2.953) 17.867 11.986 ( 8.822 -10.000 0.934) 13.368 12.300 ( 3.174 -0.569 -0.522) 3.267 12.893 ( -4.579 -9.602 -2.861) 11.016 13.071 ( -4.855 6.825 -5.332) 9.929 13.637 ( 6.893 -3.123 14.922) 16.731 14.563 ( -10.770 4.616 -16.505) 20.242 18.072 ( -4.335 4.530 3.531) 7.196 18.821 ( 3.408 7.097 2.095) 8.147 19.010 ( -7.124 -6.303 1.900) 9.700 19.434 ( -5.867 0.244 -6.814) 8.995 21.411 ( 2.543 0.172 4.745) 5.386 22.674 ( 8.524 3.858 -4.418) 10.347 23.568 ( 2.931 -8.592 -4.995) 10.362 23.832 ( -3.052 3.169 2.845) 5.239 ======================= Grid point 5 (6/361) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 0.000 -0.000 0.000) 0.000 3.016 ( -0.000 0.000 -0.000) 0.000 3.123 ( 0.000 -0.000 0.000) 0.000 3.392 ( 0.000 -0.000 0.000) 0.000 3.613 ( 0.000 -0.000 0.000) 0.000 4.500 ( 0.000 -0.000 0.000) 0.000 4.743 ( 0.000 -0.000 0.000) 0.000 5.019 ( -0.000 -0.000 0.000) 0.000 5.060 ( 0.000 -0.000 -0.000) 0.000 5.221 ( 0.000 -0.000 -0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 6.144 ( 0.000 -0.000 0.000) 0.000 6.308 ( 0.000 -0.000 0.000) 0.000 6.465 ( 0.000 -0.000 0.000) 0.000 6.785 ( 0.000 -0.000 0.000) 0.000 8.104 ( -0.000 -0.000 0.000) 0.000 8.200 ( 0.000 -0.000 0.000) 0.000 9.108 ( 0.000 -0.000 0.000) 0.000 9.467 ( 0.000 -0.000 0.000) 0.000 10.231 ( 0.000 0.000 0.000) 0.000 10.886 ( -0.000 0.000 0.000) 0.000 10.930 ( 0.000 -0.000 0.000) 0.000 12.123 ( 0.000 -0.000 0.000) 0.000 12.324 ( 0.000 -0.000 0.000) 0.000 12.855 ( 0.000 -0.000 0.000) 0.000 12.978 ( 0.000 0.000 0.000) 0.000 13.870 ( 0.000 -0.000 0.000) 0.000 14.289 ( 0.000 -0.000 0.000) 0.000 18.036 ( 0.000 -0.000 0.000) 0.000 18.839 ( -0.000 -0.000 0.000) 0.000 19.001 ( 0.000 0.000 0.000) 0.000 19.338 ( 0.000 -0.000 0.000) 0.000 21.456 ( 0.000 -0.000 0.000) 0.000 22.690 ( 0.000 -0.000 0.000) 0.000 23.607 ( 0.000 -0.000 0.000) 0.000 23.805 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/361) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 1.801 0.000 33.182) 33.231 0.946 ( 23.286 0.000 15.217) 27.817 2.379 ( 46.708 0.000 35.766) 58.829 3.601 ( -0.659 -0.000 2.208) 2.304 3.623 ( 6.514 0.000 -4.816) 8.101 3.833 ( -2.027 -0.000 6.286) 6.604 4.612 ( -10.456 -0.000 10.933) 15.128 4.723 ( 3.797 0.000 -2.547) 4.572 5.313 ( 6.984 0.000 -5.918) 9.154 5.583 ( 11.239 0.000 -8.153) 13.884 5.589 ( -3.757 -0.000 -8.597) 9.382 5.770 ( -2.874 -0.000 4.005) 4.930 6.423 ( -9.143 -0.000 -2.309) 9.430 6.836 ( 10.316 0.000 -12.766) 16.413 7.196 ( -0.144 -0.000 -1.715) 1.721 7.292 ( 8.700 0.000 -0.094) 8.700 8.250 ( -7.872 -0.000 5.708) 9.724 9.429 ( -3.961 -0.000 -4.065) 5.676 9.591 ( 1.198 0.000 4.721) 4.871 9.719 ( 1.977 0.000 -3.938) 4.407 10.931 ( -4.854 -0.000 -3.672) 6.087 11.259 ( 30.636 0.000 -20.241) 36.719 11.672 ( -9.095 -0.000 21.284) 23.146 12.194 ( 2.126 0.000 -2.327) 3.152 12.625 ( 2.154 0.000 -10.968) 11.178 13.140 ( 2.665 0.000 11.798) 12.095 13.490 ( -4.715 -0.000 -3.247) 5.725 15.430 ( -11.624 -0.000 -14.203) 18.353 18.324 ( -41.776 -0.000 45.230) 61.571 18.809 ( 9.269 0.000 -2.899) 9.712 19.192 ( -11.602 -0.000 -6.698) 13.396 19.777 ( -5.728 -0.000 -0.790) 5.782 21.061 ( 4.898 0.000 9.895) 11.041 22.987 ( 26.092 0.000 -37.737) 45.878 23.117 ( 4.414 0.000 1.933) 4.819 23.858 ( 1.437 0.000 1.948) 2.420 ======================= Grid point 13 (8/361) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 3.970 -6.292 30.803) 31.689 1.551 ( 22.646 -13.081 17.327) 31.372 3.407 ( 39.307 -1.116 22.620) 45.364 3.586 ( 0.380 3.862 -3.957) 5.543 3.638 ( 0.042 2.233 8.386) 8.678 3.914 ( 2.923 0.607 3.367) 4.500 4.642 ( -2.651 -2.760 9.006) 9.785 4.704 ( 3.505 2.793 -6.277) 7.713 5.225 ( 4.993 0.085 -20.129) 20.739 5.425 ( -3.645 -0.136 -8.161) 8.939 5.689 ( -1.796 3.870 5.147) 6.686 5.797 ( 1.503 -1.342 10.120) 10.318 6.286 ( -8.185 -2.736 -0.338) 8.637 6.745 ( 7.678 16.784 -3.999) 18.885 7.171 ( -1.193 -0.926 -9.001) 9.126 7.435 ( 6.300 -13.987 -2.796) 15.593 8.238 ( -11.368 -6.556 7.718) 15.224 9.347 ( -5.998 -1.907 -1.098) 6.389 9.619 ( -0.405 5.017 2.826) 5.773 9.775 ( 12.015 -0.227 0.239) 12.019 10.758 ( -5.001 5.613 -5.818) 9.506 11.500 ( 22.412 -5.795 -8.150) 24.542 11.748 ( -9.559 10.888 19.007) 23.900 12.230 ( 4.396 -0.792 -0.807) 4.539 12.571 ( 0.963 -14.419 -11.776) 18.642 13.343 ( 3.420 -0.737 12.954) 13.418 13.355 ( -6.568 1.735 -4.087) 7.928 15.040 ( -13.491 1.275 -17.512) 22.143 18.267 ( -18.627 6.070 20.298) 28.211 18.860 ( -10.527 -7.515 -3.210) 13.326 19.001 ( 8.458 4.590 -6.310) 11.507 19.647 ( -7.885 0.790 -4.125) 8.934 21.276 ( 4.131 0.951 13.593) 14.239 22.822 ( 15.437 9.261 -21.231) 27.835 23.270 ( 4.451 -11.783 -3.144) 12.982 23.892 ( -0.728 1.145 3.268) 3.539 ======================= Grid point 14 (9/361) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 6.154 -5.982 23.658) 25.166 2.217 ( 19.485 -15.760 18.960) 31.425 3.439 ( -4.276 6.566 -4.095) 8.841 3.563 ( -1.707 5.050 -2.458) 5.870 3.905 ( -1.613 4.930 -4.511) 6.874 4.232 ( 24.315 0.048 17.495) 29.955 4.678 ( 11.258 -0.662 -7.733) 13.674 4.810 ( 3.997 -4.957 6.999) 9.462 5.024 ( -0.659 -2.372 -15.150) 15.348 5.290 ( -3.262 -1.251 -7.194) 7.997 5.597 ( -14.848 4.909 10.257) 18.702 6.022 ( 7.730 0.914 9.416) 12.217 6.232 ( -6.050 -6.057 0.165) 8.563 6.660 ( 3.509 12.785 -1.321) 13.324 6.987 ( -3.219 5.766 -8.897) 11.080 7.661 ( 9.863 -17.684 -1.839) 20.332 8.202 ( -15.067 -7.943 4.895) 17.722 9.247 ( -6.068 1.155 -1.187) 6.290 9.577 ( -0.623 6.968 1.273) 7.111 10.072 ( 18.525 -2.073 7.220) 19.990 10.578 ( -4.471 0.532 -5.770) 7.318 11.597 ( -2.304 20.613 1.595) 20.802 11.825 ( 11.293 -6.232 4.626) 13.703 12.289 ( 2.818 -0.570 0.423) 2.906 12.625 ( -0.476 -18.878 -5.372) 19.634 13.171 ( -7.048 4.044 -4.719) 9.397 13.591 ( 5.845 -1.859 14.267) 15.530 14.617 ( -12.599 1.501 -17.433) 21.562 18.179 ( -7.569 6.831 4.695) 11.225 18.704 ( -15.350 -11.581 0.059) 19.229 19.094 ( 16.192 7.549 -3.981) 18.304 19.456 ( -7.226 1.467 -5.813) 9.389 21.460 ( 1.007 4.093 12.372) 13.070 22.721 ( 9.105 1.395 -15.608) 18.123 23.395 ( 5.035 -8.647 -1.873) 10.180 23.895 ( -2.883 2.894 4.183) 5.847 ======================= Grid point 15 (10/361) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 5.348 0.640 12.442) 13.558 2.828 ( 14.129 -13.516 17.205) 26.044 3.216 ( -9.534 5.380 -8.682) 13.972 3.435 ( -4.027 4.038 -2.434) 6.201 3.696 ( -5.435 6.965 -7.251) 11.429 4.476 ( 3.361 -1.623 -6.029) 7.091 4.798 ( 4.266 5.303 -2.446) 7.232 4.911 ( 12.394 -10.305 -11.228) 19.644 5.027 ( -3.778 -3.162 9.980) 11.129 5.179 ( -1.764 -2.923 -6.856) 7.659 5.480 ( -11.523 4.758 9.821) 15.871 6.136 ( -2.234 -0.788 -3.590) 4.301 6.242 ( 1.029 -4.020 4.066) 5.809 6.592 ( 0.200 10.053 4.500) 11.016 6.827 ( -0.766 4.746 -2.243) 5.305 7.982 ( 6.286 -19.830 2.253) 20.924 8.083 ( -9.116 -2.538 1.035) 9.519 9.138 ( -5.059 2.209 -0.993) 5.609 9.524 ( -0.126 4.984 0.567) 5.018 10.267 ( 0.227 3.788 -4.058) 5.555 10.666 ( 14.501 -10.048 6.672) 18.861 11.309 ( -5.650 26.287 -0.836) 26.900 12.094 ( 10.653 -2.672 2.839) 11.344 12.321 ( -0.322 -0.370 0.973) 1.089 12.735 ( -1.642 -13.028 1.722) 13.243 13.005 ( -2.564 2.597 -3.683) 5.185 13.855 ( 4.828 -1.470 5.903) 7.767 14.276 ( -7.095 -1.247 -7.307) 10.261 18.072 ( -2.302 3.965 -1.277) 4.759 18.639 ( -12.104 -13.833 0.378) 18.385 19.155 ( 11.658 9.211 -7.323) 16.564 19.357 ( 2.560 1.501 0.824) 3.079 21.524 ( -2.133 6.885 7.485) 10.391 22.653 ( 1.863 -3.936 -10.171) 11.064 23.525 ( 5.164 -6.335 -0.400) 8.183 23.868 ( -3.289 4.504 4.303) 7.044 ======================= Grid point 16 (11/361) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 1.051 12.363 -3.103) 12.790 2.801 ( -14.859 11.015 -13.577) 22.945 3.234 ( 2.592 -4.344 6.049) 7.886 3.386 ( 1.055 -3.915 1.332) 4.267 3.583 ( -1.778 -6.490 1.830) 6.974 4.307 ( -12.460 2.080 -11.357) 16.987 4.683 ( -10.035 2.195 -3.128) 10.738 4.945 ( 4.940 -3.114 -15.521) 16.583 5.069 ( -7.071 -1.896 9.510) 12.001 5.167 ( 3.078 -7.497 -2.731) 8.552 5.454 ( 1.207 1.425 0.641) 1.975 6.014 ( -3.364 0.992 -5.558) 6.572 6.301 ( -7.176 -6.319 1.618) 9.698 6.579 ( 1.803 11.329 5.011) 12.518 6.864 ( 3.981 -0.508 7.774) 8.749 7.886 ( -15.726 -2.574 2.605) 16.147 8.383 ( 16.639 -11.586 1.822) 20.357 9.041 ( -4.962 -0.038 -1.203) 5.106 9.508 ( 0.396 0.457 0.607) 0.857 10.093 ( -6.689 1.233 -9.733) 11.874 10.997 ( -2.726 26.796 0.766) 26.945 11.086 ( 16.902 -7.576 6.759) 19.717 12.159 ( -1.734 8.251 1.034) 8.495 12.309 ( -3.293 0.339 1.359) 3.578 12.907 ( 4.742 -10.444 5.987) 12.938 12.991 ( 4.220 0.741 1.159) 4.438 13.698 ( -7.179 3.314 -15.670) 17.552 14.448 ( 8.192 -7.736 15.436) 19.111 18.020 ( 1.107 -1.188 -4.894) 5.156 18.601 ( -9.217 -13.027 -0.462) 15.965 19.162 ( 13.348 6.665 -5.831) 16.018 19.466 ( 8.478 3.590 5.157) 10.552 21.472 ( -4.381 6.866 1.861) 8.354 22.576 ( -6.723 -7.012 -5.178) 11.008 23.633 ( 2.776 -1.897 2.390) 4.125 23.840 ( -0.711 4.488 2.861) 5.369 ======================= Grid point 17 (12/361) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -2.864 20.365 -16.080) 26.105 2.290 ( -16.212 17.386 -10.585) 26.022 3.297 ( -0.465 -6.061 1.628) 6.293 3.454 ( -0.533 -5.404 -0.161) 5.432 3.693 ( -10.229 -3.832 -9.945) 14.772 3.766 ( -16.718 8.657 -9.309) 21.003 4.534 ( -10.859 -5.093 4.074) 12.667 4.769 ( 0.486 0.087 -17.156) 17.163 5.148 ( -5.408 -5.466 10.827) 13.280 5.304 ( 4.524 -10.239 0.111) 11.194 5.454 ( 0.088 -1.685 -2.793) 3.263 5.909 ( 1.357 3.669 -5.250) 6.547 6.195 ( -16.029 -6.887 -0.249) 17.448 6.571 ( 2.625 7.287 2.931) 8.282 7.069 ( 4.579 -2.547 9.394) 10.757 7.762 ( -9.055 1.477 6.058) 10.994 8.670 ( 12.579 1.753 0.384) 12.706 9.000 ( -2.660 -11.563 -2.656) 12.159 9.540 ( 0.098 -3.573 1.446) 3.855 9.854 ( -6.550 1.913 -8.900) 11.215 10.767 ( -2.389 21.044 2.423) 21.317 11.400 ( 12.764 -3.392 0.505) 13.216 11.991 ( -6.139 13.758 -0.029) 15.066 12.269 ( -4.261 1.050 2.363) 4.985 13.047 ( -0.762 0.684 6.303) 6.385 13.194 ( 8.395 -2.819 5.890) 10.635 13.396 ( -0.947 1.122 -13.078) 13.160 14.863 ( 10.184 -8.824 16.429) 21.248 17.950 ( 1.058 -7.852 -17.030) 18.782 18.667 ( -1.615 -9.503 8.368) 12.765 19.256 ( 18.790 8.602 -5.602) 21.411 19.641 ( 8.791 2.094 7.110) 11.499 21.322 ( -7.529 5.817 -3.114) 10.011 22.453 ( -15.751 -9.904 -1.584) 18.674 23.707 ( 0.981 4.288 7.950) 9.086 23.838 ( 2.120 2.529 -0.138) 3.303 ======================= Grid point 18 (13/361) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -3.348 23.506 -19.934) 31.002 1.761 ( -16.133 22.974 -8.656) 29.376 2.809 ( -33.077 25.323 -24.105) 48.129 3.408 ( -2.834 -9.572 3.577) 10.604 3.510 ( 4.292 -6.643 -3.484) 8.642 3.732 ( -2.842 -3.618 -3.679) 5.890 4.519 ( -3.996 -7.233 -2.869) 8.747 4.631 ( 0.270 -2.317 -4.001) 4.632 5.222 ( -7.828 -5.903 5.656) 11.319 5.408 ( -6.793 -8.812 1.992) 11.303 5.470 ( 0.608 -6.590 1.993) 6.912 5.852 ( 3.090 4.673 -4.947) 7.474 6.027 ( -13.994 -10.457 -1.395) 17.525 6.597 ( 3.581 3.817 2.046) 5.619 7.200 ( -2.623 -2.329 3.593) 5.021 7.771 ( 0.513 5.054 10.202) 11.397 8.721 ( 5.372 13.291 3.707) 14.807 9.103 ( 2.373 -20.388 -8.100) 22.067 9.607 ( -0.557 -5.994 2.223) 6.417 9.706 ( -2.109 1.755 -0.825) 2.865 10.574 ( -7.631 11.232 0.381) 13.584 11.504 ( 6.298 2.418 -6.344) 9.260 11.769 ( -5.518 15.359 -0.331) 16.323 12.239 ( -2.731 1.290 2.771) 4.099 12.972 ( -6.625 5.064 -2.988) 8.858 13.286 ( 3.037 -5.017 4.145) 7.181 13.525 ( 13.193 5.713 9.055) 16.991 15.283 ( 9.208 -9.090 14.766) 19.633 17.764 ( 0.702 -14.383 -30.692) 33.902 18.916 ( 8.640 -3.530 12.079) 15.265 19.383 ( 20.911 10.489 -5.553) 24.044 19.834 ( 8.595 2.623 6.118) 10.871 21.090 ( -10.591 3.837 -4.847) 12.263 22.259 ( -25.837 -13.832 -0.211) 29.307 23.808 ( 1.916 6.248 12.837) 14.405 23.839 ( 2.751 3.933 -0.229) 4.805 ======================= Grid point 19 (14/361) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -2.201 26.291 -15.682) 30.692 1.163 ( -20.542 22.374 -14.602) 33.701 1.799 ( -24.450 42.211 -17.468) 51.814 3.441 ( -4.246 -7.499 -0.252) 8.621 3.627 ( 2.688 -2.426 1.781) 4.035 3.700 ( 1.141 -6.719 -3.222) 7.539 4.516 ( 8.384 -5.843 -11.129) 15.109 4.643 ( -5.319 -3.294 4.944) 7.974 5.207 ( -10.380 -8.244 3.436) 13.693 5.378 ( -15.072 -7.424 7.868) 18.552 5.544 ( -3.114 -9.322 -3.321) 10.374 5.755 ( -4.072 -0.784 -1.980) 4.595 5.990 ( -1.360 -6.749 -4.039) 7.982 6.639 ( 3.087 2.327 0.919) 3.973 7.132 ( -7.314 0.807 -1.441) 7.498 7.915 ( 7.007 6.030 10.061) 13.663 8.795 ( 10.292 14.321 14.735) 22.982 9.194 ( 1.322 -18.891 -9.144) 21.030 9.660 ( -0.253 -3.381 1.245) 3.611 9.739 ( -0.365 -2.358 4.459) 5.057 10.324 ( -19.274 -0.991 -4.518) 19.822 11.390 ( -0.187 9.313 -8.823) 12.830 11.559 ( -2.745 15.059 -1.137) 15.349 12.238 ( -0.788 0.552 2.009) 2.227 12.831 ( -3.134 0.980 -2.955) 4.418 13.458 ( 3.075 -5.221 5.907) 8.462 13.813 ( 15.643 14.550 23.315) 31.622 15.645 ( 6.548 -7.664 13.071) 16.507 17.446 ( 0.695 -18.575 -48.258) 51.714 19.245 ( 18.928 2.045 7.239) 20.368 19.514 ( 21.470 10.662 -6.043) 24.722 19.949 ( 5.388 6.720 1.804) 8.801 20.888 ( -8.554 -0.158 -0.526) 8.572 21.942 ( -39.421 -17.086 -0.426) 42.966 23.819 ( 0.097 0.613 -1.310) 1.449 24.003 ( 6.362 10.365 20.166) 23.550 ======================= Grid point 20 (15/361) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 0.000 27.755 0.000) 27.755 0.553 ( 0.000 29.891 0.000) 29.891 1.049 ( 0.000 56.520 0.000) 56.520 3.462 ( -0.000 -5.238 -0.000) 5.238 3.649 ( 0.000 0.806 0.000) 0.806 3.782 ( -0.000 -7.916 -0.000) 7.916 4.538 ( -0.000 -1.938 -0.000) 1.938 4.697 ( -0.000 -4.538 -0.000) 4.538 5.089 ( -0.000 -3.570 -0.000) 3.570 5.433 ( -0.000 -3.301 -0.000) 3.301 5.461 ( -0.000 -5.417 -0.000) 5.417 5.751 ( -0.000 -2.737 -0.000) 2.737 5.960 ( 0.000 0.419 0.000) 0.419 6.650 ( 0.000 1.963 0.000) 1.963 7.038 ( 0.000 1.879 0.000) 1.879 8.026 ( 0.000 2.031 0.000) 2.031 9.141 ( -0.000 -2.446 -0.000) 2.446 9.294 ( -0.000 -15.856 -0.000) 15.856 9.684 ( 0.000 1.877 0.000) 1.877 9.826 ( -0.000 -16.659 -0.000) 16.659 9.888 ( 0.000 16.799 0.000) 16.799 11.192 ( 0.000 13.729 0.000) 13.729 11.403 ( 0.000 12.471 0.000) 12.471 12.244 ( 0.000 0.120 0.000) 0.120 12.789 ( -0.000 -0.123 -0.000) 0.123 13.563 ( -0.000 -4.420 -0.000) 4.420 14.242 ( -0.000 -2.688 -0.000) 2.688 15.939 ( -0.000 -9.845 -0.000) 9.845 16.968 ( 0.000 1.339 0.000) 1.339 19.460 ( -0.000 -0.990 -0.000) 0.990 19.675 ( 0.000 3.972 0.000) 3.972 19.919 ( 0.000 6.918 0.000) 6.918 20.853 ( -0.000 -1.086 -0.000) 1.086 21.542 ( -0.000 -2.387 -0.000) 2.387 23.803 ( 0.000 0.692 0.000) 0.692 24.233 ( -0.000 -0.429 -0.000) 0.429 ======================= Grid point 23 (16/361) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 4.296 0.000 31.225) 31.519 2.051 ( 24.466 0.000 16.789) 29.672 3.508 ( -5.877 -0.000 -4.680) 7.512 3.620 ( 0.099 0.000 -3.246) 3.248 3.937 ( -1.764 -0.000 -2.555) 3.105 4.239 ( 28.279 0.000 18.199) 33.629 4.670 ( 3.226 0.000 -7.077) 7.777 4.759 ( 4.396 0.000 9.088) 10.095 5.001 ( 4.942 0.000 -23.298) 23.817 5.273 ( -4.728 -0.000 -6.425) 7.977 5.643 ( -15.754 -0.000 10.009) 18.665 6.032 ( 8.257 0.000 9.543) 12.619 6.174 ( -6.264 -0.000 1.595) 6.464 6.807 ( -0.969 -0.000 -4.998) 5.091 7.097 ( -0.622 -0.000 -4.312) 4.356 7.398 ( 5.959 0.000 -1.063) 6.053 8.132 ( -11.411 -0.000 5.212) 12.545 9.248 ( -6.474 -0.000 0.389) 6.485 9.655 ( -1.626 -0.000 1.065) 1.944 10.050 ( 21.238 0.000 5.899) 22.042 10.590 ( -7.740 -0.000 -7.738) 10.945 11.735 ( 21.544 0.000 -1.713) 21.612 11.926 ( -9.463 -0.000 19.627) 21.789 12.278 ( -0.706 -0.000 0.150) 0.722 12.350 ( 5.807 0.000 -13.890) 15.055 13.210 ( -7.334 -0.000 -4.425) 8.566 13.573 ( 5.263 0.000 14.062) 15.015 14.629 ( -13.217 -0.000 -17.814) 22.182 18.269 ( -10.021 -0.000 8.567) 13.184 18.566 ( -12.937 -0.000 -5.806) 14.180 19.168 ( 17.057 0.000 -4.413) 17.619 19.471 ( -8.135 -0.000 -5.948) 10.078 21.508 ( 0.271 0.000 16.501) 16.503 22.732 ( 9.013 0.000 -22.783) 24.500 23.307 ( 6.162 0.000 1.447) 6.329 23.923 ( -2.673 -0.000 4.425) 5.170 ======================= Grid point 24 (17/361) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 5.641 1.246 22.483) 23.214 2.620 ( 20.123 -7.305 16.493) 27.024 3.294 ( -11.298 2.600 -7.993) 14.081 3.513 ( -4.927 3.349 -4.859) 7.688 3.786 ( -9.109 1.962 -7.231) 11.795 4.488 ( 5.433 3.211 -13.347) 14.764 4.709 ( 7.254 -9.326 -8.436) 14.518 4.901 ( 13.673 4.237 -4.234) 14.927 4.971 ( -1.426 -2.142 10.655) 10.962 5.127 ( -5.033 -2.407 -6.777) 8.778 5.543 ( -14.584 1.800 11.084) 18.406 6.122 ( -2.768 -0.477 -1.682) 3.274 6.194 ( 2.228 -1.302 2.205) 3.394 6.736 ( -2.086 4.044 5.043) 6.792 6.969 ( -3.475 9.353 -1.687) 10.119 7.609 ( 6.520 -16.438 3.905) 18.110 8.043 ( -6.954 -1.421 1.376) 7.230 9.167 ( -5.831 0.843 0.994) 5.975 9.599 ( -4.251 2.350 -1.095) 4.979 10.355 ( -1.032 5.075 -6.694) 8.464 10.516 ( 19.355 -6.352 6.861) 21.495 11.824 ( -3.073 27.900 4.586) 28.441 12.051 ( 15.625 -1.233 4.892) 16.420 12.281 ( -4.866 -8.723 3.808) 10.690 12.429 ( 5.700 -14.454 -4.019) 16.049 13.050 ( -5.925 1.647 -3.641) 7.147 13.829 ( 6.463 -1.011 9.458) 11.500 14.256 ( -10.469 -0.678 -11.778) 15.773 18.171 ( -4.663 6.066 -2.038) 7.918 18.412 ( -9.305 -9.738 -1.502) 13.552 19.283 ( 1.362 4.529 -5.724) 7.425 19.369 ( 11.985 -0.459 -2.552) 12.262 21.657 ( -4.121 5.485 14.508) 16.049 22.571 ( 3.931 -3.673 -19.576) 20.302 23.434 ( 6.589 -2.810 1.732) 7.369 23.929 ( -3.531 1.807 5.131) 6.485 ======================= Grid point 25 (18/361) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 4.458 8.373 6.403) 11.445 2.945 ( -15.264 5.162 -9.915) 18.919 3.121 ( 11.586 -7.065 12.346) 18.346 3.350 ( -5.550 0.034 -3.358) 6.486 3.531 ( -9.704 -0.640 -7.148) 12.069 4.312 ( -4.355 -0.735 -10.702) 11.577 4.758 ( -2.609 0.531 -6.054) 6.613 4.833 ( 0.399 -1.681 -12.768) 12.884 5.012 ( -6.297 -3.487 4.639) 8.563 5.074 ( -1.824 -4.009 -3.507) 5.630 5.492 ( -2.968 2.006 3.300) 4.870 6.041 ( -1.252 1.771 -4.446) 4.947 6.206 ( -6.916 -4.170 1.742) 8.262 6.777 ( -2.481 9.634 6.251) 11.749 6.878 ( 1.976 1.527 5.670) 6.196 7.805 ( -6.905 -5.702 5.302) 10.407 8.113 ( 9.747 -13.538 0.762) 16.699 9.085 ( -5.645 2.995 1.438) 6.550 9.494 ( -5.765 -1.569 -2.298) 6.401 10.149 ( -3.503 3.905 -11.322) 12.478 10.979 ( 21.061 -4.183 8.287) 23.016 11.554 ( -1.342 32.447 3.668) 32.681 12.265 ( 4.963 2.662 3.131) 6.444 12.313 ( -2.546 0.116 2.434) 3.524 12.642 ( 2.612 -18.368 3.635) 18.905 12.989 ( 4.043 -0.293 0.740) 4.121 13.749 ( -6.720 2.009 -16.360) 17.800 14.308 ( 5.936 -6.525 14.723) 17.164 18.024 ( -2.584 1.375 -8.260) 8.764 18.394 ( -5.071 -9.023 1.884) 10.521 19.244 ( 6.314 2.823 -1.272) 7.033 19.533 ( 14.314 2.812 -1.299) 14.646 21.643 ( -6.818 10.637 7.759) 14.827 22.423 ( -3.513 -9.036 -14.252) 17.237 23.576 ( 5.706 -2.959 2.322) 6.834 23.925 ( -2.343 3.675 5.281) 6.847 ======================= Grid point 26 (19/361) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -0.978 17.878 -12.052) 21.584 2.535 ( -15.985 9.726 -7.469) 20.147 3.206 ( -4.868 -3.999 -0.827) 6.354 3.349 ( -5.306 -5.992 -3.027) 8.557 3.524 ( 4.747 -9.242 3.427) 10.941 4.045 ( -15.438 14.407 -7.338) 22.355 4.458 ( -12.357 -1.599 -5.604) 13.662 4.729 ( 1.554 -3.153 -17.615) 17.962 5.013 ( -13.333 -8.557 10.067) 18.771 5.114 ( 5.763 -10.229 -4.080) 12.430 5.461 ( -1.709 1.596 -1.875) 2.997 5.970 ( 1.887 2.804 -4.100) 5.313 6.104 ( -13.874 -3.418 0.001) 14.289 6.691 ( -4.152 5.440 2.851) 7.414 7.051 ( 6.059 0.569 8.610) 10.543 7.779 ( -5.738 1.613 6.576) 8.875 8.437 ( 10.953 -19.750 -1.514) 22.635 8.988 ( -6.096 4.310 2.078) 7.749 9.429 ( -6.052 -7.329 -0.968) 9.553 9.918 ( -1.996 4.799 -12.060) 13.132 11.292 ( 0.640 31.207 4.711) 31.567 11.358 ( 15.680 0.660 3.401) 16.058 12.213 ( -4.307 10.024 -0.683) 10.932 12.285 ( -4.130 0.770 3.395) 5.401 12.881 ( 1.121 -15.480 4.937) 16.287 13.200 ( 12.536 0.103 7.920) 14.829 13.416 ( -5.296 1.308 -15.955) 16.862 14.685 ( 8.552 -9.796 14.961) 19.823 17.834 ( -4.253 -4.667 -17.180) 18.304 18.527 ( 3.373 -5.715 11.342) 13.141 19.367 ( 14.839 4.012 0.298) 15.374 19.692 ( 12.072 2.703 1.379) 12.447 21.477 ( -8.847 10.951 -0.208) 14.079 22.262 ( -12.561 -11.165 -8.798) 18.969 23.701 ( 3.866 -2.002 3.222) 5.416 23.934 ( 0.388 5.297 5.116) 7.375 ======================= Grid point 27 (20/361) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -3.598 22.265 -16.126) 27.726 2.101 ( -16.133 15.307 -9.296) 24.104 3.220 ( -3.570 -10.086 0.662) 10.720 3.243 ( -17.155 4.074 -3.856) 18.049 3.450 ( -3.098 15.398 -13.898) 20.973 3.676 ( -0.863 -2.167 -0.130) 2.336 4.367 ( -6.172 -9.043 -1.343) 11.030 4.588 ( 0.164 -1.994 -7.136) 7.411 5.040 ( -14.543 -13.045 8.152) 21.169 5.241 ( 3.012 -11.134 -3.368) 12.015 5.374 ( -5.379 -2.323 -2.578) 6.401 5.899 ( -13.482 -2.055 -3.730) 14.138 5.946 ( 4.145 2.791 -2.492) 5.584 6.653 ( -1.440 1.989 2.744) 3.682 7.187 ( 1.209 1.269 4.473) 4.804 7.825 ( 0.318 1.696 9.816) 9.967 8.699 ( 8.274 -20.076 -8.164) 23.198 8.903 ( -5.369 4.611 5.128) 8.740 9.426 ( -7.110 -11.775 1.104) 13.800 9.738 ( 0.771 3.304 -8.385) 9.045 11.031 ( -0.866 33.616 2.675) 33.734 11.552 ( 9.905 2.353 -1.759) 10.332 12.026 ( -5.245 12.254 -0.903) 13.360 12.260 ( -3.430 0.994 2.825) 4.554 13.039 ( -5.617 0.238 -3.243) 6.490 13.129 ( 0.319 -9.455 -1.889) 9.648 13.583 ( 15.636 0.560 10.700) 18.955 15.077 ( 7.508 -12.631 12.586) 19.347 17.568 ( -5.140 -7.347 -23.229) 24.900 18.853 ( 11.189 -2.932 16.174) 19.884 19.552 ( 19.313 7.894 -2.479) 21.011 19.877 ( 10.754 1.570 5.586) 12.220 21.202 ( -11.939 8.393 -5.116) 15.465 22.035 ( -21.023 -11.360 -6.247) 24.699 23.797 ( 1.883 -1.421 2.264) 3.269 23.980 ( 3.522 6.167 7.264) 10.159 ======================= Grid point 28 (21/361) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -2.427 25.605 -11.417) 28.140 1.538 ( -18.553 20.049 -14.565) 30.956 2.613 ( -13.769 43.643 -5.000) 46.036 3.269 ( -4.468 -11.173 -0.990) 12.073 3.445 ( 3.481 -13.446 -2.652) 14.140 3.676 ( 0.489 0.591 -0.892) 1.177 4.387 ( 6.921 -7.879 -6.991) 12.604 4.577 ( -6.667 -3.521 5.589) 9.385 5.009 ( -14.517 -12.684 1.896) 19.371 5.273 ( -6.019 -5.220 2.291) 8.290 5.349 ( -2.939 -11.862 -4.319) 12.961 5.719 ( -5.696 -2.315 -4.262) 7.481 5.969 ( 4.438 1.899 -1.209) 4.977 6.669 ( 0.518 0.553 1.819) 1.970 7.170 ( -3.557 3.694 0.592) 5.162 7.975 ( 4.535 1.097 8.291) 9.514 8.827 ( 0.200 -18.753 -7.441) 20.176 8.935 ( 3.648 1.739 7.736) 8.728 9.455 ( -7.872 -15.497 -0.045) 17.382 9.672 ( 1.170 -0.497 -3.427) 3.655 10.715 ( -2.436 33.757 -0.192) 33.845 11.555 ( 3.661 8.104 -4.489) 9.961 11.834 ( -3.400 14.044 -0.446) 14.457 12.246 ( -1.641 0.321 1.714) 2.395 12.855 ( -3.682 1.752 -5.168) 6.583 13.307 ( 1.887 -11.112 3.824) 11.902 13.930 ( 12.204 0.933 13.776) 18.428 15.431 ( 4.818 -14.840 9.500) 18.267 17.249 ( -4.641 -5.273 -25.298) 26.255 19.243 ( 12.824 -0.781 13.020) 18.292 19.695 ( 18.378 8.874 -4.811) 20.968 20.074 ( 9.619 6.254 5.350) 12.659 20.910 ( -11.526 2.840 -3.035) 12.252 21.717 ( -25.591 -9.629 -5.841) 27.960 23.827 ( 0.294 0.329 -0.034) 0.442 24.110 ( 4.903 3.125 9.361) 11.020 ======================= Grid point 29 (22/361) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 0.000 27.101 0.000) 27.101 1.083 ( 0.000 27.944 0.000) 27.944 2.043 ( 0.000 51.821 0.000) 51.821 3.322 ( -0.000 -9.914 -0.000) 9.914 3.583 ( -0.000 -13.407 -0.000) 13.407 3.667 ( 0.000 1.144 0.000) 1.144 4.481 ( -0.000 -4.315 -0.000) 4.315 4.594 ( -0.000 -6.191 -0.000) 6.191 4.977 ( -0.000 -8.738 -0.000) 8.738 5.332 ( -0.000 -8.258 -0.000) 8.258 5.340 ( -0.000 -6.880 -0.000) 6.880 5.689 ( -0.000 -3.587 -0.000) 3.587 5.979 ( 0.000 1.642 0.000) 1.642 6.681 ( 0.000 1.019 0.000) 1.019 7.094 ( 0.000 4.459 0.000) 4.459 8.065 ( 0.000 1.612 0.000) 1.612 8.950 ( -0.000 -19.918 -0.000) 19.918 9.087 ( -0.000 -3.661 -0.000) 3.661 9.504 ( -0.000 -16.961 -0.000) 16.961 9.667 ( -0.000 -1.506 -0.000) 1.506 10.372 ( 0.000 33.331 0.000) 33.331 11.443 ( 0.000 12.572 0.000) 12.572 11.671 ( 0.000 15.355 0.000) 15.355 12.246 ( 0.000 0.019 0.000) 0.019 12.790 ( 0.000 0.424 0.000) 0.424 13.440 ( -0.000 -9.077 -0.000) 9.077 14.175 ( -0.000 -4.400 -0.000) 4.400 15.692 ( -0.000 -16.470 -0.000) 16.470 17.001 ( 0.000 2.162 0.000) 2.162 19.444 ( -0.000 -0.661 -0.000) 0.661 19.767 ( 0.000 5.762 0.000) 5.762 20.089 ( 0.000 11.217 0.000) 11.217 20.824 ( -0.000 -2.039 -0.000) 2.039 21.480 ( -0.000 -4.328 -0.000) 4.328 23.819 ( 0.000 1.006 0.000) 1.006 24.223 ( -0.000 -0.703 -0.000) 0.703 ======================= Grid point 34 (23/361) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 4.554 0.000 11.806) 12.654 2.993 ( -15.794 -0.000 -9.425) 18.392 3.044 ( 16.745 0.000 13.053) 21.231 3.360 ( -7.859 -0.000 -6.742) 10.354 3.523 ( -13.737 -0.000 -8.609) 16.211 4.305 ( -2.206 -0.000 -13.708) 13.884 4.698 ( 6.761 0.000 -4.478) 8.109 4.907 ( -9.478 -0.000 -8.393) 12.660 4.973 ( -1.429 -0.000 -2.006) 2.463 5.011 ( -5.920 -0.000 -0.669) 5.958 5.512 ( -3.968 -0.000 3.862) 5.537 6.064 ( 0.396 0.000 -5.274) 5.288 6.161 ( -7.568 -0.000 2.750) 8.052 6.873 ( 4.227 0.000 9.951) 10.812 6.904 ( -10.628 -0.000 1.192) 10.695 7.730 ( 9.315 0.000 7.553) 11.993 7.984 ( -1.710 -0.000 -0.249) 1.728 9.117 ( -5.385 -0.000 2.500) 5.937 9.475 ( -8.626 -0.000 -3.926) 9.477 10.192 ( -3.165 -0.000 -11.631) 12.054 10.939 ( 23.034 0.000 8.698) 24.621 12.101 ( -1.140 -0.000 0.703) 1.339 12.112 ( -3.989 -0.000 12.233) 12.867 12.318 ( 8.468 0.000 5.938) 10.342 12.401 ( 4.713 0.000 -4.521) 6.531 12.987 ( 2.096 0.000 0.477) 2.150 13.767 ( -6.510 -0.000 -16.737) 17.959 14.243 ( 5.077 0.000 14.575) 15.434 18.045 ( -5.466 -0.000 -11.784) 12.990 18.302 ( -1.743 -0.000 5.120) 5.409 19.270 ( 3.082 0.000 1.141) 3.287 19.558 ( 16.624 0.000 -4.192) 17.144 21.770 ( -9.433 -0.000 13.556) 16.515 22.314 ( -0.379 -0.000 -21.549) 21.552 23.547 ( 6.381 0.000 2.893) 7.006 23.959 ( -2.585 -0.000 5.632) 6.197 ======================= Grid point 35 (24/361) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 0.444 9.989 -7.251) 12.351 2.646 ( -14.160 2.008 -6.548) 15.729 3.156 ( -8.517 -1.030 -4.886) 9.873 3.238 ( -12.043 -5.234 -8.831) 15.825 3.407 ( 10.279 -3.080 9.328) 14.219 4.161 ( -6.330 -0.125 -0.335) 6.340 4.557 ( -13.956 9.334 -11.289) 20.232 4.710 ( 3.474 2.352 -11.537) 12.276 4.862 ( -19.567 -8.300 7.787) 22.636 4.934 ( 3.714 -7.755 -9.306) 12.670 5.488 ( -2.254 0.919 -2.138) 3.240 6.009 ( 2.553 1.380 -5.102) 5.869 6.060 ( -12.542 -1.478 1.868) 12.767 6.759 ( -9.786 1.892 2.200) 10.207 7.073 ( 6.956 1.111 9.119) 11.523 7.863 ( 0.746 8.387 4.669) 9.628 8.094 ( 6.954 -16.551 0.979) 17.979 9.060 ( -5.823 2.861 2.762) 7.052 9.314 ( -8.745 -4.215 -3.187) 10.218 9.992 ( -1.544 2.472 -12.793) 13.121 11.329 ( 18.223 -0.681 5.195) 18.961 11.912 ( 0.106 31.468 6.588) 32.151 12.275 ( -4.844 -2.671 5.409) 7.737 12.351 ( -2.245 4.086 -0.805) 4.732 12.527 ( 1.992 -21.260 1.372) 21.397 13.187 ( 15.584 -0.769 8.356) 17.699 13.437 ( -7.752 0.661 -17.067) 18.757 14.547 ( 7.706 -4.360 13.861) 16.447 17.779 ( -6.560 -1.462 -16.955) 18.239 18.459 ( 6.087 -1.832 13.097) 14.558 19.416 ( 11.243 1.374 6.093) 12.861 19.723 ( 14.356 0.737 -3.719) 14.848 21.691 ( -11.891 10.608 4.865) 16.661 22.056 ( -7.716 -10.083 -17.120) 21.314 23.672 ( 4.869 -0.919 3.223) 5.911 24.000 ( -0.200 1.863 5.539) 5.847 ======================= Grid point 36 (25/361) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -6.149 16.025 -10.934) 20.351 2.345 ( -9.503 11.570 -10.515) 18.296 3.041 ( -5.853 -8.530 -3.290) 10.856 3.083 ( -7.633 -11.548 -5.807) 15.011 3.620 ( 4.794 -1.556 3.965) 6.412 3.944 ( -14.290 24.596 -4.503) 28.800 4.216 ( -5.275 -5.703 -4.726) 9.093 4.581 ( 2.384 1.528 -8.811) 9.255 4.798 ( -20.361 -12.550 10.560) 26.145 5.002 ( 3.835 -14.084 -6.868) 16.132 5.362 ( -6.941 0.157 -5.688) 8.976 5.874 ( -13.496 -0.586 -1.756) 13.623 5.997 ( 5.242 2.006 -4.037) 6.914 6.669 ( -5.799 0.013 2.728) 6.408 7.243 ( 5.233 4.144 6.166) 9.088 7.859 ( -0.694 2.567 5.593) 6.193 8.348 ( 7.458 -16.826 -3.365) 18.710 8.978 ( -5.947 3.657 3.481) 7.801 9.236 ( -7.749 -8.486 -0.630) 11.509 9.805 ( 0.385 3.253 -10.721) 11.210 11.580 ( 12.043 1.669 0.767) 12.182 11.685 ( 0.357 35.184 5.046) 35.546 12.201 ( -5.579 6.475 -0.637) 8.571 12.276 ( -3.692 0.971 1.480) 4.094 12.794 ( 1.376 -21.006 4.636) 21.555 13.119 ( -6.708 1.913 -13.312) 15.029 13.569 ( 16.480 -1.418 10.591) 19.641 14.864 ( 6.496 -9.471 10.213) 15.369 17.481 ( -6.728 -2.675 -18.200) 19.587 18.814 ( 12.530 -1.428 18.398) 22.305 19.674 ( 16.902 5.479 4.912) 18.434 19.881 ( 11.894 -1.048 1.225) 12.003 21.388 ( -12.400 11.581 -7.421) 18.519 21.828 ( -16.753 -11.607 -9.108) 22.323 23.775 ( 2.852 -0.921 2.770) 4.081 24.060 ( 2.296 2.809 5.284) 6.410 ======================= Grid point 37 (26/361) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -3.489 21.507 -8.010) 23.214 1.901 ( -11.340 19.496 -12.109) 25.599 3.035 ( -5.542 -12.619 -1.572) 13.872 3.107 ( -1.158 -10.069 2.668) 10.481 3.417 ( -8.412 28.287 -8.349) 30.669 3.692 ( 2.398 2.140 0.292) 3.227 4.245 ( 6.931 -7.186 -4.159) 10.816 4.532 ( -6.329 -0.895 3.178) 7.138 4.761 ( -14.996 -14.035 4.895) 21.115 5.096 ( 2.550 -13.938 -6.178) 15.457 5.200 ( -8.921 -4.130 -2.497) 10.143 5.690 ( -6.502 -0.798 -3.835) 7.591 6.011 ( 4.133 2.221 -1.725) 4.999 6.657 ( -1.950 -1.658 2.196) 3.372 7.275 ( 0.303 7.711 2.030) 7.980 7.954 ( 1.552 -3.551 6.364) 7.451 8.512 ( 4.651 -14.628 -6.733) 16.761 8.948 ( -2.651 0.414 5.691) 6.292 9.214 ( -7.062 -10.451 -0.402) 12.620 9.690 ( 1.486 1.833 -5.991) 6.439 11.391 ( 0.032 38.406 2.008) 38.459 11.672 ( 5.170 4.612 -1.465) 7.082 12.051 ( -3.241 9.467 -0.749) 10.034 12.247 ( -2.341 -0.257 1.147) 2.619 12.891 ( -3.903 1.943 -6.703) 7.996 13.046 ( 1.284 -17.820 2.972) 18.112 13.910 ( 10.721 -2.171 9.115) 14.239 15.150 ( 3.759 -14.456 6.186) 16.167 17.200 ( -5.033 -0.943 -14.854) 15.712 19.231 ( 12.036 -0.477 15.344) 19.508 19.840 ( 13.754 7.009 -3.005) 15.727 20.154 ( 13.890 2.159 10.508) 17.550 20.996 ( -13.520 6.432 -9.964) 17.984 21.555 ( -19.067 -8.454 -6.924) 21.977 23.831 ( 0.950 0.059 1.120) 1.470 24.146 ( 3.106 1.226 4.769) 5.821 ======================= Grid point 38 (27/361) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 0.000 25.601 0.000) 25.601 1.564 ( 0.000 24.614 0.000) 24.614 2.916 ( 0.000 43.142 0.000) 43.142 3.108 ( -0.000 -13.290 -0.000) 13.290 3.306 ( -0.000 -16.758 -0.000) 16.758 3.690 ( 0.000 1.572 0.000) 1.572 4.386 ( -0.000 -5.706 -0.000) 5.706 4.486 ( -0.000 -5.494 -0.000) 5.494 4.788 ( -0.000 -11.141 -0.000) 11.141 5.173 ( -0.000 -8.731 -0.000) 8.731 5.182 ( -0.000 -10.314 -0.000) 10.314 5.635 ( -0.000 -2.115 -0.000) 2.115 6.015 ( 0.000 2.045 0.000) 2.045 6.676 ( -0.000 -1.561 -0.000) 1.561 7.206 ( 0.000 7.903 0.000) 7.903 8.056 ( -0.000 -3.323 -0.000) 3.323 8.621 ( -0.000 -15.134 -0.000) 15.134 9.012 ( -0.000 -3.982 -0.000) 3.982 9.239 ( -0.000 -11.791 -0.000) 11.791 9.657 ( 0.000 0.391 0.000) 0.391 11.044 ( 0.000 39.134 0.000) 39.134 11.633 ( 0.000 8.107 0.000) 8.107 11.925 ( 0.000 11.941 0.000) 11.941 12.242 ( -0.000 -0.453 -0.000) 0.453 12.807 ( 0.000 1.328 0.000) 1.328 13.226 ( -0.000 -14.705 -0.000) 14.705 14.091 ( -0.000 -4.452 -0.000) 4.452 15.371 ( -0.000 -17.696 -0.000) 17.696 17.042 ( 0.000 2.158 0.000) 2.158 19.437 ( -0.000 -0.226 -0.000) 0.226 19.875 ( 0.000 5.814 0.000) 5.814 20.306 ( 0.000 11.918 0.000) 11.918 20.781 ( -0.000 -2.534 -0.000) 2.534 21.389 ( -0.000 -5.420 -0.000) 5.420 23.837 ( 0.000 0.857 0.000) 0.857 24.209 ( -0.000 -0.704 -0.000) 0.704 ======================= Grid point 45 (28/361) ======================= q-point: ( 0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -11.355 -0.000 -3.567) 11.902 2.480 ( 0.209 0.000 -15.291) 15.292 2.945 ( -9.214 -0.000 -6.806) 11.455 2.950 ( -8.345 -0.000 -6.390) 10.511 3.603 ( 4.796 0.000 5.528) 7.318 4.103 ( -4.080 -0.000 2.864) 4.985 4.303 ( -11.723 -0.000 -9.241) 14.927 4.573 ( -16.349 -0.000 5.141) 17.139 4.685 ( 0.748 0.000 -8.261) 8.295 4.815 ( -1.485 -0.000 -3.094) 3.432 5.365 ( -7.469 -0.000 -6.798) 10.100 5.870 ( -13.066 -0.000 -1.422) 13.143 6.015 ( 5.203 0.000 -4.146) 6.653 6.667 ( -7.513 -0.000 2.668) 7.972 7.292 ( 7.228 0.000 7.916) 10.720 7.904 ( -2.615 -0.000 -2.924) 3.922 8.161 ( 8.380 0.000 4.489) 9.506 9.027 ( -5.873 -0.000 2.443) 6.361 9.142 ( -7.479 -0.000 -1.284) 7.588 9.837 ( -0.352 -0.000 -11.130) 11.135 11.591 ( 12.628 0.000 1.663) 12.737 12.192 ( -3.097 -0.000 6.830) 7.499 12.289 ( -7.628 -0.000 1.056) 7.701 12.307 ( -0.660 -0.000 7.658) 7.687 12.378 ( 3.811 0.000 -5.444) 6.645 13.138 ( -6.557 -0.000 -13.978) 15.439 13.553 ( 16.770 0.000 10.705) 19.896 14.772 ( 6.177 0.000 9.267) 11.136 17.458 ( -7.008 -0.000 -16.545) 17.968 18.801 ( 12.930 0.000 19.126) 23.087 19.734 ( 15.830 0.000 12.165) 19.964 19.861 ( 12.286 0.000 -4.746) 13.171 21.608 ( -10.129 -0.000 -22.762) 24.915 21.610 ( -17.479 -0.000 4.180) 17.972 23.766 ( 3.183 0.000 3.015) 4.384 24.086 ( 1.800 0.000 4.648) 4.984 ======================= Grid point 47 (29/361) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -5.979 11.656 -2.776) 13.391 2.216 ( -2.926 12.502 -12.771) 18.110 2.814 ( -5.735 -9.022 -4.145) 11.466 2.862 ( -1.988 -11.231 -1.860) 11.557 3.655 ( -1.598 0.803 -0.954) 2.027 3.986 ( -6.174 21.154 -0.488) 22.042 4.147 ( 7.871 -2.993 -2.376) 8.749 4.507 ( -21.875 -11.860 11.590) 27.450 4.559 ( 0.157 2.444 -4.580) 5.193 4.852 ( 4.818 -10.644 -5.020) 12.716 5.149 ( -10.136 -1.472 -6.145) 11.944 5.684 ( -7.120 -0.056 -3.661) 8.007 6.040 ( 3.802 0.818 -2.050) 4.396 6.626 ( -3.452 -1.162 2.306) 4.311 7.425 ( 3.730 6.954 3.892) 8.799 7.857 ( -1.571 -5.457 -0.505) 5.701 8.324 ( 5.503 -5.323 0.298) 7.662 8.966 ( -4.025 1.403 2.152) 4.775 9.076 ( -4.969 -4.545 0.142) 6.736 9.719 ( 0.434 0.966 -6.640) 6.724 11.725 ( 6.099 1.422 -0.251) 6.267 12.065 ( -0.122 33.577 4.171) 33.835 12.177 ( -3.568 4.369 -0.411) 5.656 12.238 ( -2.151 -0.051 -0.646) 2.246 12.641 ( 0.920 -26.595 2.675) 26.745 12.919 ( -3.686 0.847 -7.934) 8.789 13.876 ( 10.368 -1.126 7.665) 12.943 14.953 ( 3.359 -6.039 4.625) 8.315 17.194 ( -4.902 -0.013 -11.082) 12.118 19.226 ( 11.886 -0.141 16.411) 20.263 19.941 ( 9.991 3.431 -3.581) 11.154 20.161 ( 17.124 -0.559 15.598) 23.170 21.121 ( -14.116 5.837 -18.957) 24.346 21.414 ( -16.146 -5.987 -3.012) 17.482 23.831 ( 1.413 -0.025 1.794) 2.284 24.160 ( 2.060 0.359 2.927) 3.597 ======================= Grid point 48 (30/361) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 0.000 21.356 0.000) 21.356 1.967 ( 0.000 18.922 0.000) 18.922 2.855 ( -0.000 -13.656 -0.000) 13.656 2.988 ( -0.000 -17.142 -0.000) 17.142 3.534 ( 0.000 17.973 0.000) 17.973 3.783 ( 0.000 14.255 0.000) 14.255 4.295 ( -0.000 -3.614 -0.000) 3.614 4.390 ( -0.000 -5.465 -0.000) 5.465 4.602 ( -0.000 -8.434 -0.000) 8.434 4.977 ( -0.000 -11.280 -0.000) 11.280 5.037 ( -0.000 -5.591 -0.000) 5.591 5.611 ( -0.000 -0.650 -0.000) 0.650 6.046 ( 0.000 1.304 0.000) 1.304 6.636 ( -0.000 -2.354 -0.000) 2.354 7.380 ( 0.000 10.744 0.000) 10.744 7.933 ( -0.000 -9.634 -0.000) 9.634 8.416 ( -0.000 -7.252 -0.000) 7.252 8.961 ( -0.000 -1.521 -0.000) 1.521 9.079 ( -0.000 -5.776 -0.000) 5.776 9.672 ( 0.000 0.992 0.000) 0.992 11.740 ( 0.000 3.756 0.000) 3.756 11.757 ( 0.000 37.992 0.000) 37.992 12.097 ( 0.000 6.833 0.000) 6.833 12.228 ( -0.000 -1.123 -0.000) 1.123 12.833 ( 0.000 1.293 0.000) 1.293 12.891 ( -0.000 -22.426 -0.000) 22.426 14.023 ( -0.000 -2.775 -0.000) 2.775 15.090 ( -0.000 -11.855 -0.000) 11.855 17.075 ( 0.000 1.331 0.000) 1.331 19.435 ( -0.000 -0.025 -0.000) 0.025 19.967 ( 0.000 3.862 0.000) 3.862 20.499 ( 0.000 8.502 0.000) 8.502 20.738 ( -0.000 -1.953 -0.000) 1.953 21.293 ( -0.000 -4.626 -0.000) 4.626 23.849 ( 0.000 0.449 0.000) 0.449 24.199 ( -0.000 -0.430 -0.000) 0.430 ======================= Grid point 58 (31/361) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 0.000 0.000 0.000) 0.000 2.177 ( -0.000 -0.000 -0.000) 0.000 2.692 ( -0.000 -0.000 -0.000) 0.000 2.781 ( -0.000 -0.000 -0.000) 0.000 3.629 ( -0.000 -0.000 -0.000) 0.000 4.057 ( -0.000 -0.000 -0.000) 0.000 4.264 ( -0.000 -0.000 -0.000) 0.000 4.292 ( -0.000 -0.000 -0.000) 0.000 4.517 ( -0.000 -0.000 -0.000) 0.000 4.849 ( -0.000 -0.000 -0.000) 0.000 4.984 ( -0.000 -0.000 -0.000) 0.000 5.606 ( -0.000 -0.000 -0.000) 0.000 6.059 ( -0.000 -0.000 -0.000) 0.000 6.611 ( -0.000 -0.000 -0.000) 0.000 7.526 ( -0.000 -0.000 -0.000) 0.000 7.792 ( -0.000 -0.000 -0.000) 0.000 8.352 ( -0.000 -0.000 -0.000) 0.000 8.949 ( -0.000 -0.000 -0.000) 0.000 9.026 ( -0.000 -0.000 -0.000) 0.000 9.683 ( -0.000 -0.000 -0.000) 0.000 11.774 ( -0.000 -0.000 -0.000) 0.000 12.170 ( -0.000 -0.000 -0.000) 0.000 12.207 ( -0.000 -0.000 -0.000) 0.000 12.376 ( 0.000 0.000 0.000) 0.000 12.420 ( -0.000 -0.000 -0.000) 0.000 12.846 ( -0.000 -0.000 -0.000) 0.000 13.997 ( -0.000 -0.000 -0.000) 0.000 14.976 ( -0.000 -0.000 -0.000) 0.000 17.087 ( -0.000 -0.000 -0.000) 0.000 19.435 ( -0.000 -0.000 -0.000) 0.000 20.004 ( -0.000 -0.000 -0.000) 0.000 20.584 ( -0.000 -0.000 -0.000) 0.000 20.719 ( -0.000 -0.000 -0.000) 0.000 21.245 ( -0.000 -0.000 -0.000) 0.000 23.853 ( -0.000 -0.000 -0.000) 0.000 24.195 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 105 (32/361) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -8.359 -0.000 27.744) 28.975 0.701 ( 16.505 0.000 33.686) 37.512 1.239 ( -11.088 -0.000 59.204) 60.234 3.493 ( 0.634 0.000 -1.752) 1.863 3.693 ( -0.630 -0.000 4.963) 5.003 3.911 ( -3.169 -0.000 5.041) 5.955 4.624 ( 3.281 0.000 -3.753) 4.985 5.130 ( 4.491 0.000 1.139) 4.634 5.229 ( -3.521 -0.000 -2.863) 4.538 5.568 ( -17.675 -0.000 8.405) 19.572 5.703 ( -1.487 -0.000 -7.072) 7.227 6.012 ( -21.248 -0.000 9.724) 23.368 6.610 ( -1.998 -0.000 -0.654) 2.102 6.906 ( -44.696 -0.000 -2.423) 44.762 7.125 ( -8.102 -0.000 6.682) 10.501 7.197 ( 0.458 0.000 -0.894) 1.005 8.330 ( 1.746 0.000 1.433) 2.258 9.513 ( -0.846 -0.000 -7.562) 7.609 9.530 ( 0.527 0.000 6.568) 6.589 9.758 ( -3.581 -0.000 -2.882) 4.597 10.166 ( 29.177 0.000 4.779) 29.565 11.025 ( -1.144 -0.000 -1.255) 1.698 11.990 ( -19.387 -0.000 9.151) 21.438 12.200 ( -0.475 -0.000 -4.403) 4.429 12.619 ( 1.352 0.000 -9.572) 9.667 13.019 ( 1.692 0.000 8.544) 8.710 13.582 ( -0.665 -0.000 -2.046) 2.151 15.687 ( -1.191 -0.000 -11.423) 11.485 18.645 ( 2.643 0.000 -5.228) 5.858 19.470 ( 55.191 0.000 -1.017) 55.201 19.485 ( -5.885 -0.000 0.629) 5.919 19.812 ( 5.107 0.000 -3.983) 6.476 20.829 ( 9.098 0.000 -2.549) 9.448 23.042 (-108.127 -0.000 -3.312) 108.178 23.064 ( -2.431 -0.000 4.934) 5.500 23.795 ( 2.677 0.000 -0.253) 2.689 ======================= Grid point 106 (33/361) ======================= q-point: ( 0.10 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 6.753 -12.373 23.578) 27.470 1.252 ( 0.356 -9.963 33.344) 34.802 2.129 ( 27.601 -7.950 44.697) 53.131 3.491 ( 4.676 2.436 -3.824) 6.513 3.717 ( -6.011 0.326 7.784) 9.840 3.911 ( -3.713 3.339 5.855) 7.695 4.619 ( 4.548 3.539 -4.730) 7.456 5.074 ( -26.179 2.821 10.067) 28.190 5.241 ( -7.277 1.269 10.868) 13.141 5.349 ( 8.839 2.508 -4.394) 10.184 5.564 ( -3.601 -0.118 -9.092) 9.780 5.903 ( -7.884 1.837 13.501) 15.742 6.462 ( -1.953 19.320 5.457) 20.170 6.664 ( -2.033 8.210 4.912) 9.780 7.194 ( 2.078 -0.018 0.538) 2.146 7.347 ( -2.760 -24.879 -6.037) 25.749 8.417 ( -2.437 -7.779 5.979) 10.110 9.438 ( 0.005 -5.166 -5.799) 7.766 9.592 ( 1.082 5.635 3.883) 6.928 9.668 ( -2.359 -0.640 -3.984) 4.674 10.551 ( 27.205 16.658 -3.610) 32.103 11.079 ( 2.329 -19.464 -3.002) 19.831 11.925 ( -9.103 11.047 18.571) 23.447 12.141 ( 1.732 -1.333 -5.922) 6.313 12.599 ( 0.878 -13.930 -10.100) 17.229 13.197 ( 3.252 -5.093 7.239) 9.430 13.518 ( -3.239 0.506 -3.319) 4.665 15.431 ( -6.767 2.984 -17.394) 18.901 18.574 ( 5.283 16.926 1.232) 17.774 19.160 ( -26.157 8.313 -3.778) 27.705 19.410 ( -20.637 -13.667 -0.022) 24.752 19.892 ( -5.810 -0.343 0.969) 5.900 20.971 ( 13.133 5.081 4.587) 14.810 22.365 ( 7.195 19.805 0.511) 21.078 23.253 ( -4.852 -25.376 -2.838) 25.991 23.840 ( 2.847 -0.012 0.896) 2.984 ======================= Grid point 107 (34/361) ======================= q-point: ( 0.20 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 11.288 -11.775 19.466) 25.396 1.790 ( 2.842 -15.942 30.725) 34.731 3.094 ( 30.645 -7.643 26.520) 41.241 3.462 ( 4.191 5.836 -5.070) 8.794 3.741 ( -5.047 2.250 12.033) 13.241 3.893 ( -0.267 5.235 1.196) 5.377 4.547 ( 3.305 7.136 -7.085) 10.585 4.874 ( -12.600 -3.435 5.602) 14.210 5.162 ( -7.842 -2.149 0.029) 8.131 5.410 ( -2.897 0.591 -6.664) 7.291 5.599 ( 13.446 3.899 11.405) 18.058 5.960 ( -7.978 -0.305 11.409) 13.925 6.373 ( -2.187 9.484 6.857) 11.906 6.616 ( -4.304 8.413 6.633) 11.546 7.116 ( -2.688 0.516 -10.163) 10.525 7.474 ( 2.637 -11.103 0.151) 11.413 8.525 ( -6.866 -9.828 7.715) 14.257 9.402 ( -3.999 2.873 -2.345) 5.454 9.606 ( 2.064 0.229 -3.358) 3.948 9.645 ( 4.847 -2.023 4.350) 6.820 10.596 ( 9.056 13.345 -3.555) 16.515 11.323 ( 9.037 -18.178 -2.741) 20.484 11.893 ( -8.047 10.529 9.666) 16.403 12.143 ( 5.676 -0.674 -3.783) 6.854 12.656 ( 0.628 -17.697 -4.942) 18.385 13.357 ( 1.053 2.373 2.468) 3.582 13.418 ( -2.299 -1.727 2.466) 3.788 15.039 ( -9.555 4.440 -20.021) 22.624 18.487 ( -7.510 16.847 7.332) 19.848 18.784 ( -1.052 5.217 -10.373) 11.658 19.250 ( -21.463 -16.969 0.584) 27.367 19.745 ( -11.487 2.839 -1.465) 11.923 21.202 ( 13.524 5.408 7.599) 16.428 22.395 ( 15.709 6.135 -7.232) 18.349 23.341 ( -1.594 -14.543 -3.587) 15.063 23.887 ( 2.070 1.143 1.328) 2.712 ======================= Grid point 108 (35/361) ======================= q-point: ( 0.30 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 8.275 -7.666 15.442) 19.124 2.379 ( 8.643 -16.627 25.401) 31.565 3.356 ( 1.314 7.499 -4.958) 9.085 3.536 ( 0.005 2.371 1.822) 2.991 3.785 ( 0.526 9.075 -8.322) 12.325 4.058 ( 19.155 -3.193 20.222) 28.036 4.471 ( 6.910 1.277 -8.408) 10.958 4.870 ( -1.883 -7.797 -2.158) 8.307 5.113 ( -8.099 -4.339 7.467) 11.839 5.305 ( -3.459 0.508 -2.983) 4.596 5.835 ( -7.797 9.016 21.462) 24.550 5.983 ( 3.024 -0.404 5.781) 6.537 6.386 ( -4.177 -3.364 3.772) 6.557 6.557 ( -3.445 11.893 8.191) 14.846 6.914 ( -3.142 3.489 -9.961) 11.012 7.639 ( 7.867 -6.799 2.140) 10.616 8.557 ( -13.903 -10.206 5.014) 17.961 9.257 ( -2.912 8.969 -1.427) 9.537 9.540 ( -2.176 3.055 -1.655) 4.100 9.939 ( 13.820 -7.091 8.048) 17.494 10.553 ( 2.237 0.812 -3.360) 4.118 11.451 ( -1.079 4.661 -4.633) 6.660 11.839 ( 1.563 -3.635 3.419) 5.229 12.205 ( 7.438 -0.244 -2.552) 7.868 12.792 ( -1.090 -16.081 0.834) 16.139 13.193 ( -7.610 6.068 -4.515) 10.729 13.615 ( 6.814 -2.563 10.459) 12.743 14.613 ( -9.418 4.580 -18.644) 21.384 18.249 ( -10.337 9.095 -0.749) 13.788 18.746 ( 12.519 8.758 -5.071) 16.098 19.137 ( -18.436 -18.283 1.073) 25.987 19.515 ( -10.607 4.101 -3.321) 11.847 21.393 ( 9.548 7.596 4.761) 13.097 22.493 ( 11.711 -2.516 -5.750) 13.287 23.409 ( 1.970 -9.578 -2.942) 10.211 23.902 ( 0.321 3.179 1.383) 3.481 ======================= Grid point 109 (36/361) ======================= q-point: ( 0.40 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 1.578 0.693 6.752) 6.969 2.917 ( 9.680 -10.771 14.944) 20.810 3.211 ( -4.752 6.049 -4.739) 9.035 3.450 ( -5.204 3.933 0.147) 6.525 3.592 ( 1.916 5.882 -7.645) 9.834 4.451 ( 3.143 -4.366 -3.066) 6.192 4.570 ( 19.437 -3.450 0.926) 19.763 4.869 ( -1.821 -6.807 -3.242) 7.756 5.167 ( -4.377 -5.271 2.590) 7.324 5.225 ( -5.894 0.158 4.181) 7.228 5.740 ( -17.614 9.969 12.126) 23.595 6.163 ( -0.858 -0.062 5.184) 5.255 6.361 ( -5.858 -4.537 6.365) 9.768 6.539 ( 0.065 10.795 8.495) 13.737 6.790 ( 0.200 1.819 -0.685) 1.954 7.878 ( 14.721 -3.158 1.893) 15.175 8.436 ( -19.790 -5.920 3.622) 20.972 9.151 ( -1.784 5.818 0.444) 6.101 9.474 ( 0.117 2.862 -1.505) 3.235 10.209 ( 4.626 -0.590 2.584) 5.331 10.661 ( 8.000 -14.008 2.947) 16.399 11.156 ( -8.113 18.186 -7.991) 21.457 12.046 ( 7.304 -7.500 4.534) 11.409 12.277 ( 5.671 0.019 -1.660) 5.910 12.900 ( -5.227 -7.564 2.495) 9.527 12.986 ( -2.961 5.077 -2.423) 6.357 13.832 ( 3.825 -2.419 0.341) 4.539 14.296 ( -2.602 1.977 -5.666) 6.541 18.069 ( -3.977 3.303 -2.465) 5.727 18.754 ( 8.155 6.193 -8.060) 13.032 19.085 ( -13.183 -13.888 2.568) 19.320 19.351 ( -3.260 1.931 -0.124) 3.791 21.446 ( 5.826 8.610 -1.238) 10.470 22.620 ( 4.837 -7.358 -0.719) 8.835 23.503 ( 5.019 -6.601 -2.020) 8.535 23.872 ( -1.182 5.577 1.287) 5.844 ======================= Grid point 110 (37/361) ======================= q-point: (-0.50 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -5.952 12.265 -5.080) 14.549 2.812 ( -14.852 13.383 -8.259) 21.631 3.261 ( 2.644 -2.827 2.577) 4.651 3.428 ( 0.117 -3.227 3.449) 4.724 3.646 ( 6.352 -8.732 2.636) 11.115 4.332 ( -3.775 1.701 -17.760) 18.236 4.808 ( -2.984 -6.554 6.126) 9.455 4.854 ( -0.956 -3.057 -5.288) 6.183 5.152 ( -0.225 -7.967 -2.563) 8.373 5.244 ( -3.522 -0.315 7.381) 8.184 5.544 ( -13.445 7.551 9.146) 17.928 6.036 ( -7.120 -0.196 -7.298) 10.197 6.472 ( -0.614 7.235 10.019) 12.374 6.562 ( -7.538 -0.705 11.089) 13.427 6.890 ( 4.118 -2.222 11.241) 12.176 8.058 ( 3.786 0.711 -4.488) 5.915 8.299 ( -4.787 3.119 8.782) 10.477 9.105 ( -2.817 -2.538 0.101) 3.793 9.462 ( 3.060 1.961 -0.574) 3.679 10.168 ( -8.951 -4.442 -6.042) 11.677 10.809 ( -2.681 19.224 -3.835) 19.785 11.007 ( 12.663 -12.273 3.963) 18.074 12.170 ( -3.748 3.087 4.673) 6.739 12.313 ( 1.868 0.872 -0.917) 2.257 12.868 ( 5.452 3.184 1.730) 6.546 13.035 ( 0.061 -5.265 4.638) 7.017 13.650 ( -7.227 3.231 -15.564) 17.462 14.472 ( 11.102 -5.086 11.934) 17.075 17.985 ( -0.953 -1.356 -6.573) 6.779 18.700 ( 6.628 1.183 -8.076) 10.514 19.061 ( -9.897 -7.786 3.718) 13.130 19.396 ( 5.444 -0.176 4.254) 6.911 21.387 ( 3.806 7.446 -6.951) 10.875 22.729 ( -3.726 -9.989 3.748) 11.301 23.615 ( 5.479 -3.410 0.462) 6.470 23.809 ( -0.845 7.308 0.910) 7.413 ======================= Grid point 111 (38/361) ======================= q-point: (-0.40 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -11.579 18.601 -9.724) 23.971 2.320 ( -20.353 19.717 -4.691) 28.723 3.337 ( 2.159 -6.409 -0.701) 6.800 3.500 ( -0.793 -5.149 -0.483) 5.232 3.802 ( -6.271 -5.236 -9.336) 12.405 3.873 ( -14.657 4.995 -10.334) 18.617 4.707 ( -5.851 -0.243 -6.398) 8.674 4.795 ( -11.833 -3.348 3.348) 12.745 5.262 ( 4.635 -6.489 3.291) 8.626 5.393 ( 4.078 -8.547 6.170) 11.303 5.476 ( -7.544 0.152 7.892) 10.919 5.853 ( -4.250 2.558 -6.180) 7.925 6.487 ( 1.615 10.638 6.613) 12.629 6.561 ( -17.000 -8.560 9.655) 21.342 7.153 ( 1.382 -4.822 16.041) 16.807 7.928 ( -10.547 3.252 2.354) 11.285 8.388 ( 13.562 15.050 0.870) 20.278 9.134 ( -1.965 -12.463 -0.659) 12.634 9.501 ( 5.371 2.183 -0.297) 5.805 9.933 ( -12.125 -1.021 -7.532) 14.311 10.667 ( 1.075 7.240 0.525) 7.338 11.275 ( 10.061 -6.117 -1.802) 11.912 12.038 ( -12.713 10.017 6.400) 17.405 12.295 ( -0.387 2.005 -0.981) 2.265 13.018 ( 8.460 7.269 8.836) 14.230 13.183 ( 4.929 -6.017 5.368) 9.451 13.319 ( -6.415 2.226 -15.370) 16.803 14.863 ( 14.225 -6.297 12.017) 19.658 17.843 ( 0.152 -3.776 -19.803) 20.160 18.787 ( 8.929 -3.551 2.496) 9.928 19.039 ( -5.126 -1.498 3.041) 6.146 19.566 ( 8.012 -0.754 5.548) 9.775 21.248 ( 1.775 6.310 -11.595) 13.320 22.783 ( -11.965 -13.080 5.957) 18.701 23.728 ( 0.156 6.105 11.208) 12.763 23.758 ( 4.635 1.360 -4.239) 6.427 ======================= Grid point 112 (39/361) ======================= q-point: (-0.30 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -16.404 19.401 -4.518) 25.805 1.775 ( -22.296 24.891 -1.174) 33.437 2.916 ( -33.184 13.797 -26.946) 44.918 3.537 ( 2.169 -9.105 4.360) 10.325 3.577 ( -5.339 -5.415 2.188) 7.913 3.815 ( -6.840 -3.007 -1.434) 7.608 4.556 ( -4.687 -0.789 -3.768) 6.065 4.753 ( -5.650 -2.738 4.291) 7.605 5.372 ( -4.862 -3.812 1.694) 6.406 5.494 ( 4.720 -5.179 1.326) 7.132 5.632 ( -2.025 -11.543 9.326) 14.977 5.744 ( 0.208 3.723 -1.177) 3.910 6.493 ( -19.176 -7.414 12.980) 24.315 6.514 ( -0.521 -1.034 1.212) 1.676 7.354 ( -6.421 -5.116 12.107) 14.628 7.813 ( -5.665 8.502 6.980) 12.373 8.411 ( 14.207 20.243 -0.735) 24.742 9.240 ( -1.167 -17.935 -2.409) 18.134 9.559 ( 7.915 5.064 -0.176) 9.398 9.741 ( -5.648 1.569 -1.456) 6.040 10.670 ( -2.376 -8.642 -0.672) 8.988 11.341 ( 5.486 2.099 -8.078) 9.988 11.854 ( -16.318 7.574 11.436) 21.318 12.258 ( -0.452 2.328 -0.173) 2.378 13.005 ( -7.804 4.181 -4.220) 9.808 13.225 ( 10.892 8.883 6.407) 15.447 13.389 ( 7.762 -2.302 4.522) 9.274 15.265 ( 14.956 -5.996 9.191) 18.550 17.564 ( 1.543 -4.749 -32.979) 33.354 18.979 ( -4.078 -4.810 4.300) 7.633 19.070 ( 13.096 5.302 5.501) 15.162 19.745 ( 7.273 0.727 4.619) 8.646 21.048 ( 0.193 4.751 -13.388) 14.207 22.781 ( -18.980 -18.237 6.413) 27.091 23.731 ( 4.221 7.191 0.620) 8.361 23.888 ( -0.216 1.527 16.230) 16.303 ======================= Grid point 113 (40/361) ======================= q-point: (-0.20 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -21.444 15.968 7.741) 27.834 1.213 ( -25.498 24.535 1.495) 35.416 1.903 ( -44.558 21.702 -15.732) 51.999 3.570 ( -5.766 -6.408 0.414) 8.631 3.713 ( -3.697 -3.445 6.024) 7.863 3.725 ( 0.093 -2.829 0.291) 2.845 4.554 ( -1.162 -5.731 5.445) 7.990 4.746 ( -2.943 0.801 3.399) 4.567 5.354 ( -3.766 -2.684 5.430) 7.133 5.613 ( -0.388 -6.245 -0.926) 6.325 5.702 ( -3.461 -4.700 1.239) 5.967 5.798 ( 1.374 -1.569 4.411) 4.879 6.480 ( -27.473 -33.731 10.411) 44.731 6.561 ( 4.473 4.934 3.447) 7.498 7.317 ( -15.746 -1.202 4.452) 16.407 7.833 ( 3.894 10.163 11.982) 16.187 8.449 ( 16.857 22.401 3.067) 28.203 9.348 ( -2.576 -15.760 -0.561) 15.979 9.629 ( 9.555 8.036 0.511) 12.496 9.680 ( -0.079 0.948 -2.143) 2.344 10.716 ( -7.823 -25.106 -7.828) 27.437 11.222 ( 1.162 9.484 -7.880) 12.385 11.752 ( -22.282 -6.690 19.132) 30.121 12.245 ( 0.158 1.264 0.814) 1.512 12.844 ( -3.612 0.112 -4.456) 5.737 13.416 ( 15.615 18.992 12.819) 27.728 13.538 ( 8.727 6.528 3.645) 11.491 15.600 ( 13.747 -3.648 3.453) 14.636 17.154 ( -1.175 -1.729 -35.417) 35.479 18.944 ( 2.570 9.784 -1.258) 10.194 19.314 ( 9.663 0.680 6.883) 11.883 19.854 ( 3.876 3.429 2.874) 5.920 20.869 ( 1.520 1.457 -11.310) 11.505 22.762 ( -24.752 -27.769 8.225) 38.098 23.743 ( 5.428 3.428 -2.107) 6.756 24.144 ( -2.607 1.007 31.781) 31.904 ======================= Grid point 114 (41/361) ======================= q-point: (-0.10 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( -21.953 11.974 18.933) 31.366 0.582 ( -35.080 12.322 -4.436) 37.445 1.115 ( -39.353 26.917 36.193) 59.859 3.528 ( -4.601 -3.140 -1.316) 5.724 3.669 ( -2.722 0.724 1.533) 3.207 3.854 ( 0.287 -3.949 4.859) 6.268 4.632 ( -0.195 -3.929 -2.922) 4.900 4.884 ( 5.932 -0.868 18.158) 19.122 5.458 ( -4.964 -2.595 -7.223) 9.141 5.526 ( -1.054 -2.610 5.663) 6.324 5.750 ( 1.216 -2.843 -0.606) 3.151 5.890 ( 3.691 -1.454 8.756) 9.613 6.577 ( -12.026 -27.405 0.384) 29.930 6.683 ( -22.327 -42.734 16.125) 50.840 7.157 ( -13.873 -0.137 6.325) 15.247 7.961 ( 4.069 4.308 0.703) 5.967 8.507 ( 22.851 32.994 -9.217) 41.179 9.453 ( -0.480 -5.105 5.249) 7.338 9.609 ( 1.008 5.696 -4.859) 7.554 9.694 ( 8.666 1.665 -3.416) 9.462 10.449 ( -36.543 -21.276 -32.654) 53.426 11.082 ( 0.407 9.977 0.278) 9.989 11.920 ( -24.818 -46.246 20.773) 56.446 12.239 ( -0.609 -0.217 -1.336) 1.484 12.784 ( -0.040 0.516 -2.158) 2.219 13.407 ( 20.642 57.801 -30.209) 68.408 13.586 ( 2.449 0.975 -0.619) 2.707 15.753 ( 7.428 -0.245 -7.388) 10.479 17.268 ( 31.427 -14.136 72.773) 80.519 18.858 ( 14.411 26.656 -3.593) 30.515 19.469 ( 2.664 -0.175 4.073) 4.870 19.872 ( 0.144 3.561 0.770) 3.646 20.792 ( 4.859 -0.783 -7.969) 9.367 22.833 ( -26.530 -43.211 11.191) 51.926 23.765 ( 4.056 1.125 -1.973) 4.649 24.526 ( -11.096 -19.099 3.859) 22.423 ======================= Grid point 116 (42/361) ======================= q-point: ( 0.10 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 14.127 0.000 25.042) 28.752 1.618 ( -1.750 -0.000 34.650) 34.695 3.025 ( 34.232 0.000 27.468) 43.890 3.520 ( 5.461 0.000 -5.495) 7.747 3.759 ( -3.808 -0.000 11.539) 12.152 3.943 ( -2.089 -0.000 2.810) 3.501 4.633 ( 3.189 0.000 -5.941) 6.742 4.837 ( -14.029 -0.000 0.788) 14.051 5.127 ( -11.085 -0.000 -0.932) 11.124 5.412 ( -2.786 -0.000 -7.027) 7.559 5.633 ( 14.625 0.000 10.802) 18.182 5.960 ( -8.584 -0.000 13.106) 15.667 6.434 ( -10.956 -0.000 2.813) 11.312 6.821 ( -2.223 -0.000 7.425) 7.750 7.081 ( 2.112 0.000 -8.746) 8.998 7.315 ( 1.388 0.000 4.188) 4.412 8.422 ( -8.459 -0.000 10.378) 13.388 9.387 ( -0.773 -0.000 0.278) 0.821 9.602 ( 7.155 0.000 -6.442) 9.628 9.668 ( -0.549 -0.000 2.306) 2.370 10.840 ( -6.534 -0.000 -5.459) 8.515 11.043 ( 28.147 0.000 -2.791) 28.285 12.106 ( 6.787 0.000 -6.893) 9.674 12.109 ( -8.935 -0.000 20.151) 22.043 12.405 ( -0.330 -0.000 -10.209) 10.214 13.365 ( 5.552 0.000 10.049) 11.481 13.415 ( -5.150 -0.000 -3.970) 6.503 15.079 ( -10.873 -0.000 -19.744) 22.540 18.744 ( 11.778 0.000 -3.610) 12.319 18.792 ( -29.458 -0.000 5.669) 29.998 19.034 ( -14.885 -0.000 -8.203) 16.995 19.772 ( -11.106 -0.000 -0.730) 11.130 21.268 ( 11.512 0.000 10.873) 15.835 22.475 ( 13.047 0.000 -16.210) 20.808 23.171 ( 2.098 0.000 3.030) 3.686 23.898 ( 2.875 0.000 1.383) 3.190 ======================= Grid point 117 (43/361) ======================= q-point: ( 0.20 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 13.254 2.246 23.064) 26.696 2.087 ( 3.995 -13.074 29.506) 32.519 3.479 ( 1.838 4.852 -5.377) 7.472 3.556 ( 7.536 -0.140 1.571) 7.699 3.900 ( -0.131 3.027 -5.476) 6.258 4.024 ( 17.138 -0.917 17.944) 24.830 4.542 ( 2.935 5.882 -9.511) 11.562 4.735 ( 0.454 -6.606 -8.227) 10.561 5.019 ( -9.776 -4.092 7.531) 13.001 5.312 ( -4.631 0.148 -1.449) 4.855 5.944 ( -3.917 2.901 20.938) 21.498 5.980 ( -0.145 0.061 6.474) 6.476 6.322 ( -9.989 -2.245 2.145) 10.461 6.801 ( -3.079 10.062 6.422) 12.327 6.992 ( 1.249 5.126 -7.883) 9.485 7.453 ( 1.112 -10.926 7.835) 13.491 8.394 ( -14.613 -5.491 6.528) 16.920 9.331 ( -5.431 0.832 -0.705) 5.540 9.643 ( 1.091 6.177 -0.074) 6.273 9.816 ( 17.907 -5.486 4.604) 19.286 10.628 ( -6.427 4.030 -7.097) 10.388 11.421 ( 21.329 -4.163 0.018) 21.732 12.003 ( -2.595 17.673 -0.512) 17.870 12.204 ( 5.144 0.420 0.403) 5.176 12.437 ( -3.383 -21.293 2.083) 21.661 13.271 ( -6.876 2.212 -3.874) 8.196 13.582 ( 6.890 -0.948 9.604) 11.858 14.665 ( -11.697 1.301 -18.566) 21.982 18.441 ( -15.121 10.787 -0.788) 18.591 18.794 ( -13.217 -10.866 -6.624) 18.348 18.891 ( 12.086 -0.086 -2.037) 12.256 19.567 ( -11.941 1.468 -3.634) 12.567 21.539 ( 8.177 6.035 12.551) 16.150 22.438 ( 10.680 -2.544 -16.267) 19.625 23.268 ( 3.750 -4.684 1.193) 6.117 23.945 ( 1.564 1.257 1.604) 2.569 ======================= Grid point 118 (44/361) ======================= q-point: ( 0.30 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 5.823 5.264 16.772) 18.518 2.663 ( 10.828 -15.371 21.664) 28.685 3.324 ( -5.592 5.670 -6.852) 10.506 3.518 ( -4.591 3.249 -2.275) 6.067 3.731 ( -1.118 6.947 -11.687) 13.642 4.380 ( 2.458 -2.215 -0.367) 3.329 4.526 ( 19.537 -1.468 -5.082) 20.241 4.724 ( 2.475 -8.575 -7.370) 11.574 5.086 ( -3.214 -2.934 7.006) 8.247 5.220 ( -8.403 -0.594 2.318) 8.737 5.872 ( -17.328 4.549 10.288) 20.659 6.168 ( -3.739 0.726 3.597) 5.238 6.273 ( -3.850 -4.283 10.970) 12.390 6.758 ( -2.232 9.155 8.306) 12.561 6.872 ( 0.700 8.864 -1.426) 9.006 7.728 ( 7.123 -12.784 8.604) 16.976 8.273 ( -18.094 -8.107 2.178) 19.947 9.235 ( -5.080 2.890 0.366) 5.855 9.582 ( 0.078 7.180 -0.616) 7.206 10.205 ( 13.597 -0.425 4.509) 14.332 10.473 ( 0.589 -6.735 -3.140) 7.454 11.549 ( 4.610 22.312 -4.227) 23.172 11.940 ( 9.436 -2.117 4.605) 10.711 12.277 ( 5.793 0.031 -1.413) 5.963 12.635 ( -3.387 -19.477 5.716) 20.579 13.091 ( -7.157 4.590 -3.038) 9.029 13.791 ( 6.549 -1.773 2.522) 7.238 14.314 ( -7.967 0.164 -9.506) 12.404 18.167 ( -6.885 7.211 -4.514) 10.945 18.660 ( -10.917 -13.348 -6.057) 18.277 19.026 ( 11.791 4.712 -1.658) 12.805 19.370 ( -6.482 0.064 -2.492) 6.945 21.658 ( 3.764 13.315 6.451) 15.267 22.450 ( 5.730 -10.726 -10.182) 15.860 23.391 ( 5.811 -4.874 0.776) 7.624 23.956 ( -0.117 3.313 1.930) 3.836 ======================= Grid point 119 (45/361) ======================= q-point: (-0.60 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -0.777 12.091 2.978) 12.477 3.007 ( -9.336 7.520 -5.385) 13.142 3.175 ( 3.940 -8.283 10.020) 13.584 3.396 ( -4.137 0.249 -1.786) 4.513 3.549 ( -0.341 -0.878 -6.485) 6.553 4.342 ( -1.030 -0.925 -8.091) 8.209 4.705 ( 5.486 -6.543 -5.318) 10.059 4.762 ( -0.515 -4.380 -2.400) 5.021 5.032 ( -3.322 -3.899 -5.291) 7.365 5.220 ( -4.448 -2.203 6.258) 7.988 5.669 ( -16.662 5.497 6.121) 18.582 6.041 ( -5.641 0.561 -5.364) 7.805 6.431 ( -9.530 -3.897 15.620) 18.708 6.752 ( -1.844 13.330 8.681) 16.014 6.877 ( 2.621 0.853 8.617) 9.047 8.042 ( 8.561 -3.645 -2.582) 9.657 8.138 ( -13.842 -15.221 9.424) 22.629 9.143 ( -5.242 4.560 1.844) 7.188 9.520 ( 0.077 3.326 -0.898) 3.446 10.123 ( -7.207 0.115 -9.590) 11.996 10.817 ( 17.956 -8.607 7.896) 21.421 11.272 ( 0.885 29.820 -2.251) 29.918 12.195 ( 7.282 -0.374 6.900) 10.039 12.322 ( 2.475 0.268 -0.643) 2.571 12.823 ( -0.794 -12.598 6.158) 14.045 12.962 ( -0.844 1.486 -0.528) 1.789 13.695 ( -5.621 1.713 -15.384) 16.468 14.364 ( 7.592 -6.159 9.529) 13.652 17.986 ( -3.198 1.387 -8.738) 9.408 18.578 ( -5.884 -11.093 -3.999) 13.178 19.071 ( 5.485 6.247 -0.524) 8.330 19.382 ( 6.620 -1.804 1.084) 6.947 21.586 ( 1.414 14.053 -2.376) 14.323 22.513 ( -2.527 -13.725 -2.729) 14.220 23.537 ( 6.771 -4.147 1.354) 8.055 23.934 ( -0.860 5.626 2.576) 6.247 ======================= Grid point 120 (46/361) ======================= q-point: (-0.50 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -7.177 19.392 -7.727) 22.074 2.625 ( -17.597 12.998 -4.720) 22.381 3.258 ( -0.085 -2.269 -1.201) 2.569 3.416 ( -0.825 -3.841 0.341) 3.944 3.614 ( 0.467 -12.410 -0.374) 12.425 4.067 ( -13.382 13.151 -13.072) 22.867 4.664 ( -9.489 -5.476 1.685) 11.085 4.685 ( -7.241 -6.426 -8.111) 12.630 5.100 ( 6.559 -10.576 -1.367) 12.519 5.267 ( -2.501 -5.223 6.054) 8.378 5.510 ( -9.762 2.909 3.970) 10.932 5.901 ( -2.236 2.391 -5.280) 6.212 6.431 ( -17.287 -4.379 9.695) 20.298 6.699 ( -3.701 10.461 7.281) 13.272 7.081 ( 1.949 -2.573 14.126) 14.490 7.946 ( -9.279 -0.637 2.071) 9.529 8.413 ( 10.407 -12.332 0.906) 16.162 9.051 ( -5.606 4.112 2.604) 7.424 9.514 ( 0.967 -1.443 0.054) 1.738 9.883 ( -8.452 -2.122 -10.394) 13.564 11.014 ( 1.703 28.597 0.420) 28.650 11.188 ( 14.581 -3.720 4.177) 15.617 12.217 ( -6.311 8.666 4.026) 11.452 12.331 ( -1.287 1.889 1.620) 2.802 13.029 ( 1.019 -11.081 5.148) 12.261 13.076 ( 13.897 -0.242 7.041) 15.581 13.369 ( -8.339 2.712 -15.463) 17.777 14.715 ( 12.643 -9.482 9.647) 18.515 17.781 ( -3.273 -2.871 -18.646) 19.147 18.645 ( 0.782 -8.845 6.319) 10.898 19.111 ( 9.021 6.780 0.287) 11.288 19.549 ( 10.204 -1.420 2.861) 10.692 21.407 ( -0.366 11.075 -8.815) 14.159 22.534 ( -11.698 -14.363 1.218) 18.564 23.685 ( 5.770 -3.159 2.286) 6.964 23.907 ( -0.036 7.474 4.629) 8.792 ======================= Grid point 121 (47/361) ======================= q-point: (-0.40 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -10.767 23.058 -6.775) 26.334 2.162 ( -20.268 16.844 -5.261) 26.874 3.252 ( -11.763 18.609 -14.088) 26.137 3.361 ( -3.323 -7.799 -0.195) 8.480 3.471 ( -11.010 -5.635 -1.081) 12.416 3.748 ( -5.585 -2.769 0.554) 6.259 4.507 ( -8.175 -4.841 -7.005) 11.803 4.674 ( -5.300 -5.699 6.247) 9.980 5.269 ( 1.782 -8.871 0.862) 9.089 5.401 ( -1.298 -11.036 5.670) 12.475 5.414 ( -6.456 -3.785 0.331) 7.491 5.818 ( 2.028 3.921 -2.483) 5.064 6.283 ( -24.903 -7.299 6.965) 26.869 6.656 ( -1.947 7.036 5.595) 9.198 7.270 ( -3.599 -3.472 11.523) 12.562 7.896 ( -3.565 2.067 5.615) 6.965 8.619 ( 12.030 -4.863 -6.108) 14.342 8.995 ( -5.337 -1.803 4.031) 6.927 9.561 ( 1.658 -3.494 -0.361) 3.884 9.720 ( -5.050 -5.233 -3.599) 8.115 10.788 ( -0.955 22.722 -1.111) 22.769 11.387 ( 8.950 2.504 -0.199) 9.296 12.046 ( -11.031 11.462 4.994) 16.673 12.302 ( -2.010 2.385 1.284) 3.373 13.056 ( -7.437 2.311 -11.572) 13.948 13.206 ( 3.314 -8.537 4.587) 10.242 13.419 ( 16.818 2.468 11.448) 20.494 15.104 ( 13.952 -11.346 6.411) 19.092 17.484 ( -3.287 -3.686 -25.770) 26.239 18.876 ( 4.872 -5.118 11.264) 13.297 19.209 ( 13.893 8.592 0.643) 16.348 19.751 ( 10.677 -0.305 3.862) 11.358 21.163 ( -2.410 7.784 -12.672) 15.066 22.467 ( -20.810 -16.129 2.681) 26.465 23.783 ( 3.797 -0.135 -1.254) 4.001 23.959 ( 1.556 5.220 12.995) 14.090 ======================= Grid point 122 (48/361) ======================= q-point: (-0.30 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -11.731 24.742 1.363) 27.416 1.589 ( -25.418 17.634 -10.147) 32.557 2.477 ( -26.620 37.907 -5.206) 46.612 3.434 ( -6.409 -8.849 -0.355) 10.932 3.539 ( 1.970 -12.180 4.728) 13.213 3.711 ( -4.394 -1.335 1.432) 4.810 4.437 ( -3.002 -7.062 1.102) 7.752 4.730 ( -3.408 -2.592 6.184) 7.522 5.278 ( -7.177 -5.628 2.922) 9.577 5.447 ( -2.340 -12.124 -3.202) 12.756 5.527 ( -4.515 -11.438 4.175) 12.986 5.828 ( 2.272 3.010 2.467) 4.506 6.070 ( -27.065 -12.563 5.619) 30.363 6.653 ( 0.401 4.332 3.387) 5.513 7.290 ( -11.661 -0.916 6.010) 13.151 7.943 ( 3.503 3.568 5.335) 7.312 8.716 ( 14.094 1.722 -8.416) 16.505 9.066 ( -3.610 -9.669 9.489) 14.020 9.591 ( 1.889 -4.033 -3.643) 5.753 9.748 ( -2.499 -8.281 3.556) 9.352 10.521 ( -7.474 14.034 -5.954) 16.978 11.404 ( 3.319 9.527 -0.943) 10.132 11.845 ( -12.358 11.058 6.399) 17.775 12.271 ( -1.485 1.533 0.716) 2.251 12.850 ( -3.479 0.612 -6.400) 7.311 13.381 ( 3.438 -7.922 2.812) 9.082 13.776 ( 18.726 7.066 11.787) 23.227 15.456 ( 13.647 -11.974 0.453) 18.162 17.135 ( -3.613 -0.186 -22.282) 22.574 19.100 ( 12.438 5.851 4.931) 14.603 19.362 ( 11.985 5.219 3.194) 13.456 19.927 ( 8.741 4.112 3.710) 10.348 20.911 ( -1.841 3.171 -12.928) 13.438 22.312 ( -31.000 -20.529 5.234) 37.548 23.792 ( 3.172 2.146 -2.264) 4.449 24.153 ( 0.565 0.104 17.501) 17.511 ======================= Grid point 123 (49/361) ======================= q-point: (-0.20 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -18.489 22.782 1.721) 29.391 0.937 ( -13.058 24.495 7.813) 28.836 1.812 ( -22.915 43.904 17.443) 52.506 3.428 ( -3.846 -7.586 -0.611) 8.527 3.683 ( -2.549 0.580 1.757) 3.150 3.719 ( -0.327 -10.502 5.188) 11.718 4.523 ( 1.196 -7.149 -0.214) 7.251 4.842 ( 0.144 -3.709 14.732) 15.193 5.349 ( -9.935 -12.087 6.506) 16.945 5.403 ( -4.640 -10.847 -2.460) 12.052 5.568 ( -18.249 -13.676 7.330) 23.953 5.801 ( -16.125 -5.927 7.825) 18.878 5.971 ( -4.556 -4.249 2.712) 6.795 6.662 ( 0.824 2.228 1.241) 2.680 7.170 ( -12.009 1.554 5.577) 13.331 8.014 ( 3.544 2.449 -0.662) 4.359 8.790 ( 16.471 1.046 -15.521) 22.656 9.289 ( -0.507 -11.527 12.028) 16.667 9.612 ( 3.536 -3.215 -3.521) 5.937 9.803 ( -6.623 -8.609 1.691) 10.992 10.155 ( -14.122 11.695 -8.468) 20.197 11.330 ( 1.040 14.548 3.137) 14.919 11.683 ( -12.643 6.249 11.289) 18.065 12.245 ( -0.746 0.515 -1.200) 1.504 12.782 ( 0.155 -0.190 -1.301) 1.324 13.494 ( 1.641 -6.498 -1.828) 6.947 13.992 ( 15.696 11.008 -16.154) 25.069 15.666 ( 9.947 -9.892 -12.832) 19.012 17.082 ( 5.813 -5.073 27.580) 28.639 19.287 ( 27.802 16.156 -1.804) 32.206 19.473 ( 3.938 1.277 -0.493) 4.169 19.991 ( 2.369 8.953 3.120) 9.773 20.768 ( 3.336 -1.681 -10.401) 11.052 22.115 ( -43.602 -27.415 14.646) 53.546 23.791 ( 2.557 1.728 -1.431) 3.401 24.323 ( -7.811 -5.301 6.210) 11.300 ======================= Grid point 124 (50/361) ======================= q-point: (-0.10 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -1.956 22.485 18.893) 29.434 0.880 ( 16.132 17.287 26.366) 35.416 1.559 ( -10.870 31.969 44.127) 55.564 3.450 ( 0.716 -4.694 -1.384) 4.946 3.692 ( -1.444 0.060 4.641) 4.861 3.844 ( -3.133 -7.182 5.538) 9.595 4.578 ( 4.151 -4.629 -4.500) 7.676 5.096 ( 5.696 -4.071 1.921) 7.260 5.199 ( -10.303 -4.272 5.057) 12.246 5.445 ( -35.181 -17.280 13.650) 41.505 5.689 ( -16.379 -20.385 10.016) 28.003 5.758 ( 0.443 -4.718 9.287) 10.427 6.072 ( 5.817 -8.313 10.191) 14.381 6.660 ( -1.413 0.456 0.776) 1.675 7.122 ( -3.691 0.696 7.249) 8.164 7.851 ( -8.591 13.336 -15.394) 22.105 8.591 ( 0.967 16.475 -17.953) 24.386 9.438 ( -2.762 -10.531 5.463) 12.181 9.601 ( 0.148 6.634 -6.116) 9.025 9.780 ( -9.937 -3.122 -2.373) 10.683 10.047 ( 23.427 -0.879 7.087) 24.491 11.235 ( 2.074 17.930 0.767) 18.066 11.722 ( -11.082 -7.833 20.308) 24.425 12.205 ( 0.047 0.349 -4.053) 4.069 12.780 ( 1.999 3.163 -3.287) 4.980 13.389 ( -1.740 16.837 -21.093) 27.045 13.612 ( -1.174 10.254 -8.405) 13.310 15.631 ( 0.290 -6.278 -14.047) 15.388 18.046 ( 11.611 -41.524 33.193) 54.413 19.406 ( -8.093 -5.184 -5.581) 11.114 19.607 ( 25.783 8.671 -4.221) 27.528 19.930 ( 0.807 8.904 -0.211) 8.943 20.755 ( 4.742 -4.929 -3.392) 7.635 22.052 ( -32.914 -30.311 27.680) 52.615 23.803 ( 2.256 0.813 -0.148) 2.403 23.909 ( -26.329 22.545 -18.605) 39.341 ======================= Grid point 127 (51/361) ======================= q-point: ( 0.20 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 0.133 0.000 22.821) 22.822 2.440 ( 18.262 0.000 21.294) 28.052 3.384 ( -6.787 -0.000 -7.531) 10.138 3.552 ( -3.099 -0.000 -3.913) 4.991 3.794 ( -1.808 -0.000 -11.429) 11.571 4.372 ( 5.217 0.000 1.418) 5.407 4.532 ( 4.892 0.000 -6.374) 8.034 4.605 ( 14.823 0.000 -12.711) 19.526 5.062 ( -1.945 -0.000 11.828) 11.987 5.212 ( -9.717 -0.000 0.537) 9.732 5.912 ( -16.481 -0.000 9.002) 18.780 6.185 ( -7.620 -0.000 -1.883) 7.849 6.222 ( -0.813 -0.000 17.973) 17.992 6.826 ( -2.823 -0.000 3.725) 4.674 7.026 ( 2.671 0.000 -1.449) 3.039 7.547 ( -0.988 -0.000 16.231) 16.261 8.198 ( -14.343 -0.000 0.744) 14.363 9.260 ( -5.184 -0.000 1.102) 5.299 9.661 ( -2.911 -0.000 -0.612) 2.975 10.196 ( 24.800 0.000 9.157) 26.437 10.413 ( -8.502 -0.000 -9.885) 13.038 11.753 ( 21.271 0.000 3.996) 21.644 12.060 ( 6.416 0.000 -13.528) 14.972 12.284 ( 3.653 0.000 -0.426) 3.678 12.312 ( -9.387 -0.000 17.210) 19.604 13.135 ( -7.635 -0.000 -2.824) 8.141 13.774 ( 7.204 0.000 3.049) 7.823 14.313 ( -9.862 -0.000 -10.674) 14.533 18.280 ( -9.518 -0.000 -7.142) 11.900 18.481 ( -10.548 -0.000 -2.700) 10.888 19.084 ( 16.896 0.000 -3.482) 17.251 19.365 ( -9.141 -0.000 -3.957) 9.961 21.824 ( 1.861 0.000 15.071) 15.186 22.311 ( 6.883 0.000 -19.591) 20.765 23.344 ( 6.231 0.000 2.101) 6.576 23.987 ( 0.310 0.000 1.976) 2.000 ======================= Grid point 128 (52/361) ======================= q-point: ( 0.30 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -0.157 8.112 9.451) 12.456 2.972 ( 13.942 -8.171 17.341) 23.704 3.123 ( -13.244 2.435 -8.301) 15.819 3.412 ( -6.383 0.777 -5.478) 8.447 3.572 ( -5.581 1.532 -12.672) 13.931 4.321 ( -3.796 -0.570 -0.264) 3.848 4.581 ( 6.944 -4.553 -5.588) 10.008 4.709 ( 12.183 -2.231 -12.360) 17.498 5.025 ( -12.111 1.964 -2.143) 12.455 5.171 ( -2.291 -2.632 5.057) 6.144 5.737 ( -17.093 1.921 4.718) 17.836 6.049 ( -4.544 0.266 -5.348) 7.023 6.381 ( -11.476 -1.450 19.280) 22.484 6.894 ( 1.976 1.321 9.227) 9.528 6.980 ( -3.696 8.584 2.412) 9.652 7.809 ( 1.080 -12.045 14.274) 18.708 8.036 ( -7.554 -1.233 -1.987) 7.908 9.207 ( -5.243 1.924 3.175) 6.424 9.560 ( -6.266 0.979 -2.650) 6.873 10.158 ( -6.168 2.309 -11.639) 13.373 10.694 ( 22.969 -4.158 9.977) 25.385 11.829 ( 5.847 28.637 -2.085) 29.302 12.158 ( 13.962 -4.869 5.644) 15.827 12.326 ( 2.790 0.140 -0.905) 2.936 12.505 ( -3.784 -18.182 10.815) 21.491 13.004 ( -4.674 1.666 -0.803) 5.026 13.715 ( -4.046 0.502 -15.555) 16.081 14.275 ( 4.620 -2.892 8.118) 9.778 18.023 ( -6.095 1.915 -13.147) 14.617 18.407 ( -4.803 -5.941 2.274) 7.971 19.203 ( 6.147 7.157 -2.281) 9.706 19.321 ( 9.281 -4.879 -2.038) 10.682 21.877 ( -1.841 16.470 3.347) 16.907 22.235 ( -0.147 -15.887 -9.940) 18.741 23.481 ( 7.196 -1.649 2.866) 7.920 24.004 ( -0.478 1.959 2.621) 3.307 ======================= Grid point 129 (53/361) ======================= q-point: (-0.60 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( -4.853 15.653 -4.412) 16.971 2.789 ( -16.299 4.991 -5.675) 17.966 3.237 ( -5.496 -0.665 -4.311) 7.016 3.362 ( -6.018 -3.471 -5.008) 8.564 3.392 ( 6.953 -9.188 6.740) 13.349 4.283 ( -4.811 7.169 1.596) 8.780 4.518 ( -5.750 -3.603 -13.563) 15.166 4.649 ( -6.290 -0.128 -4.474) 7.720 4.903 ( 2.459 -10.478 -5.180) 11.944 5.186 ( -6.153 -3.773 4.124) 8.313 5.562 ( -11.427 2.301 2.556) 11.933 5.934 ( -0.888 1.187 -5.256) 5.461 6.381 ( -19.695 -1.467 13.832) 24.112 6.860 ( -7.378 6.797 3.344) 10.574 7.065 ( 3.223 0.482 12.223) 12.650 7.926 ( -7.289 -0.820 3.706) 8.218 8.133 ( 7.550 -14.517 2.895) 16.617 9.144 ( -6.337 4.235 4.299) 8.751 9.450 ( -6.262 -4.489 -1.906) 7.937 9.903 ( -4.162 3.272 -12.586) 13.654 11.130 ( 18.025 -2.454 7.184) 19.559 11.606 ( 4.100 33.773 1.463) 34.053 12.321 ( 0.142 2.371 -0.980) 2.569 12.370 ( -1.293 1.892 6.913) 7.283 12.752 ( -1.032 -18.754 6.143) 19.761 13.060 ( 11.594 -0.902 6.216) 13.186 13.406 ( -7.781 1.323 -16.297) 18.107 14.550 ( 10.878 -7.529 7.681) 15.298 17.742 ( -5.589 -1.375 -18.360) 19.241 18.516 ( 2.643 -4.916 10.063) 11.507 19.240 ( 10.626 6.816 0.588) 12.638 19.506 ( 13.165 -3.266 -1.370) 13.633 21.645 ( -2.549 14.600 -9.672) 17.698 22.260 ( -10.463 -15.557 -0.083) 18.749 23.637 ( 6.152 -1.922 3.713) 7.438 24.011 ( 0.010 3.822 3.636) 5.275 ======================= Grid point 130 (54/361) ======================= q-point: (-0.50 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -8.216 20.887 -6.613) 23.399 2.404 ( -18.223 10.281 -6.953) 22.048 3.168 ( -3.035 -9.005 -1.284) 9.589 3.276 ( -7.708 -10.902 -3.349) 13.765 3.577 ( 3.184 3.132 1.626) 4.753 3.881 ( -16.279 21.334 -9.239) 28.382 4.375 ( -10.923 -9.118 -4.715) 14.990 4.576 ( -1.897 -4.049 2.879) 5.318 5.044 ( 4.038 -15.074 -2.572) 15.816 5.210 ( -9.021 -8.380 7.763) 14.555 5.403 ( -8.006 0.533 -3.768) 8.864 5.880 ( 3.015 2.760 -2.836) 4.975 6.205 ( -25.732 -1.999 8.101) 27.051 6.753 ( -6.058 3.564 3.114) 7.687 7.242 ( 0.103 0.392 11.173) 11.180 7.911 ( -1.921 -0.090 4.179) 4.601 8.369 ( 6.289 -15.386 -3.062) 16.901 9.069 ( -6.366 4.442 5.346) 9.426 9.420 ( -5.851 -9.995 -0.389) 11.588 9.696 ( -0.751 2.799 -9.276) 9.718 11.339 ( 4.405 29.286 -0.312) 29.617 11.435 ( 10.046 7.376 5.095) 13.465 12.228 ( -6.802 7.612 1.170) 10.275 12.344 ( -5.071 2.435 3.466) 6.607 12.979 ( 1.828 -16.284 3.330) 16.721 13.096 ( -6.901 1.730 -12.965) 14.789 13.424 ( 17.592 -1.346 12.009) 21.342 14.879 ( 12.391 -12.133 3.540) 17.700 17.435 ( -5.156 -1.694 -20.315) 21.028 18.803 ( 9.129 -2.872 15.227) 17.985 19.368 ( 15.934 8.699 -0.487) 18.160 19.725 ( 13.689 -2.793 1.924) 14.103 21.327 ( -4.717 9.952 -14.472) 18.186 22.191 ( -19.515 -14.021 1.368) 24.068 23.768 ( 3.575 -1.028 3.203) 4.909 24.044 ( 1.596 3.748 6.290) 7.493 ======================= Grid point 131 (55/361) ======================= q-point: (-0.40 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -8.266 23.837 -0.943) 25.247 1.896 ( -20.790 16.394 -9.777) 28.224 3.173 ( -13.441 32.324 -5.331) 35.411 3.247 ( -9.799 -8.210 0.875) 12.814 3.291 ( 0.575 -13.749 2.553) 13.996 3.686 ( -1.800 -1.074 1.056) 2.347 4.296 ( -4.132 -8.259 -0.525) 9.250 4.659 ( -2.262 -4.775 6.161) 8.117 5.157 ( -16.169 -7.293 1.769) 17.825 5.185 ( -1.101 -15.765 -3.097) 16.104 5.345 ( -2.985 -7.997 2.405) 8.868 5.878 ( -6.125 1.890 2.192) 6.775 5.950 ( -14.315 -1.968 2.953) 14.749 6.703 ( -2.804 1.135 1.913) 3.579 7.302 ( -6.241 2.464 6.950) 9.661 7.971 ( 3.246 -0.797 2.362) 4.093 8.532 ( 5.609 -14.102 -4.760) 15.905 9.041 ( -3.867 1.294 6.849) 7.971 9.432 ( -7.710 -13.990 -0.916) 16.000 9.615 ( 1.964 -0.152 -3.281) 3.827 11.042 ( 0.718 35.862 -1.856) 35.917 11.551 ( 5.530 6.566 2.814) 9.034 12.054 ( -8.698 10.642 3.032) 14.075 12.295 ( -3.588 1.000 1.133) 3.894 12.868 ( -3.152 1.311 -8.077) 8.768 13.186 ( 2.114 -13.673 2.186) 14.007 13.818 ( 15.213 -0.827 10.439) 18.468 15.193 ( 11.807 -15.681 -2.032) 19.734 17.143 ( -3.730 0.835 -15.085) 15.562 19.158 ( 13.295 1.404 13.153) 18.755 19.492 ( 15.603 8.054 -3.990) 18.007 19.987 ( 14.679 2.084 5.907) 15.960 20.986 ( -5.781 4.989 -15.923) 17.660 22.003 ( -27.746 -13.925 2.608) 31.153 23.824 ( 1.517 1.331 0.719) 2.142 24.153 ( 1.557 0.020 9.243) 9.373 ======================= Grid point 132 (56/361) ======================= q-point: (-0.30 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -12.690 24.278 0.282) 27.396 1.401 ( -6.077 25.258 6.866) 26.871 2.612 ( -12.828 42.078 5.327) 44.312 3.256 ( -4.475 -11.049 0.440) 11.929 3.485 ( -1.034 -14.766 5.875) 15.926 3.690 ( -0.791 0.235 1.535) 1.742 4.388 ( 3.009 -7.550 1.148) 8.208 4.755 ( -4.308 -5.647 11.179) 13.244 5.040 ( -19.863 -16.666 5.011) 26.409 5.229 ( -3.029 -9.669 -5.442) 11.501 5.390 ( -9.211 -8.505 6.319) 14.039 5.728 ( -10.556 -2.866 5.752) 12.358 5.974 ( 3.353 1.892 1.797) 4.249 6.686 ( -0.764 -0.036 -0.363) 0.846 7.223 ( -8.427 4.483 4.489) 10.548 8.035 ( 3.362 -0.910 -2.985) 4.588 8.684 ( 7.645 -9.869 -3.924) 13.086 9.101 ( -3.198 -7.878 3.652) 9.253 9.429 ( -8.879 -15.946 -0.350) 18.255 9.648 ( 1.947 -1.071 1.525) 2.695 10.682 ( 0.271 36.374 -2.674) 36.474 11.562 ( 1.321 10.526 5.105) 11.773 11.879 ( -7.232 12.333 4.462) 14.977 12.253 ( -1.831 0.303 -0.807) 2.024 12.785 ( 0.723 0.652 -1.545) 1.826 13.331 ( 1.179 -11.485 -1.629) 11.660 14.060 ( 7.703 -0.673 -3.525) 8.498 15.417 ( 9.039 -16.281 -10.802) 21.527 17.044 ( 1.962 -0.112 8.535) 8.758 19.423 ( 5.331 1.404 3.946) 6.779 19.573 ( 20.639 8.299 -7.759) 23.559 20.178 ( 6.321 10.943 5.893) 13.944 20.736 ( 1.046 -1.784 -13.143) 13.305 21.768 ( -30.548 -13.293 9.429) 34.624 23.826 ( 0.888 1.998 -0.088) 2.188 24.257 ( -3.471 -2.634 4.239) 6.079 ======================= Grid point 133 (57/361) ======================= q-point: (-0.20 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 10.471 22.038 17.036) 29.758 1.278 ( 2.324 24.979 15.537) 29.508 2.246 ( -6.195 39.974 22.557) 46.316 3.325 ( 0.624 -8.840 -0.269) 8.866 3.655 ( -4.174 -10.962 6.637) 13.477 3.706 ( -0.637 -0.621 3.870) 3.971 4.473 ( 5.052 -6.346 -6.650) 10.489 4.954 ( -20.023 -15.164 28.165) 37.738 4.981 ( -11.462 -11.513 6.393) 17.458 5.213 ( 2.114 -4.956 -5.339) 7.585 5.464 ( -0.170 -8.478 3.474) 9.163 5.766 ( -1.482 -1.014 8.093) 8.290 6.013 ( -0.494 -0.180 3.429) 3.469 6.666 ( -0.685 -0.262 -1.484) 1.655 7.152 ( -3.863 2.866 5.053) 6.976 7.960 ( -4.133 1.703 -9.298) 10.317 8.741 ( 5.946 2.315 -12.217) 13.783 9.175 ( -5.199 -16.379 5.581) 18.068 9.530 ( 0.119 -17.239 -0.405) 17.244 9.690 ( 0.583 3.056 2.348) 3.898 10.377 ( 4.151 30.037 0.776) 30.332 11.541 ( 0.433 13.414 6.005) 14.703 11.763 ( -5.833 9.495 9.511) 14.651 12.212 ( -0.067 0.429 -3.382) 3.410 12.813 ( 3.511 1.604 1.578) 4.170 13.375 ( -0.678 -7.941 -6.696) 10.409 13.880 ( -4.040 9.827 -19.043) 21.806 15.458 ( 2.683 -12.447 -16.239) 20.636 17.495 ( 8.716 -19.243 31.316) 37.775 19.327 ( -9.135 -3.343 -10.905) 14.613 19.743 ( 14.087 6.261 -2.688) 15.648 20.090 ( -6.355 8.206 -1.572) 10.498 20.715 ( 7.844 0.858 -3.641) 8.690 21.734 ( -9.903 -10.292 17.791) 22.815 23.822 ( 0.820 1.222 0.163) 1.481 24.118 ( -12.371 4.860 -8.612) 15.837 ======================= Grid point 134 (58/361) ======================= q-point: (-0.10 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 7.146 22.370 14.916) 27.820 1.529 ( 9.202 17.339 23.393) 30.537 2.420 ( 18.172 23.252 38.479) 48.493 3.406 ( 3.445 -6.702 -3.397) 8.266 3.699 ( -7.263 -2.339 7.659) 10.811 3.805 ( -1.576 -7.070 5.324) 8.989 4.509 ( 3.685 -7.874 -6.831) 11.057 4.979 ( -25.174 -6.889 21.276) 33.673 5.185 ( -1.689 -6.053 5.428) 8.304 5.284 ( 13.993 -3.415 -1.128) 14.447 5.515 ( -2.619 -5.421 -5.248) 7.987 5.894 ( -0.242 1.540 11.886) 11.988 6.113 ( -0.420 -13.068 8.087) 15.374 6.630 ( -3.567 0.017 0.430) 3.592 7.179 ( 0.648 -0.844 1.589) 1.913 7.672 ( -6.310 9.685 -11.613) 16.385 8.612 ( 0.861 10.352 -2.028) 10.584 9.368 ( -2.380 -15.058 5.172) 16.098 9.606 ( 1.929 3.266 -2.644) 4.623 9.652 ( -1.058 -0.444 -2.562) 2.807 10.363 ( 13.261 2.853 0.967) 13.599 11.450 ( 2.384 18.367 0.021) 18.521 11.793 ( -7.528 -1.073 14.857) 16.690 12.159 ( 2.296 0.919 -5.921) 6.416 12.827 ( 3.947 8.897 -4.424) 10.691 13.300 ( -0.220 1.245 -3.603) 3.819 13.546 ( -5.869 5.694 -5.544) 9.879 15.325 ( -4.368 -8.511 -18.463) 20.794 18.147 ( 3.934 -24.726 19.034) 31.451 19.030 ( -15.119 -6.224 -13.066) 20.930 19.647 ( -16.698 10.942 3.233) 20.223 19.901 ( -9.536 0.590 -2.433) 9.859 20.885 ( 16.677 -1.475 2.190) 16.884 22.071 ( 14.346 -11.079 8.645) 20.082 23.679 ( -10.613 17.287 -11.043) 23.096 23.843 ( 1.477 0.544 0.721) 1.731 ======================= Grid point 138 (59/361) ======================= q-point: ( 0.30 -0.70 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -4.118 -0.000 -1.307) 4.321 2.820 ( -15.451 -0.000 -7.027) 16.974 3.230 ( -8.332 -0.000 -6.281) 10.435 3.265 ( -1.221 -0.000 -4.664) 4.821 3.361 ( 2.324 0.000 6.595) 6.992 4.296 ( -7.773 -0.000 8.313) 11.381 4.604 ( 5.173 0.000 -4.926) 7.144 4.608 ( 7.231 0.000 -20.525) 21.761 4.780 ( -15.674 -0.000 -4.783) 16.388 5.145 ( -6.958 -0.000 3.478) 7.779 5.584 ( -12.062 -0.000 2.184) 12.258 5.945 ( -0.294 -0.000 -5.325) 5.333 6.369 ( -20.802 -0.000 15.939) 26.206 6.928 ( -9.741 -0.000 0.697) 9.766 7.073 ( 3.926 0.000 11.272) 11.936 7.952 ( -0.840 -0.000 -3.047) 3.161 7.952 ( 2.287 0.000 12.791) 12.994 9.187 ( -5.992 -0.000 4.306) 7.379 9.399 ( -9.230 -0.000 -3.418) 9.842 9.943 ( -3.560 -0.000 -12.712) 13.201 11.106 ( 19.558 0.000 8.360) 21.270 12.101 ( 8.867 0.000 -1.549) 9.001 12.279 ( 2.402 0.000 6.147) 6.600 12.337 ( 0.646 0.000 -1.419) 1.559 12.514 ( -6.751 -0.000 11.264) 13.132 13.052 ( 9.708 0.000 6.005) 11.415 13.418 ( -7.378 -0.000 -16.828) 18.374 14.476 ( 10.120 0.000 6.948) 12.276 17.730 ( -6.381 -0.000 -18.347) 19.425 18.471 ( 3.902 0.000 11.472) 12.117 19.322 ( 8.275 0.000 3.830) 9.118 19.457 ( 16.578 0.000 -5.890) 17.593 21.871 ( -1.100 -0.000 -22.568) 22.594 22.026 ( -12.169 -0.000 11.832) 16.973 23.619 ( 6.312 0.000 4.309) 7.642 24.046 ( -0.010 -0.000 3.286) 3.286 ======================= Grid point 140 (60/361) ======================= q-point: (-0.60 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( -7.172 12.567 -6.064) 15.689 2.533 ( -14.498 2.982 -4.761) 15.548 3.040 ( -7.899 -3.935 -5.775) 10.547 3.079 ( -9.625 -8.495 -5.406) 13.929 3.586 ( 5.033 -0.103 7.746) 9.238 4.216 ( -7.571 -2.905 -10.573) 13.325 4.321 ( -12.179 19.537 -1.863) 23.098 4.536 ( -0.480 -0.528 -1.415) 1.584 4.738 ( 1.966 -17.826 -5.369) 18.721 5.101 ( -11.576 -3.275 8.901) 14.966 5.414 ( -9.707 0.438 -4.918) 10.890 5.915 ( 3.587 1.013 -2.706) 4.606 6.188 ( -26.601 -0.318 9.466) 28.237 6.793 ( -8.539 0.975 0.808) 8.632 7.267 ( 3.697 1.427 10.749) 11.456 7.901 ( -0.803 -0.663 -2.365) 2.584 8.159 ( 3.733 -6.330 6.806) 10.016 9.131 ( -7.330 2.578 3.802) 8.651 9.268 ( -7.611 -5.660 -1.818) 9.658 9.754 ( -0.753 2.211 -10.131) 10.397 11.428 ( 13.609 0.387 5.189) 14.570 11.997 ( 4.592 32.187 1.625) 32.553 12.305 ( -2.173 1.462 -1.176) 2.871 12.385 ( -7.239 -0.013 4.187) 8.363 12.611 ( -2.111 -22.138 5.257) 22.851 13.118 ( -6.473 0.616 -14.035) 15.468 13.397 ( 17.916 -1.015 11.937) 21.553 14.710 ( 11.391 -5.272 1.885) 12.693 17.417 ( -5.557 -0.418 -17.702) 18.559 18.770 ( 11.065 -0.892 17.110) 20.396 19.520 ( 16.469 7.725 0.751) 18.207 19.647 ( 15.588 -5.670 -0.674) 16.601 21.499 ( -5.531 7.269 -20.853) 22.766 21.973 ( -18.612 -8.397 5.772) 21.219 23.753 ( 3.680 -0.453 5.002) 6.226 24.090 ( 1.170 1.317 3.746) 4.140 ======================= Grid point 141 (61/361) ======================= q-point: (-0.50 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -7.110 18.450 -1.970) 19.871 2.181 ( -14.350 14.160 -5.638) 20.934 3.002 ( -8.095 -12.973 -1.120) 15.332 3.021 ( -3.955 -13.650 1.401) 14.281 3.675 ( -1.034 -0.244 1.001) 1.460 3.791 ( -6.952 27.573 -9.084) 29.851 4.161 ( -4.443 -5.012 -0.064) 6.698 4.576 ( -0.623 -3.630 3.520) 5.094 4.877 ( -0.865 -17.337 -1.518) 17.425 5.045 ( -19.840 -4.713 7.300) 21.660 5.241 ( -4.445 -3.528 -2.974) 6.407 5.891 ( -22.051 0.167 3.820) 22.380 5.956 ( 2.663 1.184 0.305) 2.930 6.703 ( -4.892 -0.690 0.180) 4.944 7.378 ( -0.749 5.340 7.236) 9.025 7.904 ( 1.659 -6.005 -2.640) 6.766 8.336 ( 3.256 -6.664 4.559) 8.706 9.055 ( -6.704 0.720 3.384) 7.544 9.215 ( -6.666 -8.929 -2.447) 11.408 9.649 ( 1.609 2.321 -3.850) 4.775 11.598 ( 7.901 8.369 0.808) 11.538 11.758 ( 1.793 31.260 2.918) 31.447 12.208 ( -5.936 5.809 0.672) 8.333 12.308 ( -6.595 0.580 2.500) 7.077 12.855 ( 1.424 -16.415 -1.911) 16.587 12.905 ( -3.345 -3.981 -4.769) 7.056 13.787 ( 13.817 -1.800 10.093) 17.205 14.935 ( 10.690 -11.151 -3.299) 15.796 17.159 ( -3.369 0.723 -12.131) 12.611 19.172 ( 13.184 0.373 16.503) 21.126 19.627 ( 16.405 6.102 -9.129) 19.741 20.000 ( 19.571 -0.473 9.741) 21.866 21.083 ( -8.391 5.020 -20.349) 22.577 21.796 ( -24.513 -8.593 3.490) 26.209 23.841 ( 0.643 0.552 3.777) 3.871 24.155 ( 1.672 0.128 4.277) 4.594 ======================= Grid point 142 (62/361) ======================= q-point: (-0.40 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -7.944 22.894 1.684) 24.291 1.836 ( -4.538 21.954 5.611) 23.110 3.018 ( -4.915 -12.672 0.346) 13.596 3.174 ( -3.190 -13.785 1.641) 14.244 3.330 ( -5.768 27.762 2.286) 28.447 3.702 ( 1.206 1.974 0.915) 2.488 4.250 ( 5.300 -7.403 2.188) 9.364 4.646 ( -4.804 -5.889 6.786) 10.189 4.787 ( -19.434 -10.627 -1.909) 22.232 5.045 ( -0.143 -10.230 1.184) 10.299 5.239 ( -9.733 -7.602 7.183) 14.287 5.690 ( -10.170 -1.389 4.170) 11.079 6.012 ( 3.392 1.950 1.825) 4.318 6.661 ( -1.760 -2.299 -1.940) 3.485 7.337 ( -4.785 7.905 3.808) 9.995 7.963 ( 3.329 -6.867 -5.282) 9.282 8.509 ( 2.250 -8.239 6.744) 10.882 9.008 ( -4.427 -2.671 -1.266) 5.323 9.178 ( -5.568 -10.670 -2.172) 12.230 9.660 ( 2.219 1.392 3.280) 4.197 11.375 ( 2.065 37.597 -3.158) 37.786 11.716 ( 0.799 7.026 5.628) 9.037 12.078 ( -5.316 8.777 2.681) 10.606 12.255 ( -3.162 -0.078 0.194) 3.169 12.804 ( 1.313 1.282 -1.612) 2.442 13.067 ( 0.564 -17.826 -1.279) 17.881 14.023 ( 4.843 -2.527 1.280) 5.610 15.118 ( 8.363 -15.121 -9.096) 19.527 17.055 ( 1.502 0.939 1.580) 2.373 19.433 ( 1.544 0.193 2.256) 2.740 19.703 ( 20.763 5.659 -8.468) 23.127 20.366 ( 12.583 8.990 9.985) 18.408 20.708 ( -3.236 -1.021 -16.421) 16.768 21.578 ( -23.230 -8.037 7.510) 25.703 23.860 ( -0.902 1.624 1.713) 2.527 24.217 ( -1.108 -1.740 2.160) 2.986 ======================= Grid point 143 (63/361) ======================= q-point: (-0.30 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 6.257 21.891 11.323) 25.428 1.733 ( 1.973 24.272 14.090) 28.134 2.918 ( -1.635 29.222 6.027) 29.882 3.139 ( 0.089 -10.600 1.353) 10.687 3.428 ( -2.047 -10.454 10.362) 14.861 3.713 ( -0.998 0.577 2.201) 2.484 4.366 ( 4.445 -5.132 -8.424) 10.820 4.683 ( -20.645 -13.941 20.387) 32.191 4.778 ( 0.660 -10.746 4.143) 11.536 5.133 ( 5.276 -4.185 -0.963) 6.803 5.305 ( -4.309 -9.180 6.563) 12.079 5.723 ( -1.305 -2.709 8.441) 8.960 6.041 ( -0.632 2.353 2.479) 3.476 6.640 ( 0.215 -2.547 -3.295) 4.171 7.238 ( -4.158 6.737 2.819) 8.404 7.943 ( -1.238 -3.208 -9.021) 9.654 8.714 ( 3.572 -7.050 5.694) 9.741 8.928 ( -5.110 -7.236 -4.172) 9.791 9.244 ( 1.876 -13.136 -0.536) 13.281 9.736 ( 0.182 2.097 7.008) 7.317 11.010 ( 1.508 37.527 -2.960) 37.674 11.715 ( -3.024 6.682 6.811) 10.009 11.972 ( -2.592 11.091 4.048) 12.088 12.219 ( -0.437 0.412 -1.925) 2.016 12.850 ( 4.696 2.306 3.756) 6.440 13.175 ( -0.416 -13.981 -4.657) 14.742 13.966 ( -5.627 1.021 -10.359) 11.833 15.198 ( 4.094 -15.091 -14.999) 21.667 17.274 ( 7.310 -6.790 18.831) 21.311 19.280 ( -9.115 -1.933 -14.775) 17.468 19.841 ( 10.260 4.553 -2.539) 11.509 20.205 ( -10.581 3.972 -11.005) 15.775 20.791 ( 12.731 7.245 5.413) 15.616 21.581 ( -3.032 -7.440 14.014) 16.154 23.844 ( -1.216 1.107 0.596) 1.749 24.162 ( -6.379 0.891 -4.341) 7.767 ======================= Grid point 144 (64/361) ======================= q-point: (-0.20 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 6.722 23.163 12.997) 27.397 1.835 ( 12.797 16.509 15.199) 25.832 2.904 ( 11.566 26.544 24.220) 37.749 3.256 ( 2.588 -9.446 -2.018) 10.000 3.589 ( -5.630 -7.796 9.709) 13.665 3.724 ( -1.937 -2.178 2.776) 4.025 4.360 ( 3.140 -7.822 -6.818) 10.841 4.841 ( -13.911 -7.915 24.639) 29.381 4.998 ( 4.102 -13.382 4.657) 14.751 5.254 ( 9.809 -0.334 -0.289) 9.819 5.396 ( -1.293 -7.647 0.006) 7.756 5.880 ( 2.317 -4.206 11.014) 12.016 6.017 ( -4.802 2.009 3.695) 6.384 6.626 ( -0.312 -0.918 -1.949) 2.176 7.182 ( -2.261 1.659 0.748) 2.903 7.764 ( -4.887 2.018 -10.923) 12.135 8.754 ( 4.025 5.786 -3.958) 8.084 9.038 ( -4.170 -20.111 6.344) 21.496 9.427 ( 6.567 -13.323 -1.139) 14.897 9.769 ( -1.364 6.403 5.779) 8.732 10.695 ( 2.749 29.424 -1.784) 29.606 11.670 ( -6.176 5.694 4.793) 9.671 11.905 ( -1.374 11.628 6.072) 13.189 12.178 ( 2.176 1.224 -5.260) 5.822 12.948 ( 6.197 4.802 1.751) 8.033 13.216 ( -0.030 -8.460 -2.443) 8.806 13.667 ( -10.174 5.072 -9.857) 15.047 15.130 ( -1.567 -12.421 -18.847) 22.626 17.768 ( 7.063 -16.076 21.981) 28.133 18.931 ( -12.960 -4.558 -17.160) 21.982 19.786 ( -13.143 4.243 3.978) 14.373 19.920 ( -7.329 1.607 -9.977) 12.483 20.951 ( 14.019 8.228 3.307) 16.588 21.917 ( 14.662 -7.012 11.033) 19.643 23.818 ( -2.800 0.382 -1.676) 3.285 23.930 ( -6.348 7.622 -7.247) 12.285 ======================= Grid point 145 (65/361) ======================= q-point: (-0.10 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 8.486 19.655 11.509) 24.307 2.091 ( 9.540 15.149 22.616) 28.844 3.277 ( 14.639 6.607 12.641) 20.439 3.347 ( 8.903 -2.238 3.700) 9.898 3.681 ( -3.903 -2.841 13.736) 14.559 3.774 ( 0.261 -7.155 -1.298) 7.276 4.425 ( 5.913 -5.726 -4.668) 9.463 4.948 ( -8.532 3.811 12.128) 15.310 5.140 ( -4.410 -5.513 3.935) 8.083 5.384 ( -1.431 -2.281 -5.123) 5.787 5.491 ( 9.355 -7.212 11.562) 16.529 5.976 ( -6.836 0.900 5.666) 8.925 6.157 ( 6.367 -9.555 12.028) 16.629 6.584 ( -4.918 1.367 1.078) 5.217 7.092 ( -5.297 -1.351 -8.444) 10.059 7.607 ( 2.826 3.848 -4.136) 6.317 8.702 ( -1.911 7.896 1.949) 8.355 9.197 ( -4.262 -17.154 0.341) 17.679 9.567 ( 0.147 -4.961 -0.591) 4.998 9.780 ( 5.514 8.926 6.016) 12.095 10.543 ( 5.734 10.846 -2.053) 12.439 11.556 ( -6.170 4.447 -0.671) 7.635 11.856 ( -2.417 8.563 5.111) 10.261 12.156 ( 6.180 0.724 -5.224) 8.124 12.923 ( 2.717 10.258 -3.630) 11.215 13.282 ( -2.239 -4.769 -0.978) 5.359 13.466 ( -2.557 2.529 4.380) 5.667 14.918 ( -6.648 -8.702 -20.473) 23.218 18.195 ( -1.311 -14.651 12.374) 19.222 18.661 ( -2.435 -7.271 -12.422) 14.598 19.537 ( -21.752 12.358 6.676) 25.893 19.684 ( -9.258 -2.335 -7.395) 12.077 21.146 ( 14.344 0.576 2.068) 14.503 22.297 ( 16.693 -4.728 2.536) 17.534 23.591 ( -4.095 11.399 -7.728) 14.368 23.864 ( 0.169 -1.049 0.743) 1.297 ======================= Grid point 150 (66/361) ======================= q-point: ( 0.40 -0.60 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -6.502 -0.000 -3.303) 7.292 2.342 ( -10.310 -0.000 -1.301) 10.392 2.848 ( -9.049 -0.000 -2.602) 9.416 2.866 ( -6.422 -0.000 0.154) 6.423 3.673 ( -0.866 -0.000 1.302) 1.564 4.021 ( 1.562 0.000 -11.454) 11.560 4.202 ( -11.101 -0.000 -2.387) 11.355 4.554 ( -1.073 -0.000 -2.221) 2.467 4.636 ( 2.146 0.000 6.385) 6.736 5.000 ( -21.319 -0.000 10.638) 23.826 5.210 ( -5.799 -0.000 -5.657) 8.101 5.893 ( -24.350 -0.000 3.981) 24.673 5.968 ( 4.976 0.000 -0.096) 4.976 6.694 ( -5.701 -0.000 -0.528) 5.725 7.446 ( 3.290 0.000 7.254) 7.965 7.825 ( -1.012 -0.000 -4.513) 4.625 8.279 ( 2.530 0.000 7.694) 8.099 9.074 ( -7.549 -0.000 1.827) 7.766 9.119 ( -5.566 -0.000 -1.930) 5.891 9.673 ( 0.966 0.000 -4.269) 4.377 11.642 ( 8.288 0.000 3.757) 9.100 12.250 ( 0.667 0.000 -5.219) 5.262 12.293 ( -7.130 -0.000 1.788) 7.351 12.318 ( 1.900 0.000 3.542) 4.020 12.464 ( -5.014 -0.000 5.348) 7.330 12.905 ( -3.022 -0.000 -8.715) 9.224 13.769 ( 13.520 0.000 10.083) 16.866 14.827 ( 10.358 0.000 -3.702) 10.999 17.166 ( -3.199 -0.000 -11.364) 11.806 19.176 ( 13.168 0.000 17.382) 21.806 19.689 ( 15.887 0.000 -12.591) 20.271 19.989 ( 21.810 0.000 13.024) 25.402 21.137 ( -9.071 -0.000 -23.619) 25.301 21.711 ( -23.449 -0.000 5.550) 24.096 23.846 ( 0.397 0.000 5.011) 5.026 24.156 ( 1.605 0.000 2.561) 3.022 ======================= Grid point 152 (67/361) ======================= q-point: (-0.50 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -5.076 14.417 2.607) 15.506 2.169 ( -3.727 12.429 5.740) 14.188 2.788 ( -5.333 -9.944 2.011) 11.461 2.890 ( -3.674 -12.335 4.132) 13.517 3.629 ( -2.255 2.859 -0.976) 3.770 3.883 ( 4.668 15.420 -7.951) 17.967 4.125 ( 2.697 -6.330 -0.323) 6.888 4.566 ( -2.661 -2.047 5.879) 6.770 4.652 ( -18.958 -4.384 -1.508) 19.517 4.882 ( 0.210 -6.114 6.159) 8.681 5.136 ( -12.175 -3.144 8.087) 14.950 5.674 ( -10.229 -0.361 2.982) 10.661 6.038 ( 3.212 0.762 1.865) 3.792 6.622 ( -2.255 -1.406 -2.941) 3.964 7.491 ( -1.019 7.501 2.535) 7.983 7.816 ( 1.713 -7.377 -3.186) 8.216 8.401 ( -0.603 -3.233 7.252) 7.963 8.987 ( -5.260 -0.134 -0.347) 5.274 9.049 ( -2.767 -3.584 -2.963) 5.412 9.681 ( 1.556 0.710 3.131) 3.567 11.752 ( 3.329 3.094 2.678) 5.275 12.073 ( 0.712 29.628 -2.519) 29.744 12.186 ( -3.045 3.356 -0.492) 4.558 12.263 ( -5.758 2.811 4.522) 7.842 12.663 ( -0.015 -25.594 -0.833) 25.608 12.830 ( 1.234 0.377 -0.902) 1.574 13.987 ( 3.924 -1.150 2.930) 5.030 14.913 ( 8.165 -6.256 -8.392) 13.276 17.069 ( 1.542 0.459 -0.741) 1.772 19.435 ( 0.888 0.047 1.401) 1.660 19.774 ( 20.107 2.027 -9.727) 22.428 20.481 ( 19.970 3.220 15.148) 25.272 20.702 ( -8.986 0.162 -20.733) 22.597 21.474 ( -20.852 -3.144 7.282) 22.309 23.881 ( -2.220 0.636 3.190) 3.938 24.195 ( 0.223 -0.657 0.582) 0.905 ======================= Grid point 153 (68/361) ======================= q-point: (-0.40 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 2.032 17.653 6.045) 18.769 2.148 ( 1.669 20.684 15.481) 25.889 2.901 ( 0.384 -11.825 4.211) 12.558 3.019 ( -3.370 -13.990 3.586) 14.831 3.570 ( 4.627 14.956 4.045) 16.170 3.758 ( 0.401 8.514 -0.244) 8.527 4.278 ( 6.340 -5.833 -7.745) 11.585 4.426 ( -12.023 -13.052 5.251) 18.506 4.651 ( -4.388 -2.349 11.099) 12.164 5.067 ( 7.194 -2.850 2.930) 8.274 5.133 ( -9.838 -9.061 11.411) 17.582 5.686 ( -0.070 -1.218 7.087) 7.191 6.079 ( -0.403 1.538 2.857) 3.270 6.586 ( 1.077 -2.819 -4.390) 5.327 7.388 ( -4.091 8.844 0.334) 9.750 7.861 ( 1.811 -5.126 -5.553) 7.771 8.515 ( -4.865 -10.907 7.757) 14.240 8.908 ( -1.177 1.786 -3.739) 4.307 9.063 ( 2.527 -6.728 -1.012) 7.258 9.767 ( 0.699 1.240 8.449) 8.568 11.677 ( 2.473 30.271 -4.544) 30.710 11.820 ( -5.331 8.799 4.133) 11.087 12.121 ( -0.392 4.779 0.026) 4.795 12.236 ( -2.135 1.818 2.746) 3.925 12.835 ( 0.819 -17.109 -3.706) 17.525 12.910 ( 3.897 -2.435 5.870) 7.454 13.959 ( -6.575 -0.995 -5.731) 8.778 14.951 ( 4.733 -10.676 -13.215) 17.636 17.202 ( 6.853 -1.858 11.565) 13.570 19.254 ( -8.872 -0.942 -17.341) 19.502 19.908 ( 9.982 2.699 -3.806) 11.019 20.242 ( -12.927 0.689 -17.421) 21.704 20.950 ( 16.853 8.968 14.121) 23.746 21.449 ( -3.077 -6.886 12.098) 14.257 23.860 ( -3.175 0.623 1.002) 3.387 24.168 ( -3.023 -0.004 -2.995) 4.256 ======================= Grid point 154 (69/361) ======================= q-point: (-0.30 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 9.186 14.140 11.399) 20.353 2.185 ( 5.747 21.530 11.414) 25.037 3.071 ( 3.406 -9.878 1.039) 10.500 3.158 ( 2.140 -4.384 9.103) 10.327 3.622 ( 7.397 12.253 9.163) 16.995 3.699 ( -4.652 2.960 3.602) 6.586 4.236 ( 1.707 -5.650 -4.074) 7.171 4.669 ( 5.288 -13.818 8.025) 16.831 4.776 ( -5.971 -6.654 15.865) 18.210 5.227 ( 1.086 -8.717 4.416) 9.832 5.262 ( 5.190 -0.832 4.168) 6.708 5.819 ( 2.421 -1.907 8.245) 8.802 6.071 ( -3.487 2.658 3.955) 5.905 6.594 ( 3.077 -2.346 -3.294) 5.082 7.246 ( -5.448 4.987 -1.678) 7.574 7.788 ( -1.602 1.609 -8.199) 8.508 8.663 ( -6.688 -20.095 5.317) 21.835 8.849 ( 3.395 4.911 -2.379) 6.427 9.213 ( 7.380 -9.610 0.814) 12.145 9.864 ( -0.787 4.020 10.381) 11.159 11.310 ( 0.822 35.656 -5.608) 36.104 11.732 ( -9.727 2.076 3.200) 10.448 12.092 ( 2.682 6.561 1.035) 7.163 12.217 ( 0.144 3.783 -0.297) 3.797 12.922 ( 0.748 -12.425 -5.567) 13.636 13.100 ( 6.371 0.312 10.370) 12.175 13.713 ( -12.986 0.411 -9.125) 15.877 14.898 ( 0.241 -12.001 -17.870) 21.527 17.557 ( 8.640 -7.560 18.418) 21.703 18.865 ( -12.323 -2.761 -19.930) 23.594 19.825 ( -13.873 0.917 -5.317) 14.885 19.949 ( -1.457 1.167 -7.941) 8.157 21.152 ( 9.959 12.796 6.956) 17.644 21.787 ( 13.971 -7.692 13.139) 20.663 23.813 ( -3.584 -0.449 -0.718) 3.683 24.032 ( -4.606 3.688 -6.476) 8.761 ======================= Grid point 155 (70/361) ======================= q-point: (-0.20 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 5.500 21.004 7.248) 22.891 2.318 ( 13.132 9.893 15.264) 22.434 3.185 ( 3.652 -6.737 -2.721) 8.132 3.373 ( 4.015 -5.474 6.303) 9.264 3.643 ( -4.275 -6.915 -2.941) 8.645 3.797 ( 10.065 15.918 20.429) 27.786 4.340 ( 9.216 -3.697 -1.047) 9.985 4.945 ( 1.477 -8.164 8.769) 12.072 4.987 ( -5.101 -7.430 17.671) 19.837 5.294 ( -4.649 -6.786 1.865) 8.434 5.413 ( 7.921 -0.527 3.317) 8.604 5.962 ( 1.106 -1.792 2.832) 3.529 6.086 ( 0.488 0.427 10.440) 10.460 6.611 ( 1.129 1.011 -1.042) 1.839 7.083 ( -7.304 0.519 -7.347) 10.372 7.657 ( 1.499 2.987 -5.174) 6.160 8.745 ( -6.571 -11.192 -1.941) 13.123 8.900 ( 2.750 -5.722 3.183) 7.101 9.425 ( 6.120 -9.047 1.593) 11.038 9.933 ( 0.632 7.697 10.462) 13.003 10.951 ( 1.472 30.136 -5.072) 30.595 11.567 ( -14.192 -0.633 -1.246) 14.260 12.085 ( 1.773 12.341 4.166) 13.145 12.172 ( 5.023 1.612 -5.937) 7.942 12.957 ( 0.908 -7.578 -4.655) 8.940 13.257 ( -2.211 3.100 1.453) 4.075 13.490 ( -3.731 -0.148 4.839) 6.112 14.733 ( -4.063 -10.999 -20.476) 23.596 17.967 ( 4.424 -10.047 15.281) 18.816 18.542 ( -5.422 -5.430 -13.945) 15.917 19.572 ( -14.534 -3.253 -2.325) 15.074 19.781 ( -9.733 7.729 -2.326) 12.644 21.234 ( 10.898 8.642 -0.429) 13.915 22.210 ( 15.453 -5.129 9.515) 18.858 23.723 ( -4.068 2.568 -5.048) 6.973 23.874 ( -1.623 2.844 -3.464) 4.766 ======================= Grid point 156 (71/361) ======================= q-point: (-0.10 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 3.433 12.982 5.730) 14.600 2.636 ( 12.452 10.818 19.433) 25.490 3.235 ( 1.985 -5.315 -4.645) 7.333 3.464 ( -2.962 -5.267 1.148) 6.151 3.611 ( -1.472 -9.102 -7.380) 11.810 4.164 ( 17.122 8.610 21.013) 28.440 4.471 ( 11.537 0.563 -6.001) 13.016 4.990 ( -2.971 3.419 -0.804) 4.600 5.145 ( -6.542 0.109 14.515) 15.921 5.288 ( -2.894 -2.421 -2.044) 4.291 5.633 ( -6.219 -11.433 17.609) 21.897 5.997 ( 2.841 1.216 5.235) 6.079 6.314 ( 4.356 -7.263 9.834) 12.978 6.540 ( -6.903 5.849 -0.467) 9.059 6.869 ( -4.686 -1.310 -9.813) 10.953 7.695 ( 9.938 0.388 -0.258) 9.949 8.661 ( -12.471 -2.363 0.215) 12.695 9.045 ( 2.052 -10.083 1.952) 10.474 9.517 ( -1.466 -1.345 -1.044) 2.247 10.046 ( 6.842 5.140 9.327) 12.658 10.716 ( 4.621 19.215 -2.234) 19.888 11.329 ( -15.213 -6.061 -6.641) 17.671 12.024 ( 3.285 12.875 2.270) 13.480 12.210 ( 7.586 0.204 -3.092) 8.194 12.972 ( 0.813 -0.041 -0.965) 1.262 13.079 ( -11.189 -2.801 -4.516) 12.386 13.672 ( 7.316 3.617 12.410) 14.853 14.494 ( -6.391 -8.339 -18.745) 21.488 18.120 ( -5.863 -5.059 1.218) 7.839 18.563 ( 10.127 -10.571 -2.526) 14.855 19.407 ( -17.192 0.202 6.720) 18.460 19.476 ( -9.708 10.436 -7.604) 16.155 21.318 ( 9.598 0.085 -2.481) 9.914 22.516 ( 11.384 -0.039 4.101) 12.101 23.572 ( 0.735 7.216 -5.429) 9.060 23.841 ( -1.226 -2.922 -0.192) 3.175 ======================= Grid point 162 (72/361) ======================= q-point: (-0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -0.041 -0.000 2.811) 2.811 2.398 ( 1.018 0.000 18.501) 18.529 2.761 ( 0.904 0.000 6.215) 6.280 2.820 ( -2.373 -0.000 3.416) 4.159 3.651 ( 1.090 -0.000 1.329) 1.719 4.028 ( 17.233 0.000 -12.285) 21.164 4.083 ( 0.656 -0.000 5.633) 5.671 4.314 ( -17.559 -0.000 -2.992) 17.812 4.652 ( -1.062 -0.000 10.669) 10.721 5.022 ( -1.450 -0.000 13.479) 13.557 5.047 ( -4.443 -0.000 6.071) 7.523 5.676 ( 0.540 -0.000 6.592) 6.614 6.093 ( -0.347 -0.000 2.959) 2.979 6.557 ( 1.425 -0.000 -4.711) 4.922 7.494 ( -4.214 -0.000 -3.127) 5.248 7.796 ( 3.601 -0.000 0.012) 3.601 8.404 ( -7.292 -0.000 4.575) 8.608 8.935 ( -0.422 -0.000 -0.726) 0.840 8.997 ( 2.103 -0.000 -1.903) 2.836 9.778 ( 0.991 -0.000 8.671) 8.728 11.810 ( -2.602 -0.000 3.332) 4.228 12.135 ( 2.010 0.000 -6.164) 6.484 12.191 ( -1.516 -0.000 0.064) 1.518 12.371 ( -3.619 0.000 -2.815) 4.584 12.419 ( -0.277 -0.000 3.194) 3.206 12.919 ( 5.233 -0.000 6.925) 8.679 13.948 ( -6.909 -0.000 -4.470) 8.229 14.848 ( 4.945 -0.000 -12.524) 13.465 17.188 ( 6.751 -0.000 9.405) 11.577 19.246 ( -8.738 -0.000 -18.275) 20.256 19.934 ( 10.509 -0.000 -4.564) 11.457 20.246 ( -13.996 -0.000 -18.831) 23.462 21.053 ( 21.885 -0.000 18.397) 28.590 21.368 ( -7.193 -0.000 9.918) 12.251 23.866 ( -4.013 -0.000 1.173) 4.181 24.168 ( -1.826 -0.000 -2.719) 3.275 ======================= Grid point 164 (73/361) ======================= q-point: (-0.40 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 6.591 6.691 5.641) 10.956 2.546 ( 0.666 16.068 14.433) 21.609 2.917 ( 5.034 -5.674 4.875) 9.017 2.964 ( 3.024 -12.048 7.933) 14.739 3.639 ( -3.390 -1.140 -2.255) 4.228 4.013 ( 9.158 18.239 3.528) 20.712 4.161 ( 1.168 -2.021 -1.590) 2.825 4.377 ( 9.529 -16.151 5.801) 19.629 4.752 ( -3.179 1.820 11.541) 12.108 5.061 ( -9.091 -7.042 13.875) 18.021 5.265 ( 11.245 0.175 4.867) 12.254 5.802 ( 3.303 -0.306 7.486) 8.189 6.103 ( -3.056 0.865 3.653) 4.841 6.556 ( 4.983 -1.287 -3.720) 6.350 7.330 ( -7.434 2.967 -5.915) 9.953 7.844 ( 3.287 3.766 -1.488) 5.216 8.352 ( -10.710 -11.656 1.988) 15.954 8.932 ( 2.936 3.758 -0.366) 4.783 9.079 ( 6.361 -4.947 1.390) 8.178 9.914 ( 0.424 1.377 11.814) 11.901 11.754 ( -10.095 0.717 2.010) 10.318 11.924 ( 0.959 28.312 -9.467) 29.869 12.144 ( 4.603 0.592 -5.601) 7.274 12.298 ( -1.609 3.699 6.007) 7.236 12.587 ( -1.117 -20.996 -1.780) 21.101 13.133 ( 7.849 1.390 12.736) 15.025 13.707 ( -14.547 -0.497 -8.437) 16.824 14.733 ( 1.042 -5.093 -16.799) 17.585 17.473 ( 9.136 -2.065 15.547) 18.151 18.831 ( -11.961 -0.939 -21.460) 24.586 19.835 ( -13.477 0.252 -13.856) 19.330 19.960 ( 0.260 0.215 -3.217) 3.235 21.383 ( 6.833 11.318 7.739) 15.320 21.631 ( 14.765 -8.897 15.977) 23.504 23.807 ( -4.548 -0.226 -0.725) 4.611 24.074 ( -3.070 1.079 -5.735) 6.594 ======================= Grid point 165 (74/361) ======================= q-point: (-0.30 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 12.212 6.634 11.243) 17.876 2.515 ( 1.450 15.618 3.302) 16.029 3.084 ( 6.906 -3.807 0.746) 7.921 3.229 ( 5.418 -8.948 6.890) 12.526 3.530 ( -8.712 -4.955 -4.501) 10.987 4.098 ( 7.382 13.695 15.155) 21.719 4.296 ( 14.805 -0.431 -0.694) 14.827 4.724 ( 7.137 -12.145 8.559) 16.483 4.871 ( -3.722 -5.560 14.059) 15.569 5.185 ( -6.982 -5.135 12.449) 15.169 5.433 ( 7.517 1.763 1.706) 7.907 5.942 ( 4.388 -0.434 4.826) 6.536 6.105 ( -2.945 0.980 6.503) 7.205 6.615 ( 6.554 -0.356 -2.184) 6.918 7.105 ( -8.544 1.503 -8.368) 12.053 7.758 ( -0.323 8.778 -3.176) 9.341 8.388 ( -9.008 -20.955 0.321) 22.811 8.943 ( 4.119 4.305 0.346) 5.968 9.274 ( 7.833 -6.991 3.527) 11.075 10.047 ( 0.224 4.466 12.621) 13.390 11.506 ( -6.950 17.260 -9.533) 20.906 11.591 ( -8.201 14.641 -2.045) 16.906 12.157 ( 7.050 -0.780 -6.010) 9.296 12.304 ( -0.574 8.076 4.744) 9.384 12.717 ( -1.029 -16.957 -2.373) 17.153 13.327 ( -8.032 3.309 -1.628) 8.838 13.469 ( 0.630 -1.715 9.548) 9.721 14.549 ( -2.666 -8.110 -20.094) 21.832 17.832 ( 7.480 -4.776 15.737) 18.067 18.468 ( -7.131 -2.714 -15.086) 16.906 19.522 ( -11.226 -1.915 -8.571) 14.253 19.876 ( -7.167 2.945 -0.399) 7.759 21.422 ( 7.727 10.367 -1.550) 13.022 22.107 ( 13.650 -5.863 15.511) 21.477 23.727 ( -4.735 -0.715 -2.130) 5.241 23.936 ( -1.550 2.789 -7.135) 7.816 ======================= Grid point 166 (75/361) ======================= q-point: (-0.20 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -3.117 10.989 -3.323) 11.896 2.774 ( 14.707 4.895 13.887) 20.811 3.172 ( 2.040 -1.313 -3.761) 4.476 3.369 ( -2.795 -4.830 -0.027) 5.581 3.467 ( 3.069 -6.406 -1.416) 7.243 4.340 ( 7.709 9.195 21.680) 24.779 4.487 ( 18.535 1.484 -8.142) 20.299 4.961 ( -1.170 -4.464 7.862) 9.116 5.076 ( -3.696 -11.745 11.552) 16.884 5.237 ( -7.333 0.535 9.704) 12.175 5.510 ( -1.785 -1.770 5.193) 5.769 6.029 ( 2.491 2.195 5.110) 6.094 6.212 ( 1.795 -4.238 7.894) 9.138 6.649 ( 1.197 5.320 -1.404) 5.631 6.864 ( -5.395 0.452 -9.778) 11.177 7.702 ( 5.323 1.813 -0.697) 5.666 8.427 ( -11.680 -19.253 -1.269) 22.554 8.989 ( 4.541 1.597 1.780) 5.132 9.464 ( 4.388 -3.966 2.316) 6.352 10.154 ( 1.613 6.201 10.679) 12.454 11.147 ( -1.748 17.596 -10.133) 20.380 11.285 ( -14.302 9.113 -3.491) 17.314 12.194 ( 6.330 0.221 -5.167) 8.174 12.260 ( 0.439 9.575 3.326) 10.145 12.803 ( -2.612 -13.597 -2.914) 14.149 13.090 ( -10.323 -0.124 -2.460) 10.613 13.738 ( 8.021 3.319 14.699) 17.071 14.325 ( -4.114 -9.343 -19.064) 21.625 18.062 ( -1.056 -1.507 4.721) 5.067 18.383 ( 5.783 -8.571 -2.402) 10.615 19.345 ( -7.338 -3.157 -2.381) 8.336 19.683 ( -13.448 8.368 0.812) 15.860 21.392 ( 8.034 7.160 -7.244) 12.972 22.491 ( 9.634 -2.632 12.464) 15.972 23.639 ( -2.732 0.053 -3.151) 4.171 23.826 ( 0.312 1.432 -5.565) 5.755 ======================= Grid point 167 (76/361) ======================= q-point: (-0.10 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -5.652 0.058 -4.752) 7.385 2.984 ( -3.503 -4.332 -5.437) 7.785 3.144 ( 2.651 0.128 7.600) 8.050 3.400 ( -0.001 -0.769 2.692) 2.800 3.568 ( 8.944 2.627 -0.461) 9.333 4.509 ( 4.630 1.975 -8.480) 9.861 4.663 ( 14.258 6.175 8.348) 17.639 4.960 ( -4.455 3.435 0.589) 5.656 5.196 ( -4.842 -4.155 7.404) 9.774 5.250 ( -4.486 2.928 4.871) 7.240 5.537 ( -14.031 -10.097 9.323) 19.640 6.161 ( 1.049 -0.581 7.114) 7.214 6.323 ( -5.305 -6.087 2.404) 8.424 6.522 ( -0.837 6.394 3.516) 7.345 6.792 ( 1.602 2.001 1.057) 2.773 7.867 ( 15.058 -3.540 0.238) 15.471 8.368 ( -16.805 -12.933 1.279) 21.244 9.082 ( 3.700 -1.161 2.591) 4.664 9.486 ( -1.220 2.959 -1.582) 3.570 10.249 ( 2.452 4.031 5.388) 7.162 10.895 ( -9.979 -7.040 -11.104) 16.506 11.007 ( 1.409 20.023 0.865) 20.091 12.171 ( -0.463 5.360 1.825) 5.682 12.277 ( 4.292 -0.007 -1.297) 4.484 12.812 ( -3.212 -9.325 -3.262) 10.388 13.019 ( -1.644 1.561 3.499) 4.169 13.862 ( -1.532 0.297 -5.756) 5.964 14.246 ( 5.107 -3.057 2.219) 6.352 18.047 ( -1.532 0.847 -0.728) 1.895 18.581 ( 9.556 -10.773 -3.325) 14.779 19.308 ( -3.890 -1.194 4.982) 6.433 19.370 ( -14.176 13.576 -1.351) 19.675 21.366 ( 6.831 -0.130 -7.994) 10.516 22.716 ( 3.651 3.306 8.172) 9.542 23.591 ( 1.929 1.462 -2.018) 3.151 23.781 ( -0.105 -2.803 -2.734) 3.917 ======================= Grid point 174 (77/361) ======================= q-point: (-0.40 0.60 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 13.034 0.000 8.336) 15.472 2.690 ( -5.920 -0.000 0.864) 5.982 3.077 ( 12.114 0.000 4.914) 13.073 3.093 ( 7.460 0.000 8.404) 11.238 3.482 ( -10.272 -0.000 -5.528) 11.665 4.207 ( -2.773 -0.000 19.087) 19.287 4.338 ( 26.136 0.000 -13.674) 29.496 4.582 ( 7.994 0.000 17.270) 19.031 4.820 ( -2.884 -0.000 4.846) 5.639 5.130 ( -7.684 -0.000 20.449) 21.845 5.452 ( 7.248 0.000 2.048) 7.532 5.939 ( 4.638 0.000 5.534) 7.220 6.115 ( -3.467 -0.000 5.329) 6.357 6.609 ( 8.582 0.000 -2.590) 8.964 7.121 ( -8.785 -0.000 -9.415) 12.877 7.929 ( 3.923 0.000 -0.677) 3.981 8.102 ( -14.531 -0.000 -0.551) 14.541 8.996 ( 3.304 0.000 -0.382) 3.326 9.198 ( 8.477 0.000 4.616) 9.652 10.088 ( 0.660 0.000 13.157) 13.173 11.543 ( -17.088 -0.000 -4.554) 17.684 12.038 ( 4.039 0.000 -8.059) 9.015 12.042 ( 5.050 0.000 -13.828) 14.722 12.382 ( -0.383 -0.000 6.449) 6.460 12.481 ( -2.292 -0.000 4.522) 5.069 13.361 ( -17.581 -0.000 -7.990) 19.312 13.447 ( 9.171 0.000 16.264) 18.672 14.470 ( -2.261 -0.000 -19.873) 20.001 17.789 ( 8.368 0.000 15.578) 17.683 18.443 ( -7.608 -0.000 -15.481) 17.250 19.505 ( -10.165 -0.000 -10.547) 14.648 19.901 ( -6.223 -0.000 -0.143) 6.224 21.537 ( 6.861 0.000 -3.643) 7.768 22.038 ( 12.766 0.000 19.677) 23.455 23.719 ( -5.205 -0.000 -1.825) 5.516 23.962 ( -1.222 -0.000 -7.741) 7.836 ======================= Grid point 176 (78/361) ======================= q-point: (-0.30 0.60 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -8.658 3.579 -10.430) 14.020 2.833 ( 15.782 1.696 10.747) 19.169 3.187 ( -8.204 1.898 -5.062) 9.825 3.304 ( 2.605 -1.046 3.009) 4.115 3.371 ( 13.097 -4.490 4.108) 14.442 4.458 ( -1.090 3.545 23.833) 24.120 4.527 ( 25.050 2.085 -11.723) 27.735 4.851 ( -3.835 -8.652 4.592) 10.520 4.901 ( 3.900 -1.783 15.543) 16.124 5.249 ( -9.375 0.120 14.373) 17.161 5.511 ( -0.850 0.575 1.088) 1.496 6.073 ( 3.745 2.322 6.398) 7.769 6.148 ( -1.422 -2.715 5.822) 6.580 6.719 ( 9.913 2.132 -1.379) 10.233 6.871 ( -6.749 0.194 -11.055) 12.954 7.804 ( -5.112 9.776 0.064) 11.032 8.076 ( -7.128 -17.493 -0.720) 18.903 9.028 ( 3.880 1.674 -0.478) 4.252 9.400 ( 7.901 -2.316 5.173) 9.724 10.241 ( 0.682 2.746 11.303) 11.652 11.183 ( -19.752 -0.819 -10.372) 22.325 11.752 ( 2.668 26.883 -8.498) 28.321 12.125 ( 7.013 -9.694 -7.650) 14.201 12.398 ( -4.607 4.358 3.482) 7.235 12.551 ( -3.513 -10.747 2.303) 11.539 13.074 ( -10.974 -0.849 -2.637) 11.319 13.782 ( 8.494 1.247 16.285) 18.410 14.191 ( -3.132 -4.265 -19.799) 20.494 18.055 ( 3.934 0.276 9.387) 10.182 18.267 ( 0.804 -3.664 -5.331) 6.518 19.307 ( -4.508 -1.010 -4.516) 6.460 19.776 ( -11.492 2.257 1.634) 11.825 21.521 ( 7.338 5.003 -10.485) 13.741 22.438 ( 7.482 -2.259 18.995) 20.540 23.620 ( -5.626 -1.026 -2.039) 6.071 23.858 ( 2.201 1.235 -8.633) 8.995 ======================= Grid point 177 (79/361) ======================= q-point: (-0.20 -0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -11.352 -0.851 -13.714) 17.823 2.861 ( -17.423 -6.612 -10.387) 21.335 3.175 ( 10.156 2.160 9.742) 14.238 3.435 ( 5.972 4.349 5.010) 8.926 3.622 ( 14.913 1.639 2.054) 15.143 4.543 ( 6.515 2.455 -11.955) 13.834 4.748 ( 9.124 2.396 6.701) 11.571 4.998 ( -5.349 -6.990 16.221) 18.455 5.059 ( -4.990 -0.545 5.399) 7.372 5.261 ( -7.727 -1.591 12.460) 14.747 5.450 ( -7.022 -0.453 -0.270) 7.042 6.141 ( -0.525 -1.301 4.629) 4.837 6.249 ( -3.680 -2.096 2.615) 4.977 6.643 ( 0.441 5.830 -0.847) 5.908 6.851 ( 5.956 3.887 1.566) 7.282 7.775 ( 3.262 -5.768 2.298) 7.014 8.092 ( -9.663 -13.540 -0.751) 16.652 9.080 ( 4.906 0.324 0.595) 4.953 9.535 ( 3.016 1.842 1.753) 3.945 10.341 ( 1.654 5.029 7.335) 9.046 10.777 ( -19.020 -4.548 -12.181) 23.040 11.460 ( 4.131 26.321 -5.457) 27.197 12.218 ( 4.803 -2.089 -2.719) 5.901 12.267 ( -10.452 -0.319 0.224) 10.459 12.620 ( -1.743 -10.923 0.830) 11.092 13.024 ( -0.051 -0.080 3.837) 3.838 13.837 ( -5.276 -2.514 -13.819) 15.003 14.205 ( 10.627 -1.172 11.324) 15.573 18.096 ( 0.545 4.241 0.370) 4.292 18.390 ( 7.225 -9.624 -0.160) 12.035 19.287 ( 1.657 -0.666 2.618) 3.169 19.566 ( -15.649 7.024 2.165) 17.289 21.418 ( 6.783 4.554 -13.774) 16.014 22.746 ( 2.139 0.254 16.859) 16.996 23.546 ( -4.885 -4.113 -0.494) 6.405 23.790 ( 4.969 1.987 -8.167) 9.764 ======================= Grid point 178 (80/361) ======================= q-point: (-0.10 -0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -12.025 -9.931 -11.829) 19.574 2.548 ( -20.961 -14.288 -9.439) 27.067 3.335 ( 5.385 5.193 2.791) 7.985 3.506 ( 2.458 5.522 4.306) 7.421 3.800 ( 9.633 6.683 3.185) 12.150 4.305 ( -6.726 -0.632 -23.262) 24.223 4.850 ( -1.117 -2.398 -1.530) 3.056 4.926 ( -12.604 3.229 2.719) 13.292 5.188 ( -3.694 -2.213 12.357) 13.086 5.317 ( 3.164 6.840 5.617) 9.399 5.435 ( -6.056 -3.697 9.770) 12.075 6.049 ( -8.372 1.126 -9.529) 12.734 6.279 ( 0.517 -9.884 6.089) 11.620 6.685 ( -5.643 9.179 11.878) 16.037 6.949 ( 5.666 3.950 11.075) 13.052 8.025 ( 11.364 -3.613 -4.401) 12.711 8.036 ( -11.400 -20.557 6.765) 24.461 9.167 ( 4.593 1.057 1.721) 5.018 9.498 ( -0.125 6.096 -1.979) 6.410 10.246 ( -13.349 3.158 -6.606) 15.225 10.586 ( -0.051 -5.634 -0.804) 5.692 11.285 ( 7.743 17.935 -3.177) 19.791 12.097 ( -14.148 -4.192 3.667) 15.204 12.288 ( 2.548 -1.773 -2.183) 3.795 12.762 ( 5.059 -9.153 3.893) 11.159 13.101 ( 3.000 2.682 5.496) 6.812 13.584 ( -6.645 -3.745 -16.197) 17.903 14.540 ( 12.974 2.445 14.341) 19.493 18.032 ( 0.591 3.574 -7.027) 7.906 18.592 ( 11.453 -7.874 -1.628) 13.994 19.269 ( -16.845 11.520 2.417) 20.551 19.401 ( 5.774 0.529 5.778) 8.185 21.315 ( 5.085 -0.869 -13.051) 14.034 22.883 ( -4.333 7.067 11.802) 14.423 23.571 ( -2.965 -8.416 4.853) 10.157 23.757 ( 6.013 2.043 -6.636) 9.185 ======================= Grid point 186 (81/361) ======================= q-point: (-0.30 -0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -13.158 -0.000 -16.884) 21.406 2.794 ( -21.183 -0.000 -10.663) 23.715 3.199 ( 11.976 0.000 9.543) 15.314 3.501 ( 5.969 0.000 7.250) 9.391 3.620 ( 18.258 0.000 1.493) 18.319 4.584 ( 13.355 0.000 -19.250) 23.429 4.781 ( -4.637 -0.000 3.601) 5.871 4.841 ( -0.841 -0.000 23.073) 23.088 5.124 ( 2.221 0.000 12.488) 12.683 5.222 ( -14.175 -0.000 12.489) 18.892 5.453 ( -5.161 -0.000 -1.837) 5.479 6.127 ( -2.456 -0.000 1.386) 2.820 6.232 ( -2.187 -0.000 4.675) 5.161 6.701 ( 1.172 0.000 -2.197) 2.490 6.898 ( 11.805 0.000 0.581) 11.819 7.705 ( -15.759 -0.000 5.323) 16.633 7.962 ( 2.739 0.000 -2.509) 3.715 9.084 ( 4.790 0.000 -0.949) 4.883 9.551 ( 5.482 0.000 3.623) 6.571 10.394 ( 2.480 0.000 8.211) 8.578 10.733 ( -21.736 -0.000 -12.461) 25.055 11.812 ( 3.888 0.000 -15.631) 16.107 12.100 ( 8.209 0.000 0.695) 8.239 12.278 ( -16.022 -0.000 1.041) 16.056 12.499 ( -4.376 -0.000 4.734) 6.446 13.025 ( 1.775 0.000 3.930) 4.313 13.807 ( -5.369 -0.000 -16.599) 17.446 14.196 ( 11.559 0.000 14.329) 18.410 18.169 ( 1.262 0.000 0.064) 1.264 18.267 ( 6.232 0.000 1.654) 6.448 19.282 ( 3.150 0.000 2.235) 3.862 19.628 ( -14.916 -0.000 2.841) 15.185 21.472 ( 6.764 0.000 -16.466) 17.801 22.744 ( 1.222 0.000 21.334) 21.368 23.503 ( -6.619 -0.000 -1.462) 6.779 23.811 ( 6.004 0.000 -9.148) 10.943 ======================= Grid point 187 (82/361) ======================= q-point: (-0.20 -0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -16.072 -3.936 -15.530) 22.694 2.344 ( -25.899 -6.520 -10.623) 28.742 3.419 ( 8.287 2.979 4.151) 9.736 3.615 ( 2.186 4.937 5.162) 7.470 3.861 ( 11.200 0.277 1.381) 11.288 4.318 ( -7.148 1.556 -28.231) 29.163 4.792 ( -3.508 -2.998 3.205) 5.619 4.877 ( -14.536 -4.362 -0.035) 15.176 5.241 ( -0.492 5.982 14.379) 15.581 5.364 ( -8.034 -3.212 23.065) 24.634 5.420 ( 6.336 2.240 0.483) 6.738 6.070 ( -8.926 0.929 -10.209) 13.592 6.144 ( 0.167 -4.369 2.003) 4.809 6.850 ( 0.849 6.573 16.526) 17.806 7.028 ( 7.061 4.382 3.971) 9.211 7.654 ( -11.411 -15.683 7.342) 20.738 7.987 ( 5.422 -1.357 -3.944) 6.840 9.155 ( 6.287 -0.984 -0.464) 6.380 9.608 ( 1.240 3.887 0.041) 4.080 10.277 ( -19.048 0.679 -10.753) 21.885 10.548 ( 5.360 -0.230 5.741) 7.858 11.597 ( 5.151 12.396 -14.885) 20.044 12.057 ( -18.511 0.737 5.428) 19.305 12.245 ( 5.045 -3.066 -1.301) 6.045 12.563 ( -1.992 -9.407 8.341) 12.729 13.142 ( 5.747 1.500 5.253) 7.929 13.529 ( -4.716 -1.811 -16.708) 17.455 14.567 ( 13.330 0.625 15.793) 20.676 18.097 ( 1.387 2.720 -10.368) 10.808 18.468 ( 10.813 -4.460 5.298) 12.840 19.412 ( 6.333 0.521 6.246) 8.910 19.419 ( -16.476 4.277 2.627) 17.224 21.327 ( 5.274 1.129 -18.278) 19.057 22.985 ( -3.991 3.590 21.054) 21.728 23.421 ( -6.355 -5.721 0.983) 8.607 23.796 ( 7.517 1.341 -7.815) 10.926 ======================= Grid point 188 (83/361) ======================= q-point: (-0.10 -0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -17.232 -11.959 -9.501) 23.027 1.962 ( -25.947 -17.286 -6.944) 31.942 3.474 ( 1.460 7.703 -3.460) 8.570 3.593 ( -3.292 4.091 -4.459) 6.888 3.750 ( -20.955 -2.173 -17.340) 27.286 3.929 ( -1.183 2.351 -0.700) 2.723 4.675 ( -8.002 -2.890 -4.636) 9.689 4.810 ( -7.246 -1.004 4.363) 8.518 5.357 ( 3.670 4.551 7.725) 9.688 5.467 ( 0.678 0.358 2.761) 2.865 5.568 ( 0.217 7.253 14.723) 16.413 5.821 ( -7.107 -0.613 -7.118) 10.077 6.290 ( 2.753 -9.389 6.691) 11.854 6.796 ( -11.916 16.577 9.026) 22.322 7.228 ( 1.932 2.256 16.921) 17.179 7.756 ( -12.177 -17.825 6.560) 22.562 8.097 ( 12.972 -10.191 -4.819) 17.186 9.272 ( 7.305 -1.004 1.179) 7.467 9.532 ( -0.135 7.655 -2.904) 8.188 9.926 ( -13.076 -0.386 -7.596) 15.127 10.680 ( 5.312 4.144 3.953) 7.812 11.412 ( 6.663 7.607 -12.737) 16.264 11.904 ( -18.383 -2.714 11.195) 21.693 12.262 ( 0.066 -1.448 -2.374) 2.781 12.807 ( 1.941 -14.429 11.278) 18.416 13.260 ( 3.846 2.324 -1.702) 4.805 13.296 ( -1.036 -0.187 -8.510) 8.574 14.942 ( 14.878 2.510 13.801) 20.448 17.908 ( 3.550 2.946 -22.158) 22.633 18.757 ( 13.682 -3.693 6.298) 15.508 19.159 ( -14.973 7.841 2.262) 17.053 19.581 ( 6.858 0.776 6.021) 9.159 21.173 ( 3.046 -2.161 -16.065) 16.494 23.018 ( -10.262 12.827 11.769) 20.207 23.514 ( -3.231 -13.200 10.684) 17.287 23.803 ( 5.882 2.283 -3.379) 7.157 ======================= Grid point 197 (84/361) ======================= q-point: (-0.20 -0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -20.336 -0.000 -8.070) 21.879 1.785 ( -29.500 -0.000 -9.301) 30.931 3.574 ( 6.197 0.000 2.123) 6.551 3.604 ( -14.915 -0.000 -23.191) 27.573 3.757 ( -16.671 -0.000 -5.456) 17.541 3.935 ( -0.699 -0.000 -1.389) 1.555 4.641 ( -9.511 -0.000 -3.223) 10.043 4.794 ( -2.943 -0.000 4.516) 5.390 5.414 ( 5.132 0.000 5.921) 7.836 5.459 ( -1.041 -0.000 7.221) 7.296 5.639 ( -0.227 -0.000 13.764) 13.766 5.824 ( -8.356 -0.000 -4.942) 9.708 6.191 ( 4.104 0.000 4.540) 6.120 7.118 ( -10.804 -0.000 26.428) 28.551 7.142 ( 4.564 0.000 -0.710) 4.619 7.499 ( -10.013 -0.000 7.047) 12.244 8.022 ( 8.132 0.000 -5.057) 9.576 9.238 ( 7.627 0.000 -0.597) 7.651 9.628 ( -0.332 -0.000 -1.308) 1.349 9.926 ( -12.376 -0.000 -7.548) 14.496 10.724 ( 7.451 0.000 5.511) 9.268 11.481 ( 4.323 0.000 -19.146) 19.628 11.925 ( -18.506 -0.000 13.798) 23.084 12.248 ( 0.428 0.000 -2.722) 2.755 12.626 ( -1.662 -0.000 12.800) 12.907 13.273 ( -2.631 -0.000 -14.780) 15.013 13.303 ( 6.534 0.000 4.593) 7.987 14.963 ( 14.957 0.000 14.448) 20.796 17.937 ( 5.101 0.000 -23.750) 24.291 18.717 ( 12.171 0.000 9.226) 15.273 19.239 ( -15.352 -0.000 2.000) 15.481 19.589 ( 6.552 0.000 5.712) 8.692 21.156 ( 3.408 0.000 -18.509) 18.820 23.232 ( -6.474 -0.000 25.682) 26.486 23.293 ( -7.116 -0.000 0.306) 7.122 23.825 ( 5.916 0.000 -3.849) 7.058 ======================= Grid point 198 (85/361) ======================= q-point: (-0.10 -0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -24.130 -5.502 3.626) 25.014 1.349 ( -28.527 -17.159 -2.943) 33.420 2.761 ( -40.032 -3.814 -32.194) 51.513 3.662 ( 4.156 3.792 3.249) 6.496 3.665 ( -6.712 3.688 5.153) 9.231 3.836 ( -8.061 -0.316 -2.646) 8.490 4.552 ( -2.275 -0.608 0.771) 2.478 4.782 ( -3.696 0.672 1.251) 3.959 5.427 ( -6.982 1.877 0.139) 7.232 5.563 ( 6.330 2.011 4.650) 8.108 5.683 ( 2.279 -1.784 -0.577) 2.951 5.807 ( -5.769 5.728 11.727) 14.269 6.366 ( 5.613 -5.185 6.727) 10.180 6.925 ( -12.640 28.600 8.714) 32.460 7.422 ( -6.362 -2.100 18.647) 19.814 7.497 ( -9.441 -23.048 5.398) 25.485 8.122 ( 10.544 -7.723 -3.570) 13.549 9.382 ( 8.954 -4.087 2.045) 10.053 9.549 ( -2.024 7.521 -3.292) 8.456 9.746 ( -2.994 0.740 -4.204) 5.213 10.854 ( 5.259 6.169 3.219) 8.722 11.313 ( 4.756 -1.262 -18.109) 18.766 11.858 ( -20.668 7.359 24.039) 32.545 12.222 ( 0.065 -1.474 -1.349) 1.999 12.821 ( -2.266 -13.738 12.012) 18.389 13.085 ( 0.321 -2.791 -11.546) 11.883 13.434 ( 5.664 1.467 3.391) 6.762 15.330 ( 14.813 1.506 10.485) 18.211 17.635 ( 7.353 2.341 -38.517) 39.282 18.955 ( -2.541 -2.606 5.046) 6.221 19.100 ( 3.171 3.229 3.888) 5.966 19.732 ( 4.779 -0.493 4.329) 6.467 20.990 ( 2.046 -1.561 -14.791) 15.014 23.110 ( -10.994 15.818 5.645) 20.073 23.540 ( -1.083 -11.641 17.654) 21.174 23.883 ( -0.573 0.169 9.360) 9.379 ======================= Grid point 208 (86/361) ======================= q-point: (-0.10 -0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -30.782 -0.000 24.247) 39.185 0.810 ( -30.086 -0.000 2.364) 30.178 1.715 ( -51.956 -0.000 -23.775) 57.138 3.670 ( -9.063 -0.000 -2.254) 9.339 3.673 ( -4.148 -0.000 5.182) 6.637 3.785 ( 3.559 0.000 4.102) 5.431 4.622 ( 0.269 0.000 12.547) 12.550 4.723 ( -3.153 -0.000 -2.621) 4.100 5.378 ( -3.161 -0.000 6.160) 6.924 5.678 ( -3.211 -0.000 -0.756) 3.298 5.710 ( 4.626 0.000 3.074) 5.554 5.845 ( -4.376 -0.000 2.982) 5.296 6.506 ( 6.310 0.000 4.381) 7.681 7.171 ( 2.017 0.000 -2.341) 3.090 7.205 ( -13.769 -0.000 6.509) 15.230 7.556 ( -13.053 -0.000 37.818) 40.007 8.185 ( 9.130 0.000 -2.009) 9.348 9.513 ( 7.126 0.000 2.989) 7.728 9.516 ( -3.423 -0.000 -1.682) 3.814 9.697 ( 4.694 0.000 -7.660) 8.983 10.988 ( 3.614 0.000 1.898) 4.082 11.105 ( 2.635 0.000 -24.046) 24.190 12.122 ( -14.022 -0.000 47.867) 49.878 12.210 ( 1.722 0.000 -0.695) 1.857 12.820 ( -3.250 -0.000 6.338) 7.123 12.914 ( -1.276 -0.000 -8.619) 8.713 13.541 ( 3.876 0.000 1.795) 4.272 15.622 ( 11.478 0.000 4.323) 12.265 17.177 ( 2.125 0.000 -44.848) 44.898 18.833 ( -8.722 -0.000 -1.544) 8.857 19.312 ( 9.277 0.000 6.116) 11.111 19.819 ( 1.967 0.000 2.918) 3.519 20.856 ( 2.811 0.000 -10.850) 11.208 23.114 ( -6.911 -0.000 2.032) 7.204 23.686 ( 5.328 0.000 4.781) 7.159 24.127 ( -7.106 -0.000 45.740) 46.288 ======================= Grid point 209 (87/361) ======================= q-point: ( 0.00 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -6.497 -0.000 29.014) 29.733 1.332 ( 12.729 0.000 28.592) 31.297 2.337 ( -8.393 -0.000 48.940) 49.655 3.437 ( 0.015 0.000 -3.790) 3.790 3.817 ( 0.401 0.000 6.426) 6.439 4.016 ( -2.965 -0.000 3.348) 4.473 4.535 ( 4.247 0.000 -3.881) 5.753 5.083 ( 8.145 0.000 -9.995) 12.893 5.241 ( -4.459 -0.000 8.212) 9.344 5.526 ( -2.542 -0.000 -9.055) 9.405 5.784 ( -16.488 -0.000 12.946) 20.963 6.245 ( -12.577 -0.000 12.387) 17.653 6.633 ( -2.080 -0.000 2.861) 3.537 6.919 ( -17.650 -0.000 2.956) 17.896 7.102 ( -0.630 -0.000 -8.390) 8.414 7.332 ( -9.046 -0.000 16.140) 18.502 8.436 ( 3.573 0.000 9.128) 9.802 9.352 ( -0.154 -0.000 -7.503) 7.504 9.662 ( 0.134 0.000 5.324) 5.326 9.686 ( -7.407 -0.000 -3.763) 8.308 10.280 ( 17.983 0.000 6.440) 19.101 10.978 ( -1.443 -0.000 -3.654) 3.929 12.060 ( -0.468 -0.000 -9.413) 9.425 12.228 ( -6.382 -0.000 13.653) 15.071 12.445 ( 0.254 0.000 -7.552) 7.557 13.167 ( 4.926 0.000 5.976) 7.744 13.525 ( -1.150 -0.000 -3.455) 3.641 15.367 ( -1.690 -0.000 -19.626) 19.699 18.513 ( 5.772 0.000 -7.667) 9.597 19.421 ( 8.605 0.000 -4.750) 9.829 19.472 ( -12.438 -0.000 -2.002) 12.598 19.707 ( 15.323 0.000 -5.571) 16.305 20.803 ( 17.993 0.000 0.710) 18.007 22.947 ( -54.769 -0.000 -5.962) 55.092 23.184 ( -4.816 -0.000 6.364) 7.981 23.779 ( 5.399 0.000 -1.569) 5.622 ======================= Grid point 210 (88/361) ======================= q-point: ( 0.10 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 2.139 -4.116 28.506) 28.881 1.822 ( 8.717 -5.576 23.650) 25.815 2.964 ( 11.901 -5.910 35.893) 38.274 3.396 ( 3.516 2.270 -5.559) 6.958 3.883 ( -1.825 0.845 7.203) 7.478 3.972 ( -3.155 3.310 -1.119) 4.708 4.522 ( 2.648 4.985 -4.472) 7.202 4.926 ( -5.665 -3.426 -13.737) 15.249 5.342 ( -3.728 0.493 4.260) 5.682 5.404 ( -1.100 -0.058 -3.137) 3.325 5.720 ( -14.416 0.570 25.254) 29.085 6.214 ( -12.144 1.953 16.167) 20.314 6.577 ( -6.948 6.456 5.170) 10.802 6.805 ( 1.220 13.691 5.908) 14.961 7.047 ( -2.457 -7.005 -9.894) 12.369 7.476 ( -7.169 -6.093 17.357) 19.743 8.597 ( -1.342 -2.674 10.585) 10.999 9.366 ( 5.622 -6.875 -0.831) 8.920 9.521 ( -3.290 3.355 -5.440) 7.189 9.697 ( -2.692 -0.391 1.575) 3.144 10.549 ( 17.225 17.408 1.894) 24.563 11.022 ( 2.059 -22.635 -2.712) 22.890 11.955 ( 3.573 0.126 -10.505) 11.097 12.210 ( -3.503 13.363 4.355) 14.485 12.491 ( -1.378 -16.269 2.856) 16.575 13.336 ( 7.069 -0.288 5.315) 8.849 13.447 ( -3.260 -0.258 -3.342) 4.676 15.032 ( -6.227 3.319 -21.220) 22.363 18.518 ( 10.462 4.946 -5.430) 12.783 19.004 ( -18.682 15.734 -9.770) 26.306 19.330 ( -15.895 -16.034 -6.308) 23.443 19.856 ( 1.632 -0.589 -3.447) 3.859 21.102 ( 17.725 4.595 8.273) 20.093 22.365 ( -12.982 8.507 -1.994) 15.649 23.259 ( -4.816 -11.919 1.879) 12.992 23.841 ( 5.225 -0.057 -1.025) 5.325 ======================= Grid point 211 (89/361) ======================= q-point: ( 0.20 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 6.491 -2.131 23.813) 24.774 2.306 ( 10.056 -10.905 20.592) 25.378 3.334 ( 3.943 5.684 -5.964) 9.134 3.509 ( 7.333 -5.370 12.408) 15.381 3.804 ( -1.329 8.305 -9.177) 12.448 4.015 ( 4.309 -0.945 12.353) 13.117 4.400 ( 0.258 5.570 -7.456) 9.311 4.781 ( -3.134 -10.343 -8.951) 14.033 5.282 ( -10.572 -1.650 7.065) 12.822 5.387 ( -5.216 -0.339 6.612) 8.429 5.969 ( 2.503 -0.231 18.074) 18.248 6.241 ( -11.104 5.567 20.110) 23.637 6.489 ( -7.735 0.017 3.332) 8.422 6.779 ( -0.222 10.930 6.360) 12.647 6.912 ( -3.391 2.136 -6.984) 8.052 7.630 ( -4.806 -1.121 15.506) 16.273 8.684 ( -8.354 -6.452 7.239) 12.799 9.360 ( -3.691 6.004 -1.185) 7.147 9.553 ( 2.434 -1.497 -2.063) 3.524 9.742 ( 8.550 -7.452 5.827) 12.751 10.536 ( 4.190 10.294 -2.862) 11.476 11.301 ( 8.019 -16.381 0.263) 18.240 11.851 ( 1.976 4.697 -10.401) 11.582 12.111 ( 3.388 5.445 -1.799) 6.661 12.690 ( -1.728 -15.796 7.152) 17.425 13.304 ( -5.506 3.782 -3.308) 7.454 13.545 ( 8.078 -2.611 4.890) 9.797 14.636 ( -7.775 4.885 -18.797) 20.920 18.509 ( -14.972 13.289 -6.903) 21.175 18.579 ( 12.983 4.733 -6.398) 15.228 19.178 ( -15.124 -17.142 -6.108) 23.662 19.724 ( -12.875 1.436 -0.961) 12.990 21.373 ( 12.840 11.135 9.089) 19.273 22.263 ( 6.468 -3.919 -6.402) 9.909 23.312 ( -1.502 -8.191 -0.323) 8.334 23.893 ( 4.150 1.189 -0.717) 4.376 ======================= Grid point 212 (90/361) ======================= q-point: ( 0.30 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 3.313 2.554 15.953) 16.493 2.796 ( 10.643 -10.824 16.077) 22.111 3.242 ( 2.211 5.966 -5.729) 8.562 3.560 ( -2.324 6.842 -6.248) 9.553 3.594 ( -5.405 1.958 -3.373) 6.665 4.209 ( 11.908 1.823 -12.206) 17.150 4.424 ( 6.740 -6.948 9.635) 13.658 4.773 ( -0.983 -12.105 -4.887) 13.091 5.244 ( -9.246 -1.469 4.959) 10.594 5.410 ( -9.522 -1.550 11.606) 15.092 6.038 ( -7.616 2.232 1.814) 8.141 6.285 ( -8.650 1.645 3.016) 9.308 6.528 ( -6.463 -0.980 24.626) 25.479 6.754 ( -1.766 12.592 9.213) 15.702 6.812 ( -0.380 3.845 2.764) 4.751 7.759 ( 3.278 1.758 7.836) 8.674 8.659 ( -16.547 -9.914 5.846) 20.156 9.258 ( -3.036 7.134 1.866) 7.975 9.490 ( 0.087 4.686 -2.947) 5.536 10.101 ( 11.840 -6.168 7.216) 15.176 10.502 ( 2.148 -5.369 -1.213) 5.908 11.320 ( -3.441 11.944 -8.531) 15.076 11.867 ( 10.778 -8.202 0.961) 13.578 12.153 ( 8.629 0.681 -2.893) 9.126 12.877 ( -2.803 -13.249 6.028) 14.823 13.121 ( -7.709 6.990 -2.252) 10.647 13.726 ( 6.605 -3.807 -1.084) 7.700 14.311 ( -3.787 3.859 -9.338) 10.790 18.169 ( -8.090 6.577 -6.260) 12.161 18.619 ( 8.774 3.825 -8.153) 12.573 19.087 ( -7.933 -13.761 -3.378) 16.239 19.511 ( -14.799 -0.131 1.724) 14.899 21.451 ( 7.518 15.431 0.353) 17.168 22.416 ( 9.466 -12.149 -1.297) 15.456 23.373 ( 2.935 -5.619 -1.179) 6.448 23.913 ( 2.324 3.508 -0.174) 4.211 ======================= Grid point 213 (91/361) ======================= q-point: (-0.60 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -6.756 10.519 5.408) 13.621 3.010 ( -4.353 6.038 -0.725) 7.479 3.237 ( 1.822 -1.078 2.190) 3.046 3.461 ( 3.235 0.026 -3.201) 4.551 3.488 ( -1.557 -4.991 2.249) 5.691 4.149 ( 9.175 2.298 -17.413) 19.816 4.703 ( 8.454 -9.517 1.451) 12.812 4.835 ( -1.755 -8.523 0.188) 8.703 5.158 ( -11.439 -5.051 2.615) 12.775 5.405 ( -11.014 -1.360 7.852) 13.595 5.868 ( -13.486 4.568 2.656) 14.485 6.101 ( -9.096 0.271 -6.014) 10.908 6.669 ( -5.310 6.161 9.723) 12.676 6.765 ( -2.910 5.963 11.705) 13.455 6.975 ( -0.833 0.383 26.689) 26.705 7.878 ( 10.805 1.864 -3.376) 11.473 8.571 ( -19.203 -6.855 9.698) 22.578 9.182 ( -4.286 4.818 2.993) 7.109 9.437 ( 2.888 4.323 -2.008) 5.573 10.190 ( -5.450 -4.257 -4.344) 8.166 10.757 ( 12.121 -12.105 6.136) 18.196 10.990 ( -1.914 21.712 -7.495) 23.049 12.146 ( 10.115 -4.061 3.231) 11.368 12.250 ( 7.442 -1.966 0.939) 7.754 12.919 ( -5.540 6.116 0.005) 8.252 13.017 ( -1.342 -6.800 4.033) 8.019 13.651 ( -5.040 0.694 -12.776) 13.752 14.345 ( 9.652 -4.074 5.296) 11.739 17.965 ( -5.087 0.483 -9.334) 10.641 18.574 ( 4.828 1.283 -6.490) 8.190 19.116 ( -3.334 -9.191 1.344) 9.869 19.394 ( -6.311 -2.680 2.940) 7.460 21.354 ( 5.840 14.068 -8.166) 17.283 22.655 ( 2.737 -14.259 4.413) 15.175 23.471 ( 7.366 -3.491 -1.447) 8.279 23.895 ( 0.629 6.146 1.440) 6.344 ======================= Grid point 214 (92/361) ======================= q-point: (-0.50 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -15.149 15.390 1.603) 21.654 2.724 ( -17.242 13.710 -1.770) 22.099 3.261 ( 1.809 -2.969 -0.382) 3.498 3.466 ( -0.858 -4.218 -0.731) 4.366 3.681 ( 4.024 -10.000 -1.750) 10.920 3.974 ( -0.812 7.231 -11.390) 13.517 4.758 ( -8.597 -0.434 -4.742) 9.827 4.856 ( 0.966 -8.420 -2.768) 8.916 5.165 ( -4.824 -11.520 3.399) 12.943 5.375 ( -3.768 -3.145 5.677) 7.504 5.701 ( -12.732 0.761 5.384) 13.844 5.915 ( -6.850 1.945 -3.308) 7.851 6.627 ( -4.238 6.432 5.050) 9.210 6.801 ( -6.501 2.587 10.307) 12.457 7.306 ( -5.857 -3.855 28.561) 29.409 7.927 ( 8.498 0.756 -8.370) 11.952 8.499 ( -10.790 3.437 9.891) 15.036 9.134 ( -5.435 -1.910 3.237) 6.608 9.440 ( 5.211 3.287 -1.578) 6.360 10.015 ( -12.344 -5.941 -8.005) 15.866 10.745 ( 3.734 19.126 -2.906) 19.703 11.084 ( 10.414 -6.351 4.254) 12.918 12.224 ( 3.057 1.511 -3.134) 4.632 12.370 ( -5.090 4.829 9.945) 12.171 12.914 ( 11.277 2.518 1.389) 11.638 13.126 ( 1.388 -6.675 3.753) 7.782 13.376 ( -9.211 2.919 -9.371) 13.460 14.657 ( 14.518 -8.232 5.436) 17.553 17.719 ( -5.938 -1.528 -18.755) 19.732 18.660 ( 9.033 -1.427 4.742) 10.301 19.133 ( -8.435 -6.553 3.215) 11.154 19.466 ( 6.491 -3.351 2.388) 7.685 21.176 ( 5.224 11.576 -13.770) 18.733 22.831 ( -6.579 -15.142 5.878) 17.525 23.599 ( 9.696 -1.240 -2.430) 10.072 23.883 ( 0.473 6.888 7.243) 10.006 ======================= Grid point 215 (93/361) ======================= q-point: (-0.40 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -20.629 15.183 6.456) 26.415 2.280 ( -21.811 17.585 -1.065) 28.038 3.213 ( -13.560 8.783 -11.248) 19.686 3.453 ( 1.088 -7.309 2.023) 7.661 3.627 ( -5.221 -4.484 -2.333) 7.267 3.872 ( -5.891 -3.004 1.797) 6.853 4.597 ( -6.254 -1.828 -3.685) 7.486 4.830 ( -5.355 -3.581 -0.886) 6.502 5.301 ( 5.559 -9.154 1.379) 10.798 5.456 ( -2.114 -3.651 3.154) 5.267 5.646 ( -6.901 -7.733 4.917) 11.472 5.802 ( -4.708 1.398 0.709) 4.962 6.566 ( -4.156 2.363 1.290) 4.951 6.788 ( -11.506 0.517 10.843) 15.818 7.549 ( -10.807 -6.031 20.659) 24.082 7.920 ( 2.464 0.456 -3.930) 4.661 8.432 ( 1.066 13.595 3.431) 14.062 9.161 ( -5.179 -10.217 4.701) 12.382 9.471 ( 6.959 3.378 -3.011) 8.301 9.827 ( -6.735 0.302 -2.357) 7.141 10.640 ( 1.296 5.038 -3.126) 6.068 11.259 ( 6.279 1.696 1.211) 6.616 12.160 ( -5.165 3.140 -0.530) 6.068 12.325 ( -7.065 6.491 8.969) 13.134 13.004 ( 2.041 0.265 -12.149) 12.322 13.242 ( 2.136 2.860 7.884) 8.655 13.295 ( 7.806 -2.060 6.832) 10.577 15.010 ( 16.373 -9.642 1.940) 19.100 17.379 ( -6.128 -0.705 -22.142) 22.985 18.926 ( 9.964 -3.218 9.571) 14.186 19.097 ( -5.514 -0.926 2.381) 6.077 19.647 ( 9.272 -2.924 2.501) 10.039 20.956 ( 4.264 8.947 -16.587) 19.322 22.894 ( -13.523 -16.503 4.676) 21.843 23.659 ( 7.394 3.529 -5.205) 9.707 24.024 ( 2.873 1.487 17.241) 17.542 ======================= Grid point 216 (94/361) ======================= q-point: (-0.30 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -23.671 12.778 13.557) 30.122 1.763 ( -26.926 15.641 -2.919) 31.276 2.605 ( -31.312 22.391 0.346) 38.495 3.585 ( -3.612 -6.266 -0.282) 7.238 3.660 ( 0.565 -9.249 7.278) 11.783 3.819 ( -6.689 -2.563 0.300) 7.170 4.548 ( -2.865 -5.867 0.908) 6.593 4.805 ( -0.840 -0.229 2.104) 2.277 5.435 ( -4.629 -3.600 5.163) 7.813 5.501 ( 4.467 -8.046 -0.336) 9.209 5.698 ( -6.364 -10.660 -3.918) 13.019 5.787 ( 2.245 1.996 6.035) 6.742 6.506 ( -4.615 -4.486 -1.775) 6.676 6.760 ( -13.587 -3.752 11.728) 18.336 7.592 ( -16.725 -3.210 10.234) 19.869 7.909 ( 1.507 1.534 1.145) 2.437 8.396 ( 10.311 13.866 -2.165) 17.414 9.288 ( -3.281 -11.837 8.510) 14.943 9.492 ( 7.411 1.874 -6.234) 9.864 9.753 ( 1.461 10.179 1.985) 10.473 10.594 ( -5.892 -12.267 -5.256) 14.589 11.274 ( 2.278 9.585 0.696) 9.876 12.045 ( -9.763 -0.961 2.507) 10.126 12.298 ( -5.667 2.109 6.716) 9.037 12.847 ( -3.133 -0.716 -6.919) 7.629 13.386 ( 6.325 -0.782 2.547) 6.863 13.504 ( 12.565 10.891 6.468) 17.841 15.322 ( 15.721 -9.610 -3.623) 18.779 17.068 ( -4.881 1.089 -9.452) 10.694 18.995 ( -3.106 2.717 -2.459) 4.804 19.243 ( 10.403 1.177 9.659) 14.244 19.818 ( 7.403 -0.139 2.858) 7.937 20.743 ( 4.134 4.673 -16.087) 17.255 22.893 ( -17.614 -20.243 4.995) 27.294 23.659 ( 7.250 4.393 -4.612) 9.651 24.313 ( 1.967 -3.649 19.736) 20.167 ======================= Grid point 217 (95/361) ======================= q-point: (-0.20 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -23.726 11.998 14.323) 30.200 1.148 ( -31.293 12.422 -0.499) 33.672 2.125 ( -33.138 22.046 32.716) 51.522 3.552 ( -5.840 -5.355 -1.445) 8.054 3.740 ( -4.621 0.428 0.392) 4.657 3.849 ( 0.480 -6.934 7.355) 10.120 4.564 ( -1.569 -6.271 -4.841) 8.076 4.925 ( 3.997 -1.315 11.847) 12.572 5.443 ( -6.431 -3.874 -10.507) 12.914 5.556 ( -1.219 -6.225 6.597) 9.152 5.692 ( 2.477 -3.323 0.712) 4.205 5.896 ( 2.160 0.056 6.828) 7.162 6.501 ( -2.752 -10.783 -1.119) 11.184 6.778 ( -14.533 -15.196 9.666) 23.142 7.458 ( -17.762 0.920 9.454) 20.142 7.946 ( 1.210 0.601 -0.794) 1.567 8.371 ( 13.802 14.000 -11.265) 22.658 9.452 ( -1.332 -8.190 4.126) 9.267 9.511 ( 6.983 1.430 -1.999) 7.403 9.693 ( 5.043 15.601 0.958) 16.424 10.502 ( -19.982 -21.056 -8.680) 30.298 11.193 ( 1.219 14.586 0.702) 14.654 12.010 ( -9.049 -12.496 4.860) 16.176 12.265 ( -6.381 -1.464 1.387) 6.692 12.774 ( -0.922 -0.016 -2.490) 2.655 13.397 ( 6.898 17.595 -12.987) 22.931 13.554 ( 5.208 6.558 -1.237) 8.465 15.517 ( 11.077 -8.148 -8.989) 16.429 17.243 ( 14.821 -7.666 33.109) 37.076 18.870 ( 4.306 13.030 -6.064) 15.003 19.450 ( 4.606 -1.203 5.803) 7.506 19.912 ( 2.927 4.927 3.032) 6.484 20.610 ( 6.911 -0.343 -13.865) 15.496 22.917 ( -19.035 -26.218 7.368) 33.227 23.678 ( 7.430 3.081 -3.736) 8.869 24.545 ( -4.707 -7.883 4.001) 10.016 ======================= Grid point 218 (96/361) ======================= q-point: (-0.10 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -2.264 8.731 26.514) 28.006 0.998 ( -16.142 10.051 23.362) 30.123 2.059 ( -29.969 9.732 48.813) 58.100 3.492 ( -3.853 -2.320 -2.262) 5.034 3.727 ( 0.628 0.223 4.078) 4.132 3.975 ( -1.539 -3.467 5.892) 7.007 4.533 ( 1.649 -3.327 -5.616) 6.732 5.092 ( 0.437 -1.066 -0.140) 1.161 5.236 ( -3.546 -0.942 -1.802) 4.088 5.641 ( -1.278 -4.058 -5.061) 6.612 5.769 ( -0.994 3.568 9.504) 10.200 6.094 ( 7.635 -2.670 11.417) 13.992 6.577 ( -0.376 -8.353 1.137) 8.438 6.875 ( -17.009 -36.235 3.907) 40.219 7.346 ( -14.992 1.559 11.922) 19.218 7.672 ( -13.268 23.418 -19.820) 33.425 8.314 ( 8.495 7.392 -0.728) 11.284 9.487 ( 0.180 5.407 -6.584) 8.522 9.541 ( 1.155 -7.083 3.400) 7.941 9.753 ( 10.134 10.964 5.655) 15.965 10.192 ( -25.825 -13.453 -2.727) 29.246 11.077 ( 1.034 12.338 -1.443) 12.465 12.113 ( -4.694 -14.663 3.997) 15.906 12.183 ( -6.158 -2.229 -1.849) 6.805 12.641 ( -1.172 13.141 -9.644) 16.342 13.112 ( 1.161 13.021 -0.467) 13.081 13.560 ( 1.194 -0.059 -2.180) 2.486 15.543 ( 4.613 -4.527 -14.586) 15.954 18.297 ( 26.132 -32.256 19.041) 45.672 18.845 ( 34.297 25.909 5.619) 43.349 19.536 ( -4.123 -6.818 1.347) 8.081 19.858 ( -3.092 9.242 -2.055) 9.960 20.617 ( 12.746 -1.897 -8.312) 15.334 23.017 ( -17.647 -31.128 7.763) 36.615 23.715 ( 6.416 1.995 -3.161) 7.426 24.117 ( -41.269 10.262 -23.402) 48.539 ======================= Grid point 220 (97/361) ======================= q-point: ( 0.10 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 8.553 0.000 28.630) 29.880 2.180 ( 6.131 0.000 21.600) 22.453 3.397 ( 5.406 0.000 -6.847) 8.724 3.449 ( 10.581 0.000 13.834) 17.417 3.890 ( -2.441 -0.000 -8.067) 8.429 4.001 ( 4.505 0.000 10.427) 11.359 4.501 ( 0.705 0.000 -7.010) 7.045 4.635 ( -5.533 -0.000 -13.092) 14.213 5.271 ( -14.541 -0.000 10.375) 17.863 5.376 ( -2.596 -0.000 3.948) 4.725 5.966 ( 2.241 0.000 16.444) 16.596 6.292 ( -10.386 -0.000 22.790) 25.045 6.483 ( -11.738 -0.000 0.133) 11.739 6.914 ( 4.231 0.000 -5.639) 7.050 6.925 ( -3.153 -0.000 1.156) 3.358 7.610 ( -9.428 -0.000 25.238) 26.942 8.611 ( -11.609 -0.000 6.929) 13.520 9.405 ( -5.279 -0.000 -1.676) 5.538 9.539 ( 17.553 0.000 4.149) 18.036 9.679 ( 0.029 0.000 -0.882) 0.883 10.707 ( -7.686 -0.000 -7.871) 11.001 11.079 ( 23.939 0.000 5.434) 24.548 11.903 ( 7.878 0.000 -12.974) 15.179 12.233 ( 0.742 0.000 -7.118) 7.157 12.468 ( -6.069 -0.000 15.256) 16.419 13.340 ( -5.250 -0.000 -3.167) 6.131 13.520 ( 8.816 0.000 4.561) 9.926 14.680 ( -9.099 -0.000 -18.645) 20.746 18.623 ( 12.872 0.000 -9.028) 15.722 18.714 ( -17.274 -0.000 -11.055) 20.509 18.934 ( -15.530 -0.000 -0.399) 15.535 19.737 ( -11.727 -0.000 -2.248) 11.940 21.500 ( 15.753 0.000 12.274) 19.970 22.217 ( 0.406 0.000 -11.460) 11.467 23.227 ( 0.594 0.000 2.315) 2.390 23.904 ( 5.057 0.000 -0.780) 5.116 ======================= Grid point 221 (98/361) ======================= q-point: ( 0.20 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 8.019 8.044 22.538) 25.238 2.572 ( 6.917 -12.174 19.552) 24.048 3.343 ( 1.636 3.859 -7.926) 8.966 3.565 ( -2.314 -1.165 -1.578) 3.033 3.705 ( -2.008 4.412 -12.135) 13.068 4.248 ( 15.034 0.950 -3.511) 15.468 4.370 ( 0.642 3.570 -0.804) 3.715 4.542 ( -0.900 -12.397 -6.608) 14.077 5.240 ( -10.304 0.546 11.130) 15.177 5.380 ( -8.729 -1.362 7.208) 11.402 6.055 ( -4.508 0.195 1.333) 4.706 6.296 ( -10.517 -0.016 -3.306) 11.024 6.523 ( -7.829 0.081 30.456) 31.446 6.882 ( -2.879 2.804 4.377) 5.942 6.930 ( 3.815 5.384 2.367) 7.010 7.786 ( -7.454 1.148 21.864) 23.129 8.467 ( -17.806 -7.718 0.638) 19.417 9.323 ( -3.722 1.224 0.197) 3.923 9.635 ( 1.728 7.834 -0.652) 8.049 9.970 ( 19.890 -6.692 10.759) 23.583 10.469 ( -8.127 0.076 -8.741) 11.936 11.475 ( 18.431 2.987 4.433) 19.190 11.821 ( 8.015 2.572 -11.384) 14.158 12.191 ( 5.728 3.414 -2.523) 7.129 12.614 ( -5.762 -12.443 10.676) 17.378 13.211 ( -7.055 2.568 -1.684) 7.694 13.677 ( 7.912 -1.418 -1.515) 8.180 14.356 ( -7.565 1.165 -10.571) 13.052 18.312 ( -11.039 7.733 -11.246) 17.554 18.606 ( -0.978 -5.190 -9.909) 11.228 18.904 ( 2.473 -4.278 2.351) 5.472 19.514 ( -14.395 0.123 -1.434) 14.467 21.760 ( 8.394 16.137 7.304) 19.601 22.168 ( 6.429 -13.877 -9.192) 17.844 23.294 ( 3.946 -2.494 1.212) 4.823 23.956 ( 3.775 1.219 -0.268) 3.976 ======================= Grid point 222 (99/361) ======================= q-point: ( 0.30 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -1.744 12.024 10.343) 15.956 3.028 ( 8.193 -7.285 14.816) 18.432 3.194 ( -5.074 0.165 -5.057) 7.166 3.454 ( -6.565 -0.375 -5.154) 8.356 3.492 ( -0.279 3.588 -10.242) 10.856 4.206 ( 9.136 4.560 -12.718) 16.309 4.536 ( 9.583 -7.956 -2.942) 12.798 4.626 ( -0.463 -12.790 2.097) 12.969 5.157 ( -12.155 3.853 2.631) 13.020 5.351 ( -11.159 -4.354 7.131) 13.940 5.924 ( -11.065 1.901 -0.958) 11.268 6.104 ( -8.503 -0.028 -4.987) 9.858 6.705 ( -7.437 1.240 14.528) 16.368 6.949 ( -0.173 9.244 6.707) 11.422 6.992 ( -4.496 1.285 24.484) 24.926 7.910 ( 2.438 2.218 5.278) 6.223 8.333 ( -19.481 -15.054 5.924) 25.322 9.273 ( -3.996 3.537 3.393) 6.324 9.556 ( -0.156 6.891 -1.816) 7.128 10.157 ( -6.641 0.988 -8.365) 10.726 10.548 ( 16.808 -10.247 9.744) 21.965 11.449 ( 6.876 26.045 -5.395) 27.472 12.042 ( 16.087 -6.848 6.253) 18.569 12.242 ( 7.218 0.725 -1.880) 7.494 12.780 ( -3.674 -14.148 7.019) 16.215 13.059 ( -7.395 4.839 0.099) 8.838 13.646 ( -1.843 -0.744 -12.877) 13.029 14.280 ( 4.310 -2.813 2.042) 5.537 17.993 ( -7.052 2.206 -13.464) 15.358 18.528 ( -2.250 -5.245 -3.694) 6.798 19.028 ( 6.631 -0.562 1.052) 6.737 19.349 ( -6.968 -2.312 0.186) 7.344 21.653 ( 4.225 17.986 -7.992) 20.130 22.372 ( 2.403 -16.594 3.306) 17.090 23.413 ( 7.329 -2.535 1.316) 7.866 23.981 ( 2.089 3.215 0.873) 3.932 ======================= Grid point 223 (100/361) ======================= q-point: (-0.60 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -10.166 16.643 1.034) 19.529 2.916 ( -13.979 6.972 -3.845) 16.087 3.253 ( -1.579 1.607 -2.438) 3.319 3.406 ( -1.010 -2.307 0.705) 2.615 3.466 ( 3.835 -12.803 0.930) 13.397 4.116 ( 5.360 7.949 -11.596) 15.046 4.667 ( 1.707 -11.305 -3.811) 12.051 4.722 ( -6.693 -6.205 -0.048) 9.127 4.973 ( -7.864 -5.060 0.025) 9.352 5.317 ( -7.112 -3.820 3.603) 8.841 5.733 ( -12.319 2.209 1.107) 12.565 5.944 ( -6.170 1.020 -2.999) 6.936 6.689 ( -9.147 3.066 6.311) 11.528 6.931 ( -4.850 7.979 8.723) 12.778 7.246 ( -8.733 -2.516 27.710) 29.162 7.932 ( 5.189 0.027 -7.567) 9.175 8.355 ( -12.102 -13.847 10.750) 21.302 9.214 ( -5.292 6.482 4.799) 9.646 9.496 ( 0.857 2.012 -1.216) 2.503 9.907 ( -10.343 -3.509 -11.113) 15.582 10.981 ( 15.720 -4.517 8.364) 18.370 11.231 ( 6.267 30.684 -1.778) 31.368 12.248 ( 5.744 1.026 -3.385) 6.746 12.417 ( 4.409 -0.134 11.398) 12.222 12.951 ( 1.912 -9.892 6.238) 11.850 12.968 ( 0.926 0.873 0.180) 1.285 13.402 ( -8.009 0.178 -11.955) 14.391 14.497 ( 12.251 -8.566 2.358) 15.134 17.695 ( -6.672 -0.956 -18.408) 19.603 18.596 ( 3.483 -4.807 6.345) 8.689 19.095 ( 2.125 1.921 1.699) 3.330 19.393 ( 6.944 -4.664 0.227) 8.368 21.415 ( 2.722 14.119 -13.802) 19.931 22.549 ( -6.390 -15.395 5.170) 17.452 23.572 ( 8.862 -1.500 2.045) 9.218 23.990 ( 1.141 4.646 3.548) 5.956 ======================= Grid point 224 (101/361) ======================= q-point: (-0.50 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -14.613 18.813 1.980) 23.904 2.535 ( -19.836 10.522 -5.572) 23.135 3.257 ( 0.833 -5.807 1.978) 6.191 3.393 ( -3.318 -1.255 -1.538) 3.867 3.553 ( -3.001 -2.110 -4.338) 5.681 3.896 ( -9.563 7.263 -3.196) 12.426 4.553 ( -10.591 -2.706 -4.275) 11.738 4.707 ( -3.728 -9.362 -0.278) 10.081 5.097 ( 4.992 -13.183 1.028) 14.133 5.349 ( -1.257 -6.991 2.840) 7.650 5.564 ( -12.396 -0.922 0.869) 12.460 5.844 ( -3.034 2.360 0.333) 3.858 6.571 ( -12.960 0.810 3.064) 13.342 6.875 ( -9.991 5.469 9.127) 14.596 7.450 ( -10.771 -4.395 21.079) 24.076 7.911 ( 3.912 -1.321 -6.216) 7.462 8.453 ( -3.290 -8.819 4.316) 10.355 9.138 ( -5.042 6.010 5.345) 9.493 9.505 ( 2.486 -0.103 -0.968) 2.670 9.712 ( -8.119 -8.755 -5.613) 13.194 10.990 ( 4.217 29.008 -2.932) 29.459 11.290 ( 10.889 2.167 6.383) 12.806 12.226 ( 0.316 3.346 -3.534) 4.877 12.456 ( -9.849 7.008 10.470) 15.992 12.999 ( 2.454 -1.977 -11.537) 11.959 13.144 ( -0.541 -7.393 1.880) 7.647 13.310 ( 9.993 -0.866 10.337) 14.403 14.799 ( 15.195 -12.661 -1.618) 19.845 17.369 ( -6.262 -0.390 -19.164) 20.165 18.841 ( 6.265 -4.800 11.789) 14.187 19.139 ( 6.263 4.473 1.727) 7.887 19.582 ( 11.948 -4.259 0.657) 12.701 21.137 ( 1.011 10.502 -16.750) 19.796 22.595 ( -14.522 -15.677 3.682) 21.684 23.707 ( 7.072 1.748 -0.038) 7.285 24.057 ( 1.816 1.973 10.296) 10.640 ======================= Grid point 225 (102/361) ======================= q-point: (-0.40 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -16.439 19.219 8.396) 26.648 2.023 ( -24.976 13.219 -8.076) 29.390 3.080 ( -16.458 26.970 0.345) 31.597 3.450 ( -0.576 -10.330 5.687) 11.806 3.460 ( -6.103 -10.051 1.245) 11.825 3.766 ( -5.828 -2.573 0.432) 6.385 4.435 ( -6.079 -6.759 -1.800) 9.267 4.757 ( -0.161 -4.885 2.344) 5.420 5.288 ( 2.915 -12.990 -0.649) 13.329 5.389 ( -7.590 -3.795 1.708) 8.656 5.482 ( -4.401 -11.134 0.499) 11.982 5.837 ( 1.488 2.974 4.514) 5.607 6.390 ( -19.353 -4.658 2.677) 20.085 6.795 ( -9.941 3.057 7.464) 12.801 7.520 ( -13.777 -3.372 11.596) 18.320 7.917 ( 4.813 -1.211 -4.373) 6.615 8.516 ( 3.147 -1.289 -1.373) 3.667 9.143 ( -3.032 -2.353 8.311) 9.154 9.516 ( 2.928 1.319 -2.177) 3.879 9.716 ( -5.021 -14.450 2.045) 15.433 10.717 ( -0.245 25.956 -5.182) 26.469 11.433 ( 6.125 7.676 4.609) 10.848 12.112 ( -5.865 6.086 -0.826) 8.493 12.370 ( -8.657 4.972 6.710) 12.028 12.838 ( -2.443 -0.197 -8.689) 9.028 13.268 ( 2.793 -9.552 0.695) 9.976 13.652 ( 16.058 3.617 9.189) 18.852 15.094 ( 15.409 -14.757 -7.034) 22.465 17.090 ( -4.295 1.233 -9.648) 10.633 19.048 ( 6.040 2.775 3.602) 7.560 19.276 ( 10.391 2.522 5.943) 12.233 19.809 ( 13.558 -0.910 2.508) 13.818 20.846 ( -0.412 6.395 -17.376) 18.520 22.533 ( -21.176 -18.191 3.235) 28.104 23.743 ( 5.404 4.684 -2.209) 7.485 24.250 ( 0.750 -3.221 14.348) 14.724 ======================= Grid point 226 (103/361) ======================= q-point: (-0.30 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -19.474 18.475 7.130) 27.774 1.438 ( -21.257 18.376 5.183) 28.572 2.629 ( -22.562 30.795 18.331) 42.349 3.429 ( -6.710 -8.096 -0.083) 10.516 3.672 ( -0.163 -11.835 7.433) 13.976 3.731 ( -2.883 -1.496 0.995) 3.397 4.432 ( -0.925 -7.739 -4.192) 8.850 4.873 ( 1.912 -4.425 8.093) 9.420 5.317 ( -5.329 -10.933 -8.921) 15.083 5.410 ( -4.180 -8.737 8.526) 12.904 5.578 ( 0.436 -8.287 3.758) 9.109 5.918 ( 2.280 2.114 5.879) 6.650 6.211 ( -24.157 -13.031 6.890) 28.299 6.723 ( -6.594 1.115 2.920) 7.298 7.435 ( -16.036 -1.598 7.460) 17.758 7.955 ( 4.781 -0.882 -3.374) 5.918 8.537 ( 8.653 4.898 -6.469) 11.862 9.261 ( -1.914 -11.257 2.916) 11.785 9.551 ( 4.123 2.418 4.168) 6.342 9.804 ( -6.922 -14.867 1.385) 16.458 10.387 ( -5.479 21.412 -5.658) 22.815 11.458 ( 3.506 13.499 4.597) 14.685 11.962 ( -8.602 4.930 3.440) 10.495 12.288 ( -5.764 2.455 1.676) 6.485 12.762 ( 0.066 -0.736 -2.087) 2.214 13.373 ( 2.672 -8.021 -4.292) 9.481 13.820 ( 11.383 10.948 -6.830) 17.207 15.307 ( 11.950 -14.422 -11.851) 22.164 17.120 ( 5.258 -5.057 17.081) 18.574 19.111 ( 14.553 12.110 -3.341) 19.225 19.427 ( 3.260 -1.110 0.990) 3.583 20.024 ( 10.549 6.780 6.666) 14.202 20.607 ( 1.945 0.170 -15.903) 16.022 22.438 ( -26.458 -23.461 6.483) 35.951 23.746 ( 5.209 4.363 -2.325) 7.182 24.418 ( -5.606 -5.955 7.379) 11.015 ======================= Grid point 227 (104/361) ======================= q-point: (-0.20 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -2.205 19.285 19.900) 27.799 1.271 ( -11.877 18.078 18.887) 28.716 2.389 ( -21.797 24.695 35.527) 48.447 3.412 ( -3.817 -6.267 -1.183) 7.433 3.731 ( 0.810 -0.091 2.855) 2.969 3.857 ( -2.306 -9.124 7.337) 11.933 4.431 ( 2.192 -7.027 -6.748) 9.986 5.043 ( 0.699 -4.640 5.663) 7.354 5.198 ( -3.276 -3.470 -4.959) 6.883 5.548 ( -0.749 -6.005 -1.055) 6.143 5.780 ( 1.971 -9.510 15.600) 18.376 5.987 ( -8.007 -8.008 8.526) 14.175 6.132 ( -22.470 -16.316 12.344) 30.389 6.673 ( -1.854 -1.001 -0.564) 2.181 7.328 ( -14.291 -1.407 8.526) 16.700 7.912 ( -2.644 4.472 -8.133) 9.650 8.491 ( 9.096 9.409 -8.872) 15.811 9.361 ( 0.467 -12.509 0.254) 12.520 9.629 ( 1.985 7.472 0.184) 7.733 9.817 ( -12.204 -20.239 0.192) 23.635 10.091 ( -0.216 22.567 1.849) 22.643 11.394 ( 2.239 19.334 2.051) 19.571 11.925 ( -6.237 -2.874 10.173) 12.274 12.197 ( -3.659 1.698 -2.936) 4.989 12.757 ( 1.415 2.131 -2.053) 3.280 13.336 ( 1.418 1.732 -12.573) 12.770 13.648 ( 1.570 12.693 -8.186) 15.185 15.388 ( 5.678 -12.057 -15.303) 20.293 17.755 ( 16.106 -25.242 26.384) 39.908 19.226 ( 29.360 15.613 -4.291) 33.529 19.406 ( -5.472 -5.667 -6.016) 9.912 20.067 ( -2.368 11.818 3.059) 12.435 20.565 ( 11.563 -2.898 -7.583) 14.128 22.396 ( -29.282 -29.652 11.708) 43.287 23.758 ( 4.996 2.901 -1.949) 6.097 24.256 ( -20.564 3.669 -8.907) 22.709 ======================= Grid point 228 (105/361) ======================= q-point: (-0.10 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -5.822 13.201 23.932) 27.944 1.423 ( 13.240 9.560 25.957) 30.667 2.490 ( -6.795 15.932 44.331) 47.594 3.401 ( -0.188 -3.899 -3.480) 5.230 3.809 ( 0.545 -0.815 5.663) 5.747 3.957 ( -3.567 -6.166 4.218) 8.279 4.470 ( 4.296 -6.635 -4.977) 9.341 5.088 ( 7.373 0.448 -8.624) 11.354 5.226 ( -3.927 -2.306 10.071) 11.053 5.493 ( -3.747 -2.767 -5.936) 7.545 5.815 ( -21.037 0.855 10.594) 23.569 6.158 ( -18.403 -12.722 18.103) 28.779 6.310 ( 3.407 -23.563 13.131) 27.188 6.681 ( -0.425 -2.761 1.524) 3.182 7.253 ( -8.856 0.095 1.568) 8.994 7.590 ( -8.988 16.909 -4.198) 19.605 8.496 ( 5.484 5.779 4.415) 9.109 9.474 ( -0.208 11.867 -5.703) 13.168 9.508 ( 0.776 -10.751 0.706) 10.802 9.758 ( -10.529 -3.650 0.750) 11.169 10.167 ( 15.305 -0.929 5.169) 16.181 11.232 ( 1.197 21.613 -1.106) 21.675 12.055 ( -5.363 -9.086 12.059) 16.023 12.072 ( -0.520 1.247 -9.082) 9.182 12.652 ( 0.642 12.180 -5.460) 13.363 13.226 ( 3.886 4.663 0.412) 6.084 13.531 ( -1.693 1.813 -3.190) 4.041 15.294 ( -0.884 -7.808 -19.613) 21.129 18.328 ( 8.219 -18.024 2.657) 19.987 19.239 ( -13.897 -12.585 -10.552) 21.514 19.536 ( 21.519 5.945 -2.876) 22.510 19.886 ( -1.585 11.631 -4.308) 12.504 20.753 ( 14.449 -3.591 3.043) 15.197 22.421 ( -26.029 -28.347 10.397) 39.864 23.650 ( -21.382 23.215 -7.977) 32.554 23.790 ( 4.495 1.163 -1.361) 4.838 ======================= Grid point 231 (106/361) ======================= q-point: ( 0.20 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( -2.798 -0.000 10.876) 11.230 2.877 ( 12.241 0.000 20.987) 24.296 3.215 ( -6.608 -0.000 -8.888) 11.076 3.450 ( -4.857 -0.000 -6.367) 8.009 3.535 ( -2.768 -0.000 -12.357) 12.663 4.301 ( 10.207 0.000 -13.372) 16.822 4.415 ( 6.924 0.000 -5.330) 8.738 4.488 ( 1.255 0.000 4.756) 4.919 5.247 ( -7.177 -0.000 7.061) 10.068 5.261 ( -15.620 -0.000 3.260) 15.957 5.942 ( -9.874 -0.000 -1.534) 9.993 6.103 ( -8.379 -0.000 -4.885) 9.699 6.720 ( -8.020 -0.000 17.652) 19.389 7.008 ( -5.737 -0.000 22.665) 23.379 7.040 ( 2.830 0.000 1.778) 3.342 7.953 ( -8.475 -0.000 21.340) 22.962 8.153 ( -13.874 -0.000 -5.088) 14.777 9.304 ( -3.378 -0.000 3.341) 4.751 9.626 ( -4.165 -0.000 -2.870) 5.058 10.191 ( -9.592 -0.000 -12.138) 15.470 10.430 ( 23.105 0.000 14.109) 27.072 11.813 ( 11.859 0.000 -10.885) 16.097 11.894 ( 19.581 0.000 9.962) 21.970 12.261 ( 5.679 0.000 -2.170) 6.079 12.599 ( -6.154 -0.000 11.163) 12.747 13.106 ( -8.026 -0.000 0.200) 8.029 13.638 ( -0.428 -0.000 -13.129) 13.136 14.253 ( 1.744 0.000 0.967) 1.994 18.020 ( -8.526 -0.000 -17.135) 19.139 18.464 ( -4.161 -0.000 1.386) 4.386 19.036 ( 12.749 0.000 -1.414) 12.827 19.324 ( -9.277 -0.000 -0.304) 9.282 21.920 ( 3.972 0.000 -19.739) 20.135 22.121 ( 1.663 0.000 14.546) 14.641 23.389 ( 7.472 0.000 2.342) 7.831 24.010 ( 2.594 0.000 0.669) 2.679 ======================= Grid point 232 (107/361) ======================= q-point: (-0.70 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( -8.305 11.607 2.391) 14.471 2.968 ( -12.071 -1.289 -7.316) 14.174 3.263 ( 3.131 -6.885 1.677) 7.747 3.284 ( -5.120 0.783 -4.331) 6.752 3.387 ( -0.175 -0.006 3.077) 3.082 4.265 ( 11.187 7.877 -12.410) 18.472 4.493 ( -0.475 -5.929 -3.698) 7.004 4.538 ( 1.453 -10.280 1.078) 10.438 4.999 ( -17.961 3.927 -0.953) 18.410 5.237 ( -5.812 -4.001 2.333) 7.432 5.767 ( -11.736 1.199 -0.436) 11.806 5.952 ( -5.450 0.063 -2.930) 6.188 6.753 ( -11.377 2.810 11.182) 16.198 7.027 ( -5.103 2.309 1.549) 5.811 7.219 ( -9.149 -0.599 26.073) 27.638 7.944 ( -1.761 1.507 -5.119) 5.620 8.131 ( -7.950 -8.533 14.742) 18.797 9.292 ( -4.969 1.982 4.951) 7.290 9.500 ( -6.612 -0.770 -3.067) 7.330 9.905 ( -6.785 1.527 -13.138) 14.865 10.916 ( 19.073 -2.099 12.061) 22.664 11.768 ( 11.474 24.033 -3.823) 26.905 12.257 ( 8.260 -0.463 0.318) 8.279 12.349 ( 7.741 -7.231 6.497) 12.427 12.728 ( -2.877 -9.013 10.922) 14.450 13.017 ( -1.870 1.781 1.889) 3.199 13.397 ( -6.789 -0.334 -14.608) 16.112 14.377 ( 9.982 -3.699 0.620) 10.663 17.684 ( -7.174 -0.291 -18.596) 19.934 18.525 ( 1.750 -2.276 9.326) 9.758 19.165 ( 10.243 4.607 -2.324) 11.469 19.301 ( 4.408 -4.898 0.521) 6.610 21.651 ( 1.317 9.497 -19.381) 21.623 22.302 ( -6.549 -9.695 9.794) 15.258 23.551 ( 8.554 -0.663 4.281) 9.588 24.048 ( 1.541 1.636 2.074) 3.058 ======================= Grid point 233 (108/361) ======================= q-point: (-0.60 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -11.162 16.892 -0.402) 20.251 2.673 ( -16.210 4.477 -6.720) 18.110 3.145 ( -4.785 -5.092 -2.007) 7.270 3.256 ( -6.387 -10.515 -3.187) 12.709 3.573 ( 4.268 2.029 7.939) 9.239 4.084 ( -2.019 9.779 -14.614) 17.700 4.482 ( -11.521 -4.489 1.850) 12.503 4.578 ( -3.301 -2.477 -2.175) 4.665 4.847 ( -0.159 -13.085 -0.451) 13.094 5.239 ( -2.581 -4.786 1.995) 5.792 5.571 ( -13.423 0.956 -1.185) 13.509 5.878 ( -1.790 1.332 0.377) 2.262 6.619 ( -18.398 3.916 7.010) 20.074 6.929 ( -10.931 0.268 3.362) 11.440 7.397 ( -8.440 -1.491 20.543) 22.259 7.879 ( 2.233 -1.774 -6.685) 7.268 8.282 ( -3.823 -7.402 10.657) 13.527 9.241 ( -6.765 3.835 4.829) 9.154 9.415 ( -6.302 -7.431 -1.957) 9.938 9.671 ( -2.138 2.655 -9.578) 10.167 11.279 ( 13.235 1.310 7.399) 15.219 11.616 ( 7.778 31.964 -0.229) 32.898 12.273 ( 2.471 1.939 -3.703) 4.856 12.539 ( -6.317 -0.024 9.083) 11.064 12.842 ( -3.208 -12.904 1.703) 13.405 13.093 ( -2.918 1.017 -9.358) 9.855 13.266 ( 12.794 -3.226 9.478) 16.246 14.587 ( 13.647 -9.340 -4.072) 17.031 17.365 ( -6.090 -0.096 -17.188) 18.235 18.773 ( 7.687 -2.514 14.582) 16.675 19.237 ( 11.405 5.900 -1.846) 12.973 19.492 ( 13.252 -5.385 0.698) 14.321 21.320 ( -1.449 8.713 -19.808) 21.688 22.343 ( -14.243 -11.178 5.352) 18.881 23.726 ( 6.487 0.483 5.139) 8.290 24.090 ( 1.356 1.507 4.750) 5.164 ======================= Grid point 234 (109/361) ======================= q-point: (-0.50 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -11.584 19.245 4.074) 22.829 2.253 ( -19.407 11.983 -7.114) 23.892 3.210 ( -1.631 -12.542 5.398) 13.751 3.233 ( -7.848 -11.227 -0.500) 13.708 3.583 ( -2.918 18.176 -0.184) 18.410 3.755 ( -9.677 3.346 -3.205) 10.729 4.309 ( -9.713 -5.909 -2.453) 11.631 4.648 ( 1.171 -6.066 3.165) 6.941 5.009 ( 1.400 -16.589 -2.292) 16.805 5.306 ( 0.110 -5.772 1.976) 6.102 5.354 ( -15.086 -2.442 1.404) 15.347 5.888 ( 1.828 2.373 3.625) 4.703 6.357 ( -25.684 0.475 5.374) 26.244 6.813 ( -10.435 -1.068 2.574) 10.800 7.491 ( -9.095 0.210 12.121) 15.155 7.866 ( 4.725 -3.919 -7.218) 9.475 8.427 ( -0.987 -5.686 8.769) 10.498 9.165 ( -6.027 2.768 2.943) 7.256 9.397 ( -7.145 -14.364 -1.632) 16.125 9.580 ( 1.908 2.408 -1.378) 3.368 11.296 ( 4.975 31.006 -3.512) 31.599 11.567 ( 7.381 9.474 7.750) 14.293 12.211 ( -1.232 4.031 -3.263) 5.330 12.463 ( -12.720 4.770 8.112) 15.823 12.835 ( -0.895 -0.904 -9.911) 9.992 13.048 ( -0.375 -14.135 0.516) 14.149 13.666 ( 16.177 -1.040 10.836) 19.499 14.818 ( 14.642 -14.254 -9.075) 22.358 17.111 ( -3.680 0.930 -10.058) 10.750 19.090 ( 11.627 1.720 10.628) 15.846 19.331 ( 11.110 3.239 -2.342) 11.807 19.785 ( 18.742 -1.650 4.404) 19.323 20.964 ( -3.972 6.167 -19.678) 21.001 22.248 ( -20.800 -12.683 2.856) 24.528 23.824 ( 3.391 3.897 2.300) 5.655 24.197 ( 0.640 -2.494 8.733) 9.104 ======================= Grid point 235 (110/361) ======================= q-point: (-0.40 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -15.560 20.187 2.185) 25.581 1.796 ( -11.617 20.308 7.473) 24.561 3.147 ( -12.037 16.768 4.175) 21.059 3.278 ( -9.533 -2.555 1.644) 10.006 3.433 ( -1.886 -12.313 9.801) 15.850 3.705 ( -0.890 -0.943 1.031) 1.656 4.285 ( -0.041 -8.218 -3.290) 8.852 4.772 ( 0.384 -6.239 6.343) 8.905 5.059 ( -5.219 -15.354 -6.596) 17.506 5.257 ( -9.857 -8.137 7.373) 14.756 5.435 ( -0.688 -6.611 5.959) 8.927 5.960 ( 2.176 2.313 5.431) 6.291 6.065 ( -26.100 -4.145 7.256) 27.406 6.719 ( -6.614 -2.010 -0.736) 6.952 7.438 ( -10.854 2.330 5.561) 12.417 7.901 ( 5.743 -4.733 -6.462) 9.856 8.572 ( 2.488 -1.070 6.857) 7.373 9.103 ( -5.197 -4.734 -1.346) 7.158 9.416 ( -10.280 -18.089 -0.059) 20.806 9.630 ( 4.086 1.970 5.121) 6.841 10.974 ( 2.214 36.590 -4.146) 36.890 11.664 ( 3.951 9.080 7.484) 12.412 12.091 ( -4.034 7.081 -1.121) 8.226 12.342 ( -9.488 3.554 4.432) 11.059 12.756 ( 1.470 0.154 -2.840) 3.201 13.177 ( 1.559 -13.418 -3.333) 13.913 13.928 ( 9.661 2.198 -0.104) 9.908 15.016 ( 12.640 -16.499 -13.394) 24.726 17.060 ( 2.158 -1.881 6.239) 6.864 19.289 ( 18.220 6.822 -6.740) 20.590 19.417 ( 2.768 0.430 1.985) 3.433 20.140 ( 19.635 5.559 9.383) 22.461 20.622 ( -4.350 1.553 -18.452) 19.021 22.090 ( -24.669 -14.876 4.943) 29.228 23.833 ( 2.354 4.997 0.202) 5.528 24.320 ( -4.055 -5.009 6.606) 9.229 ======================= Grid point 236 (111/361) ======================= q-point: (-0.30 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -2.658 22.207 14.094) 26.436 1.635 ( -6.090 21.463 13.799) 26.232 2.874 ( -13.482 26.045 19.800) 35.385 3.270 ( -4.454 -9.144 0.407) 10.179 3.641 ( -0.898 -12.099 6.727) 13.872 3.739 ( -0.344 -0.617 5.104) 5.153 4.303 ( 2.716 -6.498 -7.776) 10.491 4.924 ( -1.614 -7.991 8.900) 12.069 5.084 ( 0.334 -10.559 -5.039) 11.704 5.361 ( -8.434 -15.346 13.925) 22.372 5.511 ( -12.481 -7.953 9.625) 17.654 5.921 ( -13.868 -3.988 11.296) 18.325 6.040 ( 0.753 1.098 4.969) 5.145 6.648 ( -2.076 -2.355 -3.271) 4.534 7.328 ( -10.041 1.968 5.059) 11.414 7.912 ( 0.744 -3.204 -7.249) 7.960 8.642 ( 4.492 7.198 -0.604) 8.506 9.106 ( -3.248 -14.052 0.470) 14.430 9.437 ( -9.503 -18.833 -0.141) 21.095 9.739 ( 2.667 4.134 6.078) 7.820 10.632 ( 2.257 34.547 -1.861) 34.670 11.701 ( 1.662 12.719 7.116) 14.669 11.970 ( -3.570 6.315 2.244) 7.594 12.238 ( -5.929 2.959 0.503) 6.646 12.784 ( 3.833 1.422 0.925) 4.192 13.236 ( 1.071 -9.918 -7.407) 12.424 13.870 ( 0.729 8.866 -10.830) 14.015 15.125 ( 7.526 -16.002 -16.476) 24.169 17.401 ( 9.905 -13.906 20.787) 26.900 19.274 ( 0.936 -4.670 -16.653) 17.321 19.498 ( 17.074 10.467 -1.209) 20.063 20.240 ( -7.869 5.802 -3.716) 10.460 20.556 ( 17.510 3.328 0.404) 17.828 21.986 ( -22.193 -16.341 10.425) 29.466 23.821 ( 2.240 3.826 -0.584) 4.472 24.272 ( -12.301 -1.205 -2.217) 12.557 ======================= Grid point 237 (112/361) ======================= q-point: (-0.20 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -1.024 18.464 15.713) 24.266 1.658 ( 10.348 15.656 20.499) 27.793 2.859 ( -3.516 22.385 33.403) 40.364 3.299 ( -0.692 -7.207 -2.501) 7.660 3.767 ( 1.197 -6.369 0.323) 6.489 3.831 ( -5.425 -4.435 10.340) 12.491 4.324 ( 4.350 -8.369 -6.766) 11.608 5.090 ( 7.816 -0.795 -4.618) 9.113 5.128 ( -4.289 -8.524 11.652) 15.061 5.449 ( -3.815 -1.974 -1.612) 4.588 5.595 ( -28.263 -21.539 25.740) 43.878 5.989 ( 0.886 -0.838 13.320) 13.376 6.119 ( -2.371 -4.728 7.022) 8.791 6.634 ( 0.410 -2.958 -1.162) 3.205 7.249 ( -7.339 0.434 2.631) 7.808 7.758 ( -7.591 2.974 -8.091) 11.487 8.619 ( 4.669 7.386 1.014) 8.797 9.262 ( -0.055 -15.783 2.074) 15.918 9.515 ( -1.822 -16.201 0.623) 16.315 9.725 ( -0.315 11.941 0.837) 11.974 10.406 ( 3.976 23.459 1.897) 23.869 11.624 ( -0.085 19.040 2.532) 19.208 11.965 ( -2.550 -0.942 6.484) 7.031 12.111 ( -3.511 3.109 -5.955) 7.580 12.816 ( 4.353 6.477 -1.150) 7.889 13.236 ( 2.353 -4.366 -3.992) 6.367 13.634 ( -3.846 8.427 -6.449) 11.287 15.096 ( 1.276 -13.322 -19.856) 23.945 17.960 ( 9.808 -19.919 14.910) 26.744 19.040 ( -11.399 -9.138 -16.678) 22.172 19.654 ( 18.603 6.392 -5.671) 20.472 20.011 ( -9.458 1.367 -5.446) 10.999 20.766 ( 11.185 6.624 7.106) 14.814 22.039 ( -9.945 -14.568 11.541) 21.079 23.818 ( 2.262 1.842 -0.792) 3.023 23.942 ( -16.639 9.884 -8.088) 20.976 ======================= Grid point 238 (113/361) ======================= q-point: (-0.10 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 2.685 12.511 20.232) 23.939 1.981 ( 12.906 10.358 20.292) 26.184 3.160 ( 8.432 14.242 31.471) 35.558 3.319 ( 2.501 -5.677 -4.849) 7.873 3.820 ( 0.112 -7.364 -3.504) 8.156 3.896 ( -6.526 -2.864 9.863) 12.169 4.392 ( 3.258 -7.993 -4.985) 9.968 5.008 ( -2.658 4.700 -7.897) 9.567 5.345 ( -3.117 -1.426 10.044) 10.613 5.374 ( -1.273 -1.885 -3.345) 4.045 5.680 ( -13.840 -4.769 26.807) 30.543 6.165 ( -8.552 -2.791 12.911) 15.736 6.330 ( 1.702 -15.682 13.378) 20.683 6.667 ( -1.757 -3.621 2.947) 4.988 7.109 ( -6.562 1.358 -9.168) 11.356 7.586 ( -5.756 3.930 5.323) 8.770 8.671 ( 2.040 4.766 6.613) 8.403 9.365 ( -2.780 -12.046 -3.402) 12.822 9.587 ( 2.297 10.140 0.724) 10.422 9.674 ( 0.396 -1.423 3.536) 3.832 10.379 ( 8.122 2.977 0.599) 8.671 11.447 ( 0.634 21.724 -0.479) 21.738 11.946 ( -4.167 -0.715 -6.200) 7.504 12.042 ( 2.083 -4.456 -0.542) 4.948 12.765 ( 2.169 12.914 1.275) 13.156 13.314 ( 3.617 -3.086 1.422) 4.963 13.482 ( -2.409 3.786 -0.884) 4.574 14.916 ( -4.236 -9.212 -21.401) 23.681 18.348 ( 8.512 -12.829 3.695) 15.834 18.752 ( -14.300 -11.329 -13.671) 22.798 19.588 ( -7.880 11.143 -7.351) 15.501 19.859 ( -5.213 -0.958 -2.475) 5.850 21.005 ( 12.387 -3.030 8.919) 15.561 22.199 ( 2.283 -7.514 3.320) 8.526 23.529 ( -10.473 14.218 -4.823) 18.305 23.843 ( 3.562 0.180 -0.910) 3.681 ======================= Grid point 242 (114/361) ======================= q-point: ( 0.30 -0.70 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( -11.192 -0.000 -0.866) 11.226 2.695 ( -11.758 -0.000 -6.453) 13.413 3.102 ( -7.635 -0.000 -4.397) 8.811 3.125 ( -8.171 -0.000 -3.235) 8.788 3.594 ( 3.997 0.000 10.841) 11.554 4.161 ( -0.824 -0.000 -19.547) 19.564 4.517 ( 5.054 0.000 -2.762) 5.760 4.520 ( 1.414 0.000 7.717) 7.846 4.697 ( -20.664 -0.000 -3.707) 20.994 5.191 ( -2.108 -0.000 2.119) 2.989 5.582 ( -13.803 -0.000 -1.809) 13.921 5.891 ( -1.190 -0.000 0.462) 1.276 6.668 ( -23.047 -0.000 10.696) 25.409 6.918 ( -8.557 -0.000 -1.841) 8.753 7.385 ( -7.114 -0.000 20.012) 21.239 7.862 ( -0.008 -0.000 -5.690) 5.690 8.213 ( -2.685 -0.000 13.201) 13.472 9.278 ( -6.996 -0.000 4.598) 8.372 9.334 ( -8.358 -0.000 -3.562) 9.085 9.706 ( -1.575 -0.000 -9.968) 10.092 11.286 ( 14.327 0.000 9.565) 17.226 12.028 ( 13.429 0.000 -5.282) 14.431 12.328 ( 1.399 0.000 -0.525) 1.494 12.389 ( -0.368 -0.000 4.402) 4.417 12.724 ( -13.031 -0.000 9.598) 16.184 13.113 ( -7.425 -0.000 -13.097) 15.055 13.226 ( 17.675 0.000 11.062) 20.851 14.497 ( 12.923 0.000 -4.918) 13.827 17.364 ( -5.977 -0.000 -16.541) 17.587 18.750 ( 8.516 0.000 15.608) 17.780 19.319 ( 14.039 0.000 -7.760) 16.041 19.416 ( 12.585 0.000 5.227) 13.628 21.411 ( -2.318 -0.000 -22.908) 23.025 22.230 ( -14.035 -0.000 7.856) 16.084 23.730 ( 6.252 0.000 7.046) 9.419 24.105 ( 1.227 0.000 2.850) 3.103 ======================= Grid point 244 (115/361) ======================= q-point: (-0.60 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -9.757 10.878 1.321) 14.672 2.439 ( -12.072 7.050 -4.531) 14.696 3.012 ( -6.802 -7.178 3.207) 10.396 3.028 ( -9.201 -8.874 0.859) 12.812 3.703 ( -0.712 1.114 4.007) 4.220 3.898 ( -2.218 3.838 -15.352) 15.979 4.320 ( -14.720 8.193 -1.438) 16.908 4.567 ( 1.462 -2.343 3.162) 4.198 4.714 ( 1.744 -14.220 0.729) 14.345 5.230 ( 0.229 -2.174 4.141) 4.683 5.333 ( -17.684 -0.415 -0.927) 17.714 5.919 ( 2.182 0.936 3.087) 3.895 6.379 ( -31.213 1.156 7.699) 32.169 6.780 ( -8.029 -1.580 -2.308) 8.502 7.508 ( -4.785 0.875 12.472) 13.387 7.802 ( 1.046 -2.222 -6.027) 6.508 8.355 ( -1.141 -2.001 12.041) 12.259 9.198 ( -8.139 -2.387 0.476) 8.495 9.212 ( -7.033 -2.057 -2.022) 7.601 9.623 ( 1.710 1.518 -2.007) 3.042 11.545 ( 9.361 2.676 6.184) 11.534 11.984 ( 7.232 25.989 -2.366) 27.080 12.269 ( -0.845 4.391 -2.399) 5.074 12.493 ( -7.947 -6.137 5.570) 11.483 12.688 ( -5.127 -12.228 2.115) 13.427 12.890 ( -4.489 -1.397 -8.076) 9.344 13.643 ( 16.566 -0.899 11.794) 20.355 14.623 ( 14.143 -6.001 -10.102) 18.387 17.122 ( -3.281 0.342 -10.361) 10.873 19.110 ( 13.616 0.545 14.792) 20.112 19.380 ( 11.859 1.663 -9.963) 15.578 19.757 ( 21.791 -1.004 7.872) 23.191 21.052 ( -5.809 2.797 -22.255) 23.170 22.084 ( -19.787 -4.826 4.042) 20.764 23.876 ( 1.906 1.630 7.087) 7.518 24.163 ( 0.966 -1.066 3.664) 3.936 ======================= Grid point 245 (116/361) ======================= q-point: (-0.50 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -10.386 17.583 2.105) 20.529 2.149 ( -6.625 17.165 6.681) 19.574 3.017 ( -8.545 -11.904 3.082) 14.974 3.124 ( -4.216 -14.785 7.184) 16.971 3.608 ( -6.631 11.180 -5.210) 14.004 3.720 ( 0.755 3.685 0.814) 3.848 4.165 ( -2.026 -2.908 -0.138) 3.547 4.669 ( -0.459 -4.227 6.972) 8.166 4.810 ( -2.432 -11.269 -6.435) 13.203 5.121 ( -14.657 -6.154 5.951) 16.974 5.346 ( -1.609 -3.198 8.921) 9.612 5.995 ( -0.311 1.449 5.040) 5.253 6.025 ( -25.503 -0.950 6.544) 26.347 6.664 ( -5.577 -3.152 -4.099) 7.605 7.510 ( -6.266 4.905 4.951) 9.372 7.802 ( 3.659 -5.476 -5.386) 8.508 8.518 ( -0.520 -3.577 11.974) 12.507 9.082 ( -8.019 0.757 -2.094) 8.322 9.147 ( -6.638 -10.179 -1.683) 12.268 9.669 ( 3.291 1.649 5.368) 6.509 11.585 ( 5.352 23.603 -2.553) 24.337 11.840 ( 2.331 15.387 5.455) 16.491 12.178 ( -1.749 2.882 -3.661) 4.977 12.416 ( -12.066 3.751 7.803) 14.851 12.752 ( 3.504 -2.725 -4.169) 6.090 12.887 ( -0.792 -16.612 -1.430) 16.692 13.939 ( 8.304 -0.301 4.435) 9.419 14.748 ( 13.239 -11.567 -14.232) 22.619 17.041 ( 1.647 -0.425 0.753) 1.860 19.348 ( 12.689 0.645 -18.097) 22.111 19.456 ( 9.272 2.887 11.315) 14.911 20.217 ( 26.192 2.706 10.811) 28.464 20.658 ( -8.461 2.013 -20.355) 22.135 21.887 ( -22.065 -7.466 4.690) 23.761 23.920 ( -0.939 4.225 3.800) 5.759 24.236 ( -1.764 -3.972 3.716) 5.718 ======================= Grid point 246 (117/361) ======================= q-point: (-0.40 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -3.613 20.528 9.071) 22.731 2.038 ( -1.301 22.210 11.937) 25.248 3.069 ( -4.870 -10.482 3.862) 12.187 3.207 ( -7.577 -0.718 4.444) 8.813 3.480 ( -0.129 2.687 8.480) 8.896 3.741 ( 0.521 0.629 3.539) 3.632 4.207 ( 3.082 -3.830 -4.823) 6.887 4.760 ( -9.396 -11.173 6.428) 15.951 4.836 ( 2.255 -10.956 4.683) 12.127 5.153 ( -8.915 -8.254 9.993) 15.731 5.421 ( -9.433 -3.325 9.826) 14.021 5.845 ( -11.928 -3.660 10.023) 16.004 6.077 ( 1.489 1.936 4.281) 4.929 6.584 ( -1.848 -4.202 -5.193) 6.931 7.404 ( -6.637 5.989 2.201) 9.207 7.829 ( 2.276 -5.113 -6.581) 8.639 8.699 ( 0.684 -3.676 10.441) 11.090 8.933 ( -7.230 -1.983 -3.444) 8.250 9.151 ( -4.906 -12.150 -0.489) 13.112 9.795 ( 2.920 2.106 8.857) 9.561 11.290 ( 2.535 35.817 -4.950) 36.247 11.857 ( -0.796 5.873 7.265) 9.376 12.081 ( -1.003 3.979 -3.606) 5.462 12.317 ( -8.549 5.670 6.627) 12.213 12.809 ( 6.031 0.515 0.743) 6.099 13.003 ( 0.735 -14.919 -3.789) 15.410 13.969 ( -1.202 2.759 -5.474) 6.247 14.836 ( 9.536 -14.612 -17.464) 24.687 17.226 ( 7.802 -5.992 13.340) 16.575 19.198 ( 0.020 -3.409 -21.483) 21.752 19.653 ( 13.831 6.407 0.419) 15.249 20.280 ( -11.018 0.052 -15.371) 18.912 20.677 ( 24.046 8.056 10.967) 27.630 21.760 ( -16.891 -9.068 9.075) 21.211 23.893 ( -1.484 3.883 1.290) 4.352 24.232 ( -7.193 -2.823 -0.706) 7.759 ======================= Grid point 247 (118/361) ======================= q-point: (-0.30 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 5.461 16.884 11.569) 21.183 1.997 ( 3.268 21.599 12.970) 25.405 3.146 ( -1.190 -8.887 0.006) 8.966 3.210 ( -0.793 11.500 18.091) 21.452 3.615 ( 0.666 -5.866 4.680) 7.534 3.799 ( -3.430 -0.787 8.352) 9.063 4.197 ( 3.231 -4.649 -6.368) 8.521 4.918 ( -5.653 -13.878 15.308) 21.422 5.041 ( 7.952 -5.938 0.402) 9.932 5.259 ( -12.482 -12.439 19.057) 25.956 5.421 ( -8.234 -1.756 7.254) 11.113 5.932 ( -2.664 -4.503 10.808) 12.007 6.112 ( -1.340 1.999 4.953) 5.507 6.568 ( 1.508 -4.157 -3.108) 5.405 7.286 ( -6.502 3.630 0.501) 7.463 7.760 ( -3.450 -1.238 -7.851) 8.664 8.758 ( 0.834 7.581 1.845) 7.847 8.952 ( -4.341 -17.531 3.776) 18.451 9.245 ( 2.209 -12.261 1.925) 12.606 9.893 ( 0.621 6.411 7.782) 10.102 10.940 ( 1.447 33.266 -3.833) 33.518 11.851 ( -5.723 5.561 5.917) 9.934 12.003 ( 2.378 3.502 -3.701) 5.623 12.210 ( -6.045 8.307 1.586) 10.395 12.892 ( 5.571 0.276 -1.811) 5.864 13.112 ( 3.783 -6.901 1.759) 8.064 13.768 ( -7.274 5.374 -7.909) 12.014 14.832 ( 4.046 -14.785 -20.491) 25.590 17.654 ( 10.238 -13.063 17.276) 23.957 18.901 ( -8.769 -6.199 -21.258) 23.816 19.758 ( 13.664 4.782 -7.023) 16.090 19.977 ( -11.917 -3.412 -8.581) 15.076 20.968 ( 11.407 13.794 10.175) 20.589 21.835 ( -1.013 -9.033 10.244) 13.695 23.853 ( -1.449 1.845 0.014) 2.346 24.052 ( -11.007 3.138 -6.216) 13.024 ======================= Grid point 248 (119/361) ======================= q-point: (-0.20 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 5.137 18.769 10.859) 22.285 2.167 ( 12.846 9.770 16.365) 22.985 3.190 ( 0.952 -7.222 -4.079) 8.348 3.406 ( 4.424 7.175 18.895) 20.690 3.682 ( -0.101 -4.573 -1.933) 4.965 3.865 ( -5.533 -0.179 13.233) 14.344 4.260 ( 6.111 -5.629 -3.140) 8.882 5.072 ( -1.124 0.488 0.494) 1.321 5.223 ( 1.857 -8.082 9.048) 12.274 5.393 ( -5.482 1.188 4.284) 7.058 5.522 ( -8.099 -11.999 28.530) 31.993 6.070 ( -4.077 -7.245 5.866) 10.174 6.176 ( -0.240 -0.941 13.331) 13.366 6.609 ( 0.952 -3.177 0.366) 3.337 7.129 ( -8.080 1.176 -7.488) 11.079 7.624 ( -3.949 1.414 -1.228) 4.370 8.757 ( 1.394 4.344 4.095) 6.130 9.083 ( -3.337 -17.559 -0.448) 17.878 9.460 ( 4.584 -11.360 3.929) 12.865 9.893 ( 1.417 13.390 6.470) 14.938 10.651 ( 1.037 24.125 -2.567) 24.283 11.723 ( -9.546 6.305 0.319) 11.444 12.001 ( 2.720 3.181 0.292) 4.196 12.031 ( -0.252 8.233 -7.809) 11.351 12.921 ( 3.456 2.373 -0.898) 4.287 13.260 ( 3.299 -0.813 4.011) 5.257 13.555 ( -5.027 3.322 -1.529) 6.216 14.710 ( -1.219 -12.786 -21.923) 25.409 18.098 ( 7.838 -13.303 11.616) 19.322 18.584 ( -9.609 -7.353 -16.504) 20.464 19.697 ( -3.651 -0.549 -11.563) 12.138 19.834 ( -5.360 0.415 0.414) 5.392 21.061 ( 5.046 8.997 7.151) 12.551 22.096 ( 11.652 -4.375 6.201) 13.906 23.729 ( -10.334 7.254 -6.023) 13.989 23.852 ( 0.645 1.177 -1.917) 2.340 ======================= Grid point 249 (120/361) ======================= q-point: (-0.10 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 4.771 9.758 14.675) 18.258 2.499 ( 14.495 9.097 16.969) 24.100 3.215 ( 2.611 -6.675 -5.661) 9.134 3.564 ( -1.382 -4.593 2.961) 5.636 3.664 ( -2.252 -2.751 -3.002) 4.653 4.039 ( 8.268 2.398 12.277) 14.994 4.340 ( 4.393 -0.822 -1.663) 4.769 4.962 ( -2.216 9.131 -4.716) 10.513 5.318 ( -3.251 0.026 0.526) 3.294 5.380 ( -9.951 0.480 14.887) 17.913 5.954 ( 2.957 -4.466 28.490) 28.989 6.093 ( -10.702 -8.643 7.958) 15.892 6.431 ( 1.339 -6.664 12.959) 14.633 6.638 ( -4.843 -2.739 3.923) 6.808 6.878 ( -6.734 -1.063 -10.489) 12.509 7.630 ( 0.596 -0.810 5.327) 5.421 8.783 ( -3.893 3.195 5.777) 7.664 9.172 ( -2.155 -13.619 -0.632) 13.803 9.564 ( -3.865 -1.910 -0.588) 4.351 9.928 ( 8.555 11.694 8.099) 16.599 10.504 ( 4.540 9.116 -1.606) 10.310 11.497 ( -10.681 2.330 -5.725) 12.340 11.869 ( 3.264 10.016 -3.747) 11.181 12.065 ( 8.082 -0.572 -3.287) 8.743 12.927 ( 0.899 8.022 3.764) 8.906 13.222 ( -7.932 -3.798 -3.347) 9.410 13.606 ( 7.507 3.911 6.559) 10.709 14.505 ( -4.661 -9.311 -19.222) 21.861 18.298 ( -10.313 -9.593 -2.550) 14.314 18.468 ( 10.736 -7.062 -4.715) 13.688 19.437 ( -8.560 8.306 -10.953) 16.193 19.702 ( -15.268 0.917 3.557) 15.704 21.205 ( 8.440 -5.110 3.790) 10.569 22.332 ( 13.278 3.332 0.709) 13.708 23.476 ( -3.717 8.782 -4.224) 10.430 23.862 ( 1.815 -2.116 -0.858) 2.917 ======================= Grid point 254 (121/361) ======================= q-point: ( 0.40 -0.60 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -7.526 -0.000 0.220) 7.529 2.336 ( -3.721 -0.000 8.362) 9.153 2.874 ( -9.344 -0.000 4.824) 10.516 2.950 ( -6.771 -0.000 6.919) 9.681 3.677 ( -4.353 -0.000 -0.124) 4.355 3.766 ( 5.428 0.000 -12.263) 13.411 4.177 ( -8.577 -0.000 1.178) 8.658 4.637 ( -0.312 -0.000 8.937) 8.943 4.684 ( 2.078 0.000 -4.267) 4.746 5.060 ( -17.815 -0.000 3.919) 18.241 5.317 ( -2.175 -0.000 10.268) 10.495 6.012 ( 3.384 0.000 4.154) 5.358 6.014 ( -30.436 -0.000 7.027) 31.237 6.632 ( -4.710 -0.000 -5.641) 7.349 7.572 ( -3.165 -0.000 4.842) 5.785 7.737 ( 1.187 0.000 -4.140) 4.307 8.480 ( -1.998 -0.000 12.110) 12.274 9.044 ( -3.515 -0.000 -5.004) 6.115 9.103 ( -10.126 -0.000 1.687) 10.266 9.685 ( 3.013 0.000 4.996) 5.834 11.735 ( 5.537 0.000 4.844) 7.357 12.119 ( 3.301 0.000 -7.253) 7.969 12.329 ( -6.206 -0.000 0.490) 6.225 12.377 ( 1.916 0.000 1.579) 2.483 12.552 ( -9.998 -0.000 4.811) 11.095 12.793 ( 1.978 0.000 -2.606) 3.272 13.934 ( 7.847 0.000 6.008) 9.883 14.636 ( 13.543 0.000 -14.668) 19.964 17.038 ( 1.661 0.000 -0.866) 1.873 19.351 ( 10.363 0.000 -19.750) 22.304 19.485 ( 11.821 0.000 12.123) 16.932 20.241 ( 28.135 0.000 11.144) 30.262 20.679 ( -9.351 -0.000 -21.009) 22.996 21.818 ( -21.171 -0.000 4.909) 21.733 23.965 ( -3.192 -0.000 6.613) 7.343 24.193 ( 0.084 0.000 1.107) 1.110 ======================= Grid point 256 (122/361) ======================= q-point: (-0.50 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -4.376 11.253 4.625) 12.930 2.408 ( 2.062 15.946 13.993) 21.315 2.883 ( -5.113 -7.671 6.066) 11.036 2.994 ( -6.362 -13.324 5.594) 15.789 3.625 ( 1.900 5.758 0.187) 6.067 3.750 ( 6.500 -0.202 -5.282) 8.378 4.165 ( -1.290 -0.904 6.582) 6.768 4.569 ( -11.851 -6.232 -1.849) 13.516 4.756 ( -0.752 -0.336 10.922) 10.953 5.027 ( -3.575 -4.869 8.322) 10.283 5.380 ( -11.468 -1.173 12.897) 17.298 5.799 ( -11.838 -1.278 8.679) 14.734 6.101 ( 1.850 0.690 3.858) 4.334 6.520 ( -1.054 -2.144 -6.354) 6.789 7.514 ( -4.765 4.594 -0.789) 6.666 7.747 ( 3.493 -3.261 -3.677) 6.029 8.587 ( -5.982 -4.708 10.463) 12.939 8.961 ( -4.199 1.632 -1.622) 4.788 9.005 ( -3.941 -3.627 0.475) 5.377 9.819 ( 2.896 0.642 9.548) 9.998 11.796 ( 3.585 11.590 -0.187) 12.133 12.004 ( -0.475 11.941 -3.712) 12.514 12.143 ( -2.914 7.629 -3.238) 8.785 12.407 ( -8.385 3.156 9.132) 12.793 12.613 ( -0.189 -20.574 -3.784) 20.920 12.874 ( 6.800 0.136 4.833) 8.344 13.995 ( -2.767 0.506 -1.654) 3.263 14.636 ( 11.132 -6.171 -18.303) 22.294 17.161 ( 7.350 -1.563 9.165) 11.852 19.155 ( 0.447 -1.246 -24.286) 24.322 19.731 ( 11.180 2.142 2.139) 11.582 20.275 ( -10.728 -0.239 -19.284) 22.068 20.795 ( 27.986 3.800 13.555) 31.327 21.646 ( -16.178 -3.314 8.786) 18.706 23.951 ( -5.533 2.056 3.432) 6.828 24.185 ( -2.920 -1.772 -1.609) 3.776 ======================= Grid point 257 (123/361) ======================= q-point: (-0.40 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 2.584 12.230 7.711) 14.687 2.411 ( 2.523 22.729 9.679) 24.833 2.980 ( -0.533 -8.366 2.796) 8.837 3.154 ( -1.908 -13.669 8.278) 16.093 3.643 ( 3.540 4.035 2.310) 5.844 3.795 ( 4.611 0.472 0.724) 4.692 4.191 ( -2.125 4.690 4.488) 6.830 4.634 ( -6.963 -16.187 16.901) 24.416 4.911 ( 0.391 -5.688 9.744) 11.290 5.142 ( 1.513 -2.767 6.773) 7.471 5.387 ( -10.789 -1.778 13.277) 17.200 5.867 ( -1.345 -2.341 10.081) 10.436 6.142 ( -0.616 1.006 3.203) 3.413 6.496 ( 2.693 -3.301 -3.615) 5.587 7.363 ( -6.791 3.812 -3.718) 8.630 7.753 ( 2.194 0.975 -4.794) 5.362 8.655 ( -10.234 -13.743 5.542) 18.009 8.883 ( -1.360 5.822 2.534) 6.493 9.074 ( 3.459 -6.713 2.868) 8.078 9.972 ( 1.685 2.571 11.128) 11.545 11.552 ( 1.736 31.617 -8.098) 32.683 11.905 ( -7.284 1.828 3.724) 8.383 12.038 ( 1.801 0.625 -7.430) 7.671 12.367 ( -6.559 7.146 8.327) 12.784 12.731 ( 1.319 -16.124 -5.390) 17.052 13.081 ( 9.459 1.760 10.145) 13.982 13.829 ( -10.532 1.685 -6.275) 12.375 14.593 ( 6.621 -10.275 -21.281) 24.542 17.484 ( 10.533 -5.806 15.335) 19.489 18.813 ( -6.874 -3.326 -24.130) 25.309 19.827 ( 8.423 2.927 -7.013) 11.345 19.920 ( -10.902 -2.629 -11.535) 16.088 21.222 ( 15.259 13.088 12.111) 23.470 21.680 ( 0.250 -8.332 9.784) 12.853 23.881 ( -5.409 1.189 0.850) 5.603 24.082 ( -6.229 0.569 -5.465) 8.306 ======================= Grid point 258 (124/361) ======================= q-point: (-0.30 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 10.863 13.783 7.156) 18.953 2.360 ( 3.857 14.845 9.786) 18.194 3.064 ( 1.912 -6.191 -1.699) 6.699 3.340 ( -0.768 -10.011 5.106) 11.264 3.656 ( -4.367 -2.074 1.388) 5.030 3.913 ( 9.451 2.895 4.405) 10.821 4.236 ( 2.852 4.905 9.635) 11.182 4.944 ( -3.320 -12.283 18.633) 22.563 5.096 ( 0.734 -9.228 6.557) 11.344 5.332 ( 4.760 -4.537 12.486) 14.112 5.417 ( -9.040 0.760 12.927) 15.792 5.989 ( -1.586 -2.034 8.208) 8.603 6.178 ( -1.161 0.268 7.096) 7.195 6.548 ( 3.887 -3.242 -0.980) 5.156 7.155 ( -9.036 1.511 -8.163) 12.270 7.678 ( -0.823 5.168 -2.361) 5.741 8.697 ( -8.677 -16.426 0.806) 18.594 8.890 ( 0.796 2.672 5.129) 5.838 9.275 ( 6.466 -8.539 5.160) 11.889 10.082 ( 0.690 7.271 10.714) 12.967 11.169 ( 0.327 30.440 -8.372) 31.572 11.763 ( -14.277 0.613 -0.966) 14.323 12.007 ( 7.246 -0.359 -7.783) 10.640 12.277 ( -3.481 13.109 3.567) 14.024 12.823 ( 1.350 -11.446 -2.641) 11.824 13.315 ( 6.197 5.268 9.076) 12.188 13.586 ( -9.344 0.017 -2.191) 9.597 14.476 ( 1.626 -11.923 -22.785) 25.768 17.893 ( 9.104 -8.747 14.658) 19.346 18.477 ( -7.119 -4.476 -17.536) 19.447 19.624 ( -8.202 -4.887 -12.066) 15.386 19.869 ( 1.987 1.953 -2.420) 3.690 21.281 ( -0.172 13.416 5.475) 14.491 22.019 ( 16.759 -4.508 9.255) 19.668 23.792 ( -6.919 0.795 -1.850) 7.206 23.895 ( -3.731 2.904 -6.574) 8.098 ======================= Grid point 259 (125/361) ======================= q-point: (-0.20 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 1.747 14.041 5.260) 15.095 2.625 ( 15.631 4.853 13.849) 21.440 3.113 ( 3.489 -4.056 -3.815) 6.571 3.421 ( -0.554 -7.452 -2.594) 7.910 3.608 ( -9.718 -5.790 2.114) 11.508 4.092 ( 15.919 1.581 -3.384) 16.352 4.392 ( 5.003 7.069 13.667) 16.180 5.087 ( -2.334 3.299 2.385) 4.693 5.242 ( -1.292 -6.821 5.461) 8.833 5.427 ( -9.620 3.009 14.764) 17.877 5.719 ( -1.614 -15.901 24.606) 29.342 6.051 ( -1.870 1.357 7.960) 8.289 6.318 ( 0.520 -4.880 12.133) 13.088 6.619 ( 1.181 -0.837 1.763) 2.281 6.877 ( -9.194 0.799 -11.754) 14.944 7.633 ( 1.433 2.261 1.490) 3.064 8.724 ( -8.307 -12.903 1.069) 15.383 8.973 ( 1.452 -3.628 4.576) 6.018 9.480 ( 2.740 -6.085 3.306) 7.447 10.136 ( 1.801 10.394 9.117) 13.943 10.835 ( 2.238 24.078 -6.277) 24.984 11.482 ( -17.337 -0.923 -7.154) 18.778 12.033 ( 8.663 0.983 -7.168) 11.287 12.159 ( 1.937 14.294 2.250) 14.599 12.909 ( 0.061 -8.572 -0.275) 8.577 13.222 ( -11.209 2.382 -1.736) 11.590 13.682 ( 8.434 4.229 10.159) 13.865 14.308 ( -1.519 -11.699 -20.047) 23.261 18.159 ( -4.259 -5.707 2.448) 7.530 18.339 ( 6.936 -6.545 -4.020) 10.349 19.439 ( -6.135 -4.902 -9.302) 12.174 19.786 ( -8.581 5.613 1.080) 10.310 21.216 ( 2.171 5.705 -1.318) 6.245 22.379 ( 16.553 1.730 6.927) 18.027 23.609 ( -4.286 5.557 -5.877) 9.153 23.820 ( -0.863 -2.299 -2.214) 3.307 ======================= Grid point 260 (126/361) ======================= q-point: (-0.10 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -2.781 1.703 6.842) 7.580 2.934 ( 9.505 4.041 8.992) 13.694 3.157 ( 4.291 -2.715 -1.114) 5.199 3.431 ( 3.384 -4.807 -6.601) 8.839 3.550 ( -10.124 -4.390 3.687) 11.634 4.191 ( 15.063 -0.452 -16.265) 22.173 4.576 ( 7.194 9.005 12.791) 17.218 4.968 ( -2.943 9.212 -2.506) 9.990 5.279 ( -6.019 1.177 3.625) 7.124 5.439 ( -10.989 2.008 13.824) 17.774 5.930 ( -12.671 -10.629 7.134) 18.012 6.242 ( -2.142 -2.207 10.990) 11.412 6.527 ( -7.520 -9.296 6.750) 13.731 6.569 ( -1.736 1.833 15.912) 16.111 6.766 ( 2.231 -1.062 1.574) 2.930 7.723 ( 8.169 -1.896 1.227) 8.475 8.707 ( -13.501 -7.082 5.314) 16.145 9.103 ( 1.618 -6.488 4.210) 7.901 9.486 ( -4.085 2.157 -2.188) 5.112 10.200 ( 4.531 5.828 5.475) 9.190 10.690 ( 8.204 14.159 -0.288) 16.367 11.144 ( -16.144 -5.359 -10.929) 20.219 12.045 ( 8.613 8.326 -0.669) 11.998 12.170 ( 7.732 3.942 -0.572) 8.698 12.954 ( -5.026 -9.716 -1.678) 11.067 13.059 ( -5.915 5.051 2.694) 8.231 13.801 ( 2.991 3.650 -2.915) 5.547 14.219 ( 2.893 -5.731 -4.662) 7.934 18.088 ( -5.129 -2.289 -3.019) 6.377 18.511 ( 8.389 -7.199 -3.697) 11.656 19.279 ( -2.292 4.327 -7.991) 9.372 19.565 ( -17.405 7.250 5.522) 19.646 21.243 ( 6.364 -6.672 -5.058) 10.517 22.605 ( 11.194 8.676 4.831) 14.964 23.477 ( 2.242 5.320 -4.291) 7.193 23.832 ( -0.120 -5.209 -0.518) 5.236 ======================= Grid point 266 (127/361) ======================= q-point: (-0.50 0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -0.062 -0.000 4.825) 4.825 2.745 ( 2.610 0.000 13.097) 13.354 2.890 ( 1.093 0.000 5.657) 5.762 2.897 ( -1.835 -0.000 3.766) 4.189 3.673 ( -2.390 -0.000 1.817) 3.002 3.803 ( 14.969 0.000 -10.662) 18.378 4.328 ( 2.856 0.000 16.482) 16.728 4.395 ( -14.694 -0.000 13.986) 20.287 4.861 ( -2.687 -0.000 9.503) 9.875 5.118 ( 6.135 -0.000 4.829) 7.808 5.368 ( -12.472 -0.000 16.603) 20.765 5.846 ( -0.327 -0.000 9.765) 9.770 6.150 ( -0.332 -0.000 2.248) 2.273 6.464 ( 3.222 -0.000 -3.480) 4.743 7.399 ( -7.241 -0.000 -6.531) 9.751 7.774 ( 6.432 -0.000 -2.587) 6.932 8.514 ( -14.427 -0.000 6.504) 15.826 8.960 ( -2.362 -0.000 3.843) 4.511 8.992 ( 4.123 0.000 2.097) 4.626 9.994 ( 2.099 -0.000 12.008) 12.190 11.881 ( -1.119 -0.000 2.084) 2.365 11.982 ( 2.601 0.000 -8.828) 9.203 12.040 ( -5.862 -0.000 -13.014) 14.273 12.441 ( -6.934 -0.000 8.630) 11.070 12.481 ( 1.167 -0.000 2.601) 2.851 13.102 ( 10.419 -0.000 10.669) 14.912 13.843 ( -12.061 -0.000 -5.281) 13.167 14.494 ( 7.858 -0.000 -21.743) 23.119 17.433 ( 10.661 -0.000 14.180) 17.741 18.782 ( -6.177 -0.000 -25.126) 25.874 19.862 ( 7.357 -0.000 -2.862) 7.894 19.888 ( -11.289 -0.000 -16.678) 20.139 21.385 ( 26.889 -0.000 14.084) 30.354 21.564 ( -9.684 0.000 8.452) 12.853 23.893 ( -7.332 -0.000 1.260) 7.439 24.085 ( -4.102 -0.000 -5.409) 6.789 ======================= Grid point 268 (128/361) ======================= q-point: (-0.40 0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 8.899 3.315 7.823) 12.304 2.688 ( -2.522 15.740 1.507) 16.012 2.980 ( 4.379 -2.375 1.578) 5.226 3.129 ( 3.812 -11.626 6.879) 14.037 3.611 ( -9.142 -1.753 0.587) 9.327 3.917 ( 18.980 -0.924 -10.021) 21.482 4.416 ( -3.065 12.076 22.230) 25.483 4.694 ( 0.919 -13.655 19.525) 23.844 4.944 ( -4.101 -4.872 9.452) 11.397 5.299 ( 8.289 -0.646 7.458) 11.169 5.435 ( -7.623 0.847 14.966) 16.817 5.973 ( 0.071 -0.241 9.609) 9.612 6.179 ( -0.582 -0.077 4.155) 4.196 6.503 ( 4.996 -1.416 -1.374) 5.371 7.175 ( -9.244 0.556 -9.573) 13.319 7.801 ( 4.877 6.377 -3.070) 8.595 8.411 ( -15.634 -11.199 5.150) 19.909 8.967 ( -0.365 3.793 3.753) 5.349 9.152 ( 6.754 -4.629 5.876) 10.078 10.166 ( 1.240 2.212 12.657) 12.908 11.659 ( -4.942 16.850 -15.831) 23.642 11.795 ( -8.165 6.485 -0.393) 10.435 11.974 ( 6.210 -4.687 -9.460) 12.249 12.452 ( -4.149 5.454 7.909) 10.465 12.583 ( 0.226 -11.589 1.415) 11.677 13.402 ( 9.840 3.375 12.629) 16.362 13.564 ( -15.101 -1.676 -4.565) 15.865 14.313 ( 3.429 -4.981 -23.521) 24.286 17.786 ( 10.110 -2.920 15.097) 18.402 18.422 ( -5.862 -1.542 -17.911) 18.909 19.559 ( -9.207 -1.891 -13.241) 16.238 19.892 ( 3.460 0.600 -3.686) 5.091 21.490 ( -4.364 7.656 2.983) 9.304 21.936 ( 21.443 -3.699 13.160) 25.430 23.795 ( -6.803 -0.070 -0.594) 6.829 23.933 ( -4.227 1.026 -8.031) 9.133 ======================= Grid point 269 (129/361) ======================= q-point: (-0.30 0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -5.429 10.870 -2.355) 12.376 2.684 ( 14.858 1.854 11.435) 18.841 3.081 ( 7.401 0.785 -0.811) 7.486 3.314 ( 4.136 -4.604 1.730) 6.426 3.484 ( -13.233 -6.516 0.659) 14.765 4.081 ( 20.630 -1.840 -12.490) 24.186 4.569 ( 2.979 11.164 17.713) 21.148 5.037 ( 0.677 -11.395 11.187) 15.983 5.089 ( -5.112 -5.893 15.004) 16.911 5.478 ( -9.114 2.581 14.580) 17.387 5.529 ( 2.600 -4.326 11.352) 12.424 6.089 ( 0.194 2.434 11.044) 11.311 6.249 ( -1.245 -2.893 7.795) 8.408 6.594 ( 6.628 -1.607 0.334) 6.828 6.896 ( -9.698 0.949 -11.740) 15.257 7.735 ( 0.825 8.748 -0.337) 8.793 8.409 ( -12.519 -18.146 3.687) 22.351 8.985 ( 0.788 2.267 3.480) 4.227 9.375 ( 6.301 -4.807 6.297) 10.122 10.286 ( -0.135 5.716 10.436) 11.899 11.238 ( -4.658 14.275 -16.437) 22.263 11.545 ( -11.321 11.604 -2.975) 16.482 12.012 ( 8.657 -3.429 -7.379) 11.881 12.405 ( -1.661 10.956 3.799) 11.715 12.703 ( -1.646 -12.211 0.833) 12.350 13.246 ( -14.559 0.212 -2.642) 14.799 13.748 ( 10.109 2.608 13.981) 17.449 14.110 ( 0.281 -8.876 -21.766) 23.507 18.085 ( 2.454 -2.571 8.152) 8.893 18.243 ( 2.003 -3.780 -5.847) 7.245 19.347 ( -4.859 -4.100 -8.670) 10.751 19.856 ( -2.640 2.080 -1.647) 3.742 21.357 ( -1.912 7.796 -5.038) 9.477 22.394 ( 17.724 0.047 12.542) 21.712 23.676 ( -5.225 1.864 -3.703) 6.670 23.788 ( -1.986 -1.077 -6.488) 6.870 ======================= Grid point 270 (130/361) ======================= q-point: (-0.20 0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -11.002 1.936 -1.485) 11.269 2.965 ( 3.407 0.314 2.940) 4.511 3.148 ( 5.219 1.249 3.919) 6.645 3.373 ( 4.015 -3.102 -1.923) 5.426 3.471 ( 0.685 -2.167 4.190) 4.766 4.180 ( 17.579 -0.969 -18.734) 25.709 4.722 ( 5.351 6.278 9.609) 12.664 5.108 ( -3.627 5.684 0.587) 6.768 5.245 ( -3.576 -5.024 11.932) 13.431 5.490 ( -11.928 3.110 11.902) 17.135 5.701 ( -10.923 -11.316 13.725) 20.874 6.218 ( -1.464 -0.763 9.166) 9.314 6.389 ( -5.516 -5.319 7.534) 10.746 6.625 ( -1.564 3.321 5.778) 6.845 6.759 ( 5.911 -0.427 1.098) 6.027 7.719 ( 5.144 2.383 0.507) 5.692 8.446 ( -13.591 -18.186 4.810) 23.207 9.046 ( 2.336 -1.112 3.678) 4.497 9.515 ( 0.556 0.652 2.631) 2.767 10.324 ( 0.353 7.031 5.935) 9.208 10.881 ( -5.568 3.031 -15.910) 17.127 11.232 ( -8.168 17.076 -1.533) 18.991 12.093 ( 9.913 -1.263 -4.628) 11.013 12.329 ( -0.305 10.263 2.937) 10.679 12.753 ( -5.252 -11.439 -2.053) 12.753 13.099 ( -5.892 -0.218 2.857) 6.552 13.819 ( -3.112 -2.502 -12.463) 13.087 14.138 ( 11.005 -2.063 7.167) 13.294 18.083 ( -2.487 1.594 -0.628) 3.020 18.374 ( 5.980 -7.501 -0.550) 9.609 19.278 ( 1.140 -2.158 -3.456) 4.231 19.716 ( -12.049 6.938 1.863) 14.028 21.210 ( 3.292 2.239 -10.855) 11.562 22.735 ( 11.832 5.478 11.530) 17.405 23.555 ( 1.166 3.060 -5.760) 6.626 23.733 ( -2.008 -5.174 -2.695) 6.170 ======================= Grid point 271 (131/361) ======================= q-point: (-0.10 -0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -13.956 -8.117 0.990) 16.175 2.869 ( -13.888 -8.977 -3.207) 16.845 3.256 ( 3.093 2.266 1.286) 4.044 3.467 ( 3.821 1.238 1.802) 4.402 3.603 ( 10.360 5.965 5.903) 13.332 4.113 ( 8.192 -1.763 -22.151) 23.683 4.824 ( 5.035 2.591 0.138) 5.664 4.973 ( -3.767 8.199 -1.370) 9.127 5.309 ( -6.439 9.025 7.793) 13.552 5.392 ( -11.787 -2.813 6.520) 13.761 5.760 ( -13.917 -6.202 11.010) 18.798 6.104 ( -9.965 0.738 -7.788) 12.669 6.467 ( -3.217 -11.755 9.982) 15.753 6.782 ( -2.350 3.918 8.849) 9.959 6.978 ( 3.883 0.618 26.208) 26.501 7.836 ( 12.506 -2.360 -4.479) 13.491 8.475 ( -16.316 -15.240 9.676) 24.333 9.145 ( 1.290 -1.377 3.843) 4.281 9.446 ( -2.466 5.532 -2.223) 6.452 10.293 ( -4.756 6.322 -2.008) 8.162 10.660 ( -3.699 -11.606 -10.446) 16.047 11.039 ( 3.639 16.404 2.207) 16.948 12.180 ( 7.311 0.323 -2.452) 7.718 12.306 ( -1.352 2.875 5.355) 6.227 12.774 ( 0.310 -8.096 -0.693) 8.131 13.106 ( -0.396 2.322 4.506) 5.084 13.606 ( -6.913 -4.289 -13.547) 15.802 14.418 ( 13.101 3.677 9.418) 16.549 17.978 ( -4.091 1.775 -8.003) 9.162 18.505 ( 7.503 -5.213 -1.632) 9.281 19.285 ( 2.342 6.520 -1.087) 7.013 19.474 ( -13.674 7.104 5.356) 16.314 21.160 ( 6.717 -6.934 -12.529) 15.817 22.892 ( 2.635 11.728 9.183) 15.127 23.530 ( 8.087 2.677 -4.717) 9.737 23.761 ( -1.544 -8.247 1.787) 8.579 ======================= Grid point 278 (132/361) ======================= q-point: (-0.40 0.60 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -12.060 -0.000 -5.716) 13.346 2.699 ( 15.287 0.000 10.321) 18.445 3.112 ( 11.838 0.000 -1.311) 11.910 3.258 ( 7.449 0.000 7.478) 10.555 3.415 ( -15.645 -0.000 -0.773) 15.664 4.059 ( 22.191 0.000 -14.036) 26.258 4.786 ( 5.180 0.000 -0.389) 5.194 4.790 ( -4.010 -0.000 30.215) 30.480 5.041 ( -3.217 -0.000 19.476) 19.740 5.499 ( 1.427 0.000 10.124) 10.224 5.506 ( -6.481 -0.000 11.354) 13.074 6.118 ( 1.624 0.000 13.323) 13.422 6.218 ( -2.738 -0.000 4.804) 5.530 6.576 ( 8.405 0.000 -0.395) 8.415 6.905 ( -9.597 -0.000 -11.638) 15.085 7.873 ( 5.999 0.000 -4.909) 7.752 8.183 ( -19.705 -0.000 9.378) 21.823 9.012 ( -0.195 -0.000 1.935) 1.945 9.327 ( 7.611 0.000 7.884) 10.959 10.339 ( -0.177 -0.000 10.969) 10.971 11.330 ( -14.563 -0.000 -17.435) 22.717 11.822 ( -0.083 -0.000 -6.981) 6.981 11.883 ( 7.027 0.000 -7.014) 9.928 12.536 ( -4.968 -0.000 8.265) 9.644 12.541 ( 0.123 0.000 0.603) 0.616 13.245 ( -16.364 -0.000 -3.177) 16.670 13.771 ( 11.340 0.000 15.408) 19.131 14.023 ( 0.476 0.000 -22.868) 22.873 18.062 ( 5.851 0.000 11.045) 12.499 18.208 ( -0.692 -0.000 -7.422) 7.454 19.308 ( -4.112 -0.000 -9.000) 9.895 19.873 ( -1.118 -0.000 -2.373) 2.623 21.438 ( -2.835 -0.000 -6.781) 7.349 22.391 ( 17.950 0.000 15.308) 23.591 23.689 ( -6.403 -0.000 -1.111) 6.499 23.780 ( -1.557 -0.000 -9.921) 10.043 ======================= Grid point 280 (133/361) ======================= q-point: (-0.30 -0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -17.165 0.552 -5.158) 17.932 2.962 ( -2.737 -0.409 -0.662) 2.845 3.168 ( -0.454 0.256 6.656) 6.677 3.342 ( 13.515 0.495 -1.101) 13.569 3.463 ( 8.042 -0.059 6.334) 10.237 4.160 ( 19.433 -0.821 -19.651) 27.649 4.800 ( 2.307 2.497 1.469) 3.704 5.075 ( -1.825 -6.152 10.218) 12.066 5.227 ( -3.557 2.407 15.798) 16.371 5.531 ( -9.831 1.048 9.508) 13.717 5.580 ( -9.857 -2.470 16.639) 19.497 6.206 ( -4.824 -0.415 4.264) 6.452 6.329 ( -3.119 -1.484 9.122) 9.754 6.680 ( 0.021 2.426 1.490) 2.847 6.739 ( 9.839 -1.537 0.781) 9.989 7.826 ( 1.234 8.685 -0.997) 8.829 8.126 ( -16.041 -14.998 8.654) 23.604 9.036 ( 1.458 -0.147 1.266) 1.937 9.516 ( 4.610 -0.138 6.302) 7.809 10.424 ( -0.576 3.121 6.443) 7.182 10.886 ( -15.105 -0.505 -18.980) 24.262 11.604 ( -1.579 18.479 -5.666) 19.392 12.010 ( 10.055 -7.891 -3.744) 13.319 12.473 ( -8.415 4.770 3.512) 10.291 12.577 ( -2.278 -6.301 -0.222) 6.704 13.083 ( -5.921 -0.771 3.302) 6.823 13.746 ( -3.555 -3.377 -18.447) 19.088 14.134 ( 12.649 0.471 13.750) 18.689 18.139 ( -0.461 4.270 0.638) 4.342 18.246 ( 3.855 -6.226 1.179) 7.418 19.243 ( 3.354 -1.128 -1.404) 3.806 19.794 ( -7.513 1.873 0.178) 7.746 21.270 ( 1.165 2.695 -14.789) 15.077 22.803 ( 11.993 1.909 17.074) 20.952 23.586 ( -4.364 0.396 -2.120) 4.868 23.665 ( 1.353 -1.826 -9.252) 9.528 ======================= Grid point 281 (134/361) ======================= q-point: (-0.20 -0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -20.277 -4.312 -0.475) 20.736 2.704 ( -22.243 -8.086 -5.207) 24.233 3.313 ( 5.894 3.218 3.662) 7.648 3.530 ( 9.224 5.738 3.581) 11.438 3.677 ( 13.565 1.522 5.112) 14.576 4.086 ( 7.814 -1.055 -25.178) 26.384 4.834 ( 1.423 -0.329 -0.607) 1.582 5.065 ( -6.087 -0.853 -3.380) 7.014 5.325 ( -5.924 -0.614 10.008) 11.645 5.434 ( -7.336 2.886 4.280) 8.970 5.708 ( -11.847 1.299 21.984) 25.006 6.125 ( -10.404 1.404 -8.032) 13.219 6.280 ( -4.741 -8.540 7.154) 12.108 6.861 ( 4.717 4.082 5.062) 8.034 6.990 ( 7.172 0.350 25.022) 26.032 7.815 ( 6.471 0.908 -1.346) 6.671 8.154 ( -17.026 -17.117 9.611) 25.986 9.100 ( 3.573 -2.654 1.365) 4.655 9.568 ( -1.422 5.829 1.818) 6.269 10.390 ( -9.774 3.551 -8.811) 13.630 10.535 ( -1.462 -2.739 -5.156) 6.019 11.357 ( -0.443 16.832 -4.069) 17.322 12.161 ( 8.566 -2.931 -3.299) 9.636 12.334 ( -13.748 0.928 6.259) 15.134 12.643 ( 4.852 -6.086 0.834) 7.828 13.124 ( 1.122 0.367 5.616) 5.738 13.512 ( -5.861 -5.196 -14.814) 16.757 14.472 ( 13.590 2.112 12.282) 18.439 18.020 ( -4.205 2.454 -9.625) 10.786 18.412 ( 8.090 -4.390 4.413) 10.208 19.345 ( 7.021 1.332 3.349) 7.891 19.614 ( -14.555 6.225 2.271) 15.992 21.095 ( 5.917 -0.847 -18.400) 19.347 23.082 ( 2.786 8.875 15.976) 18.487 23.554 ( 4.750 -1.516 -2.007) 5.375 23.617 ( 0.047 -5.430 -4.780) 7.234 ======================= Grid point 282 (135/361) ======================= q-point: (-0.10 -0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -21.290 -10.160 4.439) 24.004 2.441 ( -23.107 -16.240 -1.891) 28.306 3.355 ( 3.494 6.681 -0.226) 7.543 3.560 ( -1.005 5.897 -1.352) 6.133 3.788 ( -0.601 0.222 -13.768) 13.782 3.896 ( 2.172 0.342 -1.207) 2.509 4.762 ( -6.567 -0.020 -5.631) 8.651 4.943 ( -4.861 0.250 -2.272) 5.371 5.306 ( -2.109 4.715 3.644) 6.321 5.441 ( -0.641 2.714 5.686) 6.333 5.735 ( -10.549 5.037 11.723) 16.556 5.889 ( -7.902 -0.289 -3.665) 8.715 6.448 ( -1.668 -11.085 9.000) 14.376 6.861 ( -4.356 6.950 4.438) 9.326 7.375 ( -1.699 3.369 28.770) 29.016 7.905 ( 9.795 -1.451 -7.157) 12.217 8.233 ( -13.345 -20.733 12.372) 27.586 9.207 ( 3.570 -0.869 2.316) 4.344 9.454 ( -1.761 7.919 -1.920) 8.337 10.045 ( -12.716 -2.187 -11.859) 17.525 10.595 ( 5.397 0.893 0.627) 5.506 11.220 ( 3.462 8.203 -2.008) 9.127 12.202 ( 0.412 -0.602 -2.575) 2.676 12.271 ( -10.261 -4.852 9.107) 14.553 12.852 ( 12.348 -5.087 3.361) 13.771 13.210 ( 3.153 2.860 5.004) 6.570 13.299 ( -8.410 -4.776 -9.992) 13.906 14.779 ( 15.308 4.963 8.577) 18.235 17.747 ( -5.236 1.479 -19.875) 20.606 18.655 ( 11.238 -1.280 7.790) 13.734 19.301 ( -13.489 10.165 1.305) 16.941 19.517 ( 5.362 2.137 4.741) 7.470 21.005 ( 7.243 -6.971 -17.443) 20.132 23.093 ( -6.636 13.512 8.490) 17.283 23.606 ( 8.820 -1.241 -8.227) 12.125 23.751 ( 1.776 -6.785 13.416) 15.139 ======================= Grid point 290 (136/361) ======================= q-point: (-0.30 -0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -22.837 -0.000 -0.262) 22.839 2.622 ( -25.253 -0.000 -6.428) 26.059 3.347 ( 7.595 0.000 4.578) 8.868 3.637 ( 20.265 0.000 1.574) 20.326 3.648 ( 4.399 0.000 7.137) 8.384 4.077 ( 8.552 0.000 -26.491) 27.837 4.832 ( 0.834 0.000 1.051) 1.342 5.017 ( -9.149 -0.000 -2.535) 9.493 5.348 ( -3.296 -0.000 8.443) 9.064 5.445 ( -6.857 -0.000 1.677) 7.059 5.743 ( -10.712 -0.000 28.438) 30.388 6.152 ( -11.807 -0.000 -8.831) 14.744 6.178 ( -4.376 -0.000 5.262) 6.844 6.906 ( 11.408 0.000 -0.417) 11.415 6.990 ( 7.070 0.000 27.291) 28.191 7.881 ( 4.701 0.000 -5.487) 7.225 7.928 ( -21.669 -0.000 16.571) 27.279 9.073 ( 3.313 0.000 -0.086) 3.314 9.624 ( 0.638 0.000 3.870) 3.922 10.417 ( -15.537 -0.000 -18.940) 24.497 10.521 ( 3.613 0.000 4.434) 5.720 11.545 ( -3.913 -0.000 -9.795) 10.547 12.108 ( 10.225 0.000 -0.898) 10.264 12.352 ( -15.241 -0.000 6.438) 16.545 12.574 ( 2.585 0.000 2.489) 3.589 13.129 ( 2.343 0.000 5.942) 6.387 13.456 ( -4.575 -0.000 -15.620) 16.276 14.492 ( 13.371 0.000 13.219) 18.803 18.047 ( -4.752 -0.000 -11.798) 12.719 18.367 ( 8.623 0.000 8.104) 11.833 19.356 ( 7.704 0.000 5.038) 9.205 19.672 ( -12.831 -0.000 1.447) 12.912 21.094 ( 5.188 0.000 -21.243) 21.867 23.181 ( 4.302 0.000 22.183) 22.597 23.493 ( -6.815 -0.000 0.589) 6.840 23.595 ( 9.347 0.000 -12.061) 15.259 ======================= Grid point 291 (137/361) ======================= q-point: (-0.20 -0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -25.387 -2.736 8.875) 27.032 2.195 ( -28.590 -8.464 -4.292) 30.124 3.468 ( 6.059 4.414 0.775) 7.536 3.636 ( -8.623 0.686 -13.599) 16.117 3.802 ( 0.920 4.343 -7.188) 8.449 3.898 ( 6.503 -2.415 1.090) 7.022 4.774 ( -9.749 1.816 -4.404) 10.850 4.881 ( -4.105 -4.977 0.034) 6.452 5.378 ( 1.087 2.909 3.688) 4.821 5.454 ( 0.600 -0.578 4.472) 4.549 5.820 ( -11.279 1.958 3.312) 11.917 5.935 ( -7.229 4.928 7.263) 11.371 6.265 ( -1.638 -7.581 9.259) 12.078 6.996 ( 5.575 5.894 -1.693) 8.288 7.419 ( 0.971 1.210 29.630) 29.670 7.871 ( -3.559 -5.431 6.330) 9.068 7.908 ( -10.692 -7.719 5.253) 14.196 9.143 ( 5.969 -2.936 -0.633) 6.682 9.616 ( -2.544 6.027 1.258) 6.662 10.004 ( -11.227 -1.365 -16.047) 19.632 10.644 ( 7.145 2.228 3.533) 8.276 11.345 ( -2.958 4.070 -8.502) 9.879 12.184 ( 4.976 -1.313 -5.339) 7.415 12.254 ( -14.768 2.511 13.988) 20.496 12.728 ( 6.112 -6.525 6.972) 11.338 13.222 ( -4.447 -1.358 -9.646) 10.708 13.253 ( 3.803 0.258 2.794) 4.726 14.838 ( 15.189 1.564 10.482) 18.521 17.767 ( -4.800 0.615 -20.981) 21.532 18.634 ( 10.949 -0.707 10.683) 15.313 19.450 ( -14.954 5.042 0.407) 15.786 19.540 ( 5.832 0.300 6.118) 8.458 20.923 ( 8.013 -2.146 -21.648) 23.183 23.321 ( -6.027 11.402 8.498) 15.445 23.512 ( -1.381 -8.679 2.757) 9.211 23.681 ( 11.813 -1.029 5.513) 13.077 ======================= Grid point 292 (138/361) ======================= q-point: (-0.10 -0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -26.693 -4.911 12.772) 29.996 1.922 ( -25.911 -19.777 2.780) 32.715 3.079 ( -26.848 -4.942 -20.659) 34.235 3.571 ( 5.033 4.554 2.756) 7.326 3.731 ( -3.819 7.077 2.687) 8.479 3.925 ( -4.806 1.323 0.647) 5.026 4.615 ( -4.978 0.337 -1.022) 5.093 4.847 ( -4.331 -0.985 -0.847) 4.522 5.435 ( 6.012 5.475 1.959) 8.364 5.502 ( -1.985 1.839 2.844) 3.926 5.702 ( -3.332 -1.425 2.708) 4.523 5.884 ( -6.134 8.897 4.864) 11.851 6.445 ( 0.542 -8.524 6.679) 10.842 6.912 ( -5.879 11.656 2.719) 13.335 7.647 ( -8.794 3.756 17.907) 20.300 7.888 ( -5.283 -3.867 2.418) 6.980 8.080 ( 2.045 -19.286 9.147) 21.443 9.288 ( 8.714 -3.834 0.083) 9.521 9.483 ( -3.228 10.089 -1.078) 10.648 9.760 ( -4.635 -3.733 -8.296) 10.210 10.723 ( 4.808 8.014 0.456) 9.357 11.224 ( -0.233 -2.214 -4.517) 5.036 12.150 ( -3.729 1.848 -0.814) 4.241 12.253 ( -8.436 0.226 13.664) 16.060 12.988 ( 7.571 -3.647 -6.698) 10.746 13.067 ( -4.704 -10.870 6.977) 13.747 13.360 ( 5.422 2.764 3.533) 7.037 15.139 ( 16.490 4.572 5.229) 17.893 17.392 ( -5.656 0.586 -24.883) 25.525 18.940 ( 11.859 -0.584 10.990) 16.179 19.170 ( -13.820 5.134 -1.719) 14.842 19.689 ( 6.290 1.649 4.719) 8.035 20.823 ( 7.299 -5.383 -18.194) 20.329 23.175 ( -10.338 13.543 5.344) 17.856 23.581 ( 6.555 -4.864 -5.515) 9.851 24.002 ( 4.477 -0.954 21.876) 22.350 ======================= Grid point 301 (139/361) ======================= q-point: (-0.20 -0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -27.221 -0.000 21.089) 34.434 1.681 ( -30.947 -0.000 -1.146) 30.968 3.035 ( -30.359 -0.000 -23.214) 38.217 3.612 ( 6.461 0.000 2.016) 6.769 3.830 ( -6.161 -0.000 4.937) 7.895 3.914 ( -2.932 -0.000 -0.476) 2.970 4.618 ( -5.081 -0.000 1.229) 5.227 4.830 ( -2.870 -0.000 -1.157) 3.094 5.491 ( 7.672 0.000 2.226) 7.989 5.518 ( -2.622 -0.000 2.856) 3.876 5.682 ( -3.935 -0.000 2.144) 4.481 5.990 ( -6.287 -0.000 4.720) 7.862 6.344 ( 1.477 0.000 8.921) 9.043 7.074 ( 6.302 0.000 -4.876) 7.968 7.643 ( -12.429 -0.000 8.025) 14.795 7.800 ( -19.167 -0.000 34.662) 39.609 7.932 ( 8.519 0.000 -4.355) 9.567 9.223 ( 9.684 0.000 -1.088) 9.745 9.622 ( -3.678 -0.000 1.186) 3.864 9.714 ( -2.879 -0.000 -12.908) 13.225 10.807 ( 7.822 0.000 2.617) 8.248 11.195 ( -4.167 -0.000 -7.848) 8.885 12.160 ( 3.580 0.000 -6.156) 7.121 12.324 ( -11.904 -0.000 24.090) 26.870 12.843 ( 2.237 0.000 7.328) 7.662 13.016 ( -4.548 -0.000 -9.064) 10.141 13.386 ( 5.582 0.000 3.410) 6.541 15.180 ( 16.278 0.000 6.557) 17.549 17.398 ( -5.383 -0.000 -25.977) 26.529 18.932 ( 10.689 0.000 11.803) 15.923 19.224 ( -14.899 -0.000 -3.975) 15.420 19.705 ( 4.811 0.000 5.836) 7.564 20.772 ( 8.660 0.000 -19.263) 21.120 23.330 ( -8.458 -0.000 3.537) 9.168 23.511 ( 6.037 0.000 -2.419) 6.503 23.992 ( 5.418 0.000 23.263) 23.886 ======================= Grid point 302 (140/361) ======================= q-point: (-0.10 -0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -29.245 0.459 11.879) 31.569 1.472 ( -27.829 -13.873 12.522) 33.522 2.327 ( -42.266 -7.571 -4.584) 43.183 3.679 ( 0.089 3.451 -1.201) 3.655 3.773 ( -3.966 2.757 4.913) 6.889 3.846 ( -6.348 0.605 2.808) 6.968 4.655 ( 0.863 5.482 5.937) 8.127 4.769 ( -1.779 -3.613 -0.018) 4.028 5.478 ( -4.880 1.165 5.461) 7.416 5.615 ( 7.242 3.907 0.936) 8.281 5.734 ( -1.950 -1.654 3.472) 4.312 5.869 ( -4.165 5.136 -4.052) 7.756 6.482 ( 3.263 -3.109 3.176) 5.514 7.007 ( -2.993 17.338 2.438) 17.763 7.549 ( -15.940 -9.068 5.853) 19.250 7.918 ( -4.766 4.276 12.036) 13.633 8.107 ( 7.191 -14.076 4.463) 16.424 9.388 ( 12.379 -3.667 -2.611) 13.172 9.516 ( -2.982 7.644 0.093) 8.206 9.613 ( -0.447 -4.041 -5.502) 6.841 10.860 ( 1.535 12.031 -2.050) 12.300 11.094 ( -2.772 -9.403 -3.304) 10.344 12.135 ( 2.460 3.393 -3.634) 5.547 12.393 ( -11.037 16.014 18.255) 26.674 12.856 ( -3.051 -0.286 -6.903) 7.553 13.075 ( 4.307 -23.870 7.669) 25.439 13.485 ( 4.761 1.439 1.461) 5.184 15.437 ( 15.087 3.055 -0.180) 15.394 17.054 ( -5.246 -0.443 -9.566) 10.919 18.958 ( -10.917 -1.132 -5.747) 12.389 19.230 ( 10.455 -0.279 9.487) 14.120 19.818 ( 2.861 -0.061 3.922) 4.855 20.683 ( 7.610 -1.726 -15.544) 17.392 23.204 ( -10.486 11.186 5.342) 16.237 23.588 ( 8.549 -2.992 -4.790) 10.246 24.372 ( 4.689 2.254 24.635) 25.178 ======================= Grid point 312 (141/361) ======================= q-point: (-0.10 -0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -25.514 -0.000 15.282) 29.741 1.030 ( -36.578 -0.000 -3.036) 36.703 1.910 ( -39.355 -0.000 41.661) 57.310 3.609 ( -5.995 -0.000 -2.852) 6.638 3.728 ( -4.716 -0.000 1.318) 4.896 3.914 ( 0.557 0.000 7.011) 7.033 4.629 ( -2.308 -0.000 -6.038) 6.464 4.933 ( 5.581 0.000 14.738) 15.759 5.477 ( -6.051 -0.000 -11.179) 12.712 5.617 ( -2.614 -0.000 6.916) 7.394 5.713 ( 3.547 0.000 -2.788) 4.512 5.902 ( 1.921 0.000 7.488) 7.731 6.547 ( 4.746 0.000 -0.273) 4.754 7.160 ( 2.767 0.000 0.928) 2.918 7.342 ( -17.049 -0.000 10.807) 20.186 7.973 ( -7.380 -0.000 -4.594) 8.693 8.142 ( 10.457 0.000 -1.560) 10.573 9.498 ( 9.502 0.000 -4.562) 10.541 9.524 ( 4.198 0.000 -2.713) 4.998 9.544 ( -3.752 -0.000 4.161) 5.603 10.761 ( -21.095 -0.000 -9.582) 23.169 11.001 ( 3.623 0.000 -0.775) 3.705 12.168 ( 4.611 0.000 -3.373) 5.713 12.511 ( -11.917 -0.000 -4.988) 12.918 12.688 ( -3.046 -0.000 -9.145) 9.639 12.988 ( -1.814 -0.000 5.862) 6.136 13.551 ( 3.120 0.000 -0.941) 3.258 15.593 ( 10.593 0.000 -7.171) 12.792 17.333 ( 24.716 0.000 43.636) 50.150 18.726 ( -6.032 -0.000 -8.780) 10.653 19.463 ( 5.601 0.000 8.798) 10.429 19.864 ( -0.363 -0.000 0.745) 0.828 20.614 ( 8.760 0.000 -13.098) 15.757 23.204 ( -8.750 -0.000 6.782) 11.071 23.643 ( 8.626 0.000 -4.261) 9.621 24.645 ( -0.225 -0.000 -1.462) 1.479 ======================= Grid point 313 (142/361) ======================= q-point: ( 0.00 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -3.933 -0.000 29.672) 29.932 1.840 ( 8.698 0.000 21.837) 23.506 3.173 ( -6.130 -0.000 33.425) 33.983 3.342 ( -0.929 -0.000 -5.614) 5.691 3.914 ( 4.353 0.000 2.681) 5.112 3.965 ( 0.808 0.000 -8.530) 8.568 4.506 ( 0.057 0.000 0.085) 0.102 4.789 ( 3.520 0.000 -17.533) 17.883 5.409 ( -1.652 -0.000 -1.078) 1.973 5.500 ( -8.883 -0.000 15.699) 18.038 6.074 ( -8.961 -0.000 14.271) 16.851 6.506 ( -6.558 -0.000 15.378) 16.718 6.703 ( -0.367 -0.000 3.389) 3.409 6.899 ( -2.029 -0.000 -10.525) 10.719 6.977 ( -6.102 -0.000 2.308) 6.524 7.812 ( -15.181 -0.000 30.317) 33.905 8.662 ( 3.500 0.000 12.216) 12.707 9.239 ( 2.953 0.000 -3.326) 4.448 9.633 ( -11.421 -0.000 -0.649) 11.439 9.714 ( -0.754 -0.000 -0.489) 0.899 10.431 ( 15.791 0.000 8.830) 18.092 10.867 ( -0.626 -0.000 -7.628) 7.654 11.833 ( 0.426 0.000 -12.849) 12.856 12.305 ( -2.627 -0.000 -6.805) 7.294 12.509 ( -2.649 -0.000 13.613) 13.869 13.248 ( 8.431 0.000 1.725) 8.606 13.453 ( -1.500 -0.000 -3.367) 3.686 14.938 ( -1.207 -0.000 -21.919) 21.952 18.340 ( 8.882 0.000 -9.404) 12.935 19.235 ( -11.375 -0.000 -13.939) 17.991 19.429 ( -16.865 -0.000 -1.345) 16.919 19.634 ( 21.369 0.000 -1.385) 21.414 20.869 ( 24.378 0.000 5.725) 25.041 22.806 ( -38.897 -0.000 -8.135) 39.739 23.303 ( -7.096 -0.000 5.217) 8.807 23.726 ( 8.158 0.000 -3.692) 8.955 ======================= Grid point 314 (143/361) ======================= q-point: ( 0.10 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 0.696 0.881 28.577) 28.599 2.227 ( 10.112 -4.743 17.584) 20.831 3.269 ( 2.738 2.171 -6.921) 7.753 3.506 ( 1.406 -3.919 16.825) 17.332 3.810 ( -0.311 5.944 -10.865) 12.389 4.010 ( 2.916 -3.033 1.493) 4.465 4.416 ( -1.206 7.553 -6.515) 10.047 4.641 ( -0.811 -9.089 -12.075) 15.135 5.430 ( -1.327 1.981 7.472) 7.843 5.556 ( -10.778 -2.792 13.934) 17.836 6.140 ( -6.573 -0.310 12.245) 13.901 6.595 ( -9.869 4.479 14.313) 17.953 6.631 ( -8.968 0.086 8.168) 12.131 6.815 ( 3.345 3.278 -1.097) 4.810 6.963 ( -2.339 1.288 2.141) 3.422 7.975 ( -13.415 5.733 28.794) 32.279 8.793 ( -4.010 -1.420 8.009) 9.069 9.373 ( 7.691 -8.845 -1.017) 11.765 9.489 ( -4.018 4.775 5.065) 8.038 9.688 ( -1.845 -3.644 -1.474) 4.342 10.573 ( 7.116 18.668 -1.143) 20.011 10.993 ( 9.240 -23.754 1.133) 25.513 11.709 ( 4.634 0.104 -13.603) 14.371 12.136 ( -1.461 6.714 -7.726) 10.339 12.677 ( -2.439 -8.658 10.897) 14.130 13.363 ( 0.030 2.775 -1.563) 3.185 13.419 ( 6.743 -3.127 -0.429) 7.445 14.622 ( -4.457 3.289 -18.509) 19.320 18.369 ( 11.808 1.572 -8.827) 14.826 18.772 ( -15.179 10.889 -14.040) 23.368 19.228 ( -16.230 -10.099 -2.172) 19.239 19.794 ( 2.861 -0.350 -2.216) 3.636 21.297 ( 21.022 3.442 10.991) 23.970 22.270 ( -17.615 3.302 -7.507) 19.430 23.300 ( -5.282 -5.999 1.798) 8.192 23.799 ( 7.582 -0.197 -2.940) 8.135 ======================= Grid point 315 (144/361) ======================= q-point: ( 0.20 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 2.626 4.787 21.182) 21.874 2.667 ( 11.873 -8.143 16.892) 22.195 3.195 ( 3.596 4.502 -7.270) 9.276 3.586 ( -1.917 8.161 -11.207) 13.995 3.627 ( -2.673 -4.819 -1.056) 5.611 4.052 ( 3.680 1.285 -8.014) 8.912 4.333 ( 3.640 -2.052 -0.366) 4.194 4.635 ( 0.124 -11.941 -3.591) 12.470 5.454 ( -8.799 3.056 10.326) 13.906 5.617 ( -10.351 -4.268 13.290) 17.378 6.147 ( -6.133 -0.467 2.365) 6.590 6.415 ( -10.356 -0.002 -4.963) 11.484 6.761 ( -3.271 1.944 8.864) 9.646 6.857 ( 2.193 3.552 8.419) 9.397 7.017 ( -4.034 6.071 24.281) 25.351 7.987 ( -10.350 15.306 15.445) 24.083 8.817 ( -12.591 -11.224 7.078) 18.293 9.366 ( -4.177 0.330 0.922) 4.291 9.516 ( 1.045 6.801 -0.716) 6.918 9.907 ( 12.836 -9.620 10.773) 19.323 10.464 ( 0.196 3.501 -4.500) 5.705 11.316 ( 5.256 -4.009 -0.403) 6.623 11.622 ( 9.838 -3.496 -9.344) 14.011 12.026 ( 7.200 4.549 -6.406) 10.657 12.850 ( -2.759 -12.024 6.869) 14.120 13.264 ( -5.958 4.453 0.024) 7.438 13.562 ( 8.839 -4.164 -3.291) 10.310 14.327 ( -3.665 4.750 -11.559) 13.023 18.295 ( -7.724 7.517 -11.563) 15.807 18.453 ( 7.031 0.771 -8.405) 10.985 19.092 ( -11.592 -8.901 -1.095) 14.656 19.712 ( -11.010 -0.880 0.006) 11.046 21.532 ( 5.323 16.528 4.926) 18.049 22.148 ( 8.094 -11.679 -3.582) 14.654 23.308 ( -1.315 -4.644 -0.261) 4.834 23.865 ( 6.191 1.021 -1.821) 6.534 ======================= Grid point 316 (145/361) ======================= q-point: ( 0.30 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -3.820 8.751 11.756) 15.145 3.058 ( 4.809 -0.481 9.053) 10.262 3.157 ( 8.015 -1.856 -0.888) 8.274 3.371 ( 0.283 6.168 -7.914) 10.037 3.557 ( -6.577 -5.469 -4.817) 9.817 3.951 ( 5.290 4.090 -10.854) 12.749 4.460 ( 8.340 -10.369 -5.189) 14.282 4.760 ( 1.641 -10.711 3.008) 11.245 5.376 ( -15.191 0.465 7.155) 16.798 5.622 ( -13.104 -2.876 7.947) 15.593 6.048 ( -9.077 0.138 -0.364) 9.085 6.204 ( -10.444 0.334 -3.981) 11.182 6.777 ( -0.360 1.817 2.370) 3.008 6.930 ( 0.498 6.151 7.534) 9.739 7.318 ( -5.308 4.800 37.145) 37.828 7.847 ( -1.592 12.860 -0.394) 12.964 8.819 ( -18.897 -14.371 9.726) 25.656 9.322 ( -4.415 2.773 3.763) 6.430 9.446 ( 1.634 9.065 -0.500) 9.225 10.175 ( 0.575 -2.062 -1.148) 2.429 10.544 ( 8.699 -12.119 6.385) 16.227 11.128 ( -0.562 18.347 -9.641) 20.734 11.911 ( 17.000 -7.557 2.470) 18.767 12.081 ( 12.221 -0.853 -3.463) 12.730 12.974 ( -3.171 -10.605 2.549) 11.359 13.124 ( -7.932 7.501 3.099) 11.349 13.596 ( -0.271 -3.642 -8.879) 9.601 14.220 ( 6.095 -0.244 -2.589) 6.626 17.987 ( -8.485 1.094 -12.573) 15.207 18.471 ( 6.402 0.749 -3.747) 7.456 19.059 ( -1.944 -6.562 0.208) 6.847 19.555 ( -14.804 -3.728 2.489) 15.467 21.371 ( 2.191 16.994 -8.856) 19.288 22.468 ( 10.625 -14.532 6.737) 19.221 23.348 ( 4.164 -2.379 -1.576) 5.048 23.909 ( 4.227 2.999 0.274) 5.190 ======================= Grid point 317 (146/361) ======================= q-point: (-0.60 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -13.478 11.569 6.370) 18.870 2.999 ( -9.377 6.013 -1.553) 11.247 3.227 ( 1.172 1.790 -1.109) 2.409 3.410 ( 4.901 -2.969 -1.574) 5.943 3.531 ( 1.334 -8.690 -0.577) 8.811 3.891 ( 7.502 3.710 -6.377) 10.522 4.616 ( 10.104 -10.956 -6.891) 16.420 4.852 ( -4.792 -2.084 0.473) 5.247 5.241 ( -15.298 -9.555 3.712) 18.415 5.513 ( -12.270 -1.235 3.316) 12.770 5.900 ( -11.645 -0.387 0.794) 11.678 6.032 ( -9.088 1.358 0.010) 9.189 6.759 ( -3.091 3.136 1.422) 4.627 6.964 ( -0.895 7.157 8.496) 11.144 7.642 ( -7.497 1.178 32.255) 33.136 7.744 ( 7.228 5.404 -8.796) 12.602 8.778 ( -19.237 -9.200 9.627) 23.396 9.272 ( -6.120 4.382 5.652) 9.413 9.408 ( 3.167 5.631 -0.157) 6.462 10.057 ( -11.082 -7.788 -7.946) 15.703 10.835 ( 7.878 17.807 -2.743) 19.664 10.935 ( 8.611 -1.144 6.247) 10.700 12.080 ( 11.109 0.533 -7.804) 13.587 12.386 ( 14.824 -4.678 9.309) 18.119 12.944 ( -6.285 7.366 2.735) 10.061 13.084 ( -1.553 -6.397 2.685) 7.109 13.442 ( -6.995 -0.743 -7.182) 10.053 14.396 ( 13.345 -8.429 -1.023) 15.817 17.681 ( -9.214 -1.059 -16.853) 19.237 18.578 ( 7.597 -0.450 6.382) 9.933 19.136 ( 1.688 -7.192 0.193) 7.390 19.451 ( -9.097 -5.084 2.721) 10.771 21.120 ( 4.193 14.905 -14.635) 21.305 22.787 ( 0.170 -15.641 8.029) 17.582 23.433 ( 10.477 1.218 -2.568) 10.855 23.954 ( 2.973 3.730 5.051) 6.948 ======================= Grid point 318 (147/361) ======================= q-point: (-0.50 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -19.426 11.081 9.584) 24.331 2.679 ( -18.535 10.212 -3.902) 21.519 3.280 ( 2.365 -1.688 1.783) 3.410 3.427 ( -1.724 -1.324 -0.773) 2.307 3.571 ( 1.492 -4.537 -4.855) 6.810 3.933 ( 0.456 -0.796 1.932) 2.139 4.680 ( -9.887 1.967 -2.527) 10.393 4.746 ( 5.094 -8.449 -6.850) 12.011 5.228 ( -6.678 -10.534 2.489) 12.718 5.469 ( -3.607 -5.951 3.032) 7.591 5.759 ( -11.455 -3.020 1.101) 11.898 5.921 ( -7.734 1.705 3.475) 8.648 6.672 ( -5.557 3.222 -0.218) 6.427 6.984 ( -2.738 5.625 8.015) 10.168 7.727 ( 10.207 0.705 -9.715) 14.109 7.851 ( -10.883 -2.087 19.940) 22.813 8.676 ( -15.785 1.164 7.788) 17.640 9.243 ( -6.892 -2.905 7.122) 10.328 9.412 ( 3.864 5.156 -0.115) 6.444 9.889 ( -8.474 -5.527 -3.938) 10.856 10.680 ( 4.489 17.550 -3.517) 18.453 11.191 ( 8.136 -0.747 6.338) 10.340 12.091 ( 7.862 2.266 -9.591) 12.607 12.624 ( -5.218 3.924 12.945) 14.498 12.859 ( 3.922 2.981 -5.452) 7.348 13.203 ( 3.226 -6.006 3.972) 7.890 13.320 ( -2.024 0.235 2.518) 3.239 14.673 ( 15.357 -12.384 -3.734) 20.078 17.344 ( -8.895 0.065 -15.546) 17.911 18.836 ( 10.361 -1.615 10.807) 15.058 19.174 ( -6.248 -6.093 0.368) 8.735 19.494 ( 5.728 -5.061 0.624) 7.669 20.862 ( 4.739 12.566 -16.232) 21.067 22.939 ( -9.379 -16.267 4.258) 19.254 23.528 ( 11.439 5.197 -4.025) 13.194 24.096 ( 4.445 0.464 13.172) 13.909 ======================= Grid point 319 (148/361) ======================= q-point: (-0.40 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -22.608 10.367 14.074) 28.577 2.220 ( -24.615 10.742 -5.059) 27.329 3.130 ( -13.669 15.298 4.368) 20.975 3.559 ( 2.248 -5.744 6.168) 8.723 3.598 ( 0.685 -10.483 -0.339) 10.510 3.901 ( -8.629 -2.822 0.996) 9.133 4.557 ( -5.583 -4.047 -1.194) 6.999 4.776 ( 2.740 -3.374 -2.936) 5.245 5.329 ( 4.046 -9.005 1.436) 9.976 5.509 ( -2.962 -4.857 0.270) 5.695 5.676 ( -8.831 -9.026 -0.761) 12.650 5.879 ( -4.064 2.510 7.563) 8.945 6.550 ( -5.775 1.069 -2.542) 6.400 6.980 ( -6.778 2.616 8.081) 10.867 7.774 ( 10.759 -2.252 -7.924) 13.550 7.859 ( -14.332 -3.102 7.553) 16.495 8.516 ( -10.328 9.386 5.026) 14.833 9.317 ( -4.463 -10.328 5.795) 12.656 9.420 ( 3.212 5.820 3.032) 7.307 9.827 ( 0.223 5.055 1.088) 5.176 10.567 ( -1.905 1.262 -3.427) 4.119 11.318 ( 4.380 6.351 3.870) 8.631 12.034 ( 5.069 2.788 -9.761) 11.347 12.571 ( -14.360 5.092 11.338) 18.991 12.806 ( 0.422 -1.862 -6.330) 6.611 13.294 ( 2.714 -5.282 -1.222) 6.063 13.478 ( 9.954 6.096 7.616) 13.937 14.947 ( 15.605 -13.706 -7.189) 21.979 17.101 ( -5.113 0.544 -3.418) 6.174 19.024 ( -1.655 -0.567 -3.414) 3.836 19.198 ( 6.291 -0.040 9.146) 11.101 19.671 ( 10.693 -5.001 0.022) 11.805 20.630 ( 3.544 9.013 -14.216) 17.201 22.966 ( -13.303 -18.152 2.348) 22.627 23.559 ( 8.986 6.842 -4.376) 12.112 24.366 ( 4.177 -3.349 15.301) 16.210 ======================= Grid point 320 (149/361) ======================= q-point: (-0.30 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -28.819 10.605 0.895) 30.722 1.688 ( -22.640 12.639 12.063) 28.598 2.911 ( -20.369 15.294 24.953) 35.657 3.575 ( -5.238 -5.367 -0.643) 7.527 3.791 ( -1.985 -7.511 -0.134) 7.770 3.823 ( -2.077 -3.270 5.186) 6.474 4.507 ( -4.959 -7.741 -4.853) 10.396 4.902 ( 7.543 -2.708 7.563) 11.019 5.404 ( -5.164 -6.534 -9.503) 12.636 5.517 ( 2.327 -5.048 -0.233) 5.563 5.666 ( -1.451 -4.572 5.065) 6.975 5.952 ( -0.748 0.331 9.999) 10.033 6.457 ( -2.348 -2.873 -2.619) 4.541 6.945 ( -11.509 -3.981 6.136) 13.637 7.735 ( -12.631 -3.910 1.645) 13.324 7.881 ( 5.996 -3.721 -0.765) 7.098 8.342 ( -2.987 15.352 -0.055) 15.640 9.367 ( -0.028 -6.295 -2.389) 6.734 9.524 ( 1.175 1.110 9.334) 9.473 9.780 ( 4.797 15.656 1.092) 16.411 10.508 ( -11.635 -15.750 -3.280) 19.855 11.304 ( 2.283 13.220 1.076) 13.458 11.974 ( 3.707 -1.043 -6.790) 7.806 12.440 ( -13.286 1.292 4.596) 14.118 12.777 ( -1.979 -1.398 -0.024) 2.423 13.320 ( 3.183 -0.019 -8.543) 9.117 13.553 ( 5.601 10.678 -0.074) 12.058 15.168 ( 13.510 -12.593 -10.677) 21.333 17.221 ( 7.809 -5.636 19.879) 22.089 18.873 ( 0.578 7.763 -9.759) 12.483 19.408 ( 5.199 -2.196 5.776) 8.076 19.866 ( 11.210 -0.080 1.783) 11.352 20.447 ( 2.347 4.557 -12.007) 13.055 22.984 ( -14.984 -22.527 3.864) 27.330 23.571 ( 8.610 5.998 -3.945) 11.210 24.575 ( -1.601 -3.893 5.957) 7.295 ======================= Grid point 321 (150/361) ======================= q-point: (-0.20 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -17.173 11.563 15.147) 25.653 1.504 ( -17.149 12.554 19.423) 28.792 2.887 ( -25.827 7.889 37.844) 46.491 3.519 ( -5.957 -3.838 -2.010) 7.365 3.736 ( -1.146 -1.239 -0.984) 1.954 3.963 ( 2.666 -4.190 2.310) 5.477 4.455 ( -3.045 -7.376 -4.090) 8.966 5.068 ( -1.181 -0.831 -5.985) 6.157 5.282 ( -0.690 -2.740 7.113) 7.653 5.571 ( 0.741 -3.543 -4.357) 5.664 5.812 ( 6.525 0.398 7.711) 10.109 6.095 ( -0.106 -3.506 12.838) 13.309 6.496 ( 3.486 -5.390 0.663) 6.453 6.892 ( -14.144 -14.962 1.703) 20.660 7.617 ( -11.909 -4.279 -1.076) 12.700 7.872 ( -9.317 8.932 0.504) 12.916 8.245 ( 8.267 10.064 4.842) 13.895 9.439 ( 1.823 -8.884 1.605) 9.210 9.519 ( 0.057 9.124 -4.178) 10.035 9.798 ( 7.688 12.261 8.285) 16.676 10.371 ( -23.772 -19.613 -5.270) 31.266 11.182 ( 2.417 18.037 -2.236) 18.335 12.007 ( 4.706 -5.784 -4.057) 8.489 12.306 ( -11.200 -1.533 2.814) 11.650 12.711 ( -3.359 6.558 -3.311) 8.078 13.173 ( 0.778 7.891 -6.415) 10.199 13.530 ( 2.258 3.329 -1.452) 4.277 15.262 ( 9.088 -8.852 -16.427) 20.756 17.884 ( 21.696 -19.568 24.189) 37.931 18.728 ( 13.046 15.974 -6.636) 21.666 19.509 ( -2.944 -9.439 -0.635) 9.908 19.984 ( 3.293 11.454 4.355) 12.689 20.342 ( 10.035 -0.919 -12.028) 15.692 23.053 ( -16.073 -27.102 5.793) 32.037 23.600 ( 8.994 4.293 -3.937) 10.716 24.428 ( -17.596 4.073 -11.076) 21.187 ======================= Grid point 322 (151/361) ======================= q-point: (-0.10 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 6.371 4.504 27.677) 28.755 1.494 ( -10.713 6.679 25.768) 28.694 2.947 ( -23.138 3.885 38.195) 44.825 3.433 ( -4.377 -1.722 -3.749) 6.015 3.796 ( 6.041 -1.179 1.812) 6.416 4.017 ( 2.082 -1.401 -3.342) 4.179 4.467 ( -0.284 -5.192 0.174) 5.202 4.919 ( 3.115 2.215 -11.709) 12.317 5.428 ( -7.058 -0.972 14.934) 16.546 5.495 ( -2.455 -0.680 -6.596) 7.070 5.993 ( 1.670 1.625 10.605) 10.858 6.330 ( 3.402 -4.179 12.784) 13.873 6.619 ( 4.333 -2.523 2.479) 5.594 6.888 ( -10.987 -23.825 -1.648) 26.288 7.307 ( -11.340 12.585 -13.211) 21.483 7.724 ( -17.162 5.708 22.921) 29.198 8.434 ( 7.626 1.472 11.140) 13.581 9.345 ( -1.638 7.227 -6.755) 10.027 9.603 ( 1.395 -11.448 2.556) 11.813 9.846 ( -0.332 14.621 3.288) 14.990 10.193 ( -10.188 -15.184 2.322) 18.432 11.015 ( 2.311 15.249 -4.790) 16.150 11.995 ( -0.199 -0.515 -10.512) 10.527 12.290 ( -4.909 -10.632 4.759) 12.641 12.530 ( -2.918 13.515 0.834) 13.852 13.141 ( 4.159 1.914 1.336) 4.770 13.505 ( 0.506 0.784 -3.086) 3.224 15.175 ( 3.746 -4.227 -21.135) 21.877 18.330 ( 5.571 -8.990 -7.424) 12.921 19.046 ( 37.139 5.031 10.314) 38.871 19.482 ( -10.439 -16.898 -6.912) 21.031 19.802 ( -8.619 17.002 -3.365) 19.357 20.505 ( 21.826 -0.535 -1.938) 21.918 23.134 ( -20.225 -30.937 2.971) 37.081 23.632 ( 3.608 7.421 -4.677) 9.484 23.775 ( -26.841 16.862 -11.234) 33.630 ======================= Grid point 324 (152/361) ======================= q-point: ( 0.10 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 5.396 0.000 28.092) 28.606 2.528 ( 8.636 0.000 13.983) 16.435 3.243 ( 4.681 0.000 -8.407) 9.623 3.574 ( -2.660 -0.000 -1.008) 2.845 3.674 ( -2.245 -0.000 -11.684) 11.898 4.049 ( 7.592 0.000 -7.319) 10.545 4.357 ( -0.936 -0.000 -6.968) 7.031 4.480 ( -0.203 -0.000 -0.086) 0.221 5.529 ( -4.577 -0.000 9.563) 10.602 5.532 ( -14.629 -0.000 14.589) 20.661 6.142 ( -5.855 -0.000 2.421) 6.336 6.413 ( -10.609 -0.000 -5.354) 11.883 6.781 ( -4.939 -0.000 11.823) 12.813 6.891 ( 4.417 0.000 1.812) 4.774 7.071 ( -4.900 -0.000 25.555) 26.021 8.181 ( -14.591 -0.000 28.357) 31.891 8.655 ( -15.964 -0.000 -3.051) 16.253 9.351 ( 0.022 0.000 -1.563) 1.563 9.649 ( 2.016 0.000 -1.864) 2.746 9.767 ( 15.080 0.000 16.829) 22.597 10.520 ( -7.512 -0.000 -10.792) 13.149 11.245 ( 21.400 0.000 10.978) 24.051 11.611 ( 6.599 0.000 -15.428) 16.780 12.091 ( 5.466 0.000 -7.598) 9.359 12.711 ( -4.276 -0.000 8.502) 9.517 13.307 ( -5.516 -0.000 0.505) 5.539 13.523 ( 9.556 0.000 -4.278) 10.470 14.371 ( -5.104 -0.000 -11.892) 12.941 18.408 ( -12.808 -0.000 -18.111) 22.182 18.430 ( 10.522 0.000 -8.547) 13.555 18.992 ( -12.360 -0.000 5.065) 13.357 19.705 ( -11.321 -0.000 -0.639) 11.339 21.766 ( 18.087 0.000 14.258) 23.031 21.967 ( -6.002 -0.000 -14.031) 15.261 23.261 ( -0.137 -0.000 1.112) 1.121 23.874 ( 7.126 0.000 -1.946) 7.387 ======================= Grid point 325 (153/361) ======================= q-point: ( 0.20 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 1.178 9.692 12.736) 16.047 2.958 ( 8.381 -8.457 19.222) 22.610 3.170 ( 1.480 1.650 -8.424) 8.711 3.465 ( -3.985 -0.064 -8.547) 9.431 3.488 ( -3.425 1.279 -7.516) 8.358 4.010 ( 8.392 2.183 -13.884) 16.369 4.315 ( 5.065 -4.533 -5.730) 8.890 4.576 ( 0.906 -7.114 5.404) 8.980 5.437 ( -14.969 5.179 8.016) 17.753 5.545 ( -13.455 -5.206 7.841) 16.420 6.048 ( -7.726 -0.028 -1.393) 7.850 6.207 ( -10.397 -0.004 -3.389) 10.935 6.813 ( -0.368 1.679 3.405) 3.815 6.987 ( 4.879 0.802 2.661) 5.615 7.382 ( -8.994 1.883 37.153) 38.273 8.135 ( -11.988 18.061 6.650) 22.675 8.490 ( -18.469 -19.713 6.381) 27.757 9.353 ( -0.974 0.956 3.189) 3.468 9.608 ( 0.026 5.731 -2.453) 6.234 10.192 ( 2.079 4.268 0.665) 4.794 10.331 ( 6.628 -10.382 5.277) 13.400 11.462 ( 10.376 15.440 -8.492) 20.449 11.753 ( 19.616 -9.060 7.818) 22.978 12.107 ( 9.985 2.306 -5.930) 11.840 12.774 ( -3.530 -8.414 4.586) 10.212 13.222 ( -8.133 2.866 3.247) 9.214 13.538 ( 2.885 -1.979 -10.002) 10.596 14.223 ( 0.809 0.228 -5.083) 5.153 18.012 ( -9.988 1.106 -17.317) 20.021 18.468 ( 5.219 -0.577 -2.699) 5.904 18.968 ( -1.822 -2.703 3.583) 4.844 19.511 ( -15.018 -1.144 1.020) 15.096 21.666 ( 1.517 12.813 -14.851) 19.673 22.215 ( 9.403 -11.229 11.900) 18.871 23.313 ( 5.122 -1.165 0.645) 5.292 23.946 ( 5.650 1.021 -0.411) 5.756 ======================= Grid point 326 (154/361) ======================= q-point: (-0.70 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -8.743 13.289 3.673) 16.326 3.055 ( -5.767 -0.430 -6.307) 8.557 3.289 ( -3.402 3.197 -4.473) 6.465 3.311 ( 4.419 -7.883 2.920) 9.497 3.423 ( 0.031 -1.197 5.554) 5.682 3.953 ( 10.464 3.206 -11.987) 16.232 4.417 ( 9.197 -9.320 -5.664) 14.266 4.717 ( -1.991 -10.953 3.810) 11.766 5.206 ( -18.745 4.889 2.067) 19.482 5.457 ( -13.978 -4.952 3.282) 15.188 5.902 ( -10.108 0.509 -0.810) 10.153 6.046 ( -8.955 0.202 -0.002) 8.957 6.821 ( -1.026 4.047 2.034) 4.645 7.054 ( 0.883 1.825 3.179) 3.771 7.662 ( -13.469 0.893 34.242) 36.807 7.882 ( -2.653 9.179 -6.201) 11.391 8.525 ( -16.637 -14.856 11.328) 25.017 9.364 ( -3.251 3.595 5.480) 7.316 9.515 ( -0.716 4.526 -2.112) 5.046 9.944 ( -11.538 -3.300 -11.870) 16.880 10.793 ( 16.331 -4.500 13.755) 21.821 11.342 ( 11.155 24.900 -5.194) 27.775 12.093 ( 11.962 1.254 -4.693) 12.911 12.292 ( 16.902 -5.964 9.079) 20.092 12.883 ( 0.487 -10.117 3.318) 10.659 13.102 ( -10.217 5.063 4.221) 12.159 13.403 ( -5.433 -2.725 -10.039) 11.736 14.267 ( 9.510 -5.204 -4.441) 11.715 17.666 ( -9.005 -0.586 -16.816) 19.084 18.564 ( 4.910 -0.917 6.869) 8.493 19.042 ( 4.148 -3.092 -0.218) 5.178 19.373 ( -8.543 -3.164 2.127) 9.355 21.379 ( 2.689 12.335 -17.564) 21.631 22.527 ( -0.534 -12.020 9.908) 15.586 23.445 ( 10.247 0.228 1.986) 10.440 24.007 ( 3.847 2.042 2.166) 4.864 ======================= Grid point 327 (155/361) ======================= q-point: (-0.60 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -13.956 13.503 4.169) 19.862 2.804 ( -14.980 3.610 -7.756) 17.250 3.218 ( -0.152 -3.525 0.215) 3.535 3.380 ( -1.615 -7.015 -0.885) 7.253 3.547 ( 2.259 3.658 4.344) 6.112 3.936 ( 4.520 0.794 -6.621) 8.056 4.566 ( 6.786 -10.120 -4.387) 12.951 4.719 ( -13.136 -0.029 -0.495) 13.145 5.006 ( -8.338 -9.960 2.184) 13.171 5.369 ( -7.408 -5.067 1.414) 9.086 5.737 ( -11.859 0.115 -0.109) 11.860 5.948 ( -7.019 1.107 3.558) 7.947 6.740 ( -5.979 4.998 -0.084) 7.794 7.066 ( -3.549 1.643 4.261) 5.784 7.757 ( 5.433 2.621 -9.067) 10.890 7.817 ( -17.565 -1.328 24.695) 30.334 8.561 ( -12.525 -9.665 9.951) 18.690 9.312 ( -5.861 6.696 4.499) 9.972 9.484 ( 1.401 1.657 0.359) 2.200 9.710 ( -10.276 -9.418 -7.516) 15.837 11.104 ( 9.490 15.497 0.728) 18.187 11.244 ( 11.877 15.280 5.973) 20.254 12.131 ( 8.750 2.152 -8.268) 12.230 12.641 ( 6.281 -2.992 7.244) 10.044 12.943 ( -8.006 5.408 -0.945) 9.708 13.079 ( 4.230 -6.837 6.373) 10.259 13.271 ( -1.822 -4.906 -0.462) 5.253 14.443 ( 13.765 -11.758 -7.368) 19.545 17.346 ( -8.430 0.094 -14.153) 16.473 18.799 ( 7.729 -2.203 12.456) 14.824 19.103 ( 2.766 -1.744 -1.387) 3.552 19.405 ( 4.853 -4.501 1.280) 6.742 21.082 ( 1.911 10.896 -18.076) 21.193 22.660 ( -9.453 -13.541 4.603) 17.144 23.615 ( 10.782 4.018 2.165) 11.708 24.100 ( 3.182 0.028 7.658) 8.293 ======================= Grid point 328 (156/361) ======================= q-point: (-0.50 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -16.800 13.396 9.889) 23.653 2.395 ( -20.926 8.452 -7.427) 23.759 3.326 ( 1.512 -3.128 3.392) 4.855 3.398 ( -2.597 -7.530 0.678) 7.994 3.525 ( -2.761 6.395 4.206) 8.137 3.858 ( -7.863 -1.858 -1.962) 8.315 4.489 ( -12.543 -2.955 -2.995) 13.230 4.682 ( 4.265 -6.264 -0.412) 7.589 5.118 ( 1.020 -14.359 0.424) 14.401 5.381 ( -1.324 -7.074 0.298) 7.203 5.578 ( -12.094 -2.271 1.991) 12.465 5.922 ( -3.636 2.061 6.880) 8.050 6.579 ( -9.550 2.814 -1.575) 10.080 7.021 ( -9.451 0.298 4.555) 10.496 7.735 ( 6.714 -1.768 -9.262) 11.575 7.806 ( -16.379 -1.801 11.960) 20.361 8.591 ( -7.667 -1.549 8.690) 11.692 9.232 ( -5.049 1.526 3.165) 6.151 9.508 ( 2.255 3.487 2.824) 5.022 9.668 ( -7.087 -16.436 0.634) 17.910 10.909 ( 4.413 29.861 -4.674) 30.545 11.437 ( 9.001 6.775 7.694) 13.642 12.098 ( 5.793 3.792 -9.068) 11.409 12.686 ( -14.008 5.898 11.183) 18.870 12.775 ( 0.172 -1.338 -9.289) 9.387 13.158 ( -0.662 -9.121 -1.377) 9.248 13.530 ( 13.949 -0.067 9.864) 17.084 14.667 ( 14.965 -16.024 -10.244) 24.200 17.110 ( -5.473 0.401 -5.227) 7.579 19.012 ( 3.307 -0.597 0.559) 3.406 19.201 ( 9.013 0.397 6.976) 11.404 19.592 ( 13.630 -3.562 0.912) 14.117 20.790 ( -0.208 8.165 -16.227) 18.167 22.647 ( -15.049 -15.820 1.150) 21.865 23.697 ( 7.627 7.952 -0.610) 11.035 24.296 ( 2.356 -4.309 12.463) 13.396 ======================= Grid point 329 (157/361) ======================= q-point: (-0.40 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -22.794 14.463 0.621) 27.002 1.929 ( -17.889 13.615 12.102) 25.531 3.226 ( -11.375 16.590 11.622) 23.231 3.452 ( -5.404 -8.046 -0.361) 9.699 3.619 ( -0.670 -9.300 7.239) 11.804 3.771 ( -4.625 -2.763 2.044) 5.762 4.358 ( -5.794 -8.182 -6.522) 11.960 4.830 ( 5.689 -4.884 5.619) 9.370 5.210 ( -3.930 -14.163 -5.414) 15.663 5.433 ( -0.691 -4.247 1.277) 4.488 5.557 ( -3.171 -6.320 8.015) 10.688 5.975 ( -0.357 1.804 8.223) 8.426 6.404 ( -11.067 -1.889 -0.568) 11.242 6.906 ( -13.980 -2.205 2.344) 14.345 7.652 ( -11.155 -3.845 -0.782) 11.825 7.817 ( 4.280 -3.116 -1.048) 5.397 8.577 ( -2.891 9.232 6.746) 11.794 9.216 ( -4.143 -7.038 -0.390) 8.176 9.581 ( 3.364 3.671 7.990) 9.414 9.758 ( -7.082 -18.599 1.457) 19.955 10.614 ( -0.079 27.763 -4.377) 28.106 11.540 ( 6.490 11.926 5.128) 14.513 12.010 ( 3.268 4.313 -8.454) 10.037 12.512 ( -13.459 5.155 4.558) 15.116 12.745 ( -1.121 -1.615 0.824) 2.132 13.217 ( 2.217 -9.106 -5.991) 11.123 13.737 ( 9.201 7.352 0.038) 11.778 14.889 ( 13.396 -17.363 -11.834) 24.919 17.125 ( 2.337 -4.496 11.196) 12.289 18.998 ( 7.162 4.935 -8.347) 12.055 19.381 ( 4.261 0.041 2.882) 5.144 19.875 ( 19.714 0.926 3.795) 20.097 20.531 ( -3.093 4.387 -12.181) 13.311 22.584 ( -18.399 -19.908 1.851) 27.171 23.702 ( 6.458 8.213 -1.898) 10.618 24.487 ( -2.903 -5.651 8.593) 10.686 ======================= Grid point 330 (158/361) ======================= q-point: (-0.30 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -12.946 18.181 13.066) 25.862 1.759 ( -15.532 14.603 17.558) 27.619 3.099 ( -18.329 14.216 25.034) 34.128 3.423 ( -6.649 -6.577 -0.758) 9.383 3.686 ( 1.511 -4.451 -2.478) 5.313 3.873 ( -0.652 -5.035 8.710) 10.082 4.295 ( -1.206 -9.128 -7.794) 12.063 5.018 ( 1.831 -4.876 0.444) 5.227 5.193 ( -3.295 -7.528 3.791) 9.049 5.493 ( 0.078 -4.510 1.051) 4.632 5.752 ( 4.142 -7.404 10.833) 13.760 6.061 ( -0.847 0.444 8.259) 8.314 6.333 ( -10.213 -9.771 5.574) 15.194 6.741 ( -12.853 -4.028 -1.244) 13.527 7.530 ( -10.750 -4.294 0.224) 11.578 7.888 ( 1.164 -3.649 -1.642) 4.168 8.513 ( -0.056 15.549 6.074) 16.694 9.251 ( -1.364 -11.159 0.396) 11.249 9.677 ( 2.911 7.016 3.471) 8.351 9.802 ( -10.878 -19.030 -0.577) 21.928 10.328 ( -1.901 23.238 -0.175) 23.316 11.530 ( 5.640 19.018 1.504) 19.894 11.943 ( 2.986 -0.513 -4.938) 5.794 12.346 ( -10.907 4.225 3.001) 12.076 12.761 ( -1.056 0.572 1.957) 2.296 13.209 ( 2.222 -4.350 -9.895) 11.035 13.682 ( 2.231 11.308 -4.467) 12.362 15.035 ( 9.048 -15.556 -15.564) 23.793 17.547 ( 11.884 -16.369 20.782) 29.001 18.965 ( 15.929 8.045 -11.117) 21.025 19.388 ( -2.601 -1.975 -3.960) 5.133 20.184 ( 15.744 9.664 8.100) 20.171 20.322 ( -0.370 -0.909 -11.481) 11.523 22.555 ( -20.346 -24.933 5.037) 32.572 23.697 ( 6.545 6.422 -2.654) 9.546 24.459 ( -13.092 -0.895 -2.163) 13.300 ======================= Grid point 331 (159/361) ======================= q-point: (-0.20 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 4.135 12.444 23.435) 26.855 1.682 ( -11.620 12.556 22.072) 27.926 3.087 ( -15.544 10.980 31.304) 36.635 3.372 ( -4.608 -4.881 -2.930) 7.324 3.752 ( 5.628 -3.825 -1.845) 7.050 3.980 ( -0.561 -2.007 4.116) 4.614 4.314 ( 1.726 -10.412 -3.911) 11.256 4.963 ( 2.166 1.550 -8.404) 8.816 5.370 ( -3.789 -5.806 13.613) 15.277 5.485 ( -3.678 -0.077 -0.182) 3.684 6.035 ( 5.678 1.383 9.235) 10.929 6.179 ( -1.789 -12.352 10.911) 16.578 6.398 ( -15.087 -16.440 13.496) 26.077 6.648 ( -1.217 -4.075 -1.374) 4.469 7.388 ( -9.835 -0.555 -5.874) 11.469 7.830 ( -10.023 2.096 4.748) 11.287 8.527 ( 3.225 9.175 11.600) 15.137 9.387 ( 1.307 -12.100 2.155) 12.359 9.568 ( 0.153 14.335 -4.685) 15.082 9.818 ( -13.399 -20.853 0.377) 24.789 10.173 ( 4.769 19.932 4.668) 21.020 11.394 ( 4.119 23.399 -2.372) 23.876 11.957 ( 3.359 -3.355 -7.452) 8.836 12.199 ( -9.558 0.405 2.273) 9.833 12.726 ( -1.103 7.502 1.380) 7.708 13.174 ( 4.290 -0.139 -3.480) 5.525 13.561 ( -0.809 6.324 -2.704) 6.925 15.027 ( 3.861 -11.746 -20.163) 23.652 18.073 ( 9.469 -17.051 6.611) 20.594 19.087 ( 15.477 -7.809 -9.269) 19.658 19.297 ( 2.953 2.786 -3.585) 5.416 20.053 ( -9.325 8.705 -4.597) 13.560 20.520 ( 21.690 3.994 2.874) 22.241 22.572 ( -22.118 -27.739 6.027) 35.986 23.707 ( 6.857 4.085 -3.253) 8.619 24.071 ( -22.495 11.577 -8.485) 26.684 ======================= Grid point 332 (160/361) ======================= q-point: (-0.10 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -5.894 6.002 26.903) 28.188 1.894 ( 9.704 5.986 20.740) 23.667 3.255 ( -3.230 8.080 29.182) 30.451 3.313 ( -1.903 -2.852 -3.984) 5.256 3.830 ( 3.358 -6.665 -5.128) 9.055 4.002 ( -0.124 1.916 1.180) 2.253 4.400 ( 1.738 -9.551 -3.411) 10.290 4.857 ( 3.437 5.407 -12.444) 13.997 5.397 ( -1.970 -1.008 -0.970) 2.417 5.521 ( -8.209 1.711 16.867) 18.837 6.081 ( -10.573 0.406 14.279) 17.772 6.433 ( -3.619 -7.755 12.580) 15.215 6.583 ( -4.840 -16.037 11.625) 20.390 6.716 ( 3.010 -5.270 1.493) 6.250 7.114 ( -8.388 5.410 -9.431) 13.732 7.811 ( -13.309 -1.377 20.657) 24.612 8.674 ( 2.441 2.596 11.900) 12.422 9.397 ( 3.577 14.457 -1.512) 14.970 9.492 ( -4.277 -9.572 -0.681) 10.506 9.791 ( -8.115 -1.848 1.527) 8.461 10.258 ( 11.391 -3.966 3.866) 12.666 11.184 ( 3.211 24.605 -3.755) 25.096 11.843 ( 0.771 0.964 -13.154) 13.211 12.167 ( -4.688 -8.773 -1.137) 10.011 12.674 ( -0.783 11.637 7.497) 13.864 13.253 ( 7.777 -0.185 0.838) 7.824 13.469 ( -1.911 2.425 -2.783) 4.157 14.869 ( -0.934 -7.395 -21.572) 22.823 18.285 ( 9.158 -5.888 -5.868) 12.368 19.013 ( -15.227 -16.876 -11.308) 25.388 19.483 ( 9.993 2.965 -2.552) 10.732 19.775 ( -0.729 10.220 -5.708) 11.729 20.864 ( 21.103 0.517 7.501) 22.402 22.522 ( -24.340 -20.765 0.497) 31.998 23.548 ( -16.014 17.104 -2.813) 23.599 23.742 ( 7.107 1.661 -3.453) 8.074 ======================= Grid point 335 (161/361) ======================= q-point: ( 0.20 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -7.313 -0.000 4.794) 8.744 2.981 ( -3.815 -0.000 -11.056) 11.696 3.237 ( 0.692 0.000 5.322) 5.367 3.316 ( -3.763 -0.000 -5.769) 6.887 3.426 ( 0.681 0.000 8.127) 8.155 3.992 ( 13.596 0.000 -16.216) 21.162 4.323 ( 7.672 0.000 -3.407) 8.395 4.592 ( -3.129 -0.000 4.034) 5.105 5.312 ( -20.188 -0.000 1.414) 20.237 5.360 ( -12.484 -0.000 4.340) 13.217 5.909 ( -9.228 -0.000 -1.394) 9.333 6.046 ( -9.041 -0.000 0.157) 9.042 6.872 ( 0.572 0.000 3.319) 3.368 7.056 ( 1.574 0.000 -0.773) 1.754 7.670 ( -15.703 -0.000 35.002) 38.364 8.006 ( -10.434 -0.000 -9.127) 13.863 8.348 ( -12.110 -0.000 17.506) 21.287 9.395 ( -2.770 -0.000 5.854) 6.476 9.551 ( -3.784 -0.000 -4.379) 5.788 9.926 ( -10.177 -0.000 -14.153) 17.432 10.750 ( 18.274 0.000 17.006) 24.963 11.618 ( 16.406 0.000 -8.791) 18.613 12.139 ( 16.623 0.000 13.515) 21.424 12.183 ( 9.679 0.000 -6.004) 11.390 12.764 ( 1.049 0.000 5.796) 5.890 13.154 ( -10.556 -0.000 4.709) 11.558 13.372 ( -4.449 -0.000 -12.031) 12.827 14.218 ( 7.344 0.000 -5.623) 9.250 17.660 ( -8.951 -0.000 -16.938) 19.157 18.554 ( 3.419 0.000 7.888) 8.597 19.016 ( 6.383 0.000 -1.067) 6.472 19.343 ( -8.927 -0.000 1.992) 9.147 21.507 ( 2.145 0.000 -21.259) 21.367 22.402 ( -0.933 -0.000 12.929) 12.962 23.446 ( 10.187 0.000 3.743) 10.853 24.027 ( 4.226 0.000 1.165) 4.384 ======================= Grid point 336 (162/361) ======================= q-point: (-0.70 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -10.281 11.839 -1.206) 15.726 2.802 ( -9.941 -4.289 -8.867) 13.994 3.181 ( -5.045 -0.090 -0.821) 5.112 3.240 ( -5.052 -6.173 -0.601) 7.999 3.623 ( 2.959 2.954 12.041) 12.746 3.953 ( 8.311 0.677 -15.805) 17.870 4.427 ( 7.226 -3.882 -0.984) 8.262 4.615 ( -3.822 -6.858 2.889) 8.365 4.975 ( -21.330 2.819 -1.533) 21.571 5.282 ( -7.239 -3.627 2.299) 8.417 5.746 ( -11.497 0.475 -0.956) 11.547 5.960 ( -6.365 0.288 3.786) 7.412 6.853 ( -4.793 6.393 0.737) 8.024 7.029 ( -4.532 -4.565 -1.504) 6.606 7.803 ( -19.306 -0.096 25.447) 31.942 7.810 ( -1.970 2.046 -5.589) 6.269 8.422 ( -8.965 -4.384 14.181) 17.340 9.401 ( -5.955 2.480 5.865) 8.719 9.438 ( -6.824 -3.787 -3.414) 8.518 9.651 ( -3.693 0.730 -11.001) 11.628 11.168 ( 13.924 0.519 12.514) 18.728 11.677 ( 15.050 18.187 -5.151) 24.162 12.192 ( 7.966 5.801 -5.962) 11.517 12.487 ( 5.766 -12.684 4.181) 14.547 12.977 ( -3.493 -1.650 14.561) 15.065 13.055 ( 1.398 4.533 -0.253) 4.751 13.168 ( -3.974 -5.540 -5.742) 8.914 14.284 ( 12.041 -4.812 -9.582) 16.123 17.347 ( -8.135 0.044 -13.379) 15.658 18.767 ( 6.006 -0.985 13.931) 15.202 19.094 ( 9.196 0.168 -4.429) 10.208 19.341 ( 3.431 -2.077 3.080) 5.057 21.233 ( 0.341 4.774 -21.247) 21.780 22.476 ( -9.375 -5.678 6.392) 12.689 23.666 ( 10.261 1.478 7.422) 12.749 24.099 ( 2.768 -0.030 3.192) 4.225 ======================= Grid point 337 (163/361) ======================= q-point: (-0.60 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -11.054 12.521 3.777) 17.124 2.523 ( -14.260 5.195 -6.815) 16.637 3.178 ( -1.613 -7.560 2.826) 8.231 3.240 ( -6.426 -9.334 2.060) 11.518 3.704 ( 0.565 7.962 5.068) 9.456 3.824 ( -3.063 -2.033 -10.074) 10.724 4.476 ( -15.236 2.133 -1.843) 15.495 4.583 ( 3.303 -3.566 2.762) 5.590 4.843 ( -2.145 -14.522 -1.019) 14.715 5.287 ( -1.197 -3.375 3.152) 4.771 5.559 ( -13.866 -0.275 1.229) 13.923 5.951 ( -3.061 1.143 6.383) 7.170 6.663 ( -11.570 6.293 -1.366) 13.242 6.962 ( -10.695 -6.383 -0.952) 12.491 7.727 ( 1.815 0.691 -6.613) 6.892 7.792 ( -17.009 -0.096 14.895) 22.609 8.527 ( -5.596 -3.411 13.518) 15.023 9.291 ( -6.601 -0.092 -3.912) 7.673 9.386 ( -8.898 -7.735 3.643) 12.340 9.571 ( 2.006 1.703 0.108) 2.633 11.390 ( 8.638 14.188 2.043) 16.736 11.632 ( 10.646 19.541 3.192) 22.481 12.164 ( 5.929 3.909 -7.432) 10.280 12.661 ( 1.488 -9.722 -0.593) 9.853 12.818 ( -12.597 4.873 -0.260) 13.509 12.993 ( -7.269 -7.327 -0.414) 10.329 13.502 ( 17.493 -2.128 12.282) 21.480 14.406 ( 14.383 -11.304 -12.877) 22.371 17.115 ( -5.686 0.189 -6.576) 8.696 19.004 ( 8.047 -0.323 1.018) 8.118 19.209 ( 9.655 0.426 5.672) 11.206 19.542 ( 15.448 -1.890 3.799) 16.020 20.915 ( -2.488 5.140 -19.365) 20.190 22.414 ( -14.952 -9.221 1.376) 17.621 23.835 ( 6.023 6.647 5.321) 10.429 24.214 ( 1.631 -4.365 7.472) 8.806 ======================= Grid point 338 (164/361) ======================= q-point: (-0.50 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -14.713 13.947 -0.396) 20.276 2.190 ( -12.244 14.895 10.476) 21.943 3.251 ( -6.181 -10.526 1.517) 12.300 3.330 ( -0.013 -9.684 4.508) 10.681 3.601 ( -7.828 5.922 0.757) 9.845 3.747 ( -3.014 1.077 4.269) 5.335 4.242 ( -8.448 -2.695 -4.037) 9.743 4.737 ( 3.998 -4.933 5.101) 8.145 4.927 ( -2.914 -15.419 -3.632) 16.107 5.365 ( -2.421 -2.989 5.029) 6.331 5.459 ( -6.687 -4.250 7.827) 11.137 6.006 ( -0.099 1.414 7.311) 7.448 6.405 ( -17.034 1.939 0.004) 17.144 6.822 ( -13.649 -6.836 -2.542) 15.476 7.627 ( -7.693 1.151 -1.315) 7.889 7.769 ( -0.652 -2.257 0.694) 2.449 8.653 ( -2.560 -0.190 12.670) 12.928 9.160 ( -6.793 -0.456 -2.515) 7.258 9.401 ( -10.388 -15.737 2.877) 19.074 9.641 ( 4.155 2.346 6.345) 7.939 11.210 ( 4.850 32.872 -4.781) 33.570 11.728 ( 6.971 9.130 7.457) 13.695 12.097 ( 3.640 4.474 -8.032) 9.888 12.608 ( -11.014 5.515 1.625) 12.425 12.712 ( -1.307 -3.137 1.538) 3.730 13.014 ( -0.778 -12.516 -3.695) 13.073 13.820 ( 10.964 2.447 4.140) 11.972 14.569 ( 13.879 -16.457 -13.894) 25.622 17.062 ( -0.138 -2.496 4.840) 5.448 19.039 ( 10.280 0.095 -13.265) 16.782 19.417 ( 5.327 3.241 7.887) 10.054 19.894 ( 24.336 0.982 5.457) 24.960 20.600 ( -5.770 3.048 -15.036) 16.391 22.285 ( -18.090 -12.548 1.002) 22.039 23.862 ( 3.349 9.146 1.521) 9.858 24.371 ( -2.683 -7.001 7.878) 10.875 ======================= Grid point 339 (165/361) ======================= q-point: (-0.40 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -9.399 19.702 11.017) 24.451 2.038 ( -10.924 16.301 13.865) 24.027 3.266 ( -6.867 -7.211 3.079) 10.423 3.339 ( -9.660 5.359 6.745) 12.943 3.573 ( 0.030 -6.901 1.815) 7.135 3.803 ( -2.429 -2.653 9.778) 10.418 4.167 ( 0.974 -3.127 -6.243) 7.050 4.886 ( 2.848 -10.094 -2.121) 10.701 5.011 ( -3.421 -10.522 9.015) 14.272 5.413 ( -4.679 -4.599 8.069) 10.400 5.603 ( -0.532 -6.935 10.263) 12.397 6.086 ( 0.198 1.491 6.443) 6.617 6.199 ( -16.901 -4.759 6.143) 18.602 6.661 ( -9.560 -5.586 -4.832) 12.081 7.491 ( -7.866 0.483 -0.760) 7.918 7.805 ( 1.663 -4.847 -2.741) 5.811 8.744 ( -1.441 8.339 10.155) 13.219 9.070 ( -6.162 -7.152 0.438) 9.451 9.425 ( -12.356 -18.603 1.180) 22.364 9.775 ( 4.735 3.798 7.390) 9.563 10.892 ( 2.969 34.546 -3.794) 34.881 11.812 ( 5.211 10.036 6.171) 12.883 11.990 ( 2.629 5.645 -8.393) 10.451 12.440 ( -9.915 6.359 3.082) 12.176 12.758 ( 0.876 -1.083 3.118) 3.415 13.063 ( 1.617 -10.690 -6.624) 12.679 13.861 ( 2.983 7.635 -4.618) 9.408 14.721 ( 9.751 -17.966 -15.397) 25.592 17.303 ( 7.235 -10.238 15.685) 20.079 18.988 ( 9.816 -3.417 -19.862) 22.417 19.469 ( 3.369 8.662 0.629) 9.315 20.266 ( 13.971 -0.805 -8.377) 16.310 20.372 ( 3.950 6.370 4.921) 8.967 22.183 ( -18.494 -15.699 4.338) 24.643 23.830 ( 2.938 7.972 -0.654) 8.522 24.404 ( -10.178 -4.735 1.784) 11.367 ======================= Grid point 340 (166/361) ======================= q-point: (-0.30 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -1.437 15.123 17.537) 23.202 1.944 ( -7.094 16.605 17.222) 24.953 3.258 ( -5.334 -6.626 -1.428) 8.625 3.300 ( -6.421 9.419 19.277) 22.395 3.659 ( 3.344 -5.956 -2.194) 7.174 3.942 ( -2.450 -4.111 10.942) 11.943 4.148 ( 3.151 -4.535 -6.126) 8.247 4.945 ( 4.396 -4.158 -6.116) 8.603 5.226 ( -3.327 -9.310 15.223) 18.152 5.483 ( -3.751 -0.748 6.891) 7.881 5.825 ( -5.090 -17.160 15.268) 23.526 6.108 ( -6.687 -0.137 6.973) 9.662 6.207 ( -6.771 -5.543 11.977) 14.833 6.574 ( -0.642 -4.543 -3.388) 5.703 7.370 ( -7.546 -0.338 -2.550) 7.972 7.795 ( -4.237 -4.373 -3.062) 6.816 8.728 ( -2.773 11.364 10.594) 15.782 9.157 ( -1.294 -12.608 4.189) 13.349 9.438 ( -8.918 -17.614 0.908) 19.763 9.831 ( 2.504 10.896 2.719) 11.506 10.613 ( 2.652 28.400 -0.224) 28.524 11.802 ( 3.149 19.465 1.205) 19.755 11.907 ( 3.899 -1.724 -7.002) 8.198 12.259 ( -10.031 5.722 -1.384) 11.631 12.814 ( 1.900 2.285 2.955) 4.191 13.113 ( 4.152 -5.800 -2.593) 7.590 13.714 ( -2.410 8.920 -4.865) 10.442 14.765 ( 4.504 -16.346 -19.076) 25.522 17.764 ( 10.020 -15.682 14.585) 23.644 18.883 ( 1.249 -11.002 -20.393) 23.205 19.444 ( 11.243 9.672 -4.038) 15.371 20.096 ( -9.293 -2.431 -7.581) 12.237 20.678 ( 21.789 11.749 7.831) 25.965 22.160 ( -16.208 -17.536 6.813) 24.832 23.795 ( 3.465 5.445 -2.121) 6.794 24.195 ( -17.264 2.676 -4.934) 18.154 ======================= Grid point 341 (167/361) ======================= q-point: (-0.20 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -4.877 9.355 19.698) 22.346 2.052 ( 7.733 10.901 18.619) 22.919 3.224 ( -2.027 -5.777 -4.675) 7.703 3.439 ( 0.414 8.803 21.160) 22.922 3.706 ( 1.203 -5.993 -4.863) 7.811 4.029 ( -3.546 0.621 7.510) 8.328 4.212 ( 5.318 -9.096 -4.542) 11.474 4.940 ( 5.540 3.094 -7.959) 10.178 5.364 ( -2.106 -3.201 2.871) 4.788 5.550 ( -7.549 1.571 18.524) 20.065 6.037 ( -15.873 -9.399 20.014) 27.219 6.218 ( 4.109 -10.936 6.426) 13.333 6.355 ( -5.089 -7.313 17.504) 19.641 6.628 ( 2.688 -5.265 0.398) 5.925 7.174 ( -8.919 1.981 -8.949) 12.789 7.746 ( -8.728 -4.898 6.249) 11.800 8.765 ( -1.567 6.614 12.523) 14.249 9.271 ( -4.074 -13.195 0.453) 13.817 9.566 ( 0.947 -13.215 3.671) 13.748 9.745 ( 2.600 16.731 1.971) 17.046 10.438 ( 1.645 18.781 0.900) 18.874 11.633 ( 2.415 22.847 -2.260) 23.085 11.860 ( 3.420 0.831 -12.696) 13.175 12.060 ( -8.520 -2.145 -2.942) 9.265 12.851 ( 1.726 6.669 5.815) 9.015 13.227 ( 6.578 -1.992 1.640) 7.066 13.551 ( -3.343 5.969 -2.753) 7.374 14.677 ( -0.052 -13.196 -20.866) 24.689 18.137 ( 9.557 -9.850 3.063) 14.062 18.716 ( -10.731 -14.728 -13.515) 22.687 19.533 ( 13.710 2.390 -6.214) 15.241 19.888 ( -7.088 1.507 -6.518) 9.746 20.940 ( 14.460 8.665 9.424) 19.313 22.193 ( -10.365 -14.596 3.970) 18.337 23.782 ( 4.362 2.920 -3.010) 6.051 23.802 ( -17.029 9.919 -5.739) 20.526 ======================= Grid point 342 (168/361) ======================= q-point: (-0.10 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -0.807 3.040 22.572) 22.791 2.347 ( 12.716 7.361 16.858) 22.362 3.198 ( 1.152 -5.165 -6.183) 8.139 3.606 ( 1.667 2.198 7.851) 8.321 3.679 ( -1.337 -3.873 -5.574) 6.918 4.057 ( -0.112 0.667 2.383) 2.477 4.291 ( 3.310 -4.407 -2.972) 6.262 4.821 ( 1.287 9.577 -8.933) 13.159 5.398 ( -2.489 -1.208 6.478) 7.044 5.618 ( -9.995 3.395 15.316) 18.601 6.150 ( -6.183 0.721 13.298) 14.683 6.446 ( -6.493 -12.484 16.872) 21.970 6.590 ( -3.368 -4.741 13.548) 14.743 6.723 ( 1.822 -5.581 1.822) 6.147 6.936 ( -7.159 -1.052 -3.899) 8.220 7.815 ( -9.442 -9.893 14.206) 19.719 8.846 ( -1.791 3.851 10.496) 11.322 9.325 ( -3.864 -10.865 0.972) 11.573 9.613 ( -2.106 8.298 0.768) 8.596 9.759 ( 5.019 6.578 5.453) 9.909 10.384 ( 5.614 1.090 -0.099) 5.720 11.424 ( 2.014 22.037 -1.913) 22.212 11.710 ( 2.554 0.726 -13.826) 14.079 11.996 ( 0.214 -6.522 -5.733) 8.687 12.878 ( 0.027 10.522 8.195) 13.337 13.307 ( -1.430 -2.831 -1.264) 3.414 13.492 ( 5.933 4.742 0.395) 7.605 14.505 ( -3.218 -9.319 -18.332) 20.815 18.317 ( 11.111 -3.930 -6.851) 13.632 18.537 ( -13.377 -12.872 -6.917) 19.811 19.416 ( -9.789 7.722 -8.471) 15.073 19.802 ( 1.163 0.413 -2.681) 2.951 21.212 ( 9.616 -3.877 11.128) 15.210 22.198 ( -1.636 -3.317 -3.211) 4.898 23.460 ( -9.222 9.718 -2.426) 13.615 23.805 ( 5.620 0.361 -2.720) 6.254 ======================= Grid point 346 (169/361) ======================= q-point: ( 0.30 -0.70 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( -11.347 -0.000 1.296) 11.421 2.547 ( -6.148 -0.000 -7.216) 9.480 3.112 ( -6.678 -0.000 0.940) 6.743 3.124 ( -7.449 -0.000 5.191) 9.079 3.776 ( -1.833 -0.000 7.801) 8.014 3.799 ( -0.031 -0.000 -15.571) 15.572 4.518 ( 3.134 0.000 2.311) 3.894 4.604 ( 1.903 0.000 0.293) 1.926 4.634 ( -19.090 -0.000 -1.725) 19.167 5.256 ( -1.015 -0.000 4.554) 4.666 5.558 ( -14.581 -0.000 0.723) 14.599 5.962 ( -2.779 -0.000 6.176) 6.772 6.772 ( -15.443 -0.000 0.544) 15.453 6.848 ( -7.660 -0.000 -5.205) 9.261 7.737 ( 1.119 0.000 -6.326) 6.425 7.793 ( -18.799 -0.000 17.213) 25.489 8.496 ( -5.101 -0.000 15.218) 16.051 9.221 ( -7.038 -0.000 -8.032) 10.680 9.383 ( -9.725 -0.000 6.519) 11.708 9.586 ( 2.838 0.000 -1.377) 3.154 11.480 ( 9.913 0.000 9.074) 13.439 11.905 ( 14.049 0.000 -6.618) 15.529 12.276 ( 7.220 0.000 -5.449) 9.045 12.440 ( -1.583 -0.000 0.687) 1.726 12.896 ( -7.047 -0.000 -8.657) 11.163 12.905 ( -15.927 -0.000 8.317) 17.967 13.479 ( 19.328 0.000 13.438) 23.540 14.296 ( 14.078 0.000 -14.061) 19.897 17.117 ( -5.749 -0.000 -7.069) 9.112 19.001 ( 9.894 0.000 0.608) 9.913 19.214 ( 9.614 0.000 5.211) 10.936 19.525 ( 16.156 0.000 5.384) 17.030 20.964 ( -3.271 -0.000 -21.008) 21.261 22.327 ( -14.702 -0.000 1.913) 14.826 23.907 ( 5.349 0.000 10.327) 11.630 24.164 ( 1.472 0.000 2.848) 3.206 ======================= Grid point 348 (170/361) ======================= q-point: (-0.60 0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -6.632 7.876 -0.212) 10.298 2.426 ( -7.661 8.820 8.119) 14.227 3.072 ( -6.894 -6.949 2.869) 10.200 3.142 ( -5.438 -7.782 6.956) 11.770 3.629 ( -0.216 -0.729 -10.908) 10.935 3.775 ( -6.780 0.344 3.791) 7.776 4.299 ( -11.206 6.495 0.573) 12.965 4.646 ( 1.585 -6.347 -3.235) 7.298 4.708 ( 2.228 -5.564 6.491) 8.835 5.327 ( -5.927 -1.141 7.868) 9.916 5.406 ( -7.579 -1.432 6.420) 10.035 6.024 ( 0.062 0.520 6.751) 6.771 6.461 ( -23.372 3.235 0.648) 23.604 6.693 ( -9.243 -5.673 -6.275) 12.530 7.668 ( -2.347 2.395 -3.224) 4.652 7.731 ( -7.908 -1.790 4.073) 9.074 8.632 ( -3.692 -0.953 15.232) 15.702 9.080 ( -3.996 -5.681 -6.542) 9.542 9.295 ( -13.013 0.728 6.589) 14.604 9.667 ( 4.688 0.617 5.447) 7.213 11.640 ( 6.868 10.025 1.874) 12.295 11.927 ( 7.876 11.306 -3.006) 14.103 12.202 ( 2.236 10.859 -4.143) 11.836 12.539 ( 1.081 -17.046 -2.263) 17.229 12.714 ( -7.028 5.565 0.303) 8.969 12.826 ( -8.379 -6.527 2.801) 10.984 13.847 ( 11.764 0.722 8.075) 14.287 14.339 ( 14.588 -7.282 -16.730) 23.361 17.032 ( -0.847 -0.773 1.643) 2.004 19.030 ( 11.044 -0.521 -17.335) 20.561 19.468 ( 6.561 1.710 12.893) 14.567 19.907 ( 26.306 0.379 6.178) 27.025 20.638 ( -6.597 1.097 -18.009) 19.210 22.131 ( -17.179 -4.236 1.172) 17.732 24.021 ( -0.019 7.287 6.534) 9.788 24.241 ( -0.972 -6.453 4.084) 7.699 ======================= Grid point 349 (171/361) ======================= q-point: (-0.50 0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -7.163 15.038 7.576) 18.299 2.355 ( -4.349 17.618 12.438) 22.001 3.093 ( -6.845 -9.591 3.322) 12.242 3.252 ( -4.997 -12.686 4.755) 14.440 3.537 ( 0.593 1.278 -2.523) 2.890 3.743 ( -2.390 -3.978 1.051) 4.759 4.214 ( -1.190 6.385 6.465) 9.164 4.667 ( 0.967 -11.203 -5.238) 12.405 4.880 ( -1.022 -4.065 11.873) 12.591 5.317 ( -12.605 -5.366 13.620) 19.318 5.525 ( 1.324 -2.035 8.528) 8.867 6.107 ( -0.294 0.857 5.642) 5.714 6.148 ( -20.595 -1.338 5.333) 21.317 6.547 ( -6.059 -5.877 -6.953) 10.937 7.540 ( -5.426 4.277 -2.290) 7.279 7.718 ( 0.413 -4.647 -3.482) 5.821 8.779 ( -3.145 -2.307 13.561) 14.110 9.010 ( -4.726 -2.783 -2.449) 6.007 9.195 ( -13.350 -4.711 5.977) 15.367 9.823 ( 5.178 1.618 8.855) 10.385 11.497 ( 4.510 28.915 -6.045) 29.883 11.919 ( 3.145 3.565 -1.353) 4.943 12.104 ( -0.175 6.486 -0.833) 6.542 12.581 ( -8.624 8.304 5.597) 13.216 12.668 ( 3.702 -11.691 -3.736) 12.819 12.869 ( 0.789 -8.021 1.425) 8.185 13.966 ( 2.767 4.320 -1.406) 5.320 14.419 ( 11.445 -13.870 -16.824) 24.626 17.169 ( 5.580 -4.626 11.127) 13.280 18.918 ( 7.448 -3.250 -24.009) 25.346 19.621 ( 4.278 6.725 4.935) 9.374 20.240 ( 3.215 -1.395 -13.967) 14.400 20.468 ( 18.132 3.609 6.998) 19.767 21.976 ( -16.208 -7.208 4.372) 18.269 23.981 ( -1.484 8.291 1.883) 8.630 24.297 ( -6.953 -6.744 2.134) 9.919 ======================= Grid point 350 (172/361) ======================= q-point: (-0.40 0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -4.583 14.304 11.182) 18.725 2.288 ( -2.298 20.589 13.018) 24.467 3.116 ( -5.371 -8.311 0.656) 9.917 3.346 ( -2.657 -7.196 6.553) 10.089 3.579 ( 3.508 -1.377 2.134) 4.331 3.807 ( 1.878 -7.511 0.974) 7.803 4.212 ( -2.190 8.755 7.239) 11.569 4.804 ( 8.650 -10.844 -2.624) 14.118 5.064 ( -4.384 -7.239 16.432) 18.483 5.410 ( -9.798 -7.869 16.432) 20.687 5.625 ( -6.829 -3.626 10.004) 12.644 6.047 ( -8.746 -4.444 9.407) 13.592 6.179 ( -1.142 0.114 6.229) 6.333 6.482 ( 0.153 -5.161 -4.215) 6.666 7.393 ( -5.647 2.700 -3.971) 7.412 7.711 ( -0.222 -4.219 -5.207) 6.705 8.898 ( -3.364 4.347 9.590) 11.054 8.954 ( -8.151 -7.027 6.211) 12.425 9.181 ( -5.908 -10.010 4.065) 12.314 9.973 ( 4.093 5.007 8.190) 10.436 11.177 ( 2.228 31.755 -6.429) 32.476 11.891 ( 3.729 -0.253 -8.007) 8.837 12.041 ( -3.953 6.648 3.650) 8.552 12.422 ( -6.356 11.452 -0.946) 13.132 12.771 ( 2.356 -8.560 -1.205) 8.959 13.020 ( 7.080 -2.658 5.573) 9.394 13.854 ( -4.079 6.244 -5.192) 9.088 14.461 ( 5.984 -15.938 -18.774) 25.343 17.527 ( 9.840 -9.947 15.726) 21.049 18.715 ( 0.970 -7.231 -24.695) 25.750 19.614 ( 6.449 8.652 -4.997) 11.892 20.021 ( -9.223 -5.001 -9.413) 14.095 20.888 ( 26.068 10.172 8.861) 29.352 21.918 ( -12.155 -9.447 6.468) 16.698 23.900 ( -1.082 5.937 -0.778) 6.084 24.194 ( -12.748 -2.221 -2.887) 13.258 ======================= Grid point 351 (173/361) ======================= q-point: (-0.30 0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 0.716 11.908 11.855) 16.818 2.283 ( 1.745 14.511 15.020) 20.957 3.110 ( -2.575 -6.397 -2.911) 7.485 3.462 ( -0.419 -6.596 2.861) 7.202 3.667 ( 3.188 0.713 3.476) 4.770 3.932 ( 0.221 -9.519 1.721) 9.675 4.211 ( 1.547 8.105 7.772) 11.335 4.955 ( 10.125 -1.802 -5.223) 11.534 5.270 ( -3.492 -6.749 12.086) 14.277 5.574 ( -7.138 -0.224 20.592) 21.795 5.744 ( -9.924 -16.070 19.166) 26.909 6.123 ( -3.600 -3.166 8.399) 9.671 6.269 ( -1.764 -2.840 11.035) 11.531 6.530 ( 3.582 -5.016 -0.694) 6.203 7.204 ( -8.409 1.450 -8.392) 11.968 7.671 ( -2.695 -2.595 -1.438) 4.008 8.885 ( -6.276 5.552 10.972) 13.806 9.024 ( -7.220 -12.633 4.688) 15.287 9.331 ( 3.657 -10.734 5.910) 12.787 10.032 ( 3.210 12.453 5.933) 14.163 10.857 ( 0.107 26.248 -4.491) 26.629 11.838 ( 4.824 0.246 -11.434) 12.412 11.934 ( -8.574 4.108 1.707) 9.659 12.169 ( -2.295 15.601 -7.880) 17.628 12.870 ( 1.514 -5.158 2.631) 5.986 13.229 ( 9.027 2.787 7.693) 12.183 13.658 ( -6.767 5.163 -3.355) 9.149 14.409 ( 1.474 -15.449 -20.503) 25.714 17.948 ( 9.928 -10.129 11.586) 18.314 18.492 ( -5.218 -9.762 -17.569) 20.765 19.565 ( 6.955 1.068 -10.766) 12.862 19.863 ( -5.843 -2.859 -4.434) 7.873 21.160 ( 11.631 14.245 8.630) 20.315 21.980 ( -0.137 -9.420 4.175) 10.305 23.834 ( 0.228 2.876 -2.101) 3.569 23.926 ( -14.536 3.865 -6.019) 16.201 ======================= Grid point 352 (174/361) ======================= q-point: (-0.20 0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 0.572 8.979 14.652) 17.194 2.478 ( 11.632 6.775 14.794) 20.002 3.100 ( 0.333 -5.072 -4.229) 6.612 3.486 ( -2.254 -8.321 -6.370) 10.719 3.733 ( 0.985 2.058 3.175) 3.910 3.987 ( -1.975 -7.662 -2.458) 8.286 4.319 ( 7.693 6.961 7.942) 13.066 4.971 ( 5.239 6.429 -6.699) 10.661 5.375 ( -3.054 -1.753 8.039) 8.776 5.676 ( -10.199 2.999 17.407) 20.397 6.132 ( -3.291 -16.753 29.196) 33.822 6.172 ( -5.583 -2.327 5.373) 8.090 6.474 ( -0.447 -6.981 16.017) 17.478 6.632 ( 2.837 -4.565 1.763) 5.656 6.934 ( -10.575 0.638 -9.075) 13.949 7.670 ( -3.561 -4.993 3.169) 6.903 8.905 ( -5.469 1.346 10.377) 11.807 9.105 ( -4.540 -11.700 4.155) 13.220 9.546 ( 1.591 -8.512 4.112) 9.586 10.024 ( 5.303 16.431 6.406) 18.416 10.592 ( -0.685 18.589 -3.250) 18.883 11.641 ( -11.686 1.381 -9.574) 15.170 11.836 ( 5.277 7.451 -7.673) 11.927 11.968 ( 5.740 9.544 -5.600) 12.465 12.967 ( 0.616 -2.237 4.829) 5.357 13.310 ( -4.555 4.084 1.216) 6.237 13.583 ( 5.902 5.065 3.016) 8.341 14.293 ( -1.156 -13.470 -18.304) 22.755 18.236 ( 10.487 -4.750 -2.373) 11.755 18.328 ( -9.241 -9.730 -3.572) 13.886 19.466 ( -4.261 -2.129 -11.086) 12.066 19.807 ( 1.271 0.166 -2.762) 3.045 21.217 ( -2.475 4.910 7.822) 9.561 22.161 ( 12.916 -0.999 0.416) 12.961 23.615 ( -10.603 6.914 -5.044) 13.626 23.809 ( 2.189 0.036 -2.473) 3.302 ======================= Grid point 353 (175/361) ======================= q-point: (-0.10 0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -0.518 0.366 15.896) 15.909 2.794 ( 14.296 5.694 13.206) 20.278 3.109 ( 2.758 -4.167 -4.301) 6.593 3.426 ( -1.787 -8.215 -9.382) 12.598 3.710 ( -3.536 3.018 -0.832) 4.723 3.979 ( 1.814 -6.231 -8.472) 10.671 4.443 ( 8.179 8.652 3.695) 12.467 4.850 ( 1.349 11.091 -4.521) 12.053 5.427 ( -7.348 -0.025 9.513) 12.021 5.684 ( -11.429 3.143 13.532) 17.989 6.145 ( -7.380 -1.473 2.421) 7.906 6.398 ( -8.330 -2.419 0.032) 8.674 6.718 ( -0.007 -3.003 4.391) 5.320 6.760 ( -1.773 -7.040 15.105) 16.759 6.869 ( -2.622 -8.451 22.698) 24.362 7.740 ( -2.341 -10.204 3.419) 11.014 8.943 ( -7.845 1.515 10.654) 13.317 9.227 ( -1.989 -11.025 6.343) 12.874 9.529 ( -7.960 3.383 -2.795) 9.089 10.082 ( 8.524 9.921 6.591) 14.647 10.490 ( 5.984 7.610 0.540) 9.697 11.311 ( -13.941 -2.598 -12.335) 18.795 11.786 ( 12.506 11.571 -3.312) 17.357 11.987 ( 10.525 1.429 -5.255) 11.851 13.033 ( -0.935 3.890 5.844) 7.083 13.174 ( -9.371 -2.498 -1.214) 9.774 13.665 ( 7.192 6.683 -1.374) 9.913 14.203 ( 0.530 -8.478 -9.871) 13.022 18.177 ( -6.647 -4.991 -6.567) 10.593 18.412 ( 7.692 -3.378 -3.807) 9.223 19.234 ( -7.213 5.013 -7.763) 11.723 19.742 ( -8.697 2.474 0.874) 9.084 21.270 ( -1.446 -10.741 1.508) 10.942 22.339 ( 16.028 9.343 0.861) 18.572 23.406 ( -3.285 5.525 -2.979) 7.084 23.836 ( 3.597 -2.177 -1.476) 4.456 ======================= Grid point 358 (176/361) ======================= q-point: ( 0.40 -0.60 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( -5.697 -0.000 5.070) 7.627 2.569 ( 0.473 0.000 14.025) 14.033 2.984 ( -6.925 -0.000 4.565) 8.295 3.078 ( -8.569 -0.000 4.579) 9.716 3.551 ( 6.512 0.000 -9.063) 11.160 3.698 ( -4.881 -0.000 2.783) 5.619 4.292 ( -4.327 -0.000 9.747) 10.664 4.554 ( 1.602 0.000 -5.942) 6.154 4.846 ( 1.067 0.000 11.022) 11.074 5.258 ( -16.310 -0.000 15.200) 22.295 5.509 ( 2.084 0.000 8.725) 8.971 6.116 ( 0.955 0.000 5.776) 5.854 6.137 ( -24.543 -0.000 4.796) 25.007 6.486 ( -3.649 -0.000 -8.033) 8.823 7.612 ( -7.992 -0.000 -1.528) 8.137 7.647 ( 3.418 0.000 -5.270) 6.282 8.751 ( -5.949 -0.000 14.452) 15.628 8.960 ( -1.170 -0.000 -2.514) 2.773 9.183 ( -14.597 -0.000 7.205) 16.279 9.837 ( 5.306 0.000 9.244) 10.659 11.785 ( 5.447 0.000 -1.839) 5.749 11.958 ( 3.314 0.000 -8.962) 9.555 12.302 ( -7.449 -0.000 -1.834) 7.671 12.376 ( 6.762 0.000 -1.779) 6.992 12.690 ( -13.041 -0.000 8.625) 15.635 12.788 ( 7.913 0.000 1.631) 8.079 14.015 ( 1.285 0.000 2.576) 2.879 14.274 ( 13.615 0.000 -20.098) 24.276 17.128 ( 5.258 0.000 9.377) 10.751 18.887 ( 7.080 0.000 -25.262) 26.235 19.686 ( 3.789 0.000 7.410) 8.323 20.226 ( 0.842 0.000 -16.138) 16.160 20.500 ( 22.261 0.000 6.565) 23.209 21.912 ( -15.454 -0.000 4.648) 16.138 24.096 ( -6.806 -0.000 5.925) 9.024 24.196 ( -2.161 -0.000 -1.052) 2.404 ======================= Grid point 360 (177/361) ======================= q-point: (-0.50 0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -5.281 7.687 6.729) 11.500 2.667 ( 0.722 19.465 11.160) 22.449 2.980 ( -4.701 -5.232 3.313) 7.775 3.099 ( -4.570 -16.591 4.514) 17.791 3.564 ( 8.750 -0.876 -6.692) 11.051 3.733 ( -0.370 -1.064 5.103) 5.226 4.373 ( -1.320 7.169 11.110) 13.288 4.606 ( 5.775 -8.676 2.649) 10.753 4.986 ( -2.717 -1.523 12.654) 13.032 5.278 ( -13.637 -4.709 18.099) 23.146 5.610 ( -4.971 0.252 10.318) 11.455 5.989 ( -8.942 -1.677 9.528) 13.175 6.176 ( -1.037 -0.312 3.663) 3.819 6.409 ( 2.043 -2.301 -3.806) 4.894 7.442 ( -6.809 1.841 -6.366) 9.501 7.656 ( 5.136 -1.542 -5.696) 7.823 8.806 ( -12.075 -4.043 11.676) 17.277 8.970 ( 0.809 -0.407 3.084) 3.214 9.095 ( -9.829 -0.169 8.469) 12.976 10.029 ( 4.583 1.404 10.563) 11.600 11.684 ( 3.873 19.900 -10.826) 22.983 11.885 ( 3.289 -0.954 -9.621) 10.212 12.117 ( -9.540 3.665 1.320) 10.305 12.519 ( 3.989 -11.212 -5.151) 12.968 12.618 ( -9.530 3.786 10.931) 14.988 13.001 ( 12.428 -0.427 7.123) 14.331 13.945 ( -7.084 3.617 -2.901) 8.467 14.226 ( 9.174 -8.358 -20.601) 24.051 17.407 ( 9.865 -3.282 14.661) 17.973 18.625 ( 1.378 -2.535 -26.476) 26.632 19.749 ( 2.729 5.444 -1.833) 6.359 19.931 ( -9.150 -4.205 -13.901) 17.165 21.022 ( 31.852 4.008 8.677) 33.255 21.804 ( -12.349 -3.135 6.674) 14.383 24.003 ( -6.842 4.706 1.148) 8.383 24.133 ( -7.373 -3.650 -3.199) 8.827 ======================= Grid point 361 (178/361) ======================= q-point: (-0.40 0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 2.370 8.620 7.620) 11.747 2.586 ( -1.967 18.417 8.805) 20.508 3.003 ( -1.588 -4.928 -0.291) 5.186 3.272 ( -1.010 -13.546 2.858) 13.881 3.645 ( 9.675 -2.829 -4.783) 11.158 3.796 ( -4.065 -4.404 5.458) 8.106 4.404 ( 1.909 11.593 9.273) 14.968 4.862 ( 11.252 -8.410 0.778) 14.069 5.147 ( -4.645 -5.593 16.722) 18.234 5.427 ( -8.402 -9.661 22.321) 25.733 5.660 ( -7.398 1.598 14.205) 16.095 6.076 ( -2.211 -1.838 10.715) 11.094 6.225 ( -0.597 -2.169 5.829) 6.248 6.458 ( 3.932 -2.702 -0.267) 4.778 7.225 ( -8.644 0.738 -9.374) 12.773 7.661 ( 4.596 1.159 -5.028) 6.910 8.792 ( -16.254 -9.275 9.955) 21.197 9.005 ( -3.867 4.832 9.000) 10.922 9.179 ( 3.121 -6.239 7.028) 9.903 10.189 ( 3.619 5.149 9.925) 11.752 11.343 ( 0.476 24.922 -12.731) 27.989 11.826 ( 5.459 -1.406 -12.019) 13.275 11.961 ( -12.479 0.521 0.279) 12.493 12.446 ( -0.597 11.086 -4.029) 11.810 12.713 ( -1.483 -9.476 6.048) 11.339 13.291 ( 13.308 2.864 10.089) 16.943 13.730 ( -11.586 2.752 -3.243) 12.342 14.151 ( 3.879 -11.622 -20.946) 24.267 17.794 ( 10.602 -6.132 15.175) 19.501 18.359 ( -1.597 -4.826 -19.590) 20.239 19.574 ( -4.043 0.047 -13.881) 14.458 19.818 ( 0.149 -1.708 -3.329) 3.744 21.420 ( 13.943 13.437 7.447) 20.746 21.824 ( 3.696 -8.339 4.339) 10.101 23.883 ( -4.976 2.301 -1.151) 5.602 23.960 ( -10.399 0.361 -6.027) 12.025 ======================= Grid point 362 (179/361) ======================= q-point: (-0.30 0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 4.193 11.992 6.983) 14.497 2.592 ( 5.168 5.913 11.951) 14.300 3.027 ( 1.505 -2.725 -1.164) 3.324 3.344 ( -1.321 -7.170 -3.209) 7.965 3.720 ( -1.603 -2.724 1.150) 3.363 3.832 ( 1.511 -8.242 -4.818) 9.666 4.482 ( 7.957 9.573 7.232) 14.397 5.033 ( 9.111 -0.286 -3.621) 9.809 5.324 ( -4.833 -3.693 13.824) 15.103 5.718 ( -7.616 -1.261 13.164) 15.260 5.789 ( -5.141 -13.238 28.598) 31.929 6.186 ( -2.803 1.281 13.207) 13.561 6.358 ( 0.232 -5.389 10.855) 12.121 6.554 ( 4.418 -3.846 1.530) 6.054 6.949 ( -10.893 0.847 -10.637) 15.248 7.646 ( 2.271 1.902 -2.581) 3.929 8.789 ( -14.586 -11.813 9.758) 21.154 9.028 ( -3.392 2.001 8.576) 9.437 9.400 ( 5.001 -6.849 6.967) 10.975 10.274 ( 2.464 10.299 7.885) 13.203 10.973 ( -0.991 21.102 -10.961) 23.799 11.654 ( -12.067 1.304 -9.658) 15.510 11.857 ( 5.234 -0.310 -6.311) 8.204 12.270 ( 3.305 16.632 -5.271) 17.757 12.843 ( -1.708 -9.377 4.232) 10.429 13.403 ( -9.269 4.606 1.119) 10.411 13.666 ( 8.410 3.546 8.166) 12.247 14.039 ( 0.859 -13.382 -19.189) 23.410 18.143 ( 8.353 -5.306 8.987) 13.367 18.197 ( -2.715 -4.493 -8.543) 10.027 19.381 ( -4.054 -5.598 -11.658) 13.552 19.809 ( 3.345 0.052 -3.812) 5.072 21.360 ( -9.103 9.205 2.152) 13.124 22.150 ( 22.654 -0.434 3.897) 22.990 23.710 ( -9.909 3.722 -5.855) 12.097 23.804 ( -1.891 -0.580 -2.501) 3.189 ======================= Grid point 363 (180/361) ======================= q-point: (-0.20 0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -4.720 4.841 8.874) 11.156 2.871 ( 14.150 2.621 10.687) 17.925 3.061 ( 3.177 -1.018 -0.895) 3.454 3.317 ( 0.517 -3.056 -6.406) 7.117 3.695 ( -10.444 -5.516 4.544) 12.655 3.864 ( 9.754 -4.890 -13.684) 17.501 4.599 ( 9.169 7.439 2.841) 12.144 5.025 ( 2.961 7.606 -4.890) 9.515 5.431 ( -5.775 -0.296 12.347) 13.634 5.729 ( -11.799 1.312 10.724) 15.998 6.049 ( -9.302 -8.948 9.665) 16.125 6.343 ( -4.132 -2.059 9.657) 10.704 6.595 ( -5.132 -8.264 9.188) 13.381 6.680 ( 4.127 -2.842 5.925) 7.760 6.763 ( -1.040 -3.106 13.360) 13.755 7.640 ( 2.477 -0.870 -2.372) 3.538 8.837 ( -12.776 -12.195 10.977) 20.795 9.098 ( -1.413 -2.506 7.821) 8.334 9.547 ( -1.495 -1.020 3.313) 3.776 10.276 ( 1.423 10.684 4.343) 11.620 10.701 ( 2.728 12.837 -7.077) 14.910 11.305 ( -15.965 3.758 -9.181) 18.796 11.895 ( 11.454 1.026 -6.688) 13.303 12.149 ( 8.487 14.237 -3.543) 16.949 12.930 ( -4.669 -10.021 2.347) 11.301 13.221 ( -10.074 3.018 1.450) 10.616 13.770 ( 1.352 2.780 -5.031) 5.904 14.047 ( 9.203 -6.698 -1.896) 11.539 18.120 ( -3.866 -1.274 -2.435) 4.744 18.340 ( 5.989 -4.339 -0.177) 7.398 19.255 ( -2.098 -2.157 -7.703) 8.270 19.788 ( -2.561 1.989 -0.955) 3.380 21.169 ( -7.732 -0.495 -3.849) 8.651 22.491 ( 21.451 7.258 4.482) 23.085 23.496 ( -4.652 4.176 -5.137) 8.092 23.785 ( -0.061 -3.318 -1.083) 3.491 ======================= Grid point 364 (181/361) ======================= q-point: (-0.10 -0.60 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -9.968 -5.365 8.905) 14.403 3.029 ( -2.767 -2.415 2.925) 4.695 3.190 ( 8.051 1.374 1.437) 8.293 3.307 ( 9.327 -0.507 -3.990) 10.157 3.636 ( -6.738 2.152 1.775) 7.293 3.861 ( 8.029 -5.273 -13.038) 16.194 4.648 ( 8.865 8.696 -4.124) 13.085 4.923 ( -0.130 7.448 -1.269) 7.557 5.434 ( -11.049 5.823 9.232) 15.531 5.643 ( -13.732 -0.639 6.035) 15.013 6.031 ( -10.725 -2.002 3.953) 11.604 6.199 ( -10.994 0.094 -5.254) 12.185 6.700 ( -3.265 -9.593 7.117) 12.383 6.815 ( 1.025 -2.654 6.146) 6.772 7.223 ( 1.063 -5.224 35.547) 35.945 7.683 ( 6.415 -5.013 -5.585) 9.873 8.895 ( -14.996 -7.597 12.729) 21.086 9.220 ( -1.438 -5.692 7.501) 9.525 9.436 ( -6.595 6.866 -2.191) 9.769 10.254 ( 0.619 6.156 -0.336) 6.196 10.668 ( 6.599 -3.998 -3.787) 8.594 10.960 ( -9.409 6.582 -4.635) 12.382 11.991 ( 13.372 1.453 -5.349) 14.475 12.177 ( 12.642 8.984 1.355) 15.569 12.948 ( -9.196 -10.721 1.857) 14.246 13.126 ( -2.781 5.073 2.995) 6.515 13.630 ( -4.678 -0.942 -9.408) 10.549 14.248 ( 12.809 3.069 2.942) 13.497 17.984 ( -7.295 0.823 -9.067) 11.667 18.437 ( 6.400 -2.791 -1.105) 7.069 19.174 ( 1.906 5.294 -2.460) 6.141 19.646 ( -13.257 5.900 2.923) 14.802 21.097 ( 1.059 -12.044 -9.839) 15.588 22.723 ( 13.578 13.267 7.170) 20.292 23.389 ( 2.617 1.934 -4.738) 5.748 23.838 ( 1.677 -4.830 1.618) 5.363 ======================= Grid point 370 (182/361) ======================= q-point: (-0.50 0.50 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 0.754 -0.000 6.199) 6.244 2.866 ( -6.281 -0.000 1.227) 6.400 2.953 ( -1.066 0.000 1.603) 1.925 3.039 ( 5.159 -0.000 8.332) 9.800 3.611 ( 12.306 -0.000 -7.824) 14.583 3.760 ( -8.050 -0.000 7.029) 10.687 4.570 ( 6.641 0.000 3.371) 7.447 4.717 ( 5.188 -0.000 11.168) 12.314 5.094 ( -4.826 -0.000 15.821) 16.540 5.339 ( -6.179 -0.000 18.932) 19.915 5.680 ( -7.551 -0.000 15.658) 17.383 6.059 ( -0.927 -0.000 11.300) 11.338 6.201 ( 0.152 -0.000 3.865) 3.868 6.434 ( 3.826 -0.000 0.261) 3.835 7.231 ( -8.850 -0.000 -9.844) 13.238 7.680 ( 8.601 -0.000 -6.860) 11.002 8.699 ( -19.666 -0.000 12.879) 23.508 9.085 ( -7.033 -0.000 8.203) 10.806 9.090 ( 5.677 0.000 7.352) 9.289 10.234 ( 3.847 -0.000 11.162) 11.807 11.636 ( 1.223 -0.000 -21.229) 21.264 11.785 ( 3.496 -0.000 -10.626) 11.187 11.968 ( -11.157 -0.000 1.092) 11.211 12.498 ( 3.398 0.000 -2.009) 3.947 12.650 ( -7.589 -0.000 11.178) 13.510 13.317 ( 15.999 0.000 9.680) 18.700 13.757 ( -15.790 -0.000 -2.806) 16.037 14.034 ( 6.581 -0.000 -21.612) 22.592 17.737 ( 10.978 -0.000 15.784) 19.226 18.315 ( -0.432 -0.000 -19.998) 20.003 19.573 ( -9.435 -0.000 -14.753) 17.512 19.803 ( 3.675 -0.000 -3.287) 4.930 21.607 ( 32.057 -0.000 7.770) 32.985 21.687 ( -12.109 0.000 3.721) 12.668 23.908 ( -9.226 -0.000 0.089) 9.226 23.958 ( -6.564 0.000 -6.907) 9.529 ======================= Grid point 372 (183/361) ======================= q-point: (-0.40 0.50 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 10.999 4.188 7.320) 13.860 2.711 ( -8.324 6.348 2.436) 10.748 2.994 ( 3.733 -1.149 0.080) 3.907 3.231 ( 4.532 -4.451 3.629) 7.316 3.667 ( -12.992 -2.140 3.609) 13.652 3.718 ( 12.050 -3.459 -8.536) 15.166 4.638 ( 8.230 6.378 -0.870) 10.448 4.966 ( 7.365 -5.078 5.522) 10.513 5.262 ( -4.740 -2.369 18.493) 19.237 5.557 ( -0.208 -5.330 15.948) 16.817 5.782 ( -10.101 1.473 22.335) 24.557 6.210 ( 0.145 1.045 14.305) 14.344 6.286 ( 0.427 -2.288 6.817) 7.203 6.501 ( 3.971 -1.632 1.326) 4.494 6.960 ( -10.398 0.315 -10.874) 15.048 7.701 ( 7.967 2.631 -7.156) 11.027 8.610 ( -20.951 -6.063 15.290) 26.636 9.074 ( -5.415 1.991 6.752) 8.881 9.306 ( 6.548 -3.130 9.106) 11.644 10.396 ( 1.815 3.213 9.465) 10.159 11.271 ( -4.448 9.092 -21.604) 23.858 11.705 ( 0.023 3.576 -8.259) 9.001 11.849 ( -2.141 -0.649 -3.169) 3.879 12.480 ( 3.218 4.492 -6.034) 8.182 12.702 ( -5.470 -3.620 9.096) 11.215 13.465 ( -16.227 2.253 -1.116) 16.421 13.681 ( 14.537 -2.077 8.870) 17.156 13.867 ( 1.369 -3.957 -17.024) 17.532 18.069 ( 7.238 -2.243 12.715) 14.802 18.148 ( 1.540 -1.248 -8.749) 8.971 19.302 ( -5.249 -2.432 -12.148) 13.455 19.809 ( 4.360 -0.037 -4.747) 6.445 21.496 ( -12.177 4.502 -2.420) 13.206 22.142 ( 28.561 -0.378 7.151) 29.445 23.759 ( -7.897 1.799 -6.183) 10.190 23.789 ( -5.853 -1.039 -2.421) 6.418 ======================= Grid point 373 (184/361) ======================= q-point: (-0.30 0.50 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( -11.851 5.379 3.385) 13.447 2.895 ( 14.309 0.318 9.211) 17.020 3.059 ( 6.052 0.283 -1.104) 6.158 3.322 ( 3.367 3.068 -0.759) 4.618 3.546 ( -13.008 -8.776 4.628) 16.360 3.805 ( 13.939 -2.180 -13.494) 19.522 4.697 ( 8.102 3.277 -1.493) 8.866 5.101 ( 4.829 0.289 -2.421) 5.410 5.415 ( -5.559 -0.758 15.414) 16.403 5.691 ( -6.920 -4.905 4.672) 9.683 5.940 ( -11.232 -1.212 23.416) 25.999 6.327 ( -4.619 -0.537 8.525) 9.711 6.471 ( -1.983 -4.451 10.004) 11.127 6.629 ( 6.572 -2.675 2.681) 7.585 6.739 ( -2.656 -0.156 5.271) 5.905 7.682 ( 5.630 4.196 -5.728) 9.061 8.603 ( -19.194 -11.342 16.273) 27.602 9.079 ( -3.538 -0.276 6.057) 7.020 9.519 ( 3.794 -1.477 7.816) 8.813 10.440 ( -1.367 6.602 4.298) 7.995 10.866 ( -6.384 4.564 -19.741) 21.244 11.483 ( -7.187 14.704 -2.646) 16.579 11.878 ( 10.187 -3.144 -6.070) 12.268 12.389 ( 5.880 9.934 -6.336) 13.169 12.751 ( -7.530 -7.952 3.981) 11.653 13.245 ( -12.397 0.067 2.413) 12.630 13.705 ( -2.115 -7.434 -15.095) 16.959 14.024 ( 14.583 2.285 10.830) 18.307 18.125 ( -0.119 1.541 0.631) 1.670 18.260 ( 2.859 -4.175 1.956) 5.424 19.195 ( 1.978 -3.306 -5.374) 6.612 19.807 ( 2.077 0.287 -3.297) 3.907 21.211 ( -10.898 3.546 -9.485) 14.876 22.598 ( 25.110 4.277 7.330) 26.506 23.560 ( -5.235 2.989 -6.118) 8.589 23.719 ( -3.868 -3.633 -0.890) 5.381 ======================= Grid point 374 (185/361) ======================= q-point: (-0.20 -0.50 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -16.469 -2.009 6.858) 17.953 2.976 ( -9.477 -3.345 0.337) 10.056 3.246 ( 5.883 4.851 2.804) 8.125 3.310 ( 13.624 -0.043 -1.976) 13.766 3.622 ( 0.815 -2.582 8.881) 9.285 3.795 ( 10.103 -1.674 -17.989) 20.700 4.747 ( 6.778 2.517 -4.064) 8.294 5.047 ( -0.733 5.342 -4.672) 7.135 5.510 ( -5.650 0.272 11.219) 12.565 5.611 ( -13.831 -1.697 2.945) 14.242 5.999 ( -11.721 0.169 12.030) 16.796 6.215 ( -11.518 1.490 -6.086) 13.112 6.503 ( -5.451 -10.051 8.946) 14.518 6.789 ( 6.309 -1.616 2.096) 6.841 7.136 ( 7.040 -3.971 31.663) 32.678 7.662 ( 7.038 2.253 -6.309) 9.717 8.664 ( -18.299 -14.195 16.633) 28.513 9.138 ( -1.190 -3.754 5.795) 7.007 9.574 ( -4.327 6.460 3.569) 8.555 10.376 ( -1.743 6.314 -2.448) 6.992 10.548 ( -5.217 -5.165 -14.517) 16.268 11.227 ( -4.637 17.992 1.031) 18.609 11.995 ( 12.492 -1.032 -6.193) 13.981 12.353 ( 8.954 9.229 -0.725) 12.879 12.744 ( -9.204 -10.792 2.185) 14.351 13.178 ( -3.780 1.099 4.373) 5.884 13.555 ( -5.495 -6.525 -10.459) 13.497 14.321 ( 14.691 4.253 7.838) 17.186 18.013 ( -7.313 2.195 -8.637) 11.528 18.379 ( 6.317 -3.334 3.512) 7.960 19.242 ( 6.314 2.342 0.313) 6.742 19.743 ( -7.731 3.971 0.742) 8.723 20.950 ( -2.327 -4.149 -14.983) 15.720 22.943 ( 18.062 10.398 8.307) 22.436 23.420 ( -0.069 1.734 -6.373) 6.605 23.735 ( -1.524 -6.283 2.927) 7.097 ======================= Grid point 375 (186/361) ======================= q-point: (-0.10 -0.50 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -18.747 -7.660 9.180) 22.235 2.843 ( -16.363 -10.596 -0.414) 19.499 3.254 ( 3.787 4.311 -0.115) 5.740 3.473 ( 6.520 4.423 -0.712) 7.911 3.649 ( 3.014 2.910 -9.615) 10.488 3.828 ( 7.848 -2.201 1.997) 8.392 4.745 ( 5.453 2.209 -5.888) 8.324 4.900 ( -4.561 5.090 -5.102) 8.529 5.426 ( -13.125 6.293 3.104) 14.883 5.520 ( -7.218 0.961 5.842) 9.335 5.923 ( -11.763 2.516 3.898) 12.645 6.005 ( -9.673 -1.100 -0.044) 9.735 6.647 ( -3.767 -9.591 6.435) 12.148 6.879 ( 1.129 -1.111 3.901) 4.210 7.614 ( -0.050 -2.066 28.654) 28.729 7.689 ( 11.029 -0.578 -8.828) 14.139 8.727 ( -18.626 -12.323 14.216) 26.474 9.245 ( -1.043 -4.236 6.328) 7.686 9.414 ( -5.592 10.066 -0.125) 11.516 10.143 ( -10.874 -1.109 -11.179) 15.635 10.537 ( 5.156 -7.003 -2.461) 9.038 11.100 ( 2.587 11.690 4.072) 12.646 12.068 ( 10.054 -0.899 -8.874) 13.440 12.463 ( 6.370 3.693 8.873) 11.530 12.781 ( -1.748 -9.084 1.903) 9.445 13.183 ( 0.250 3.941 3.168) 5.063 13.410 ( -7.425 -4.322 -5.528) 10.217 14.549 ( 15.090 7.692 3.092) 17.217 17.702 ( -9.547 1.138 -17.479) 19.949 18.581 ( 8.958 -0.091 8.409) 12.287 19.288 ( 3.946 8.705 0.644) 9.579 19.552 ( -11.627 5.757 2.597) 13.231 20.865 ( 5.614 -12.395 -16.336) 21.261 23.076 ( 0.839 15.652 8.842) 17.996 23.400 ( 10.610 -2.269 -7.887) 13.414 23.872 ( 2.325 -5.345 9.131) 10.833 ======================= Grid point 382 (187/361) ======================= q-point: (-0.40 -0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -16.985 -0.000 1.666) 17.067 2.895 ( 15.313 0.000 8.744) 17.633 3.062 ( 9.291 0.000 -2.555) 9.636 3.385 ( 9.794 0.000 4.223) 10.666 3.432 ( -18.573 -0.000 1.746) 18.655 3.784 ( 14.336 0.000 -12.072) 18.742 4.725 ( 7.077 0.000 -4.279) 8.270 5.085 ( 4.066 0.000 1.216) 4.244 5.412 ( -4.267 -0.000 15.399) 15.979 5.637 ( -3.906 -0.000 4.564) 6.007 5.942 ( -11.792 -0.000 25.673) 28.252 6.318 ( -5.041 -0.000 5.788) 7.675 6.437 ( -1.805 -0.000 10.836) 10.985 6.599 ( 7.961 0.000 2.413) 8.319 6.739 ( -3.272 -0.000 2.819) 4.319 7.734 ( 8.574 0.000 -8.778) 12.270 8.487 ( -23.683 -0.000 20.655) 31.425 9.078 ( -4.570 -0.000 4.886) 6.690 9.504 ( 5.500 0.000 9.527) 11.001 10.502 ( -1.782 -0.000 4.740) 5.064 10.900 ( -10.307 -0.000 -23.367) 25.539 11.729 ( -5.874 -0.000 -3.192) 6.685 11.766 ( 12.170 0.000 -4.702) 13.047 12.467 ( 5.757 0.000 -8.498) 10.265 12.689 ( -9.285 -0.000 6.513) 11.342 13.243 ( -13.546 -0.000 2.928) 13.859 13.620 ( -0.183 -0.000 -15.838) 15.839 14.052 ( 13.578 0.000 12.175) 18.237 18.155 ( 5.102 0.000 2.158) 5.539 18.207 ( -2.158 -0.000 2.278) 3.138 19.161 ( 3.638 0.000 -4.485) 5.775 19.808 ( 3.284 0.000 -4.153) 5.294 21.251 ( -11.345 -0.000 -11.825) 16.388 22.638 ( 26.528 0.000 8.482) 27.851 23.597 ( -4.610 -0.000 -6.884) 8.285 23.675 ( -6.398 -0.000 -0.292) 6.405 ======================= Grid point 383 (188/361) ======================= q-point: (-0.30 -0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -20.796 -0.051 6.437) 21.770 2.917 ( -16.580 -2.438 -2.076) 16.886 3.297 ( 5.297 -0.081 -1.220) 5.436 3.340 ( 16.996 3.165 7.014) 18.657 3.589 ( 11.291 -0.783 3.339) 11.801 3.780 ( 7.406 -0.319 -14.617) 16.389 4.768 ( 5.825 0.407 -3.509) 6.812 5.081 ( -1.983 -0.884 -4.608) 5.094 5.488 ( -6.758 -0.270 8.978) 11.240 5.586 ( -8.771 -1.402 2.781) 9.307 6.048 ( -10.315 3.412 17.243) 20.380 6.248 ( -11.842 2.302 -5.804) 13.387 6.349 ( -6.895 -6.584 6.875) 11.754 6.757 ( 9.400 -1.305 0.598) 9.509 7.087 ( 10.002 -1.349 28.079) 29.837 7.725 ( 7.384 3.057 -7.927) 11.256 8.455 ( -23.898 -7.008 22.771) 33.745 9.087 ( -2.707 -1.537 4.374) 5.369 9.652 ( 0.143 2.109 7.319) 7.619 10.445 ( -10.446 0.845 -18.876) 21.590 10.510 ( -1.040 0.480 -2.418) 2.676 11.530 ( -6.475 12.511 -1.644) 14.183 11.943 ( 12.990 -4.101 -4.398) 14.314 12.468 ( 9.079 2.010 -5.189) 10.649 12.606 ( -12.053 -2.732 5.307) 13.450 13.185 ( -3.990 0.073 6.090) 7.281 13.440 ( -4.445 -4.465 -10.917) 12.605 14.380 ( 14.067 1.794 9.926) 17.310 18.050 ( -8.479 1.373 -10.789) 13.790 18.329 ( 7.239 -1.707 8.267) 11.120 19.268 ( 8.954 0.633 3.974) 9.817 19.784 ( -2.675 0.833 -1.204) 3.049 20.921 ( -5.225 -0.110 -19.766) 20.445 23.082 ( 23.595 4.175 6.975) 24.956 23.464 ( -3.217 2.940 -3.152) 5.378 23.621 ( -4.983 -5.326 2.205) 7.619 ======================= Grid point 384 (189/361) ======================= q-point: (-0.20 -0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -22.273 -2.378 11.870) 25.350 2.641 ( -23.585 -10.341 -1.481) 25.795 3.348 ( 5.410 4.985 0.578) 7.379 3.582 ( 8.207 7.136 0.620) 10.893 3.634 ( 3.839 -2.591 -15.612) 16.285 3.819 ( 9.325 -0.515 6.690) 11.488 4.768 ( 1.980 1.842 -4.853) 5.556 4.955 ( -4.731 -0.838 -7.152) 8.616 5.451 ( -9.212 0.177 4.508) 10.258 5.543 ( -5.522 -0.546 5.341) 7.702 5.975 ( -11.953 1.025 -1.746) 12.123 6.040 ( -8.359 6.654 7.371) 12.980 6.463 ( -3.924 -9.554 8.949) 13.667 6.873 ( 6.226 -0.397 -1.543) 6.427 7.574 ( 6.604 -2.029 24.505) 25.461 7.713 ( 8.879 2.526 -7.184) 11.697 8.486 ( -23.330 -11.481 21.509) 33.745 9.146 ( -0.372 -4.935 4.067) 6.406 9.623 ( -6.113 9.811 3.931) 12.210 10.054 ( -10.923 -5.243 -18.165) 21.835 10.539 ( 6.294 3.071 0.642) 7.033 11.320 ( -5.560 11.005 0.672) 12.348 12.042 ( 9.530 -1.907 -9.311) 13.459 12.518 ( -7.148 2.304 11.425) 13.672 12.645 ( 9.739 -5.154 -0.138) 11.020 13.232 ( 1.018 1.588 4.823) 5.179 13.302 ( -7.135 -6.397 -5.592) 11.095 14.661 ( 15.037 4.250 6.034) 16.750 17.720 ( -9.820 0.713 -18.351) 20.825 18.578 ( 9.252 -0.119 10.920) 14.313 19.426 ( 7.651 5.807 4.509) 10.611 19.646 ( -12.910 4.092 0.822) 13.567 20.685 ( 5.742 -6.929 -21.735) 23.525 23.339 ( 11.148 9.027 2.414) 14.546 23.365 ( 0.132 2.572 -4.575) 5.250 23.756 ( 2.763 -7.440 13.476) 15.639 ======================= Grid point 385 (190/361) ======================= q-point: (-0.10 -0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -23.925 -5.279 13.516) 27.981 2.440 ( -21.735 -15.172 0.850) 26.520 3.267 ( -9.458 -1.722 -7.746) 12.346 3.495 ( 2.474 3.886 1.995) 5.020 3.663 ( 4.714 6.763 -1.370) 8.357 3.963 ( 0.395 1.647 3.908) 4.259 4.666 ( -5.659 0.309 -3.192) 6.504 4.845 ( 1.918 1.985 -6.884) 7.417 5.363 ( -4.089 5.274 2.199) 7.026 5.549 ( -2.326 2.225 4.224) 5.311 5.825 ( -8.896 1.051 3.567) 9.642 5.931 ( -7.914 5.576 1.961) 9.878 6.580 ( -3.341 -7.161 3.287) 8.558 6.922 ( 0.390 -0.722 3.076) 3.184 7.731 ( 10.729 1.156 -7.825) 13.329 7.875 ( -3.540 -0.060 14.703) 15.123 8.519 ( -19.289 -11.968 14.371) 26.867 9.269 ( 2.235 -6.931 4.141) 8.378 9.451 ( -6.523 12.847 2.795) 14.677 9.826 ( -5.617 -8.647 -8.665) 13.469 10.598 ( 4.721 4.592 -0.237) 6.590 11.228 ( -0.491 2.997 2.689) 4.056 12.051 ( 7.420 -2.058 -10.578) 13.084 12.551 ( -12.019 -2.115 15.406) 19.654 12.828 ( 10.990 -1.174 -4.923) 12.099 13.252 ( -3.681 -6.893 3.846) 8.710 13.291 ( 3.472 3.569 3.116) 5.874 14.866 ( 16.064 8.370 -0.018) 18.114 17.344 ( -9.335 -0.010 -17.088) 19.472 18.856 ( 11.076 0.706 10.471) 15.258 19.309 ( -13.874 7.751 -0.986) 15.923 19.586 ( 6.569 4.929 2.171) 8.495 20.641 ( 8.371 -11.136 -17.400) 22.290 23.221 ( -8.164 13.427 3.957) 16.205 23.441 ( 10.926 -3.595 -7.151) 13.544 24.080 ( 6.853 -1.262 17.800) 19.115 ======================= Grid point 393 (191/361) ======================= q-point: (-0.30 -0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -22.971 -0.000 13.735) 26.764 2.531 ( -27.165 -0.000 -2.812) 27.310 3.402 ( 7.349 0.000 2.032) 7.625 3.593 ( -1.175 -0.000 -19.526) 19.561 3.693 ( 17.095 0.000 3.296) 17.410 3.788 ( 5.741 0.000 6.076) 8.359 4.807 ( 5.223 0.000 -3.665) 6.380 4.911 ( -9.928 -0.000 -6.542) 11.890 5.464 ( -6.727 -0.000 4.027) 7.840 5.524 ( -4.840 -0.000 5.554) 7.367 5.981 ( -12.436 -0.000 -3.776) 12.997 6.142 ( -7.269 -0.000 8.212) 10.966 6.346 ( -4.483 -0.000 10.159) 11.105 6.867 ( 9.082 0.000 -3.486) 9.728 7.552 ( 9.006 0.000 22.799) 24.513 7.745 ( 7.642 0.000 -7.820) 10.934 8.371 ( -26.531 -0.000 26.309) 37.363 9.098 ( -1.462 -0.000 3.567) 3.855 9.720 ( -4.117 -0.000 5.959) 7.243 10.003 ( -10.960 -0.000 -20.698) 23.421 10.573 ( 6.574 0.000 0.654) 6.606 11.435 ( -10.363 -0.000 -1.289) 10.442 12.017 ( 10.065 0.000 -8.908) 13.441 12.545 ( -10.203 -0.000 12.696) 16.288 12.597 ( 12.506 0.000 -0.002) 12.506 13.231 ( -6.586 -0.000 -6.414) 9.193 13.247 ( 1.322 0.000 5.382) 5.542 14.700 ( 14.817 0.000 7.057) 16.411 17.726 ( -9.917 -0.000 -18.752) 21.212 18.577 ( 9.270 0.000 11.960) 15.132 19.482 ( 8.636 0.000 7.370) 11.353 19.685 ( -12.132 -0.000 -0.077) 12.132 20.621 ( 5.245 0.000 -25.295) 25.833 23.337 ( 12.807 0.000 -13.299) 18.464 23.531 ( -6.674 -0.000 3.304) 7.447 23.630 ( 8.054 0.000 22.084) 23.507 ======================= Grid point 394 (192/361) ======================= q-point: (-0.20 -0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -24.869 3.003 15.866) 29.651 2.175 ( -26.334 -11.997 3.164) 29.110 3.243 ( -16.929 -0.701 -13.252) 21.511 3.533 ( 6.328 0.742 2.817) 6.966 3.822 ( 5.017 9.117 1.925) 10.583 3.952 ( 1.979 -3.698 3.621) 5.541 4.689 ( -6.565 1.918 -3.123) 7.518 4.830 ( 1.771 -2.309 -4.969) 5.758 5.434 ( -0.828 2.179 2.282) 3.262 5.567 ( -0.901 0.287 4.978) 5.067 5.812 ( -9.443 -0.855 3.524) 10.116 6.064 ( -6.812 5.829 -0.218) 8.968 6.449 ( -2.468 -5.491 7.671) 9.751 6.929 ( 6.867 0.545 -3.729) 7.833 7.761 ( 8.783 1.642 -5.961) 10.741 7.845 ( -0.990 -2.358 11.011) 11.305 8.353 ( -23.189 -4.845 22.645) 32.772 9.151 ( 1.553 -4.163 2.729) 5.214 9.642 ( -6.285 5.158 -4.833) 9.458 9.717 ( -5.250 -1.811 -3.859) 6.763 10.683 ( 8.666 2.881 0.225) 9.136 11.275 ( -9.089 1.485 1.115) 9.277 12.019 ( 7.969 -1.178 -10.743) 13.428 12.590 ( -8.915 5.317 17.075) 19.983 12.788 ( 10.622 -3.560 -1.112) 11.258 13.113 ( -6.990 -5.885 1.003) 9.192 13.335 ( 3.925 1.207 3.228) 5.223 14.969 ( 16.209 2.858 2.335) 16.623 17.344 ( -9.588 0.005 -18.098) 20.481 18.864 ( 10.776 0.206 10.687) 15.178 19.418 ( -18.151 3.344 -3.666) 18.817 19.664 ( 6.283 2.952 6.132) 9.262 20.483 ( 11.943 -5.175 -20.790) 24.529 23.341 ( 8.383 -0.006 -9.234) 12.471 23.460 ( -5.815 4.465 4.339) 8.520 24.055 ( 9.779 -1.072 21.147) 23.323 ======================= Grid point 395 (193/361) ======================= q-point: (-0.10 -0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -26.672 -5.258 12.054) 29.738 2.016 ( -25.447 -10.402 3.121) 27.667 2.900 ( -24.536 -8.836 5.513) 26.655 3.630 ( 3.090 2.531 2.315) 4.617 3.790 ( 0.549 9.353 3.073) 9.860 3.944 ( -7.703 1.124 1.265) 7.887 4.632 ( -0.408 4.105 1.712) 4.466 4.794 ( 0.941 -1.251 -2.923) 3.316 5.463 ( 6.401 5.580 0.911) 8.540 5.561 ( -3.308 1.596 1.323) 3.904 5.837 ( -4.427 -1.802 8.155) 9.453 5.845 ( -6.818 7.793 -4.772) 11.402 6.511 ( -1.677 -3.204 -0.535) 3.656 6.974 ( 0.071 2.055 4.370) 4.829 7.816 ( 10.857 2.129 -5.485) 12.349 7.871 ( -11.753 -2.579 6.605) 13.726 8.331 ( -14.285 -8.207 7.040) 17.916 9.293 ( 5.611 -7.464 2.075) 9.566 9.513 ( -4.103 6.117 3.400) 8.112 9.649 ( -1.719 -4.697 -1.532) 5.231 10.720 ( 2.832 10.247 -0.580) 10.647 11.213 ( -4.073 -4.964 2.015) 6.730 12.008 ( 6.833 -0.333 -9.445) 11.662 12.564 ( -12.246 5.970 10.629) 17.280 12.833 ( 0.302 0.601 -4.277) 4.329 13.239 ( 3.149 -13.276 4.489) 14.364 13.411 ( 4.709 1.525 1.699) 5.233 15.144 ( 16.164 7.573 -4.418) 18.388 17.091 ( -4.761 -0.426 -1.823) 5.116 19.031 ( -4.097 0.269 -9.075) 9.960 19.201 ( 2.023 0.279 10.835) 11.026 19.766 ( 6.109 4.873 2.530) 8.214 20.478 ( 8.629 -7.054 -14.799) 18.527 23.263 ( -6.920 12.808 2.381) 14.751 23.460 ( 6.962 -3.606 -4.200) 8.895 24.415 ( 6.987 1.975 16.308) 17.852 ======================= Grid point 404 (194/361) ======================= q-point: (-0.20 -0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -28.048 -0.000 5.327) 28.550 1.906 ( -25.784 -0.000 12.485) 28.648 2.819 ( -28.657 -0.000 5.519) 29.184 3.653 ( 4.321 0.000 1.718) 4.650 3.913 ( -0.762 -0.000 -0.045) 0.763 3.923 ( -7.926 -0.000 4.616) 9.172 4.689 ( 4.772 0.000 5.463) 7.254 4.761 ( -2.540 -0.000 -4.925) 5.542 5.518 ( 7.488 0.000 0.453) 7.502 5.575 ( -3.297 -0.000 1.292) 3.541 5.820 ( -4.281 -0.000 9.109) 10.065 5.923 ( -6.853 -0.000 -7.415) 10.097 6.471 ( -0.652 -0.000 2.207) 2.301 7.008 ( 7.691 0.000 -0.540) 7.710 7.819 ( -15.023 -0.000 9.363) 17.702 7.838 ( 10.787 0.000 -4.483) 11.682 8.261 ( -16.015 -0.000 7.626) 17.738 9.210 ( 6.026 0.000 1.987) 6.345 9.510 ( -0.318 -0.000 -5.181) 5.191 9.681 ( -6.754 -0.000 4.428) 8.076 10.822 ( 8.904 0.000 -1.165) 8.979 11.158 ( -10.870 -0.000 2.662) 11.192 12.006 ( 8.488 0.000 -8.776) 12.209 12.737 ( -7.113 -0.000 12.567) 14.441 12.793 ( 1.002 0.000 -6.389) 6.467 13.040 ( -4.090 -0.000 5.489) 6.845 13.431 ( 4.772 0.000 0.839) 4.845 15.214 ( 16.393 0.000 -3.233) 16.709 17.087 ( -4.621 -0.000 -1.181) 4.769 19.034 ( -4.550 -0.000 -11.578) 12.440 19.204 ( -0.115 -0.000 11.179) 11.179 19.818 ( 2.764 0.000 5.115) 5.814 20.406 ( 12.038 0.000 -16.376) 20.325 23.375 ( 11.657 0.000 -8.582) 14.476 23.440 ( -9.337 -0.000 7.347) 11.881 24.434 ( 8.704 0.000 16.364) 18.535 ======================= Grid point 405 (195/361) ======================= q-point: (-0.10 -0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -23.804 -6.652 13.067) 27.957 1.531 ( -33.769 -3.945 -2.222) 34.071 2.718 ( -26.360 -5.344 34.632) 43.850 3.647 ( -3.685 2.258 -1.726) 4.654 3.830 ( -8.976 0.170 1.204) 9.058 3.920 ( 2.633 3.595 2.868) 5.299 4.621 ( -4.884 3.929 -4.467) 7.697 4.926 ( 9.798 0.216 11.213) 14.892 5.464 ( -6.114 1.092 -13.370) 14.742 5.601 ( 5.770 3.160 -2.207) 6.939 5.705 ( -3.461 0.203 2.755) 4.429 5.965 ( -1.000 1.065 12.050) 12.138 6.480 ( 2.712 -0.031 -2.386) 3.612 7.073 ( 0.573 7.653 2.817) 8.175 7.741 ( -15.906 -3.294 11.454) 19.875 7.949 ( 6.881 3.632 -0.495) 7.796 8.091 ( -6.710 -9.352 -8.121) 14.087 9.368 ( 7.901 -3.100 3.352) 9.125 9.493 ( 0.654 -4.386 -2.515) 5.098 9.633 ( -4.519 1.864 5.120) 7.079 10.819 ( -3.900 14.459 -2.429) 15.171 11.075 ( -6.053 -11.716 -0.580) 13.200 12.026 ( 8.010 2.565 -6.373) 10.552 12.536 ( -12.535 12.745 -1.018) 17.906 12.761 ( -3.991 -5.500 -3.966) 7.868 13.127 ( -1.266 -13.800 -0.727) 13.877 13.487 ( 4.026 0.486 -0.949) 4.165 15.328 ( 13.873 4.578 -10.271) 17.858 17.307 ( 14.354 2.981 27.391) 31.067 18.756 ( -6.250 -3.902 -13.529) 15.405 19.440 ( 7.231 1.011 10.526) 12.810 19.874 ( 1.401 0.531 1.233) 1.940 20.380 ( 8.697 -2.209 -13.986) 16.617 23.329 ( -8.016 13.033 5.645) 16.309 23.482 ( 8.793 -4.184 -4.179) 10.596 24.626 ( 0.726 1.518 0.918) 1.917 ======================= Grid point 415 (196/361) ======================= q-point: (-0.10 -0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -19.404 -0.000 16.256) 25.313 1.371 ( -17.889 -0.000 20.307) 27.063 2.817 ( -28.879 -0.000 42.909) 51.722 3.555 ( -5.809 -0.000 -2.673) 6.394 3.744 ( -2.072 -0.000 0.170) 2.079 4.005 ( 3.696 0.000 0.026) 3.696 4.529 ( -3.657 -0.000 -2.220) 4.279 5.070 ( -2.785 -0.000 -10.603) 10.963 5.305 ( 0.992 0.000 9.686) 9.736 5.606 ( 0.945 0.000 -7.048) 7.111 5.797 ( 5.422 0.000 7.549) 9.295 6.136 ( 0.605 0.000 14.977) 14.989 6.532 ( 6.566 0.000 -0.650) 6.598 7.143 ( 1.185 0.000 -3.800) 3.981 7.647 ( -14.597 -0.000 -19.927) 24.701 7.675 ( -21.133 -0.000 22.091) 30.572 8.179 ( 11.168 0.000 6.324) 12.834 9.418 ( -0.656 -0.000 -5.832) 5.869 9.559 ( 10.416 0.000 6.600) 12.331 9.646 ( -2.169 -0.000 4.819) 5.285 10.632 ( -27.961 -0.000 -4.838) 28.376 10.951 ( 4.697 0.000 -4.241) 6.328 12.072 ( 5.452 0.000 -6.335) 8.358 12.432 ( -11.374 -0.000 1.028) 11.420 12.528 ( -4.795 -0.000 -6.634) 8.186 13.076 ( -0.335 -0.000 2.832) 2.852 13.514 ( 2.714 0.000 -2.527) 3.708 15.345 ( 9.234 0.000 -16.925) 19.280 18.144 ( 39.194 0.000 32.061) 50.637 18.503 ( -1.566 -0.000 -12.894) 12.989 19.649 ( 0.860 0.000 9.257) 9.297 19.828 ( -4.018 -0.000 -4.651) 6.146 20.351 ( 13.266 0.000 -12.214) 18.033 23.369 ( -10.091 -0.000 8.990) 13.514 23.542 ( 11.250 0.000 -5.723) 12.622 24.366 ( -22.706 -0.000 -19.192) 29.730 ======================= Grid point 416 (197/361) ======================= q-point: ( 0.00 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 5.800 0.000 16.171) 17.180 2.303 ( -1.230 -0.000 28.503) 28.530 3.215 ( -1.667 -0.000 -6.852) 7.052 3.649 ( -6.990 -0.000 12.819) 14.601 3.734 ( 2.458 0.000 -12.872) 13.104 3.908 ( 7.278 0.000 -3.726) 8.176 4.459 ( 2.957 0.000 -12.611) 12.953 4.478 ( -4.461 -0.000 -3.186) 5.482 5.500 ( 0.929 0.000 9.183) 9.230 5.825 ( -11.069 -0.000 16.293) 19.697 6.240 ( 0.576 0.000 1.842) 1.930 6.700 ( -7.007 -0.000 -6.089) 9.283 6.766 ( 5.916 0.000 0.018) 5.916 6.958 ( -9.005 -0.000 23.472) 25.140 7.010 ( 1.019 0.000 5.964) 6.051 8.463 ( -15.874 -0.000 32.098) 35.809 8.878 ( 0.346 0.000 7.853) 7.861 9.217 ( 5.234 0.000 0.852) 5.302 9.645 ( -0.338 -0.000 -5.776) 5.786 9.709 ( -13.889 -0.000 9.528) 16.843 10.644 ( 14.839 0.000 12.561) 19.441 10.663 ( 1.150 0.000 -12.775) 12.827 11.553 ( 1.910 0.000 -14.895) 15.017 12.155 ( -6.341 -0.000 -8.488) 10.595 12.755 ( -2.290 -0.000 10.388) 10.637 13.229 ( 11.054 0.000 -3.483) 11.590 13.408 ( -1.833 -0.000 -0.400) 1.876 14.526 ( 0.439 0.000 -18.315) 18.320 18.146 ( 10.728 0.000 -9.298) 14.197 18.892 ( -13.952 -0.000 -19.194) 23.729 19.442 ( -17.818 -0.000 2.678) 18.019 19.633 ( 16.692 0.000 0.779) 16.710 21.027 ( 28.153 0.000 9.961) 29.863 22.614 ( -33.360 -0.000 -11.182) 35.184 23.389 ( -9.034 -0.000 3.356) 9.638 23.637 ( 10.663 0.000 -4.830) 11.705 ======================= Grid point 417 (198/361) ======================= q-point: ( 0.10 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 7.280 1.068 13.418) 15.302 2.664 ( 2.581 -1.331 25.801) 25.964 3.123 ( 1.879 1.441 -7.202) 7.581 3.577 ( 0.142 4.621 -10.956) 11.892 3.623 ( -4.818 -1.446 -4.610) 6.823 3.929 ( 3.563 -3.069 -8.100) 9.366 4.319 ( -1.525 4.037 -2.868) 5.181 4.491 ( 2.744 -9.450 -3.084) 10.312 5.635 ( -1.223 1.934 11.425) 11.652 5.863 ( -13.066 -2.091 15.101) 20.079 6.222 ( -3.278 -0.374 -1.232) 3.522 6.517 ( -9.244 -0.226 -4.148) 10.134 6.826 ( 3.101 3.452 0.462) 4.664 6.917 ( -4.884 -1.250 1.768) 5.342 7.335 ( -0.931 4.218 33.997) 34.270 8.476 ( -14.361 22.670 16.091) 31.290 8.926 ( -10.917 -14.070 7.714) 19.407 9.345 ( 1.242 -8.100 -0.708) 8.225 9.573 ( 0.953 4.608 -0.823) 4.777 9.812 ( 2.621 -4.116 17.223) 17.900 10.458 ( 0.946 6.785 -9.961) 12.089 11.108 ( 15.764 -10.978 10.087) 21.697 11.416 ( 4.653 -0.116 -15.327) 16.018 11.948 ( 0.151 5.016 -10.872) 11.975 12.849 ( -3.287 -7.053 5.585) 9.578 13.339 ( 8.230 -0.026 -3.266) 8.854 13.389 ( -1.068 -1.006 1.243) 1.923 14.306 ( -1.112 3.029 -13.343) 13.728 18.204 ( 11.436 1.157 -6.505) 13.207 18.440 ( -12.917 2.017 -17.934) 22.193 19.254 ( -16.040 -2.137 3.920) 16.650 19.770 ( 2.572 0.206 -0.282) 2.596 21.544 ( 21.766 4.027 13.475) 25.914 22.065 ( -18.092 -0.588 -12.592) 22.051 23.326 ( -6.163 -3.210 0.850) 7.000 23.734 ( 9.681 -0.313 -3.198) 10.200 ======================= Grid point 418 (199/361) ======================= q-point: ( 0.20 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 2.692 5.130 11.585) 12.953 3.002 ( 7.808 -1.565 8.756) 11.835 3.078 ( 2.992 1.649 1.907) 3.912 3.396 ( -1.514 7.042 -6.574) 9.751 3.500 ( -1.852 -3.929 -8.733) 9.753 3.865 ( 0.324 -2.697 -10.112) 10.471 4.274 ( 0.955 -5.198 -3.981) 6.617 4.637 ( 5.289 -9.358 1.937) 10.922 5.658 ( -11.233 3.287 9.069) 14.806 5.843 ( -14.030 -2.993 7.599) 16.234 6.146 ( -6.149 -1.090 -0.700) 6.284 6.340 ( -10.925 0.046 -0.975) 10.968 6.805 ( 0.594 3.342 -0.010) 3.394 6.954 ( 2.542 -1.629 2.146) 3.704 7.701 ( -1.620 7.102 34.674) 35.431 8.131 ( -12.096 23.904 -1.317) 26.823 9.004 ( -18.032 -18.694 10.498) 28.015 9.380 ( -1.003 -0.879 2.363) 2.714 9.537 ( -0.676 5.818 1.212) 5.981 10.134 ( 6.010 1.251 6.727) 9.108 10.391 ( 4.079 -9.185 1.880) 10.224 11.180 ( 0.669 9.885 -11.703) 15.334 11.609 ( 18.952 -7.351 6.298) 21.281 11.861 ( 12.169 3.117 -9.257) 15.605 12.927 ( -3.233 -11.104 0.873) 11.598 13.325 ( -6.152 5.059 5.782) 9.842 13.454 ( 5.083 -6.232 -5.800) 9.916 14.133 ( 2.210 3.129 -9.249) 10.011 18.029 ( -10.939 0.664 -14.814) 18.427 18.331 ( 10.473 -0.604 -1.485) 10.595 19.122 ( -10.707 -1.555 2.952) 11.214 19.727 ( -9.095 -1.515 1.427) 9.330 21.477 ( -8.117 14.029 -10.883) 19.523 22.209 ( 18.257 -10.698 10.191) 23.486 23.295 ( -1.466 -2.335 -1.111) 2.973 23.834 ( 8.145 0.480 -0.940) 8.213 ======================= Grid point 419 (200/361) ======================= q-point: (-0.70 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -8.634 7.164 6.928) 13.186 3.044 ( 1.333 -0.773 -5.631) 5.838 3.260 ( 1.308 3.629 1.122) 4.017 3.279 ( 5.835 0.573 -0.044) 5.863 3.472 ( 0.969 -2.538 1.095) 2.929 3.778 ( 2.330 -2.156 -7.313) 7.972 4.343 ( 6.780 -9.151 -4.812) 12.364 4.817 ( 3.393 -8.462 2.073) 9.350 5.490 ( -19.901 0.100 3.708) 20.244 5.713 ( -14.102 -1.578 1.591) 14.279 6.045 ( -9.638 -1.138 0.397) 9.713 6.194 ( -10.772 0.567 2.877) 11.164 6.795 ( 1.317 2.580 -0.537) 2.946 7.035 ( 3.017 0.205 2.577) 3.973 7.759 ( -4.525 16.717 -7.170) 18.744 7.997 ( -3.217 7.684 27.833) 29.053 9.000 ( -19.340 -15.746 7.137) 25.941 9.410 ( -1.606 3.609 6.546) 7.645 9.479 ( -3.577 4.309 2.710) 6.221 10.070 ( -8.456 -6.442 -8.087) 13.357 10.739 ( 12.186 -4.849 11.347) 17.343 10.962 ( 5.545 18.317 -6.098) 20.086 11.821 ( 15.575 1.815 -11.297) 19.326 12.138 ( 20.387 -4.861 8.076) 22.460 12.984 ( -1.676 -9.557 -0.819) 9.737 13.241 ( -9.821 6.810 8.242) 14.518 13.442 ( -3.412 -4.860 -6.183) 8.573 14.129 ( 10.520 -5.080 -6.983) 13.610 17.698 ( -11.036 -1.091 -14.062) 17.909 18.513 ( 9.429 -0.302 7.289) 11.922 19.067 ( -2.318 -3.326 0.039) 4.054 19.611 ( -14.154 -4.551 3.095) 15.187 21.108 ( -1.128 13.498 -16.267) 21.168 22.671 ( 9.467 -11.797 12.525) 19.639 23.303 ( 5.979 1.604 -2.875) 6.826 23.940 ( 6.462 0.857 3.044) 7.195 ======================= Grid point 420 (201/361) ======================= q-point: (-0.60 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( -16.000 6.202 10.101) 19.913 2.903 ( -10.048 1.386 -7.845) 12.823 3.208 ( 3.159 -1.264 -1.677) 3.794 3.409 ( 3.578 -1.536 1.554) 4.193 3.513 ( 1.576 2.156 1.182) 2.920 3.839 ( 7.622 -4.953 -1.411) 9.199 4.486 ( 9.831 -8.262 -5.345) 13.909 4.860 ( -7.384 1.414 0.571) 7.540 5.287 ( -14.636 -9.818 1.284) 17.671 5.551 ( -11.865 -2.916 0.533) 12.230 5.905 ( -11.034 -0.992 -0.213) 11.080 6.095 ( -9.709 1.175 5.774) 11.357 6.752 ( -2.083 3.230 -1.912) 4.293 7.088 ( 0.992 2.471 3.338) 4.270 7.553 ( 5.937 8.067 -9.038) 13.491 8.139 ( -6.419 6.512 15.120) 17.670 8.937 ( -17.956 -10.284 6.202) 21.603 9.396 ( -7.133 3.789 7.069) 10.734 9.464 ( -1.863 2.116 5.790) 6.440 9.908 ( -9.673 -9.624 -6.141) 14.964 10.758 ( 7.367 22.674 -3.898) 24.157 11.114 ( 9.753 -1.608 10.057) 14.101 11.860 ( 14.523 2.018 -13.988) 20.264 12.526 ( 16.238 -2.737 3.301) 16.795 13.015 ( -4.469 2.017 2.813) 5.652 13.185 ( -5.139 -0.850 9.277) 10.639 13.345 ( -4.065 -3.385 -3.285) 6.226 14.306 ( 13.442 -13.153 -7.217) 20.144 17.387 ( -10.710 0.357 -10.407) 14.938 18.772 ( 9.393 0.050 11.140) 14.571 19.108 ( 2.499 -7.546 -2.998) 8.496 19.506 ( -10.812 -4.737 2.713) 12.112 20.802 ( 3.305 12.914 -15.686) 20.584 22.941 ( -6.081 -15.306 6.162) 17.585 23.376 ( 14.677 8.095 -2.443) 16.938 24.106 ( 6.396 -1.071 9.739) 11.701 ======================= Grid point 421 (202/361) ======================= q-point: (-0.50 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -20.148 6.919 13.453) 25.195 2.566 ( -19.102 5.374 -6.333) 20.830 3.297 ( 4.259 -0.158 -0.321) 4.274 3.455 ( 2.132 -4.106 0.524) 4.656 3.563 ( 1.253 -0.686 5.784) 5.958 3.951 ( -0.015 -6.245 -0.467) 6.263 4.600 ( 5.091 -3.573 -5.883) 8.561 4.684 ( -8.896 0.690 1.584) 9.062 5.275 ( -5.654 -10.431 2.225) 12.071 5.475 ( -4.185 -6.192 -2.050) 7.750 5.768 ( -9.935 -2.803 0.372) 10.330 6.043 ( -7.483 1.787 8.030) 11.121 6.631 ( -5.172 3.536 -3.676) 7.264 7.106 ( -0.894 2.667 3.230) 4.283 7.533 ( 11.308 1.455 -8.039) 13.951 8.076 ( -10.168 3.903 2.968) 11.288 8.825 ( -16.829 -0.590 7.262) 18.338 9.362 ( -7.512 -2.438 5.613) 9.689 9.512 ( -2.142 1.086 9.048) 9.361 9.845 ( -2.028 -3.474 -1.279) 4.221 10.612 ( 2.738 14.559 -2.861) 15.088 11.327 ( 6.091 3.455 6.650) 9.658 11.843 ( 12.251 3.288 -14.941) 19.600 12.698 ( 5.859 -2.978 -4.181) 7.790 12.901 ( -11.913 6.134 7.823) 15.516 13.221 ( -1.951 -4.276 -2.127) 5.159 13.440 ( 7.787 0.331 7.824) 11.043 14.538 ( 13.746 -16.059 -8.426) 22.756 17.174 ( -6.979 0.530 -0.421) 7.012 18.968 ( 5.035 0.337 -3.447) 6.111 19.182 ( 1.788 -5.641 4.258) 7.290 19.505 ( 3.171 -3.869 0.801) 5.066 20.581 ( 3.287 10.081 -10.300) 14.782 22.984 ( -10.665 -15.954 0.052) 19.190 23.463 ( 11.682 9.327 -1.901) 15.069 24.373 ( 6.161 -3.345 13.324) 15.056 ======================= Grid point 422 (203/361) ======================= q-point: (-0.40 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -24.274 8.219 -2.512) 25.750 2.207 ( -21.134 10.806 13.820) 27.466 3.299 ( -2.341 6.720 8.773) 11.297 3.555 ( 0.497 -8.858 -2.009) 9.096 3.713 ( 4.651 -2.812 6.691) 8.620 3.930 ( -10.756 -5.942 2.416) 12.523 4.497 ( -8.455 -6.310 -4.661) 11.534 4.785 ( 9.869 -3.124 3.725) 11.001 5.335 ( -2.811 -8.891 -2.258) 9.594 5.444 ( 0.601 -2.147 -2.842) 3.613 5.713 ( -4.904 -3.599 4.088) 7.329 6.064 ( -3.836 0.060 9.722) 10.452 6.477 ( -4.300 2.098 -4.271) 6.413 7.082 ( -5.259 -0.117 1.282) 5.414 7.617 ( 10.596 -3.628 -7.161) 13.293 7.924 ( -8.479 0.895 0.842) 8.567 8.666 ( -14.705 9.209 10.339) 20.197 9.359 ( -6.995 -5.841 4.410) 10.124 9.601 ( -1.027 0.704 8.205) 8.299 9.832 ( 4.268 8.487 -0.722) 9.527 10.518 ( -4.690 -2.549 -1.329) 5.501 11.382 ( 2.811 9.607 1.624) 10.141 11.800 ( 10.586 1.669 -12.720) 16.633 12.642 ( -7.195 1.525 -2.316) 7.711 12.838 ( -5.902 0.914 6.806) 9.055 13.201 ( 0.870 -4.526 -7.264) 8.603 13.574 ( 5.199 7.714 2.946) 9.758 14.762 ( 13.512 -15.194 -10.745) 22.997 17.234 ( 2.203 -4.148 14.729) 15.460 18.830 ( 0.400 4.192 -15.144) 15.719 19.356 ( 4.546 -2.980 5.212) 7.531 19.657 ( 12.526 -3.213 -0.939) 12.966 20.439 ( -0.212 7.362 -4.403) 8.581 22.983 ( -10.070 -18.553 -0.541) 21.116 23.496 ( 7.614 7.598 -1.810) 10.908 24.604 ( 1.269 -2.558 7.996) 8.490 ======================= Grid point 423 (204/361) ======================= q-point: (-0.30 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -20.719 11.239 8.958) 25.216 2.000 ( -17.019 13.330 15.809) 26.782 3.376 ( -2.687 2.161 14.942) 15.335 3.562 ( -5.540 -4.430 -0.625) 7.122 3.791 ( -11.475 -4.581 4.326) 13.091 3.891 ( 1.958 -0.920 -0.461) 2.212 4.411 ( -6.588 -11.170 -3.831) 13.522 4.998 ( 4.580 -3.125 -2.897) 6.256 5.284 ( 1.815 -2.232 2.960) 4.127 5.507 ( 3.061 -1.349 1.012) 3.495 5.783 ( 2.341 -0.804 5.194) 5.753 6.175 ( -1.494 -4.578 10.858) 11.879 6.421 ( 1.777 -1.397 0.394) 2.294 6.990 ( -10.504 -4.806 -1.279) 11.622 7.606 ( -0.588 -2.964 -12.689) 13.044 7.938 ( 0.865 -4.515 6.685) 8.113 8.530 ( -11.390 15.759 17.777) 26.346 9.397 ( -5.047 -8.665 5.545) 11.459 9.586 ( -0.526 9.872 -2.502) 10.198 9.847 ( 6.430 8.089 4.675) 11.342 10.450 ( -14.195 -13.641 -2.405) 19.833 11.284 ( 2.289 15.671 -3.718) 16.268 11.820 ( 9.351 -2.976 -7.906) 12.602 12.482 ( -9.979 2.294 0.164) 10.241 12.812 ( -4.621 3.817 2.422) 6.465 13.135 ( 0.493 -1.024 -7.162) 7.252 13.553 ( 1.439 8.379 0.244) 8.505 14.895 ( 11.075 -11.505 -16.274) 22.801 17.668 ( 12.640 -13.118 20.997) 27.798 18.622 ( 7.806 9.492 -13.872) 18.533 19.453 ( -2.063 -8.652 -1.190) 8.974 19.878 ( 19.085 2.003 -0.612) 19.199 20.297 ( -4.697 7.770 -3.066) 9.583 23.038 ( -9.827 -22.982 1.404) 25.035 23.507 ( 6.251 5.396 -2.401) 8.599 24.590 ( -9.008 2.942 -3.199) 10.002 ======================= Grid point 424 (205/361) ======================= q-point: (-0.20 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -3.874 8.527 21.913) 23.831 1.915 ( -11.423 10.718 21.405) 26.524 3.465 ( -6.307 -2.985 -3.081) 7.627 3.518 ( -13.044 -0.772 20.796) 24.560 3.707 ( -4.619 -2.721 0.649) 5.400 3.911 ( 7.059 2.508 -6.491) 9.912 4.419 ( -3.235 -11.927 -1.490) 12.447 4.868 ( -2.056 5.033 -9.070) 10.574 5.447 ( 1.058 -3.119 -2.157) 3.937 5.620 ( 0.116 -0.637 17.088) 17.101 5.923 ( 11.675 1.787 3.459) 12.307 6.375 ( 1.486 -8.619 10.998) 14.052 6.547 ( 4.255 -1.577 7.888) 9.100 6.871 ( -10.948 -10.613 -2.692) 15.483 7.381 ( -4.486 4.455 -14.781) 16.076 8.088 ( -8.225 -8.342 15.016) 19.045 8.549 ( -2.331 13.424 22.076) 25.942 9.408 ( -1.405 11.266 -5.705) 12.706 9.516 ( -1.530 -10.925 5.497) 12.325 9.944 ( 8.086 10.447 6.213) 14.599 10.283 ( -21.967 -16.992 -3.239) 27.960 11.097 ( 3.588 19.604 -6.287) 20.898 11.867 ( 4.695 -3.779 -9.476) 11.230 12.343 ( -8.070 -2.052 -0.084) 8.327 12.711 ( -3.832 10.297 4.471) 11.862 13.100 ( 2.022 -0.335 -2.209) 3.013 13.499 ( 0.529 4.624 -1.480) 4.884 14.877 ( 7.451 -7.312 -20.959) 23.415 18.103 ( 6.769 -11.247 -2.643) 13.390 18.709 ( 26.736 4.928 6.531) 27.960 19.424 ( -9.105 -13.967 -7.284) 18.194 20.059 ( -8.902 13.954 -0.637) 16.564 20.165 ( 23.643 1.353 -2.081) 23.773 23.135 ( -13.422 -26.988 2.222) 30.223 23.520 ( 7.507 3.784 -4.136) 9.369 24.202 ( -21.424 13.457 -10.351) 27.335 ======================= Grid point 425 (206/361) ======================= q-point: (-0.10 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 4.917 2.214 21.488) 22.154 2.022 ( -5.893 4.758 26.371) 27.437 3.338 ( -5.432 -1.568 -5.492) 7.882 3.570 ( -15.461 0.917 22.981) 27.713 3.766 ( 7.415 -6.047 -6.102) 11.348 3.884 ( 7.120 5.969 -6.846) 11.541 4.466 ( -1.110 -11.336 -4.452) 12.229 4.679 ( -0.121 8.923 -9.276) 12.872 5.429 ( -1.224 -0.513 1.575) 2.060 5.769 ( -8.945 0.707 16.949) 19.178 6.140 ( 9.841 0.553 3.672) 10.518 6.617 ( 5.996 -6.511 5.909) 10.643 6.712 ( -2.391 -0.096 16.785) 16.955 6.830 ( -4.598 -9.041 -3.646) 10.779 7.103 ( -5.584 5.316 -6.872) 10.328 8.256 ( -15.162 -8.091 27.318) 32.274 8.714 ( 3.088 6.268 15.884) 17.353 9.242 ( -0.278 8.185 -2.934) 8.700 9.640 ( -1.451 -9.348 0.694) 9.485 9.900 ( -10.546 11.509 3.450) 15.986 10.276 ( 1.472 -17.628 5.580) 18.549 10.883 ( 3.954 19.053 -8.169) 21.104 11.741 ( -1.570 -0.266 -14.333) 14.422 12.287 ( -5.289 -5.625 -3.085) 8.314 12.680 ( -2.111 7.917 10.871) 13.613 13.136 ( 6.807 0.336 -2.155) 7.148 13.448 ( -0.388 1.587 -2.149) 2.700 14.735 ( 3.717 -3.493 -21.637) 22.230 18.134 ( 7.698 -2.009 -10.884) 13.482 19.197 ( 13.755 1.395 0.264) 13.829 19.290 ( -0.430 -16.952 -7.194) 18.420 19.738 ( -13.540 12.404 -2.291) 18.505 20.541 ( 27.463 1.840 5.095) 27.992 23.111 ( -27.562 -24.548 -5.169) 37.269 23.556 ( 8.760 3.308 -4.398) 10.346 23.618 ( -17.274 18.282 -3.607) 25.409 ======================= Grid point 427 (207/361) ======================= q-point: ( 0.10 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 8.308 0.000 10.338) 13.263 2.982 ( 2.571 0.000 11.413) 11.699 3.098 ( 3.373 0.000 2.566) 4.239 3.450 ( -4.255 -0.000 -9.430) 10.346 3.478 ( -1.067 -0.000 -6.233) 6.323 3.825 ( 2.998 0.000 -12.743) 13.091 4.234 ( -1.169 -0.000 -4.975) 5.111 4.534 ( 5.133 0.000 3.058) 5.975 5.713 ( -8.181 -0.000 8.086) 11.503 5.794 ( -17.462 -0.000 9.705) 19.977 6.135 ( -5.932 -0.000 -1.142) 6.041 6.341 ( -10.537 -0.000 -0.965) 10.582 6.854 ( -2.131 -0.000 0.792) 2.274 6.919 ( 5.475 0.000 0.111) 5.476 7.768 ( -3.803 -0.000 36.090) 36.289 8.494 ( -17.163 -0.000 -12.303) 21.117 8.681 ( -16.825 -0.000 20.672) 26.653 9.379 ( 1.772 0.000 5.040) 5.343 9.593 ( 1.871 0.000 -4.195) 4.594 10.176 ( 12.515 0.000 22.648) 25.875 10.273 ( -6.096 -0.000 -13.648) 14.948 11.302 ( 8.064 0.000 -14.949) 16.986 11.515 ( 19.917 0.000 15.625) 25.315 11.908 ( 9.791 0.000 -10.953) 14.691 12.804 ( -3.525 -0.000 1.260) 3.743 13.380 ( -6.552 -0.000 6.683) 9.359 13.386 ( 6.988 0.000 -7.891) 10.541 14.163 ( 0.219 0.000 -10.205) 10.208 18.037 ( -11.866 -0.000 -17.504) 21.147 18.324 ( 11.348 0.000 -1.255) 11.417 19.105 ( -12.352 -0.000 5.538) 13.536 19.712 ( -10.629 -0.000 1.222) 10.699 21.640 ( -9.208 -0.000 -18.471) 20.639 22.080 ( 18.830 0.000 17.073) 25.417 23.272 ( -0.391 -0.000 -0.013) 0.391 23.838 ( 8.973 0.000 -1.382) 9.079 ======================= Grid point 428 (208/361) ======================= q-point: ( 0.20 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( -3.673 8.387 -0.153) 9.157 2.996 ( 0.916 -5.553 -4.196) 7.020 3.270 ( 2.210 0.590 4.777) 5.297 3.307 ( -2.489 -0.077 -6.152) 6.636 3.478 ( 1.849 2.178 11.137) 11.497 3.726 ( 6.469 -2.582 -14.143) 15.765 4.226 ( 4.900 -3.185 -2.497) 6.355 4.654 ( 2.361 -6.521 2.187) 7.272 5.554 ( -18.830 5.544 3.665) 19.969 5.656 ( -16.360 -4.629 2.656) 17.209 6.030 ( -8.716 -0.428 0.367) 8.734 6.200 ( -10.613 0.129 2.817) 10.981 6.852 ( 1.725 2.938 0.590) 3.458 7.005 ( 5.204 -2.319 -1.107) 5.803 8.042 ( -12.457 11.437 -10.236) 19.767 8.097 ( -8.583 2.905 31.061) 32.356 8.731 ( -16.439 -10.943 13.200) 23.754 9.466 ( -1.000 1.963 8.192) 8.483 9.532 ( -0.459 1.122 -4.651) 4.806 9.983 ( -10.775 -2.525 -13.849) 17.728 10.662 ( 14.983 -2.216 19.021) 24.314 11.264 ( 14.249 10.168 -9.849) 20.085 11.895 ( 14.628 6.514 -7.048) 17.495 12.042 ( 19.044 -6.097 10.204) 22.449 12.809 ( -0.432 -7.060 -0.086) 7.073 13.327 ( -5.766 1.463 0.173) 5.951 13.360 ( -5.134 -1.983 -0.320) 5.513 14.075 ( 5.471 -1.172 -10.184) 11.620 17.684 ( -10.618 -0.420 -13.822) 17.434 18.510 ( 10.170 -0.083 6.801) 12.235 19.029 ( -5.873 -1.000 1.961) 6.272 19.549 ( -14.998 -1.913 2.577) 15.337 21.299 ( -0.562 6.119 -20.390) 21.296 22.503 ( 6.456 -5.406 15.257) 17.426 23.326 ( 8.163 0.662 0.987) 8.249 23.949 ( 7.370 0.211 0.772) 7.414 ======================= Grid point 429 (209/361) ======================= q-point: (-0.70 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( -9.501 5.018 -0.074) 10.745 2.899 ( -7.927 -1.295 -7.437) 10.947 3.205 ( -1.529 1.029 -3.333) 3.809 3.346 ( -0.535 -4.588 2.726) 5.364 3.612 ( 3.820 6.783 6.005) 9.832 3.747 ( 8.688 -4.484 -5.342) 11.141 4.352 ( 8.667 -5.565 -0.461) 10.310 4.762 ( -1.881 -10.477 0.944) 10.686 5.238 ( -21.507 4.109 1.071) 21.922 5.486 ( -13.807 -4.304 -0.155) 14.463 5.900 ( -10.828 0.097 0.768) 10.855 6.110 ( -9.401 0.486 5.969) 11.146 6.827 ( -0.562 5.055 -1.251) 5.237 7.068 ( 2.190 -3.732 -1.770) 4.675 7.721 ( -2.304 8.325 -8.634) 12.214 8.239 ( -13.955 4.156 20.811) 25.399 8.745 ( -14.049 -8.472 10.380) 19.414 9.480 ( 0.268 0.067 -1.103) 1.137 9.497 ( -6.116 4.546 7.062) 10.390 9.714 ( -10.830 -8.899 -9.232) 16.784 11.063 ( 12.151 3.545 11.180) 16.888 11.248 ( 14.912 18.798 -2.864) 24.165 11.913 ( 14.482 4.597 -12.614) 19.748 12.463 ( 13.967 -5.158 5.004) 15.708 12.944 ( 7.476 -5.909 3.237) 10.064 13.216 ( -8.665 -1.855 2.226) 9.136 13.274 ( -9.833 -0.218 2.475) 10.142 14.102 ( 10.802 -8.282 -11.119) 17.576 17.393 ( -10.307 0.225 -9.022) 13.700 18.777 ( 8.718 0.413 13.388) 15.981 19.007 ( 1.286 -3.606 -3.338) 5.079 19.429 ( -9.276 -3.361 3.149) 10.356 20.998 ( 2.162 8.047 -19.264) 20.989 22.707 ( -6.484 -9.593 6.939) 13.499 23.507 ( 14.336 5.705 4.489) 16.069 24.077 ( 5.840 -1.734 4.813) 7.764 ======================= Grid point 430 (210/361) ======================= q-point: (-0.60 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -13.283 3.828 5.067) 14.723 2.644 ( -14.697 4.037 -4.413) 15.868 3.204 ( 5.239 -5.605 -3.723) 8.528 3.398 ( -3.265 -5.564 2.529) 6.929 3.647 ( 1.982 8.036 5.833) 10.126 3.829 ( 1.821 -5.810 -3.343) 6.946 4.523 ( 8.051 -4.083 -0.033) 9.027 4.708 ( -15.011 0.071 -0.525) 15.021 5.043 ( -8.843 -12.083 1.477) 15.046 5.380 ( -5.790 -3.953 0.430) 7.024 5.752 ( -11.259 0.332 1.956) 11.433 6.071 ( -7.122 1.202 7.762) 10.602 6.707 ( -5.686 5.040 -2.942) 8.148 7.085 ( -1.732 -4.586 -2.531) 5.517 7.598 ( 5.095 4.424 -6.339) 9.259 8.143 ( -17.790 3.550 7.485) 19.624 8.762 ( -9.587 -3.993 9.906) 14.352 9.375 ( -9.375 1.224 0.936) 9.501 9.522 ( 1.485 -1.915 3.260) 4.062 9.654 ( -7.691 -9.802 3.600) 12.969 11.050 ( 8.185 27.175 -4.152) 28.683 11.419 ( 11.263 6.326 9.049) 15.772 11.907 ( 13.259 3.837 -14.184) 19.792 12.634 ( 5.796 -4.626 -4.680) 8.770 12.966 ( -7.848 -0.202 -0.198) 7.853 13.164 ( -9.625 -0.933 2.253) 9.929 13.404 ( 11.777 -3.451 12.391) 17.439 14.241 ( 12.730 -15.319 -11.232) 22.866 17.183 ( -8.260 0.396 -1.397) 8.387 18.938 ( 1.610 -3.018 -5.586) 6.550 19.135 ( 9.707 0.112 10.345) 14.186 19.447 ( 3.128 -2.611 2.707) 4.892 20.737 ( 1.132 6.812 -15.061) 16.568 22.711 ( -12.222 -12.718 0.695) 17.653 23.660 ( 11.046 11.313 2.261) 15.972 24.288 ( 4.897 -5.814 10.393) 12.877 ======================= Grid point 431 (211/361) ======================= q-point: (-0.50 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -16.162 7.702 -2.504) 18.078 2.391 ( -17.979 9.672 13.530) 24.492 3.332 ( 7.083 -8.125 -2.538) 11.074 3.412 ( -3.380 -3.233 1.392) 4.880 3.708 ( -1.812 0.948 9.421) 9.640 3.821 ( -3.810 -3.797 0.214) 5.384 4.413 ( -15.652 -2.252 -4.265) 16.379 4.719 ( 7.805 -3.790 3.178) 9.240 5.108 ( -4.383 -15.216 -0.530) 15.843 5.403 ( 1.399 -2.057 2.912) 3.830 5.663 ( -7.732 -1.731 6.172) 10.044 6.080 ( -3.734 1.323 7.741) 8.696 6.526 ( -7.740 3.288 -3.352) 9.053 7.027 ( -7.895 -5.949 -3.744) 10.571 7.587 ( 5.403 0.073 -5.936) 8.027 7.937 ( -14.300 0.843 2.776) 14.591 8.780 ( -5.815 3.456 9.956) 12.037 9.280 ( -8.985 -3.037 2.797) 9.888 9.622 ( 2.409 0.731 6.867) 7.314 9.713 ( -7.068 -14.271 3.786) 16.369 10.818 ( 3.816 29.238 -3.956) 29.750 11.573 ( 8.499 10.189 4.962) 14.166 11.858 ( 10.981 4.423 -14.858) 18.998 12.633 ( -1.488 -2.144 -4.574) 5.266 12.872 ( -8.567 0.940 5.701) 10.333 13.094 ( -3.588 -5.723 -3.391) 7.558 13.679 ( 8.965 3.689 5.128) 10.967 14.448 ( 12.899 -18.432 -10.525) 24.838 17.164 ( -2.193 -3.376 9.749) 10.547 18.855 ( 2.867 -1.488 -14.303) 14.663 19.356 ( 6.119 3.327 5.920) 9.141 19.628 ( 15.604 -0.598 2.344) 15.790 20.538 ( -2.129 3.563 -7.988) 9.002 22.649 ( -14.328 -16.404 -0.393) 21.784 23.688 ( 7.616 12.391 -0.470) 14.552 24.521 ( 0.370 -6.401 9.305) 11.300 ======================= Grid point 432 (212/361) ======================= q-point: (-0.40 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -14.327 15.051 8.825) 22.576 2.230 ( -16.087 11.592 15.243) 25.011 3.410 ( -1.860 -0.572 3.443) 3.955 3.448 ( -0.569 -6.967 0.422) 7.003 3.703 ( -11.757 -5.485 4.205) 13.638 3.902 ( 3.866 2.542 7.690) 8.975 4.209 ( -9.186 -9.199 -6.850) 14.695 4.901 ( 5.150 -7.243 -1.281) 8.979 5.183 ( -1.007 -8.949 4.928) 10.266 5.494 ( 1.965 0.250 5.639) 5.977 5.738 ( 0.077 -4.049 9.146) 10.003 6.131 ( -0.829 -0.340 6.344) 6.407 6.394 ( -4.664 -1.004 0.629) 4.812 6.881 ( -14.085 -7.442 -3.682) 16.350 7.547 ( -1.056 -2.628 -8.026) 8.511 7.863 ( -4.092 -3.907 3.967) 6.910 8.784 ( -4.799 11.305 13.707) 18.404 9.246 ( -8.068 -7.138 4.917) 11.841 9.715 ( 2.160 4.068 3.042) 5.520 9.777 ( -7.561 -15.055 1.899) 16.954 10.557 ( 0.044 25.107 -1.171) 25.134 11.594 ( 9.061 17.418 -1.948) 19.730 11.798 ( 8.118 0.456 -11.026) 13.700 12.530 ( -7.665 2.050 -1.188) 8.023 12.849 ( -5.208 0.730 6.381) 8.269 13.065 ( 0.528 -5.956 -6.502) 8.834 13.722 ( 2.498 8.626 -0.498) 8.994 14.632 ( 10.251 -16.750 -13.654) 23.918 17.440 ( 5.926 -11.328 17.871) 21.973 18.725 ( 8.267 0.760 -17.702) 19.552 19.390 ( -0.089 2.939 -1.446) 3.277 19.918 ( 22.396 2.089 -0.166) 22.494 20.400 ( -5.521 3.203 -1.349) 6.524 22.618 ( -15.090 -20.964 1.893) 25.899 23.662 ( 6.556 10.686 -2.257) 12.738 24.590 ( -7.980 -2.857 1.835) 8.672 ======================= Grid point 433 (213/361) ======================= q-point: (-0.30 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -4.462 14.782 18.519) 24.112 2.129 ( -12.755 11.619 19.280) 25.873 3.390 ( -6.779 -5.137 -2.287) 8.808 3.503 ( -4.894 -1.283 9.743) 10.979 3.656 ( -5.415 -2.582 3.753) 7.076 3.983 ( 5.621 5.999 0.493) 8.235 4.173 ( -2.660 -14.455 -3.836) 15.190 4.907 ( -1.058 -1.624 -5.677) 5.998 5.366 ( 2.538 -5.747 3.888) 7.388 5.612 ( -0.805 0.177 14.647) 14.670 5.931 ( 8.691 -2.307 6.626) 11.170 6.232 ( -0.142 -5.613 7.639) 9.480 6.460 ( -0.106 -6.801 8.347) 10.767 6.705 ( -14.571 -7.885 -1.254) 16.615 7.413 ( -3.603 -0.292 -10.566) 11.167 7.930 ( -4.716 -8.771 5.911) 11.580 8.802 ( -5.945 13.105 20.369) 24.940 9.322 ( -3.366 -10.171 6.919) 12.754 9.641 ( -0.280 9.615 -5.043) 10.861 9.822 ( -9.343 -14.361 2.049) 17.255 10.360 ( 0.312 20.487 2.689) 20.665 11.475 ( 9.101 21.346 -8.054) 24.563 11.801 ( 5.611 -2.645 -8.380) 10.426 12.358 ( -10.134 2.491 -1.939) 10.614 12.844 ( -3.355 4.145 6.119) 8.117 13.071 ( 3.318 -3.087 -3.010) 5.441 13.630 ( -1.093 8.979 -1.337) 9.144 14.686 ( 6.371 -13.336 -18.484) 23.666 17.868 ( 7.833 -13.704 9.576) 18.462 18.714 ( 15.703 -5.838 -11.021) 20.053 19.297 ( -3.168 1.676 -4.864) 6.042 20.128 ( 4.605 -1.300 -7.457) 8.860 20.338 ( 11.547 11.932 6.060) 17.676 22.643 ( -16.738 -24.762 3.915) 30.144 23.632 ( 6.997 7.978 -3.978) 11.333 24.373 ( -17.290 5.032 -5.698) 18.887 ======================= Grid point 434 (214/361) ======================= q-point: (-0.20 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 3.013 7.589 18.676) 20.383 2.152 ( -8.998 8.442 24.205) 27.168 3.287 ( -5.904 -3.829 -4.847) 8.544 3.580 ( -4.838 -1.278 11.506) 12.547 3.684 ( 1.008 -1.760 0.570) 2.107 3.992 ( 6.000 6.300 -2.758) 9.126 4.238 ( 1.022 -13.040 -5.625) 14.238 4.813 ( -0.340 4.919 -5.288) 7.230 5.416 ( -0.905 -0.901 2.285) 2.618 5.785 ( -6.596 0.839 17.782) 18.985 6.153 ( 10.279 0.309 2.682) 10.628 6.442 ( 0.147 -11.965 12.810) 17.529 6.631 ( -6.032 -9.757 3.522) 12.000 6.665 ( -0.445 -6.148 11.539) 13.083 7.189 ( -6.110 3.325 -10.525) 12.616 8.043 ( -9.383 -13.459 13.050) 20.964 8.878 ( -6.121 10.045 20.741) 23.844 9.435 ( -2.545 -2.199 0.917) 3.486 9.508 ( 2.598 7.846 2.188) 8.550 9.848 ( -10.568 -17.306 2.621) 20.446 10.247 ( 3.866 17.366 2.697) 17.994 11.286 ( 7.917 23.080 -8.385) 25.800 11.728 ( 0.969 -1.089 -14.046) 14.122 12.192 ( -8.867 -3.259 -2.642) 9.809 12.846 ( -1.732 8.174 9.254) 12.468 13.137 ( 7.150 -0.425 -1.127) 7.251 13.516 ( -2.185 5.984 -1.828) 6.628 14.610 ( 2.961 -9.912 -20.277) 22.763 18.066 ( 7.955 -5.192 -6.085) 11.281 18.920 ( -3.145 -21.331 -6.531) 22.529 19.250 ( 14.363 4.075 -1.326) 14.989 19.926 ( -10.502 6.110 -6.840) 13.943 20.627 ( 25.114 8.057 6.825) 27.244 22.647 ( -21.255 -24.229 1.478) 32.265 23.624 ( 8.349 4.960 -5.110) 10.974 23.924 ( -20.385 12.963 -6.252) 24.953 ======================= Grid point 435 (215/361) ======================= q-point: (-0.10 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 3.561 1.629 15.976) 16.449 2.342 ( -0.827 4.133 26.280) 26.616 3.189 ( -2.001 -2.731 -6.382) 7.225 3.636 ( 0.564 -5.341 -4.884) 7.260 3.697 ( -3.737 1.458 4.011) 5.673 3.977 ( 5.958 5.287 -4.869) 9.336 4.288 ( 1.983 -8.462 -5.032) 10.042 4.661 ( -0.989 9.773 -6.813) 11.955 5.487 ( 0.139 -1.050 9.087) 9.149 5.852 ( -10.085 2.531 15.840) 18.947 6.246 ( 0.650 0.543 1.572) 1.786 6.655 ( -4.317 -5.346 0.453) 6.886 6.718 ( 5.836 -4.704 0.772) 7.535 6.896 ( -7.055 -6.719 25.065) 26.891 7.004 ( -2.713 -0.240 -0.231) 2.734 8.243 ( -11.872 -18.836 18.728) 29.094 8.941 ( -4.757 6.230 14.274) 16.284 9.408 ( 5.085 11.580 2.122) 12.824 9.542 ( -4.652 -2.276 5.802) 7.777 9.809 ( -9.539 2.386 1.569) 9.958 10.320 ( 8.289 -8.581 1.849) 12.073 11.094 ( 8.340 24.061 -4.236) 25.815 11.557 ( 2.204 0.447 -15.087) 15.254 12.068 ( -7.299 -7.372 -7.666) 12.899 12.865 ( -1.615 9.654 9.693) 13.776 13.242 ( 9.937 0.929 -1.815) 10.144 13.425 ( -2.079 2.337 -1.278) 3.379 14.465 ( 0.273 -6.575 -17.905) 19.076 18.128 ( 10.612 -1.856 -8.543) 13.749 18.775 ( -14.293 -10.944 -13.038) 22.227 19.446 ( -2.135 -0.496 -0.356) 2.220 19.689 ( 3.830 5.009 -2.621) 6.828 21.046 ( 25.152 2.488 10.542) 27.385 22.460 ( -25.640 -13.691 -6.488) 29.781 23.515 ( -13.062 10.721 -0.938) 16.925 23.657 ( 9.461 2.081 -4.684) 10.761 ======================= Grid point 438 (216/361) ======================= q-point: ( 0.20 -0.80 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( -3.933 -0.000 -12.204) 12.822 2.873 ( -10.231 -0.000 0.154) 10.232 3.244 ( -2.446 -0.000 -2.818) 3.732 3.275 ( -3.763 -0.000 2.919) 4.762 3.681 ( 12.434 0.000 -13.250) 18.170 3.708 ( 2.043 0.000 14.209) 14.355 4.301 ( 7.935 0.000 1.662) 8.107 4.639 ( -2.057 -0.000 0.801) 2.207 5.314 ( -23.598 -0.000 -1.107) 23.624 5.420 ( -12.603 -0.000 1.484) 12.691 5.902 ( -10.514 -0.000 1.182) 10.580 6.114 ( -9.318 -0.000 6.130) 11.154 6.903 ( 1.531 0.000 -0.140) 1.537 7.003 ( 0.756 0.000 -4.358) 4.423 7.804 ( -5.814 -0.000 -10.552) 12.048 8.279 ( -16.747 -0.000 23.282) 28.679 8.665 ( -12.167 -0.000 14.620) 19.021 9.461 ( -2.088 -0.000 -4.437) 4.904 9.554 ( -5.026 -0.000 10.500) 11.641 9.629 ( -8.167 -0.000 -14.825) 16.926 11.085 ( 13.426 0.000 15.827) 20.755 11.449 ( 19.156 0.000 -8.119) 20.806 12.001 ( 14.765 0.000 -12.583) 19.400 12.369 ( 8.514 0.000 7.301) 11.216 12.886 ( 12.938 0.000 7.592) 15.001 13.164 ( -6.423 -0.000 -9.022) 11.075 13.298 ( -13.811 -0.000 9.919) 17.004 14.025 ( 9.081 0.000 -12.795) 15.690 17.395 ( -10.136 -0.000 -8.482) 13.217 18.782 ( 8.375 0.000 14.380) 16.641 18.975 ( 0.763 0.000 -3.378) 3.463 19.396 ( -8.538 -0.000 3.092) 9.080 21.075 ( 1.791 0.000 -21.253) 21.328 22.615 ( -6.691 -0.000 7.676) 10.183 23.563 ( 14.301 0.000 8.410) 16.591 24.058 ( 5.617 0.000 1.783) 5.893 ======================= Grid point 440 (217/361) ======================= q-point: (-0.70 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -4.342 0.351 -7.616) 8.774 2.712 ( -12.200 2.451 2.083) 12.617 3.153 ( -0.468 0.140 -4.851) 4.875 3.284 ( -5.368 -5.376 3.968) 8.571 3.684 ( 4.510 -2.264 -8.522) 9.904 3.848 ( -0.920 5.001 10.530) 11.693 4.468 ( 7.892 -1.604 4.663) 9.306 4.633 ( -4.108 -5.667 -0.782) 7.043 4.936 ( -22.700 -0.810 -2.273) 22.827 5.329 ( -4.739 -1.549 2.340) 5.508 5.762 ( -12.312 0.481 3.135) 12.714 6.086 ( -6.893 0.413 7.860) 10.462 6.819 ( -4.954 7.250 -3.529) 9.464 6.964 ( -3.598 -7.854 -4.709) 9.839 7.658 ( 1.595 1.749 -7.362) 7.734 8.201 ( -21.325 2.206 10.563) 23.899 8.719 ( -8.323 -0.854 15.717) 17.805 9.289 ( -8.626 -6.393 -10.479) 15.003 9.514 ( 2.589 1.781 0.667) 3.213 9.593 ( -8.094 -0.694 10.025) 12.903 11.387 ( 9.550 6.734 7.626) 13.954 11.579 ( 16.820 9.382 -3.347) 19.548 12.004 ( 13.797 6.885 -13.327) 20.381 12.500 ( 2.621 -8.923 -1.786) 9.470 12.945 ( -7.586 -0.382 -7.083) 10.385 13.154 ( -6.874 -1.014 3.021) 7.577 13.355 ( 10.209 -1.259 18.766) 21.401 14.031 ( 11.726 -6.427 -14.124) 19.450 17.188 ( -9.124 0.144 -1.923) 9.326 18.893 ( 1.585 -1.449 -7.049) 7.369 19.149 ( 10.985 0.714 14.535) 18.234 19.412 ( 4.364 -1.092 3.732) 5.845 20.823 ( -0.004 2.477 -18.854) 19.016 22.548 ( -12.315 -4.734 1.224) 13.250 23.843 ( 10.424 7.333 9.472) 15.879 24.176 ( 3.987 -5.228 4.440) 7.933 ======================= Grid point 441 (218/361) ======================= q-point: (-0.60 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -5.982 5.301 -1.575) 8.146 2.561 ( -13.054 8.273 10.708) 18.803 3.158 ( 4.506 -8.235 -4.482) 10.403 3.316 ( -4.094 -7.062 2.890) 8.660 3.635 ( -3.879 -5.637 -5.043) 8.500 3.886 ( -3.436 6.269 10.310) 12.546 4.425 ( -16.574 3.656 -3.023) 17.239 4.655 ( 5.115 -3.504 2.464) 6.672 4.831 ( -3.802 -13.516 2.098) 14.196 5.374 ( 2.150 -1.142 5.342) 5.871 5.647 ( -11.821 -0.200 7.593) 14.051 6.102 ( -3.793 0.963 7.668) 8.608 6.602 ( -9.543 5.252 -4.118) 11.646 6.883 ( -9.499 -9.044 -6.147) 14.485 7.600 ( 2.685 0.864 -6.229) 6.838 7.964 ( -17.626 2.087 2.261) 17.893 8.817 ( -5.068 1.174 14.958) 15.837 9.162 ( -5.324 -9.875 -6.423) 12.928 9.550 ( -10.536 -0.747 11.139) 15.351 9.639 ( 2.465 -0.463 5.909) 6.419 11.358 ( 7.246 25.794 -3.912) 27.077 11.723 ( 10.438 5.698 3.334) 12.351 11.958 ( 12.341 6.950 -13.320) 19.443 12.568 ( 2.218 -6.202 -4.915) 8.219 12.809 ( -5.595 -5.874 -2.727) 8.558 13.048 ( -12.105 0.089 4.935) 13.072 13.724 ( 11.746 1.813 8.836) 14.810 14.133 ( 12.660 -14.577 -12.111) 22.791 17.115 ( -4.863 -1.824 6.399) 8.242 18.810 ( 4.273 -2.497 -15.508) 16.279 19.439 ( 7.172 4.408 11.656) 14.379 19.623 ( 17.505 -0.115 3.719) 17.897 20.577 ( -3.166 0.918 -13.583) 13.978 22.416 ( -14.674 -8.806 -0.342) 17.117 23.926 ( 5.013 13.234 3.349) 14.542 24.374 ( 0.599 -9.606 7.824) 12.403 ======================= Grid point 442 (219/361) ======================= q-point: (-0.50 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -7.266 14.007 8.384) 17.868 2.440 ( -12.588 12.111 13.617) 22.149 3.262 ( -1.082 -10.688 -0.331) 10.748 3.375 ( 1.321 -5.764 0.587) 5.942 3.584 ( -4.962 -7.290 -1.395) 8.928 3.906 ( -8.368 -3.060 7.626) 11.728 4.189 ( -3.809 7.471 -0.171) 8.388 4.739 ( -0.167 -10.370 -2.978) 10.791 5.006 ( 2.234 -8.623 9.403) 12.953 5.509 ( 2.496 0.863 8.574) 8.972 5.656 ( -6.198 -4.195 12.102) 14.229 6.144 ( -0.748 1.323 5.389) 5.599 6.392 ( -10.251 0.820 -0.308) 10.288 6.720 ( -13.434 -9.733 -6.360) 17.766 7.529 ( -0.881 0.530 -7.057) 7.132 7.795 ( -7.776 -3.333 0.092) 8.461 8.922 ( -2.673 3.875 14.013) 14.783 9.121 ( -6.393 -7.956 -0.520) 10.220 9.529 ( -15.554 -7.173 10.176) 19.923 9.781 ( 5.960 2.257 6.536) 9.129 11.109 ( 4.338 31.427 -5.262) 32.158 11.800 ( 6.361 2.190 -5.424) 8.642 11.906 ( 12.445 13.007 -7.410) 19.467 12.548 ( -1.649 -0.185 -3.801) 4.147 12.808 ( -3.312 -6.457 1.807) 7.479 12.971 ( -6.111 -2.666 2.791) 7.228 13.845 ( 4.802 4.974 -1.237) 7.024 14.316 ( 9.666 -16.848 -10.228) 21.952 17.268 ( 2.035 -7.280 14.590) 16.432 18.679 ( 6.107 -4.082 -21.382) 22.608 19.527 ( 2.413 9.959 2.523) 10.553 19.949 ( 22.789 1.280 -0.623) 22.834 20.412 ( -3.477 -1.561 -3.429) 5.127 22.309 ( -14.911 -12.527 1.955) 19.573 23.878 ( 3.137 12.606 -0.197) 12.992 24.493 ( -6.718 -7.523 3.946) 10.830 ======================= Grid point 443 (220/361) ======================= q-point: (-0.40 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -5.811 15.919 14.966) 22.608 2.340 ( -10.885 12.436 15.871) 22.914 3.277 ( -6.901 -7.247 -0.772) 10.037 3.453 ( 0.219 -4.508 2.096) 4.976 3.600 ( -1.351 -4.667 2.263) 5.360 3.915 ( -4.476 -11.752 0.364) 12.581 4.152 ( 4.185 11.554 3.624) 12.812 4.800 ( 0.966 -9.650 -3.161) 10.201 5.242 ( 2.422 -7.305 9.316) 12.084 5.636 ( -1.105 2.326 14.132) 14.365 5.825 ( -0.755 -8.100 12.213) 14.675 6.185 ( -0.067 -0.619 3.263) 3.322 6.345 ( -6.153 -5.092 8.666) 11.785 6.561 ( -9.930 -8.106 -3.877) 13.392 7.404 ( -3.186 0.062 -7.607) 8.248 7.773 ( -4.080 -8.323 -0.639) 9.291 8.996 ( -5.015 7.466 14.654) 17.194 9.151 ( -4.316 -8.472 7.139) 11.890 9.493 ( -15.868 -10.943 6.651) 20.390 9.887 ( 5.338 8.065 3.532) 10.296 10.823 ( 2.988 28.653 -3.211) 28.987 11.740 ( 7.308 1.272 -14.913) 16.655 11.884 ( 9.827 16.883 -2.054) 19.643 12.408 ( -8.435 2.863 -5.096) 10.262 12.857 ( -2.380 -3.219 5.349) 6.681 13.008 ( 2.464 -2.755 2.783) 4.627 13.785 ( -0.682 7.135 -2.911) 7.736 14.413 ( 4.759 -15.587 -14.433) 21.770 17.629 ( 6.934 -11.843 15.549) 20.739 18.555 ( 6.986 -9.360 -21.321) 24.310 19.432 ( 1.247 10.823 -4.007) 11.608 20.084 ( 0.588 -3.465 -6.900) 7.743 20.514 ( 18.652 7.135 5.562) 20.730 22.271 ( -14.870 -15.714 4.528) 22.104 23.799 ( 3.137 9.959 -2.621) 10.765 24.396 ( -14.426 -2.023 -2.396) 14.763 ======================= Grid point 444 (221/361) ======================= q-point: (-0.30 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -2.905 9.587 14.908) 17.961 2.322 ( -7.613 10.730 20.024) 23.960 3.204 ( -6.483 -5.178 -3.534) 9.018 3.518 ( 0.758 -4.541 -0.328) 4.616 3.670 ( 0.401 -2.506 3.574) 4.384 4.014 ( 1.981 -10.198 0.736) 10.414 4.135 ( 4.035 9.597 0.154) 10.412 4.841 ( 2.350 -2.102 -3.285) 4.553 5.391 ( -0.042 -2.128 5.573) 5.966 5.799 ( -3.705 0.926 17.679) 18.087 6.086 ( 4.656 -10.578 10.201) 15.415 6.255 ( -4.281 -5.076 10.161) 12.138 6.475 ( -5.121 -7.345 12.089) 15.044 6.536 ( 0.966 -7.259 1.401) 7.456 7.228 ( -5.917 1.395 -9.545) 11.316 7.803 ( -6.159 -12.186 2.723) 13.923 9.041 ( -8.093 7.214 18.118) 21.114 9.286 ( -6.324 -8.430 9.787) 14.382 9.484 ( -5.793 -12.549 3.587) 14.279 9.865 ( 3.874 15.695 1.592) 16.244 10.611 ( 1.794 21.638 -0.344) 21.715 11.640 ( 9.722 6.674 -14.361) 18.583 11.773 ( 4.814 14.856 -9.994) 18.540 12.170 ( -12.289 0.264 -5.084) 13.302 12.931 ( -0.936 0.183 7.807) 7.865 13.135 ( 7.669 1.059 3.763) 8.608 13.648 ( -3.939 7.609 -2.140) 8.832 14.387 ( 1.434 -13.998 -17.609) 22.541 17.954 ( 8.251 -6.852 2.465) 11.005 18.550 ( 0.357 -18.365 -9.439) 20.652 19.342 ( 8.343 5.913 -5.892) 11.801 19.956 ( -8.575 -1.953 -6.534) 10.956 20.819 ( 24.442 11.854 6.106) 27.843 22.264 ( -15.512 -17.247 3.660) 23.484 23.732 ( 4.401 6.627 -4.164) 8.979 24.085 ( -18.524 4.996 -5.888) 20.069 ======================= Grid point 445 (222/361) ======================= q-point: (-0.20 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -0.597 3.137 14.902) 15.240 2.446 ( 0.291 7.098 21.209) 22.367 3.124 ( -2.788 -4.041 -4.825) 6.884 3.522 ( -0.601 -6.172 -7.087) 9.417 3.711 ( -0.336 -1.799 -1.417) 2.315 4.053 ( 0.628 1.314 -3.644) 3.924 4.199 ( 7.346 0.845 3.762) 8.296 4.806 ( 1.985 5.692 -5.237) 7.985 5.476 ( -0.823 0.052 9.258) 9.295 5.901 ( -8.153 2.475 14.879) 17.146 6.250 ( 1.302 -0.768 0.980) 1.801 6.495 ( -2.555 -11.591 16.057) 19.968 6.619 ( 5.463 -5.480 2.359) 8.090 6.734 ( -3.807 -10.330 18.899) 21.872 7.007 ( -7.236 0.532 -5.475) 9.089 7.896 ( -8.273 -17.509 6.570) 20.449 9.067 ( -8.767 6.640 15.676) 19.149 9.343 ( -8.404 -8.256 7.714) 14.081 9.646 ( 1.036 -8.703 4.265) 9.748 9.824 ( 5.329 15.058 6.331) 17.182 10.435 ( -0.407 16.051 -1.256) 16.106 11.518 ( 10.438 21.384 -8.896) 25.404 11.569 ( 3.198 1.787 -15.380) 15.811 11.949 ( -10.196 -4.856 -7.588) 13.606 13.012 ( -0.485 3.808 8.853) 9.650 13.270 ( 7.277 3.671 2.518) 8.531 13.505 ( -2.377 6.011 -2.007) 6.769 14.293 ( -0.269 -11.971 -16.746) 20.587 18.084 ( 10.293 -2.788 -6.687) 12.587 18.549 ( -10.725 -12.915 -4.267) 17.322 19.414 ( 6.965 -2.856 -4.991) 9.032 19.761 ( -3.667 2.040 -5.827) 7.181 21.136 ( 18.539 7.728 10.182) 22.519 22.207 ( -13.475 -12.836 -2.510) 18.779 23.696 ( -11.655 6.944 -4.282) 14.226 23.711 ( 2.352 4.946 -4.394) 7.022 ======================= Grid point 446 (223/361) ======================= q-point: (-0.10 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 2.383 -1.077 14.903) 15.131 2.707 ( 6.282 3.132 19.166) 20.411 3.081 ( 0.897 -2.719 -5.095) 5.844 3.456 ( -1.782 -7.432 -9.485) 12.181 3.649 ( -0.548 0.614 -7.964) 8.006 3.987 ( 0.164 1.812 -6.117) 6.382 4.309 ( 3.552 3.259 2.123) 5.267 4.684 ( 2.482 10.574 -4.486) 11.752 5.596 ( -3.023 -1.478 11.691) 12.165 5.915 ( -11.153 2.886 13.168) 17.495 6.233 ( -3.183 0.679 -0.743) 3.338 6.519 ( -9.075 -0.255 -2.701) 9.472 6.748 ( 2.742 -4.471 0.558) 5.274 6.915 ( -3.022 -2.167 4.808) 6.079 7.191 ( 1.042 -10.919 31.611) 33.460 8.034 ( -10.404 -23.441 5.712) 26.275 9.096 ( -6.006 5.530 14.245) 16.419 9.426 ( -4.349 -7.104 8.306) 11.763 9.587 ( -10.051 8.964 -3.109) 13.822 9.920 ( 8.159 8.414 10.391) 15.663 10.374 ( 5.123 1.365 -0.883) 5.375 11.350 ( -2.703 8.082 -8.888) 12.314 11.454 ( 12.657 9.203 -6.968) 17.130 11.828 ( 3.097 -6.259 -10.638) 12.725 13.033 ( -2.249 10.137 6.107) 12.046 13.303 ( -3.371 -2.832 1.697) 4.719 13.468 ( 7.791 7.114 -2.436) 10.828 14.198 ( -0.118 -8.565 -12.554) 15.198 18.166 ( 8.195 -2.724 -5.896) 10.456 18.386 ( -8.713 -3.288 -9.925) 13.610 19.300 ( -11.945 1.638 -2.309) 12.276 19.761 ( 4.162 -0.829 -1.390) 4.466 21.433 ( 3.100 -6.581 9.969) 12.341 22.089 ( 2.195 1.994 -6.616) 7.251 23.421 ( -8.521 6.228 -1.609) 10.676 23.744 ( 7.726 0.764 -2.927) 8.298 ======================= Grid point 450 (224/361) ======================= q-point: ( 0.30 -0.70 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -0.436 -0.000 -1.217) 1.292 2.646 ( -9.058 -0.000 9.389) 13.046 3.080 ( 1.130 0.000 -5.844) 5.953 3.228 ( -5.246 -0.000 3.522) 6.318 3.578 ( -3.864 -0.000 -5.521) 6.739 3.950 ( -8.313 -0.000 10.156) 13.125 4.530 ( -13.375 -0.000 -0.994) 13.412 4.555 ( -0.797 -0.000 -4.099) 4.175 4.701 ( 1.869 0.000 7.974) 8.190 5.363 ( 2.492 0.000 5.516) 6.052 5.647 ( -13.678 -0.000 8.426) 16.065 6.111 ( -3.862 -0.000 7.849) 8.748 6.712 ( -7.911 -0.000 -8.017) 11.263 6.734 ( -12.384 -0.000 -3.295) 12.815 7.608 ( 2.382 0.000 -6.821) 7.225 7.991 ( -19.395 -0.000 2.056) 19.504 8.828 ( -6.320 -0.000 17.548) 18.652 9.048 ( -3.649 -0.000 -7.909) 8.711 9.570 ( -14.359 -0.000 12.436) 18.996 9.624 ( 6.835 0.000 4.266) 8.057 11.614 ( 6.418 0.000 2.997) 7.083 11.774 ( 13.466 0.000 -6.343) 14.885 12.082 ( 15.909 0.000 -14.337) 21.416 12.440 ( -1.854 -0.000 0.277) 1.874 12.757 ( -4.866 -0.000 -5.269) 7.172 13.052 ( -13.446 -0.000 6.081) 14.757 13.748 ( 13.079 0.000 13.184) 18.570 13.981 ( 12.296 0.000 -15.829) 20.043 17.099 ( -5.735 -0.000 5.240) 7.769 18.785 ( 4.633 0.000 -16.067) 16.722 19.484 ( 7.635 0.000 14.828) 16.678 19.622 ( 18.140 0.000 4.007) 18.577 20.583 ( -3.523 -0.000 -16.537) 16.908 22.335 ( -14.488 -0.000 -0.151) 14.489 24.126 ( 3.158 0.000 10.832) 11.283 24.208 ( 1.471 0.000 1.174) 1.883 ======================= Grid point 452 (225/361) ======================= q-point: (-0.60 0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -2.702 6.921 7.215) 10.357 2.658 ( -6.163 9.388 13.854) 17.834 3.084 ( 1.385 -6.955 -1.745) 7.303 3.235 ( -2.856 -7.306 1.906) 8.073 3.475 ( -3.030 -3.424 -4.248) 6.240 3.865 ( -14.060 -0.938 4.784) 14.881 4.360 ( -1.873 9.252 4.132) 10.305 4.549 ( -2.373 -9.519 -2.814) 10.206 4.903 ( 4.368 -2.672 10.885) 12.030 5.510 ( 5.545 -0.566 7.345) 9.220 5.608 ( -13.065 -0.935 15.697) 20.445 6.166 ( -1.096 0.778 6.739) 6.871 6.433 ( -14.092 3.957 -2.764) 14.895 6.551 ( -11.933 -8.086 -6.707) 15.898 7.549 ( 2.008 1.043 -7.441) 7.777 7.749 ( -12.182 -1.424 -3.481) 12.750 8.954 ( -5.862 0.440 15.637) 16.705 8.981 ( -1.219 -5.084 -1.791) 5.527 9.495 ( -17.931 0.631 13.346) 22.361 9.806 ( 7.657 0.574 7.539) 10.761 11.590 ( 5.312 17.410 -6.663) 19.383 11.818 ( 6.472 -0.009 -9.828) 11.768 12.109 ( 13.682 9.363 -5.826) 17.573 12.461 ( -1.033 -9.969 -3.024) 10.469 12.710 ( 1.244 -1.303 0.468) 1.861 12.948 ( -12.145 -0.670 7.145) 14.107 13.921 ( 8.261 3.996 -7.010) 11.548 14.062 ( 7.823 -9.931 -2.671) 12.921 17.178 ( 0.374 -2.480 12.343) 12.595 18.619 ( 5.190 -1.872 -22.786) 23.445 19.683 ( 2.593 5.459 7.836) 9.896 19.964 ( 22.087 0.346 -1.573) 22.146 20.368 ( -0.819 -2.135 -7.848) 8.174 22.161 ( -13.917 -3.944 2.341) 14.654 24.110 ( -0.791 12.470 1.827) 12.628 24.324 ( -4.477 -10.699 4.010) 12.272 ======================= Grid point 453 (226/361) ======================= q-point: (-0.50 0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -7.778 10.468 10.964) 17.038 2.615 ( -5.099 17.125 12.376) 21.735 3.134 ( -4.920 -7.797 0.931) 9.266 3.319 ( -2.215 -11.419 2.386) 11.874 3.469 ( 2.872 -7.117 -4.545) 8.919 3.802 ( -4.077 -1.169 6.093) 7.424 4.365 ( 3.641 10.164 4.546) 11.714 4.599 ( 1.105 -10.523 -0.655) 10.601 5.126 ( 2.064 -4.817 11.895) 12.998 5.680 ( -0.189 -4.932 7.788) 9.220 5.685 ( -8.698 0.742 21.447) 23.155 6.189 ( -4.842 1.110 2.588) 5.601 6.276 ( -7.615 -2.693 7.846) 11.261 6.417 ( -4.597 -7.077 -5.068) 9.844 7.432 ( -2.155 3.105 -7.841) 8.704 7.630 ( -3.015 -7.272 -5.535) 9.623 9.015 ( -0.648 -5.553 3.231) 6.457 9.062 ( -6.605 0.113 14.523) 15.955 9.398 ( -19.314 -0.503 14.119) 23.930 9.991 ( 7.248 3.549 7.196) 10.813 11.337 ( 3.509 25.339 -10.114) 27.508 11.743 ( 5.385 0.009 -13.813) 14.826 12.141 ( 6.377 9.744 0.139) 11.646 12.441 ( -0.272 -1.885 -10.409) 10.581 12.776 ( -2.274 -1.649 7.527) 8.034 12.961 ( 0.849 -3.569 6.825) 7.749 13.875 ( 3.320 2.635 -8.142) 9.180 14.162 ( 0.795 -10.565 -6.455) 12.406 17.456 ( 6.094 -6.740 16.707) 19.018 18.416 ( 4.635 -5.363 -24.810) 25.803 19.641 ( -0.630 11.145 -3.327) 11.648 20.000 ( -3.874 -5.802 -8.242) 10.798 20.600 ( 27.468 2.525 4.556) 27.958 22.069 ( -12.835 -6.719 4.891) 15.291 23.985 ( -1.620 10.252 -1.535) 10.492 24.315 ( -11.307 -6.511 -0.437) 13.055 ======================= Grid point 454 (227/361) ======================= q-point: (-0.40 0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -7.415 8.729 11.161) 15.992 2.558 ( -3.893 14.888 13.658) 20.575 3.103 ( -6.389 -5.610 -1.596) 8.651 3.410 ( -1.507 -8.638 0.094) 8.769 3.549 ( 5.547 -8.635 -4.994) 11.414 3.911 ( 1.155 -1.465 10.646) 10.808 4.328 ( 1.620 10.463 -0.237) 10.591 4.746 ( 7.825 -7.330 -1.716) 10.858 5.333 ( 0.458 -3.937 11.135) 11.819 5.803 ( -1.951 -5.288 7.712) 9.552 5.873 ( -8.952 -5.048 26.798) 28.701 6.204 ( -1.775 -2.340 6.673) 7.291 6.355 ( -3.762 -5.733 10.593) 12.618 6.430 ( 2.819 -4.064 -0.448) 4.966 7.252 ( -5.828 1.404 -8.953) 10.775 7.615 ( -0.597 -8.154 -4.568) 9.365 9.118 ( -4.931 0.421 12.075) 13.050 9.153 ( -6.697 -5.824 12.670) 15.469 9.330 ( -12.974 -3.293 11.282) 17.505 10.107 ( 6.478 9.606 4.922) 12.588 11.026 ( 1.575 23.074 -8.644) 24.690 11.651 ( 6.636 -0.594 -14.563) 16.015 12.089 ( 0.113 9.924 -1.947) 10.114 12.217 ( -3.678 8.226 -14.356) 16.950 12.872 ( -2.761 -4.803 8.500) 10.146 13.163 ( 10.640 0.664 7.664) 13.129 13.765 ( -3.198 4.670 -4.074) 6.974 14.133 ( -2.148 -12.591 -12.458) 17.842 17.827 ( 8.522 -6.663 12.219) 16.320 18.276 ( 3.019 -11.229 -16.053) 19.822 19.460 ( 0.874 6.771 -9.486) 11.688 19.886 ( -7.365 -5.171 -5.163) 10.375 21.019 ( 29.228 9.260 4.280) 30.957 22.022 ( -12.322 -9.441 3.930) 16.013 23.856 ( -0.600 6.840 -3.510) 7.712 24.121 ( -15.544 -0.619 -4.319) 16.145 ======================= Grid point 455 (228/361) ======================= q-point: (-0.30 0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -1.117 5.597 11.604) 12.932 2.595 ( -0.845 9.089 15.842) 18.284 3.051 ( -2.562 -3.771 -2.454) 5.178 3.411 ( -3.120 -6.364 -5.381) 8.899 3.628 ( 5.587 -6.192 -6.799) 10.760 4.022 ( -6.427 -3.049 5.653) 9.086 4.303 ( 9.629 7.764 0.435) 12.376 4.861 ( 7.685 0.481 -3.783) 8.579 5.480 ( -1.334 -0.128 11.063) 11.143 5.915 ( -4.650 -2.709 10.275) 11.599 6.161 ( -2.774 -8.610 15.226) 17.711 6.332 ( -2.048 -3.642 17.070) 17.574 6.534 ( 4.054 -3.710 4.669) 7.211 6.541 ( -0.604 -10.185 11.525) 15.392 7.019 ( -9.357 0.668 -8.077) 12.379 7.642 ( -1.430 -9.868 -2.355) 10.245 9.167 ( -9.763 4.267 14.517) 18.008 9.198 ( -15.084 -7.180 14.623) 22.201 9.461 ( 3.808 -8.778 6.780) 11.727 10.133 ( 6.537 15.657 4.320) 17.508 10.755 ( -1.629 17.632 -5.745) 18.616 11.569 ( 5.840 -0.009 -14.645) 15.766 11.901 ( -12.798 -0.439 -7.185) 14.684 11.922 ( 9.705 20.705 -13.093) 26.350 12.984 ( -2.089 -5.136 7.351) 9.208 13.383 ( 8.408 6.747 7.214) 12.972 13.618 ( -3.751 5.835 -0.931) 6.999 14.048 ( -1.891 -14.074 -14.777) 20.494 18.035 ( 9.796 -2.358 -4.591) 11.072 18.323 ( -3.743 -11.487 2.939) 12.434 19.354 ( 2.997 -3.275 -9.624) 10.599 19.764 ( -3.038 -1.252 -5.640) 6.527 21.317 ( 13.879 11.392 7.151) 19.327 22.006 ( -2.324 -9.278 -1.485) 9.679 23.764 ( -0.431 3.026 -4.476) 5.420 23.822 ( -12.941 4.591 -4.339) 14.400 ======================= Grid point 456 (229/361) ======================= q-point: (-0.20 0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 0.298 2.059 12.759) 12.928 2.770 ( 6.760 3.385 13.744) 15.686 3.042 ( 0.979 -1.110 -1.110) 1.850 3.328 ( -3.366 -6.181 -8.180) 10.792 3.635 ( 4.764 -1.881 -9.719) 10.986 3.969 ( -7.146 -3.813 -0.988) 8.160 4.408 ( 8.724 6.364 1.488) 10.901 4.852 ( 5.028 7.501 -4.941) 10.293 5.591 ( -3.443 0.557 12.076) 12.570 5.949 ( -9.473 0.133 9.220) 13.220 6.236 ( -4.101 -0.719 2.671) 4.947 6.496 ( -7.406 -2.156 3.163) 8.337 6.674 ( 4.141 -3.671 1.560) 5.749 6.821 ( -4.474 -8.309 8.191) 12.496 6.977 ( 2.763 -10.823 24.183) 26.638 7.684 ( -3.908 -13.585 -2.173) 14.302 9.161 ( -10.062 1.390 13.957) 17.262 9.282 ( -8.544 -7.154 13.708) 17.666 9.620 ( -2.289 -3.271 3.335) 5.203 10.145 ( 5.447 14.143 5.288) 16.051 10.524 ( 0.298 12.694 -3.317) 13.123 11.389 ( -7.594 1.254 -13.623) 15.647 11.692 ( 2.794 5.529 -7.864) 10.011 11.802 ( 14.858 9.999 -10.017) 20.520 13.087 ( -2.431 -4.869 6.899) 8.787 13.331 ( -9.409 6.100 0.995) 11.257 13.625 ( 8.416 9.402 0.475) 12.627 14.005 ( 2.488 -12.129 -10.387) 16.162 18.117 ( 5.743 -2.272 -3.436) 7.067 18.332 ( -4.162 -2.633 -2.528) 5.536 19.283 ( -5.797 -3.679 -5.989) 9.111 19.739 ( 5.592 -1.483 -3.630) 6.830 21.351 ( -11.795 -1.765 4.714) 12.824 22.135 ( 19.223 2.862 -2.092) 19.547 23.529 ( -10.167 5.231 -3.502) 11.959 23.759 ( 3.986 0.700 -2.233) 4.622 ======================= Grid point 457 (230/361) ======================= q-point: (-0.10 0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( -3.061 -3.728 11.827) 12.773 3.028 ( 11.778 1.290 5.429) 13.033 3.064 ( 2.150 0.658 3.115) 3.842 3.260 ( -1.176 -6.895 -5.892) 9.146 3.562 ( 2.740 2.378 -9.766) 10.418 3.877 ( -4.781 -1.934 -4.304) 6.718 4.416 ( 4.880 9.169 -4.035) 11.143 4.808 ( 5.176 8.360 -0.291) 9.837 5.635 ( -10.370 0.993 9.666) 14.211 5.875 ( -12.876 0.288 4.743) 13.725 6.171 ( -6.785 1.568 0.589) 6.989 6.338 ( -11.969 -0.123 -0.856) 12.000 6.754 ( 2.350 -2.392 0.006) 3.353 6.938 ( -0.273 -4.304 6.181) 7.537 7.526 ( 3.938 -11.539 31.051) 33.359 7.729 ( -4.747 -18.183 -4.066) 19.228 9.201 ( -10.034 1.716 14.069) 17.365 9.404 ( -5.417 -7.483 8.376) 12.470 9.477 ( -11.132 9.372 0.133) 14.552 10.166 ( 4.338 5.060 1.338) 6.798 10.538 ( 9.509 4.881 4.211) 11.488 11.046 ( -12.242 -1.782 -12.523) 17.603 11.714 ( 15.244 2.708 -6.744) 16.888 11.876 ( 17.560 6.257 -2.765) 18.845 13.127 ( -4.011 9.314 1.487) 10.249 13.196 ( -8.511 -8.580 5.474) 13.267 13.585 ( 1.045 6.298 -5.172) 8.217 14.072 ( 9.061 -2.379 -5.094) 10.664 18.025 ( -9.490 0.463 -10.300) 14.013 18.338 ( 8.836 -0.005 -0.491) 8.850 19.151 ( -6.153 1.397 -1.043) 6.395 19.756 ( -4.038 1.257 0.813) 4.307 21.219 ( -11.393 -12.767 -7.131) 18.538 22.405 ( 22.066 10.229 6.320) 25.129 23.348 ( -4.026 3.305 -2.919) 5.971 23.819 ( 5.794 -1.150 0.268) 5.913 ======================= Grid point 462 (231/361) ======================= q-point: ( 0.40 -0.60 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -7.673 -0.000 8.706) 11.604 2.850 ( 0.759 0.000 11.460) 11.485 3.052 ( -3.963 -0.000 3.892) 5.555 3.120 ( -8.051 -0.000 -0.191) 8.053 3.406 ( 4.045 0.000 -4.907) 6.359 3.803 ( -2.658 -0.000 7.687) 8.134 4.473 ( 5.934 0.000 -2.442) 6.417 4.484 ( -1.598 -0.000 6.673) 6.861 5.080 ( 1.569 0.000 12.616) 12.713 5.614 ( -8.212 -0.000 12.764) 15.177 5.710 ( -2.685 -0.000 17.537) 17.742 6.214 ( -15.262 -0.000 3.306) 15.616 6.245 ( -2.357 -0.000 7.367) 7.735 6.340 ( -0.231 -0.000 -5.927) 5.932 7.512 ( -5.646 -0.000 -7.793) 9.623 7.512 ( 1.635 0.000 -7.999) 8.165 8.961 ( 1.838 0.000 2.621) 3.201 9.057 ( -9.657 -0.000 16.163) 18.828 9.404 ( -19.097 -0.000 14.461) 23.955 10.023 ( 7.625 0.000 8.373) 11.324 11.612 ( 4.685 0.000 -14.772) 15.497 11.741 ( 4.635 0.000 -13.398) 14.177 12.299 ( 14.068 0.000 -5.997) 15.293 12.300 ( -10.398 -0.000 1.154) 10.462 12.841 ( 12.226 0.000 3.510) 12.720 12.872 ( -11.191 -0.000 8.870) 14.280 13.892 ( 9.162 0.000 -16.135) 18.555 14.065 ( -4.857 -0.000 2.956) 5.686 17.393 ( 5.833 0.000 16.520) 17.520 18.367 ( 4.129 0.000 -25.581) 25.912 19.786 ( -1.300 -0.000 2.684) 2.982 19.906 ( -6.458 -0.000 -14.539) 15.909 20.620 ( 31.442 0.000 3.957) 31.690 22.010 ( -12.093 -0.000 5.133) 13.137 24.146 ( -3.999 -0.000 -3.921) 5.601 24.189 ( -9.651 -0.000 2.986) 10.103 ======================= Grid point 464 (232/361) ======================= q-point: (-0.50 0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -7.704 4.733 7.518) 11.759 2.848 ( -2.817 16.157 6.962) 17.817 3.016 ( -5.350 -3.047 0.343) 6.167 3.172 ( -1.313 -15.719 2.294) 15.939 3.450 ( 6.388 -2.354 -3.270) 7.552 3.913 ( -1.787 0.632 11.929) 12.079 4.477 ( 0.887 4.846 -2.725) 5.630 4.624 ( 12.394 -4.520 0.310) 13.196 5.270 ( -0.413 -2.203 14.866) 15.034 5.656 ( -10.001 -5.186 12.537) 16.855 5.892 ( -5.354 1.812 22.270) 22.976 6.169 ( -2.849 -1.139 8.301) 8.850 6.271 ( -3.114 -2.918 5.813) 7.211 6.385 ( 4.506 -1.115 2.011) 5.059 7.277 ( -7.959 0.956 -9.274) 12.259 7.512 ( 6.361 -2.957 -8.415) 10.955 9.081 ( 2.281 -1.780 8.911) 9.369 9.090 ( -13.342 -1.779 15.610) 20.612 9.326 ( -16.218 0.808 13.968) 21.420 10.216 ( 7.199 2.723 7.341) 10.637 11.381 ( 2.428 12.781 -18.472) 22.594 11.641 ( 5.669 -0.593 -14.139) 15.244 12.138 ( -11.980 0.272 -0.298) 11.987 12.369 ( 8.617 3.067 -10.417) 13.862 12.836 ( -7.185 1.743 10.172) 12.575 13.134 ( 16.262 -3.056 5.577) 17.461 13.810 ( 3.569 0.543 -10.990) 11.567 13.975 ( -10.861 -4.022 -1.676) 11.702 17.734 ( 8.807 -2.946 17.403) 19.725 18.144 ( 4.264 -3.499 -20.152) 20.893 19.575 ( -7.386 4.938 -12.724) 15.519 19.789 ( -3.390 -4.461 -3.160) 6.433 21.137 ( 35.262 3.375 2.879) 35.540 21.912 ( -12.712 -2.869 4.048) 13.646 23.973 ( -5.552 5.515 -4.127) 8.847 24.078 ( -11.910 -3.592 -2.259) 12.643 ======================= Grid point 465 (233/361) ======================= q-point: (-0.40 0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 0.974 5.823 8.037) 9.972 2.768 ( -4.770 9.377 8.687) 13.644 2.993 ( -0.508 -2.514 -0.271) 2.579 3.280 ( -1.456 -7.908 -1.539) 8.186 3.528 ( 7.987 -4.020 -5.191) 10.339 3.965 ( -12.570 -2.907 8.636) 15.525 4.433 ( 9.397 5.834 -4.641) 11.994 4.839 ( 12.639 -2.253 -1.656) 12.945 5.460 ( -1.754 -1.857 14.022) 14.253 5.770 ( -3.551 -9.686 8.912) 13.633 6.093 ( -7.684 0.438 25.490) 26.627 6.302 ( 1.656 -0.769 12.426) 12.560 6.384 ( -0.636 -6.364 8.902) 10.961 6.487 ( 3.136 -1.615 3.964) 5.306 7.028 ( -10.051 0.283 -8.949) 13.460 7.530 ( 6.431 -3.100 -8.032) 10.746 9.091 ( -19.804 -4.280 19.788) 28.321 9.229 ( -8.208 2.731 12.881) 15.517 9.340 ( 1.958 -4.713 8.686) 10.075 10.349 ( 6.350 7.646 5.477) 11.348 11.047 ( -0.801 13.224 -16.056) 20.816 11.563 ( 6.675 -0.610 -13.643) 15.201 11.923 ( -12.383 2.454 -4.145) 13.287 12.241 ( 8.173 12.704 -14.754) 21.116 12.886 ( -5.305 -4.023 8.967) 11.168 13.453 ( 14.000 -0.083 4.829) 14.810 13.705 ( -5.035 3.496 0.744) 6.175 13.827 ( -6.356 -8.425 -9.564) 14.242 18.007 ( 8.786 -0.521 -3.667) 9.535 18.144 ( 3.186 -7.784 8.109) 11.684 19.306 ( -4.845 -1.800 -12.474) 13.503 19.735 ( -0.060 -1.520 -5.235) 5.452 21.526 ( 12.781 10.983 3.423) 17.196 21.855 ( 4.858 -7.719 -1.048) 9.180 23.809 ( -5.438 1.751 -5.215) 7.735 23.878 ( -10.694 1.718 -2.742) 11.173 ======================= Grid point 466 (234/361) ======================= q-point: (-0.30 0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 1.013 6.327 8.579) 10.708 2.812 ( 3.822 0.948 9.324) 10.121 3.035 ( 1.911 -0.661 1.916) 2.785 3.250 ( -0.614 -1.766 -5.867) 6.158 3.596 ( 7.476 -1.955 -7.372) 10.680 3.863 ( -14.224 -6.989 2.150) 15.993 4.508 ( 10.709 4.238 -1.773) 11.653 4.950 ( 8.653 3.052 -4.594) 10.261 5.596 ( -3.573 -0.414 12.390) 12.902 5.881 ( -5.897 -7.562 4.802) 10.725 6.224 ( -7.393 0.459 12.277) 14.339 6.468 ( -4.982 -0.438 8.594) 9.943 6.588 ( 4.782 -7.251 5.036) 10.040 6.653 ( -1.390 -6.732 9.767) 11.944 6.850 ( -2.274 -3.336 8.972) 9.839 7.541 ( 4.507 -3.256 -7.632) 9.443 9.106 ( -20.283 -5.681 20.890) 29.666 9.231 ( -7.992 0.442 11.631) 14.119 9.550 ( 3.648 -3.531 7.774) 9.285 10.379 ( 2.852 10.830 2.230) 11.419 10.739 ( -3.211 8.937 -12.003) 15.305 11.446 ( -3.121 5.073 -9.652) 11.342 11.721 ( 2.044 1.989 -8.006) 8.498 12.073 ( 11.829 14.128 -12.958) 22.526 12.959 ( -5.809 -7.294 6.712) 11.489 13.432 ( -12.406 4.110 2.131) 13.242 13.715 ( -2.958 -7.363 -10.278) 12.985 13.844 ( 15.747 2.302 5.709) 16.908 18.088 ( 6.391 -0.936 -0.212) 6.463 18.291 ( -2.065 -1.839 2.452) 3.696 19.185 ( -1.160 -6.063 -6.474) 8.945 19.712 ( 5.614 -1.414 -5.870) 8.245 21.361 ( -18.312 2.152 -2.043) 18.551 22.186 ( 29.585 2.554 0.052) 29.695 23.606 ( -9.843 3.284 -3.796) 11.049 23.766 ( -1.051 0.092 -1.406) 1.757 ======================= Grid point 467 (235/361) ======================= q-point: (-0.20 -0.60 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -7.505 -0.026 10.256) 12.709 3.049 ( 13.716 0.806 6.086) 15.027 3.082 ( -0.995 -0.551 3.326) 3.515 3.186 ( 2.817 0.695 -6.575) 7.187 3.582 ( 5.600 -0.228 -10.284) 11.712 3.793 ( -8.061 -6.567 1.904) 10.570 4.561 ( 7.571 5.854 -4.319) 10.500 4.936 ( 4.395 5.772 -3.941) 8.256 5.669 ( -6.662 1.392 10.089) 12.170 5.846 ( -11.925 -3.619 2.234) 12.660 6.201 ( -8.217 1.874 3.904) 9.288 6.342 ( -12.936 0.807 -1.008) 13.001 6.704 ( 0.506 -3.828 2.519) 4.610 6.787 ( 0.036 -10.463 7.056) 12.619 7.309 ( 9.871 -11.073 25.710) 29.683 7.528 ( 3.060 -4.129 -7.669) 9.232 9.143 ( -15.523 -6.253 17.082) 23.914 9.295 ( -7.257 -3.872 12.448) 14.920 9.624 ( -5.651 5.538 4.942) 9.329 10.302 ( 0.180 8.539 -1.721) 8.712 10.541 ( -0.823 -2.704 -8.778) 9.222 11.168 ( -8.604 13.483 -3.545) 16.383 11.735 ( 14.610 0.618 -10.416) 17.954 12.044 ( 16.644 10.313 -4.893) 20.182 13.015 ( -9.199 -10.248 6.198) 15.102 13.262 ( -7.946 5.189 2.328) 9.772 13.607 ( -4.016 -4.432 -7.964) 9.960 14.097 ( 16.163 5.159 2.834) 17.202 18.048 ( -8.907 2.046 -7.807) 12.020 18.328 ( 7.482 -1.111 2.337) 7.916 19.168 ( 0.289 0.456 -0.973) 1.113 19.758 ( 3.131 -1.237 -1.720) 3.781 21.044 ( -16.753 -6.178 -8.701) 19.863 22.568 ( 27.253 7.265 3.106) 28.375 23.415 ( -6.555 4.160 -2.489) 8.153 23.788 ( 2.359 -2.351 1.700) 3.740 ======================= Grid point 468 (236/361) ======================= q-point: (-0.10 -0.60 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -12.973 -5.222 10.719) 17.620 3.058 ( -4.785 -0.357 -2.166) 5.264 3.173 ( 2.404 -2.276 -0.513) 3.350 3.297 ( 12.713 1.577 1.329) 12.880 3.521 ( 2.863 1.529 -7.105) 7.811 3.792 ( 0.957 -0.442 0.896) 1.383 4.520 ( 7.774 8.907 -6.955) 13.717 4.906 ( 0.164 2.063 -0.544) 2.140 5.567 ( -14.773 6.936 3.017) 16.597 5.713 ( -12.499 -1.542 2.236) 12.791 6.071 ( -9.992 1.835 0.134) 10.160 6.180 ( -11.733 -0.719 3.381) 12.232 6.756 ( 0.562 -2.395 -0.650) 2.544 6.961 ( 0.012 -8.191 6.767) 10.624 7.521 ( 4.829 -7.295 -9.568) 12.965 7.832 ( 4.862 -9.953 22.348) 24.943 9.162 ( -17.947 -2.138 12.330) 21.880 9.371 ( -2.697 -2.806 4.672) 6.080 9.459 ( -11.214 8.487 7.931) 16.146 10.182 ( -5.717 4.352 -6.450) 9.655 10.550 ( 3.512 -15.886 -5.534) 17.185 10.987 ( 2.055 13.695 5.549) 14.919 11.806 ( 15.529 -0.355 -13.036) 20.278 12.234 ( 19.713 5.801 4.162) 20.966 13.030 ( -10.391 -7.919 5.178) 14.053 13.184 ( -2.977 4.172 4.052) 6.534 13.482 ( -5.071 -1.108 -5.681) 7.695 14.263 ( 14.906 9.032 -1.705) 17.512 17.720 ( -11.780 1.285 -14.853) 19.001 18.521 ( 8.755 0.558 8.464) 12.190 19.151 ( 2.812 5.844 -0.728) 6.526 19.698 ( -10.870 4.420 2.529) 12.004 20.847 ( -3.155 -14.168 -14.403) 20.448 22.888 ( 17.172 10.494 8.511) 21.851 23.286 ( -0.504 0.780 -5.153) 5.236 23.913 ( 5.072 -2.195 6.110) 8.238 ======================= Grid point 474 (237/361) ======================= q-point: (-0.50 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 1.709 -0.000 6.903) 7.111 2.882 ( -7.647 -0.000 0.882) 7.698 2.968 ( -0.898 -0.000 0.312) 0.951 3.178 ( 3.797 -0.000 5.226) 6.459 3.491 ( 7.625 -0.000 -4.139) 8.676 3.934 ( -15.276 -0.000 9.056) 17.759 4.492 ( 9.546 0.000 -7.881) 12.379 4.810 ( 13.681 -0.000 0.518) 13.691 5.437 ( -2.090 -0.000 15.517) 15.657 5.671 ( -4.365 -0.000 10.355) 11.238 6.107 ( -7.946 -0.000 24.648) 25.897 6.296 ( 2.680 -0.000 12.677) 12.958 6.322 ( 0.199 -0.000 7.482) 7.485 6.473 ( 2.311 -0.000 4.057) 4.669 7.030 ( -10.166 -0.000 -9.086) 13.634 7.506 ( 9.708 -0.000 -10.126) 14.028 9.050 ( -22.087 -0.000 22.017) 31.186 9.271 ( 6.699 0.000 10.161) 12.171 9.281 ( -12.926 -0.000 11.202) 17.105 10.417 ( 6.491 -0.000 6.328) 9.065 11.180 ( -1.157 -0.000 -22.914) 22.944 11.555 ( 6.674 -0.000 -12.391) 14.074 11.957 ( -10.376 -0.000 -2.409) 10.652 12.350 ( 6.238 0.000 -13.089) 14.499 12.860 ( -7.001 -0.000 9.191) 11.554 13.424 ( 18.245 0.000 -1.016) 18.273 13.741 ( -18.503 -0.000 1.230) 18.544 13.758 ( 3.666 0.000 -2.965) 4.715 18.013 ( 6.584 -0.000 -9.442) 11.511 18.059 ( 7.682 0.000 15.911) 17.668 19.290 ( -8.534 -0.000 -13.312) 15.813 19.720 ( 1.569 -0.000 -5.229) 5.459 21.699 ( 36.559 -0.000 1.650) 36.596 21.716 ( -16.471 0.000 -0.668) 16.484 23.825 ( -7.973 -0.000 -5.829) 9.877 23.892 ( -9.181 -0.000 -1.672) 9.332 ======================= Grid point 476 (238/361) ======================= q-point: (-0.40 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 5.374 7.034 5.868) 10.620 2.799 ( -2.616 -2.565 5.495) 6.604 3.000 ( 1.930 -2.107 1.094) 3.060 3.257 ( 5.522 1.193 -2.621) 6.228 3.576 ( 8.415 -0.210 -2.312) 8.730 3.752 ( -19.630 -4.009 2.297) 20.167 4.558 ( 10.342 1.263 -4.269) 11.259 4.971 ( 10.162 -0.053 -3.117) 10.630 5.579 ( -3.392 -0.867 12.247) 12.738 5.750 ( -3.686 -4.600 5.772) 8.250 6.246 ( -8.067 1.077 15.827) 17.797 6.435 ( -2.014 -3.262 8.218) 9.068 6.516 ( 1.503 1.447 8.923) 9.164 6.573 ( 1.542 -3.406 7.027) 7.960 6.821 ( -4.925 -0.468 2.604) 5.590 7.519 ( 9.852 -0.149 -10.530) 14.421 9.027 ( -24.593 -2.434 25.519) 35.524 9.241 ( -10.250 0.400 9.999) 14.325 9.504 ( 6.106 -1.325 10.293) 12.041 10.519 ( 1.651 4.088 2.174) 4.916 10.834 ( -6.088 2.094 -20.688) 21.667 11.532 ( 9.508 2.804 -8.752) 13.223 11.781 ( -5.455 3.422 -3.894) 7.525 12.247 ( 9.158 4.263 -15.537) 18.533 12.869 ( -7.652 -1.932 7.135) 10.639 13.480 ( -11.970 1.540 1.103) 12.119 13.539 ( -2.353 -7.171 -8.074) 11.052 13.926 ( 13.626 2.932 8.666) 16.413 18.079 ( 8.090 -0.165 1.936) 8.320 18.267 ( -1.572 -0.706 5.212) 5.490 19.097 ( 0.358 -2.778 -6.576) 7.148 19.692 ( 5.446 -0.584 -7.068) 8.942 21.400 ( -19.803 1.406 -6.743) 20.966 22.220 ( 34.496 1.031 0.698) 34.518 23.648 ( -8.002 1.256 -3.145) 8.689 23.764 ( -5.712 -0.229 -1.041) 5.811 ======================= Grid point 477 (239/361) ======================= q-point: (-0.30 -0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( -12.622 2.422 7.946) 15.110 3.050 ( -1.212 -1.361 1.967) 2.681 3.052 ( 16.969 -0.737 4.901) 17.678 3.263 ( 5.861 5.535 -5.861) 9.967 3.537 ( -3.453 -5.104 -6.463) 8.930 3.697 ( -0.915 -2.279 4.485) 5.113 4.627 ( 7.789 1.768 -4.113) 8.984 5.011 ( 4.820 2.068 -5.908) 7.900 5.660 ( -5.499 -1.903 8.865) 10.605 5.760 ( -8.798 -4.638 2.711) 10.309 6.247 ( -8.486 2.919 6.028) 10.811 6.372 ( -13.311 2.412 -0.681) 13.545 6.567 ( -5.819 -8.637 7.750) 12.981 6.675 ( 6.123 -2.834 1.165) 6.847 7.152 ( 12.239 -5.804 21.725) 25.602 7.517 ( 8.420 1.205 -9.837) 13.005 9.031 ( -22.865 -4.957 23.617) 33.244 9.247 ( -8.932 -1.718 11.854) 14.942 9.688 ( 1.265 1.948 9.033) 9.327 10.426 ( -4.911 3.795 -9.352) 11.224 10.506 ( -6.139 -0.090 -11.224) 12.794 11.451 ( -1.508 15.455 -0.812) 15.550 11.738 ( 11.844 -0.812 -9.011) 14.905 12.201 ( 14.370 5.592 -9.370) 18.044 12.854 ( -10.762 -6.175 6.125) 13.837 13.325 ( -10.414 1.973 4.918) 11.685 13.478 ( -2.623 -7.692 -8.041) 11.432 14.202 ( 15.668 4.946 6.506) 17.671 18.092 ( -9.908 2.351 -8.659) 13.367 18.301 ( 7.495 -1.631 6.526) 10.071 19.171 ( 6.736 -0.001 2.978) 7.365 19.721 ( 7.477 -2.222 -5.263) 9.410 20.984 ( -19.990 -1.095 -12.554) 23.630 22.664 ( 30.761 3.337 -1.126) 30.962 23.501 ( -6.786 5.001 0.998) 8.488 23.732 ( -1.647 -3.681 2.288) 4.637 ======================= Grid point 478 (240/361) ======================= q-point: (-0.20 -0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -16.158 -2.258 11.366) 19.884 2.985 ( -14.173 -5.945 -0.122) 15.369 3.219 ( 6.472 4.497 -2.442) 8.250 3.341 ( 16.223 3.559 2.000) 16.729 3.508 ( 4.138 -2.426 -8.835) 10.053 3.783 ( 2.953 -0.136 6.170) 6.842 4.635 ( 6.433 3.683 -6.237) 9.687 4.941 ( -1.375 1.972 -5.453) 5.959 5.651 ( -12.426 -0.768 0.762) 12.473 5.672 ( -7.653 -0.722 5.341) 9.361 6.111 ( -9.892 1.915 -0.474) 10.086 6.189 ( -12.608 2.796 4.772) 13.768 6.667 ( -4.217 -8.015 5.527) 10.610 6.804 ( 5.864 -6.244 -0.152) 8.567 7.491 ( 8.318 2.226 -9.235) 12.626 7.654 ( 11.685 -8.941 16.660) 22.227 9.048 ( -20.677 -7.168 18.529) 28.675 9.304 ( -7.302 -3.541 11.342) 13.946 9.674 ( -8.793 11.048 6.726) 15.640 10.148 ( -11.424 -7.173 -13.673) 19.207 10.423 ( 5.611 1.463 -3.018) 6.537 11.275 ( -2.904 16.577 3.721) 17.235 11.798 ( 14.337 -0.780 -13.656) 19.815 12.338 ( 18.416 4.792 0.315) 19.032 12.854 ( -11.066 -8.949 8.043) 16.347 13.264 ( -3.630 3.456 4.191) 6.533 13.409 ( -4.483 -6.230 -4.823) 9.064 14.423 ( 15.346 7.622 2.180) 17.272 17.741 ( -12.539 0.942 -16.001) 20.351 18.533 ( 8.522 0.610 10.084) 13.217 19.274 ( 7.370 7.215 1.844) 10.477 19.753 ( -3.650 1.180 0.627) 3.887 20.622 ( -8.316 -9.857 -16.686) 21.089 22.996 ( 23.729 1.299 -4.073) 24.111 23.380 ( -5.650 9.405 3.413) 11.491 23.854 ( 3.603 -4.489 8.863) 10.568 ======================= Grid point 479 (241/361) ======================= q-point: (-0.10 -0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -19.211 -4.923 13.364) 23.915 2.814 ( -16.380 -8.422 -2.907) 18.646 3.253 ( 5.047 3.017 -0.722) 5.925 3.446 ( 2.265 4.191 -0.504) 4.790 3.513 ( 6.481 0.786 -1.606) 6.723 3.914 ( 7.144 3.101 3.263) 8.444 4.615 ( 8.603 4.787 -7.260) 12.233 4.812 ( -8.914 -1.554 -2.459) 9.377 5.458 ( -11.140 6.284 0.674) 12.808 5.600 ( -7.192 2.262 1.632) 7.714 5.950 ( -10.075 4.042 0.271) 10.859 6.072 ( -10.370 -0.814 5.213) 11.635 6.693 ( -3.123 -3.985 -1.661) 5.328 6.971 ( 2.785 -9.013 4.819) 10.593 7.486 ( 10.440 0.775 -9.944) 14.439 8.009 ( 2.784 -7.587 9.031) 12.119 8.994 ( -21.850 -4.381 11.270) 24.972 9.377 ( -3.040 -2.806 6.317) 7.552 9.503 ( -10.515 10.887 9.583) 17.914 9.936 ( -7.952 -7.760 -8.123) 13.763 10.505 ( 6.298 -3.141 -1.306) 7.158 11.207 ( 1.408 8.231 6.397) 10.519 11.825 ( 13.346 -1.901 -14.956) 20.134 12.580 ( 15.831 3.094 1.904) 16.243 12.891 ( -10.304 -8.359 8.414) 15.711 13.252 ( -0.046 4.239 3.787) 5.685 13.354 ( -3.042 -2.565 -0.758) 4.050 14.541 ( 14.606 11.688 -3.479) 19.028 17.381 ( -11.143 -0.325 -12.039) 16.408 18.776 ( 9.728 0.419 8.780) 13.111 19.281 ( 4.017 11.198 -1.756) 12.025 19.589 ( -12.197 4.155 1.371) 12.958 20.545 ( 4.947 -14.831 -13.821) 20.867 23.220 ( 1.506 0.246 -6.835) 7.004 23.246 ( 8.003 8.534 5.137) 12.778 24.109 ( 7.503 -0.852 13.521) 15.486 ======================= Grid point 486 (242/361) ======================= q-point: (-0.40 -0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -15.980 -0.000 6.804) 17.368 3.034 ( 12.894 0.000 0.320) 12.898 3.044 ( 4.894 0.000 5.682) 7.499 3.332 ( 13.879 0.000 -9.449) 16.790 3.462 ( -15.531 -0.000 0.810) 15.552 3.688 ( 4.319 0.000 3.195) 5.373 4.640 ( 7.667 0.000 -3.746) 8.533 5.022 ( 4.568 0.000 -5.741) 7.337 5.638 ( -5.556 -0.000 7.677) 9.477 5.711 ( -6.963 -0.000 3.365) 7.733 6.280 ( -7.559 -0.000 4.713) 8.907 6.417 ( -13.440 -0.000 -0.155) 13.441 6.464 ( -5.474 -0.000 8.027) 9.716 6.648 ( 5.361 0.000 1.905) 5.690 7.100 ( 12.522 0.000 19.807) 23.434 7.533 ( 10.564 0.000 -10.721) 15.052 8.984 ( -25.698 -0.000 26.369) 36.820 9.231 ( -9.876 -0.000 11.658) 15.279 9.704 ( 3.539 0.000 10.381) 10.967 10.447 ( -11.476 -0.000 -20.497) 23.491 10.521 ( -1.885 -0.000 -2.798) 3.374 11.656 ( 16.859 0.000 -8.169) 18.734 11.687 ( -6.013 -0.000 -0.645) 6.047 12.241 ( 12.931 0.000 -11.085) 17.032 12.805 ( -10.538 -0.000 5.625) 11.946 13.342 ( -11.333 -0.000 6.118) 12.879 13.394 ( -1.777 -0.000 -7.504) 7.712 14.250 ( 14.954 0.000 7.341) 16.658 18.117 ( -11.501 -0.000 -10.881) 15.833 18.282 ( 8.646 0.000 9.821) 13.084 19.171 ( 9.653 0.000 5.512) 11.116 19.697 ( 8.308 0.000 -7.187) 10.985 20.978 ( -20.644 -0.000 -14.448) 25.197 22.694 ( 31.725 0.000 -3.249) 31.891 23.566 ( -4.713 -0.000 4.475) 6.499 23.681 ( -5.000 -0.000 0.996) 5.098 ======================= Grid point 487 (243/361) ======================= q-point: (-0.30 -0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -17.402 0.113 11.211) 20.701 2.886 ( -20.757 -3.741 -1.268) 21.129 3.278 ( 10.664 1.830 -0.310) 10.824 3.391 ( 13.361 0.172 -8.543) 15.859 3.489 ( 9.602 1.275 2.646) 10.041 3.782 ( 2.695 -0.120 5.866) 6.457 4.677 ( 6.016 1.333 -5.245) 8.092 4.957 ( -2.381 -0.230 -7.067) 7.461 5.614 ( -9.015 -0.784 4.447) 10.083 5.652 ( -6.891 -1.920 2.704) 7.648 6.128 ( -11.355 0.346 -1.520) 11.461 6.277 ( -9.908 4.827 4.310) 11.834 6.521 ( -4.936 -6.032 8.087) 11.231 6.737 ( 6.659 -1.757 -2.818) 7.441 7.529 ( 14.157 -2.641 10.973) 18.105 7.544 ( 10.407 0.902 -7.067) 12.613 8.950 ( -24.378 -2.974 22.393) 33.235 9.256 ( -10.154 -1.475 13.786) 17.185 9.817 ( -4.031 4.302 9.120) 10.859 10.040 ( -13.166 -3.462 -16.886) 21.690 10.471 ( 4.492 2.016 -4.113) 6.416 11.539 ( -7.221 10.401 2.191) 12.850 11.767 ( 13.726 -2.541 -13.415) 19.360 12.377 ( 16.947 -0.295 -2.072) 17.076 12.760 ( -8.792 -1.262 9.376) 12.915 13.293 ( -4.254 -3.544 -3.053) 6.323 13.308 ( -4.539 0.146 4.324) 6.271 14.520 ( 14.783 2.796 3.936) 15.551 17.753 ( -12.977 0.329 -16.812) 21.241 18.541 ( 8.511 0.272 11.253) 14.112 19.390 ( 9.651 4.337 7.338) 12.876 19.743 ( 4.397 -1.399 -2.873) 5.435 20.503 ( -14.411 -3.146 -20.348) 25.132 22.990 ( 22.145 -0.693 -11.151) 24.804 23.571 ( -2.904 10.161 7.625) 13.031 23.746 ( 2.496 -7.293 11.522) 13.863 ======================= Grid point 488 (244/361) ======================= q-point: (-0.20 -0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -20.318 -0.769 13.156) 24.218 2.631 ( -20.914 -10.375 0.348) 23.348 3.296 ( -0.658 1.667 -5.237) 5.535 3.471 ( 5.277 -1.358 1.226) 5.585 3.620 ( 10.816 9.700 0.828) 14.552 3.940 ( 7.042 -0.668 5.212) 8.787 4.665 ( 4.752 2.034 -5.518) 7.561 4.806 ( -5.830 -0.451 -6.432) 8.692 5.520 ( -9.441 1.686 2.525) 9.917 5.615 ( -3.361 -0.537 0.540) 3.446 5.997 ( -10.105 -0.013 5.462) 11.486 6.115 ( -9.429 5.427 -0.530) 10.892 6.597 ( -4.219 -5.858 3.302) 7.939 6.827 ( 7.567 -5.615 -1.942) 9.621 7.541 ( 9.930 3.914 -8.251) 13.491 7.875 ( 9.602 -6.329 4.704) 12.425 8.884 ( -24.032 -5.574 14.985) 28.864 9.310 ( -8.431 -3.542 12.304) 15.330 9.699 ( -10.218 2.791 -0.820) 10.624 9.799 ( -8.726 0.631 -1.062) 8.813 10.523 ( 9.484 2.076 -2.282) 9.973 11.379 ( -7.421 9.040 4.672) 12.595 11.789 ( 12.538 -2.062 -15.133) 19.760 12.611 ( 15.005 -0.746 -0.664) 15.039 12.795 ( -7.740 -0.335 12.099) 14.367 13.259 ( -3.507 -6.564 -0.239) 7.446 13.316 ( -0.399 2.136 3.912) 4.475 14.710 ( 14.917 6.408 -1.040) 16.269 17.376 ( -11.466 -0.176 -13.272) 17.539 18.784 ( 9.674 0.410 7.063) 11.985 19.501 ( 5.303 12.021 2.009) 13.292 19.650 ( -13.142 2.355 -0.205) 13.353 20.279 ( 6.544 -13.492 -16.030) 21.951 23.114 ( 14.282 -4.570 -11.909) 19.149 23.506 ( -4.684 11.984 7.017) 14.655 24.076 ( 9.557 -2.517 16.374) 19.126 ======================= Grid point 489 (245/361) ======================= q-point: (-0.10 -0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -23.427 -7.121 11.608) 27.098 2.441 ( -21.552 -7.524 -0.825) 22.843 3.217 ( -6.505 -5.033 3.125) 8.798 3.585 ( 4.681 1.579 4.934) 6.983 3.634 ( 6.590 11.505 -1.798) 13.380 4.039 ( -1.975 3.098 4.085) 5.494 4.635 ( -1.585 1.160 -1.664) 2.574 4.704 ( 3.620 1.618 -4.530) 6.020 5.407 ( -4.685 5.022 2.154) 7.198 5.560 ( -1.383 2.372 -3.731) 4.632 5.866 ( -9.055 6.967 -2.295) 11.653 6.010 ( -7.674 -1.683 9.386) 12.240 6.569 ( -4.008 -3.331 -3.957) 6.544 7.005 ( 4.178 -7.124 4.390) 9.352 7.561 ( 12.484 3.967 -7.737) 15.214 7.999 ( -1.613 -4.462 -1.674) 5.032 8.752 ( -23.176 -7.066 9.978) 26.203 9.385 ( -4.626 -3.085 8.114) 9.837 9.580 ( -7.547 6.860 7.956) 12.935 9.716 ( -1.465 -8.474 -2.372) 8.921 10.585 ( 4.901 5.324 -0.999) 7.305 11.309 ( -3.323 1.563 4.760) 6.012 11.795 ( 11.902 -1.841 -14.495) 18.845 12.723 ( 1.883 -1.214 -3.657) 4.289 12.825 ( -6.961 0.113 9.546) 11.815 13.274 ( 0.858 -0.235 -2.694) 2.837 13.392 ( 3.313 -3.460 5.902) 7.601 14.792 ( 14.718 11.180 -6.657) 19.645 17.165 ( -5.853 -0.463 0.726) 5.916 18.944 ( 6.932 -1.672 -6.591) 9.710 19.305 ( -9.108 6.298 3.710) 11.678 19.603 ( 6.554 7.376 -0.459) 9.878 20.376 ( 6.494 -12.228 -7.576) 15.783 23.176 ( 5.425 0.388 -7.824) 9.529 23.417 ( -1.546 8.160 4.459) 9.427 24.409 ( 8.150 0.727 13.830) 16.069 ======================= Grid point 497 (246/361) ======================= q-point: (-0.30 -0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -17.304 -0.000 14.573) 22.623 2.499 ( -26.278 -0.000 -0.484) 26.282 3.313 ( -3.760 -0.000 -8.159) 8.984 3.453 ( 8.533 0.000 3.071) 9.069 3.743 ( 13.150 0.000 1.241) 13.208 3.910 ( 5.257 0.000 6.314) 8.216 4.696 ( 6.520 0.000 -6.828) 9.441 4.788 ( -8.254 -0.000 -5.064) 9.684 5.537 ( -8.357 -0.000 3.260) 8.970 5.604 ( -1.350 -0.000 0.392) 1.406 5.991 ( -10.878 -0.000 6.224) 12.533 6.181 ( -8.457 -0.000 -3.356) 9.098 6.530 ( -4.129 -0.000 6.791) 7.948 6.776 ( 8.288 0.000 -4.850) 9.603 7.584 ( 9.762 0.000 -7.520) 12.323 7.811 ( 11.873 0.000 2.926) 12.229 8.829 ( -24.944 -0.000 15.735) 29.492 9.273 ( -11.113 -0.000 13.984) 17.862 9.670 ( -10.290 -0.000 -9.575) 14.056 9.866 ( -7.975 -0.000 8.129) 11.388 10.544 ( 10.508 0.000 -3.469) 11.066 11.475 ( -12.563 -0.000 4.500) 13.345 11.762 ( 13.303 0.000 -15.361) 20.321 12.590 ( 13.847 0.000 -0.382) 13.853 12.824 ( -3.755 -0.000 12.941) 13.475 13.174 ( -5.099 -0.000 -0.256) 5.105 13.337 ( -0.378 -0.000 3.574) 3.594 14.769 ( 14.984 0.000 -0.199) 14.986 17.374 ( -11.587 -0.000 -13.717) 17.956 18.788 ( 9.595 0.000 6.437) 11.554 19.643 ( 7.304 0.000 8.348) 11.093 19.671 ( -15.267 -0.000 -1.118) 15.308 20.125 ( 7.506 0.000 -21.754) 23.013 23.071 ( 14.476 0.000 -12.910) 19.396 23.628 ( -5.936 -0.000 6.279) 8.641 24.043 ( 11.589 0.000 18.176) 21.556 ======================= Grid point 498 (247/361) ======================= q-point: (-0.20 -0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -25.439 -4.261 4.820) 26.239 2.338 ( -22.065 -2.973 7.101) 23.369 3.155 ( -11.234 -1.639 4.197) 12.104 3.597 ( 5.874 0.205 2.953) 6.578 3.828 ( 6.038 7.570 -1.901) 9.868 4.057 ( -1.308 -0.778 7.518) 7.670 4.662 ( -0.469 1.621 0.154) 1.694 4.710 ( 4.668 -0.858 -5.823) 7.512 5.472 ( -2.756 1.992 1.343) 3.656 5.579 ( 0.071 0.284 -4.437) 4.447 5.965 ( -9.908 2.482 -6.882) 12.316 5.992 ( -6.465 0.181 12.702) 14.254 6.518 ( -3.652 -1.792 -1.718) 4.416 6.897 ( 9.371 -3.567 1.057) 10.082 7.637 ( 10.978 3.044 -4.937) 12.416 7.925 ( 3.935 -2.857 -4.582) 6.681 8.638 ( -25.069 -3.958 9.074) 26.953 9.302 ( -8.336 -3.728 11.719) 14.857 9.532 ( -4.184 -2.987 -0.111) 5.142 9.802 ( -8.433 6.092 5.482) 11.759 10.655 ( 10.486 1.735 -2.687) 10.963 11.351 ( -11.348 1.781 5.326) 12.661 11.773 ( 12.859 -0.630 -13.061) 18.340 12.709 ( 3.990 0.399 -2.566) 4.761 12.877 ( -4.948 3.996 6.773) 9.291 13.171 ( -2.424 -7.502 2.257) 8.200 13.379 ( 2.319 0.605 1.494) 2.824 14.932 ( 15.417 3.927 -5.813) 16.938 17.159 ( -5.239 -0.185 1.529) 5.460 18.920 ( 6.990 -0.726 -9.924) 12.160 19.380 ( -15.083 1.905 3.573) 15.617 19.767 ( 5.826 8.736 3.321) 11.013 20.158 ( 11.604 -9.884 -9.765) 18.103 23.128 ( 13.401 -2.225 -10.807) 17.358 23.593 ( -7.561 6.540 8.050) 12.835 24.408 ( 10.150 -0.409 12.902) 16.421 ======================= Grid point 499 (248/361) ======================= q-point: (-0.10 -0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -23.331 -8.793 5.914) 25.625 2.023 ( -28.372 -6.639 3.707) 29.373 3.197 ( -6.686 -3.734 16.970) 18.618 3.653 ( -0.816 2.226 0.137) 2.375 3.809 ( 6.595 6.355 -2.136) 9.404 4.017 ( -14.050 3.349 7.103) 16.096 4.613 ( -3.439 5.656 -3.125) 7.319 4.822 ( 12.244 0.815 5.358) 13.389 5.431 ( -4.038 1.653 -10.150) 11.048 5.478 ( 3.681 2.052 -2.858) 5.092 5.771 ( -5.491 2.167 0.935) 5.977 6.085 ( -3.555 2.097 13.784) 14.389 6.447 ( -1.161 -1.265 -4.770) 5.070 7.053 ( 2.416 -2.421 1.891) 3.908 7.711 ( 11.934 6.112 -5.872) 14.637 7.896 ( -1.177 -2.411 -3.261) 4.223 8.472 ( -23.513 -10.311 12.169) 28.412 9.406 ( -2.902 -3.303 8.912) 9.938 9.541 ( -1.448 -6.613 -0.352) 6.779 9.708 ( -3.738 3.631 5.022) 7.238 10.692 ( 2.828 8.833 -2.367) 9.572 11.258 ( -8.213 -3.633 1.431) 9.094 11.802 ( 11.985 1.552 -10.390) 15.937 12.623 ( -8.452 1.479 -1.790) 8.765 12.835 ( -4.466 -0.817 1.389) 4.748 13.208 ( -0.375 -4.883 -5.204) 7.146 13.447 ( 2.849 -3.871 1.767) 5.122 14.980 ( 14.333 8.286 -11.619) 20.226 17.304 ( 7.165 3.140 19.789) 21.279 18.740 ( -2.420 -4.535 -18.679) 19.373 19.414 ( 4.070 2.280 9.138) 10.260 19.767 ( 6.805 8.631 -2.706) 11.319 20.276 ( 3.324 -10.067 -4.884) 11.672 23.198 ( 9.263 2.256 -7.142) 11.913 23.497 ( -6.636 8.787 6.050) 12.564 24.618 ( 2.659 -0.682 4.065) 4.905 ======================= Grid point 508 (249/361) ======================= q-point: (-0.20 -0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -22.496 -0.000 9.700) 24.498 1.969 ( -31.519 -0.000 -0.942) 31.533 3.165 ( -8.060 -0.000 19.892) 21.463 3.670 ( 0.593 0.000 -0.038) 0.594 3.876 ( 4.547 0.000 -4.751) 6.576 4.048 ( -14.904 -0.000 9.183) 17.506 4.672 ( -1.829 -0.000 -2.946) 3.468 4.825 ( 13.672 0.000 7.384) 15.538 5.436 ( -4.906 -0.000 -15.122) 15.898 5.503 ( 5.040 0.000 -2.018) 5.429 5.790 ( -6.204 -0.000 -0.052) 6.204 6.112 ( -3.228 -0.000 16.000) 16.322 6.434 ( -0.265 -0.000 -4.671) 4.679 7.026 ( 7.898 0.000 0.260) 7.902 7.801 ( 12.686 0.000 2.268) 12.887 7.845 ( 0.986 0.000 -11.577) 11.619 8.364 ( -27.377 -0.000 12.063) 29.917 9.337 ( -1.535 -0.000 8.182) 8.325 9.498 ( -3.858 -0.000 4.369) 5.829 9.767 ( -7.215 -0.000 2.907) 7.778 10.767 ( 9.390 0.000 -4.024) 10.216 11.232 ( -14.860 -0.000 3.135) 15.187 11.824 ( 13.284 0.000 -8.866) 15.971 12.688 ( -2.076 -0.000 -4.248) 4.728 12.791 ( -10.612 -0.000 -4.503) 11.528 13.124 ( -3.022 -0.000 2.810) 4.126 13.425 ( 3.273 0.000 -0.785) 3.366 15.056 ( 14.713 0.000 -12.088) 19.042 17.335 ( 9.565 0.000 22.090) 24.072 18.694 ( -3.892 -0.000 -20.570) 20.935 19.433 ( 4.318 0.000 10.031) 10.921 19.893 ( -0.025 -0.000 1.913) 1.913 20.140 ( 8.838 0.000 -9.513) 12.985 23.195 ( 14.745 0.000 -9.077) 17.315 23.615 ( -9.556 -0.000 9.697) 13.615 24.604 ( 3.375 0.000 1.094) 3.548 ======================= Grid point 509 (250/361) ======================= q-point: (-0.10 -0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -24.955 -4.157 9.025) 26.861 1.794 ( -17.179 -7.192 16.194) 24.680 3.354 ( -4.852 -0.384 21.906) 22.440 3.611 ( -5.326 1.233 -1.855) 5.773 3.868 ( -6.290 3.352 -0.090) 7.128 3.902 ( -5.735 -0.328 0.202) 5.748 4.575 ( -5.580 5.591 0.015) 7.899 5.014 ( 0.167 -0.615 -10.413) 10.432 5.299 ( 9.111 0.179 7.658) 11.904 5.525 ( 3.502 0.419 -4.316) 5.574 5.784 ( 0.654 -0.157 3.901) 3.958 6.269 ( -2.075 4.223 16.838) 17.484 6.427 ( 5.489 -0.665 -1.732) 5.794 7.065 ( 0.446 2.985 -3.665) 4.748 7.631 ( -3.699 -0.137 -17.893) 18.271 8.032 ( 7.223 5.532 9.750) 13.335 8.261 ( -19.084 -11.505 21.573) 31.015 9.406 ( 0.363 -5.924 -3.125) 6.707 9.536 ( -2.346 4.433 10.003) 11.190 9.730 ( -1.103 -3.495 3.705) 5.212 10.742 ( -4.602 14.020 -5.235) 15.657 11.035 ( -11.149 -11.497 -3.698) 16.437 11.890 ( 10.659 3.215 -7.037) 13.171 12.500 ( -9.160 5.716 -1.429) 10.891 12.677 ( -6.544 -10.769 -2.850) 12.920 13.117 ( -1.949 -1.456 -0.282) 2.449 13.462 ( 2.675 -1.840 -1.307) 3.500 15.039 ( 11.767 4.013 -17.908) 21.801 17.880 ( 22.401 8.280 25.769) 35.134 18.446 ( 1.261 -7.405 -16.015) 17.689 19.626 ( 4.018 7.489 6.905) 10.951 19.854 ( 4.349 -0.480 -3.020) 5.316 20.147 ( 2.293 -6.719 -8.511) 11.083 23.295 ( 12.428 2.866 -6.503) 14.316 23.546 ( -9.792 8.503 7.639) 15.051 24.505 ( -10.999 -4.542 -10.442) 15.831 ======================= Grid point 519 (251/361) ======================= q-point: (-0.10 -0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -3.392 -0.000 23.632) 23.874 1.803 ( -10.930 -0.000 22.389) 24.914 3.493 ( -6.748 -0.000 -3.736) 7.713 3.528 ( -15.749 -0.000 25.412) 29.896 3.737 ( -4.129 -0.000 0.634) 4.177 3.886 ( 7.732 0.000 -10.577) 13.101 4.557 ( -4.653 -0.000 3.470) 5.804 4.790 ( -0.992 -0.000 -14.412) 14.446 5.476 ( -0.794 -0.000 -4.611) 4.679 5.626 ( 1.189 0.000 18.393) 18.432 5.902 ( 12.156 0.000 3.169) 12.562 6.499 ( -3.804 -0.000 21.133) 21.472 6.518 ( 9.971 0.000 -1.026) 10.024 7.017 ( -0.881 -0.000 -7.645) 7.696 7.297 ( -9.577 -0.000 -14.290) 17.203 8.195 ( -20.855 -0.000 28.070) 34.970 8.389 ( 10.776 0.000 13.388) 17.186 9.298 ( -2.800 -0.000 -5.356) 6.044 9.699 ( 0.431 0.000 -0.218) 0.483 9.747 ( 2.684 0.000 12.517) 12.802 10.555 ( -24.784 -0.000 -2.428) 24.903 10.829 ( 5.482 0.000 -8.035) 9.727 11.906 ( 2.811 0.000 -10.265) 10.643 12.423 ( -4.846 -0.000 -3.861) 6.196 12.544 ( -4.481 -0.000 8.857) 9.926 13.100 ( 0.850 0.000 -0.564) 1.020 13.460 ( 1.696 0.000 -2.467) 2.993 14.945 ( 7.881 0.000 -21.848) 23.226 18.225 ( 3.417 0.000 -14.328) 14.730 18.639 ( 31.743 0.000 18.607) 36.794 19.668 ( -8.233 -0.000 -11.207) 13.906 19.816 ( -8.216 -0.000 6.547) 10.505 20.161 ( 21.622 0.000 -5.399) 22.286 23.417 ( 12.813 0.000 -6.502) 14.369 23.546 ( -11.374 -0.000 8.207) 14.026 23.993 ( -28.578 -0.000 -17.383) 33.449 ======================= Grid point 520 (252/361) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 4.058 0.000 12.506) 13.148 2.837 ( 1.034 0.000 23.118) 23.141 3.080 ( -2.145 -0.000 -5.528) 5.929 3.496 ( 2.540 0.000 -9.747) 10.072 3.632 ( -3.483 -0.000 -11.619) 12.130 3.824 ( 0.689 0.000 -4.251) 4.307 4.334 ( 6.596 0.000 -1.458) 6.755 4.401 ( -7.276 -0.000 -3.771) 8.195 5.721 ( 2.074 0.000 11.569) 11.754 6.142 ( -10.544 -0.000 14.378) 17.829 6.208 ( 2.184 0.000 -3.617) 4.225 6.613 ( -7.461 -0.000 -2.175) 7.772 6.753 ( 7.993 0.000 -1.542) 8.140 6.949 ( -0.351 -0.000 -4.342) 4.356 7.608 ( 1.608 0.000 31.634) 31.674 8.915 ( -6.296 -0.000 -5.551) 8.394 9.042 ( -15.022 -0.000 24.614) 28.836 9.266 ( 3.528 0.000 4.553) 5.760 9.524 ( 3.497 0.000 -5.217) 6.280 10.028 ( -11.798 -0.000 20.809) 23.921 10.356 ( 3.701 0.000 -17.461) 17.849 10.940 ( 13.186 0.000 16.788) 21.347 11.234 ( 3.240 0.000 -16.743) 17.053 11.950 ( -9.210 -0.000 -12.157) 15.252 12.911 ( -4.386 -0.000 5.023) 6.668 13.130 ( 11.570 0.000 -5.538) 12.827 13.464 ( -2.070 -0.000 6.285) 6.617 14.201 ( 2.725 0.000 -14.519) 14.772 17.998 ( 11.758 0.000 -4.543) 12.605 18.500 ( -14.188 -0.000 -18.811) 23.562 19.522 ( -16.562 -0.000 4.691) 17.214 19.651 ( 13.579 0.000 0.692) 13.596 21.272 ( 30.116 0.000 14.490) 33.421 22.345 ( -31.551 -0.000 -15.696) 35.240 23.440 ( -10.442 -0.000 1.796) 10.596 23.548 ( 12.043 0.000 -3.673) 12.591 ======================= Grid point 521 (253/361) ======================= q-point: ( 0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 7.076 0.501 10.113) 12.353 2.952 ( 0.946 0.058 -5.956) 6.031 3.154 ( 1.149 3.284 16.371) 16.737 3.417 ( 0.068 3.739 -4.365) 5.747 3.445 ( -2.266 -1.425 -7.462) 7.928 3.738 ( -0.047 -3.094 -11.184) 11.604 4.262 ( -5.761 -2.085 -2.483) 6.610 4.479 ( 8.118 -5.836 0.532) 10.012 5.850 ( -3.097 1.400 9.414) 10.009 6.067 ( -11.242 -0.097 -0.024) 11.242 6.216 ( -5.355 -0.761 6.167) 8.203 6.487 ( -9.475 -0.640 0.961) 9.546 6.805 ( 4.160 4.100 -2.350) 6.295 6.901 ( 0.563 -3.326 -2.608) 4.264 8.012 ( 2.512 6.541 31.146) 31.924 8.501 ( -13.733 21.120 -10.357) 27.238 9.168 ( -17.425 -18.066 11.411) 27.572 9.405 ( 1.657 -0.567 9.778) 9.934 9.532 ( 2.340 -1.623 -3.286) 4.348 10.152 ( 2.455 5.028 -4.793) 7.368 10.289 ( 2.784 -6.455 12.714) 14.528 11.084 ( 4.574 1.047 -16.166) 16.833 11.385 ( 17.213 -2.340 15.269) 23.128 11.695 ( 2.205 4.580 -14.261) 15.140 12.906 ( -5.401 -6.973 0.768) 8.854 13.234 ( 9.481 -4.490 -5.344) 11.773 13.510 ( -4.610 2.163 9.315) 10.616 14.049 ( 1.906 2.452 -12.911) 13.279 18.085 ( -11.310 0.623 -13.683) 17.763 18.158 ( 10.904 -1.402 -0.024) 10.994 19.347 ( -15.628 1.123 4.561) 16.319 19.773 ( 3.533 0.721 0.333) 3.621 21.689 ( -18.974 8.105 -12.053) 23.895 21.921 ( 22.369 -6.268 11.597) 25.965 23.335 ( -7.353 -1.756 0.067) 7.560 23.681 ( 11.256 -0.574 -1.889) 11.428 ======================= Grid point 522 (254/361) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( -0.961 0.475 -2.316) 2.552 2.954 ( 5.781 -0.012 1.657) 6.014 3.220 ( 1.968 4.525 2.440) 5.505 3.302 ( -2.000 1.707 -4.402) 5.127 3.499 ( 1.458 2.976 8.473) 9.098 3.644 ( 1.376 -6.328 -9.593) 11.574 4.219 ( -1.269 -5.186 -1.309) 5.497 4.670 ( 7.140 -8.770 1.141) 11.367 5.796 ( -15.378 2.651 3.660) 16.028 5.884 ( -10.818 -0.876 -1.781) 10.999 6.183 ( -9.753 -0.704 4.261) 10.666 6.380 ( -10.790 -0.486 4.104) 11.554 6.777 ( 3.318 4.098 -2.593) 5.876 6.956 ( 4.358 -4.104 -1.636) 6.206 7.987 ( -11.352 19.101 -11.580) 25.057 8.298 ( 1.123 12.421 23.257) 26.390 9.164 ( -16.694 -13.923 5.053) 22.317 9.515 ( -2.955 -3.333 1.204) 4.614 9.552 ( -1.420 1.415 10.150) 10.347 10.036 ( -3.471 -6.177 -10.958) 13.049 10.648 ( 9.967 -2.292 17.255) 20.059 10.944 ( 6.045 7.682 -10.562) 14.391 11.538 ( 13.878 6.787 -15.254) 21.710 11.886 ( 20.245 -2.204 11.880) 23.577 12.913 ( -3.971 -10.573 -1.380) 11.378 13.327 ( 2.904 -8.431 -4.968) 10.207 13.512 ( -7.963 5.121 10.518) 14.151 13.920 ( 5.402 0.082 -11.710) 12.897 17.758 ( -12.019 -1.026 -10.652) 16.092 18.406 ( 12.742 -1.110 8.480) 15.346 19.174 ( -11.935 1.707 1.692) 12.174 19.764 ( -6.781 -1.479 2.144) 7.264 21.163 ( -12.693 7.270 -18.481) 23.569 22.498 ( 20.310 -4.519 17.016) 26.879 23.263 ( -2.312 -0.175 -1.992) 3.057 23.834 ( 10.184 -1.254 0.924) 10.302 ======================= Grid point 523 (255/361) ======================= q-point: (-0.70 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( -3.074 -6.921 -5.195) 9.183 2.944 ( -6.614 5.061 3.410) 8.999 3.189 ( -3.029 0.508 -6.034) 6.771 3.338 ( 8.132 0.035 4.144) 9.127 3.538 ( 2.114 1.142 0.965) 2.589 3.692 ( 4.083 -1.696 1.543) 4.683 4.285 ( 5.806 -4.655 -1.313) 7.556 4.843 ( 3.495 -8.168 0.762) 8.917 5.523 ( -19.878 1.042 -0.284) 19.907 5.716 ( -13.862 -2.675 -0.669) 14.134 6.062 ( -11.617 0.625 1.228) 11.698 6.295 ( -10.225 0.455 6.098) 11.914 6.756 ( 2.965 3.861 -3.145) 5.796 7.035 ( 4.347 -3.908 -1.974) 6.170 7.587 ( -3.349 14.956 -9.419) 17.989 8.384 ( -1.309 14.614 10.360) 17.961 9.104 ( -15.194 -11.341 3.785) 19.334 9.521 ( -3.493 -6.225 1.621) 7.320 9.616 ( -6.184 5.228 12.250) 14.685 9.899 ( -9.840 -11.925 -7.440) 17.158 10.803 ( 9.030 18.207 -3.795) 20.674 11.047 ( 10.250 -0.880 12.925) 16.520 11.517 ( 18.824 3.366 -18.613) 26.686 12.300 ( 17.672 -0.694 6.576) 18.869 12.966 ( 0.724 -8.957 -0.441) 8.997 13.317 ( -3.227 -6.377 -5.697) 9.140 13.460 ( -10.575 6.751 11.736) 17.180 13.960 ( 10.660 -10.642 -8.470) 17.281 17.491 ( -11.621 0.513 -5.338) 12.798 18.724 ( 11.427 0.509 12.579) 17.002 19.041 ( -4.893 -1.903 -3.069) 6.081 19.676 ( -13.853 -4.480 3.224) 14.912 20.763 ( -1.612 9.008 -16.837) 19.163 22.930 ( 1.484 -10.480 12.071) 16.054 23.241 ( 11.161 8.748 -2.747) 14.444 24.034 ( 9.606 -3.381 6.185) 11.915 ======================= Grid point 524 (256/361) ======================= q-point: (-0.60 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -9.116 -5.888 -9.186) 14.218 2.832 ( -14.974 5.275 11.154) 19.403 3.131 ( 4.820 -5.921 -5.143) 9.206 3.451 ( 1.744 0.965 1.982) 2.811 3.606 ( 2.963 3.302 6.996) 8.284 3.803 ( 6.769 -5.891 -1.479) 9.095 4.408 ( 9.839 -2.015 -2.513) 10.352 4.874 ( -7.304 0.522 0.616) 7.348 5.307 ( -12.241 -8.160 0.671) 14.727 5.545 ( -12.327 -4.059 -0.695) 12.996 5.899 ( -10.085 1.148 0.047) 10.150 6.233 ( -8.693 1.138 6.722) 11.048 6.686 ( -1.190 4.769 -4.400) 6.597 7.091 ( 2.223 -3.552 -2.202) 4.734 7.400 ( 6.739 9.704 -6.687) 13.575 8.270 ( -5.233 12.317 0.201) 13.384 9.040 ( -14.350 -8.994 4.428) 17.505 9.567 ( -6.997 -2.849 7.822) 10.875 9.594 ( -7.290 -2.350 6.341) 9.944 9.828 ( -4.437 -5.538 -0.937) 7.158 10.695 ( 5.697 19.585 -1.684) 20.466 11.317 ( 7.182 1.804 9.575) 12.104 11.519 ( 18.369 2.647 -19.717) 27.078 12.536 ( 9.548 -2.925 -1.092) 10.046 13.022 ( -0.981 -2.513 -2.274) 3.528 13.268 ( -2.941 -1.741 -2.588) 4.287 13.451 ( -2.757 2.616 13.246) 13.780 14.152 ( 10.756 -16.610 -6.757) 20.911 17.309 ( -9.406 1.324 3.006) 9.963 18.875 ( 2.451 2.573 -6.678) 7.565 19.100 ( 7.031 -4.863 6.574) 10.784 19.557 ( -11.254 -3.558 2.338) 12.032 20.542 ( 3.550 7.338 -9.162) 12.263 23.002 ( -10.762 -12.246 -0.175) 16.304 23.365 ( 15.775 11.934 1.586) 19.844 24.322 ( 9.130 -5.042 11.057) 15.201 ======================= Grid point 525 (257/361) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -15.588 1.422 -5.323) 16.533 2.676 ( -17.997 8.285 10.888) 22.607 3.275 ( 7.475 -8.615 -0.990) 11.449 3.456 ( 0.531 -0.470 -0.064) 0.711 3.722 ( 3.933 4.242 7.828) 9.733 3.924 ( 1.040 -11.750 -1.875) 11.944 4.508 ( 4.602 0.304 -3.011) 5.508 4.738 ( -7.233 -0.849 2.970) 7.865 5.297 ( -5.124 -10.479 -0.843) 11.696 5.444 ( -4.488 -0.949 0.646) 4.632 5.794 ( -5.734 -0.523 2.765) 6.387 6.199 ( -5.940 0.256 5.621) 8.182 6.539 ( -4.103 4.959 -4.220) 7.696 7.103 ( -1.125 -3.199 -2.323) 4.111 7.400 ( 11.671 3.494 -6.922) 14.012 8.079 ( -6.734 7.653 0.045) 10.194 8.962 ( -13.120 -2.851 5.957) 14.689 9.543 ( -14.910 -5.284 12.047) 19.884 9.669 ( -0.561 -2.833 5.360) 6.089 9.811 ( 2.484 3.709 -2.108) 4.937 10.587 ( -0.131 10.635 1.110) 10.694 11.415 ( 4.650 5.822 -3.994) 8.454 11.523 ( 14.593 1.985 -10.796) 18.261 12.630 ( 2.495 -3.413 -2.280) 4.803 12.961 ( -3.026 -0.668 -2.856) 4.214 13.182 ( -6.269 0.558 0.134) 6.295 13.593 ( 4.394 4.389 7.180) 9.493 14.369 ( 10.677 -16.170 -8.051) 20.983 17.319 ( -3.167 -2.076 13.713) 14.226 18.707 ( 1.600 2.611 -19.048) 19.292 19.303 ( 4.971 -2.327 5.038) 7.451 19.530 ( 1.308 -1.652 1.546) 2.614 20.469 ( 1.629 4.702 -1.462) 5.186 22.952 ( -7.599 -11.608 -2.629) 14.121 23.454 ( 7.932 7.794 0.608) 11.137 24.601 ( 4.843 -3.440 8.907) 10.706 ======================= Grid point 526 (258/361) ======================= q-point: (-0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -16.583 7.729 4.157) 18.762 2.465 ( -16.762 12.140 11.880) 23.864 3.391 ( 3.937 -0.810 0.751) 4.089 3.518 ( 2.090 -7.408 -1.518) 7.845 3.794 ( 5.732 6.783 -0.331) 8.886 4.002 ( -8.704 -14.205 4.045) 17.143 4.412 ( -10.814 -6.306 -3.332) 12.953 4.852 ( 8.759 -3.912 1.624) 9.729 5.269 ( -1.712 -1.683 -1.802) 3.001 5.473 ( 3.749 0.918 3.966) 5.534 5.817 ( -1.429 -1.075 6.830) 7.060 6.196 ( -0.961 -2.586 -0.142) 2.763 6.450 ( -2.516 0.773 5.113) 5.751 7.055 ( -5.888 -3.387 -2.243) 7.154 7.425 ( 8.203 -0.582 -12.353) 14.840 8.000 ( -3.471 0.975 7.071) 7.937 8.897 ( -8.566 4.871 11.024) 14.787 9.546 ( -15.146 -7.426 13.024) 21.311 9.672 ( -1.654 8.939 -0.635) 9.113 9.820 ( 6.395 1.949 0.119) 6.686 10.525 ( -6.851 -1.026 2.623) 7.407 11.309 ( 4.582 7.936 -11.210) 14.479 11.596 ( 10.296 0.263 -4.945) 11.424 12.597 ( -4.836 0.631 -2.220) 5.358 12.901 ( -0.723 1.805 -1.966) 2.765 13.109 ( -5.061 -1.269 0.964) 5.306 13.631 ( 0.786 8.507 3.027) 9.063 14.517 ( 9.962 -12.214 -13.386) 20.679 17.598 ( 4.838 -8.560 18.863) 21.272 18.463 ( 5.722 5.079 -19.187) 20.656 19.399 ( -0.576 -5.604 -0.383) 5.647 19.645 ( 12.553 0.823 -0.386) 12.586 20.417 ( -2.809 5.988 0.765) 6.658 22.957 ( -3.991 -13.923 -1.501) 14.561 23.477 ( 2.790 3.459 -0.473) 4.469 24.692 ( -3.541 1.351 1.037) 3.929 ======================= Grid point 527 (259/361) ======================= q-point: (-0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -9.226 10.380 15.089) 20.507 2.327 ( -11.075 12.081 16.688) 23.390 3.456 ( 3.058 -2.471 -2.062) 4.439 3.539 ( -3.086 -3.581 -1.778) 5.050 3.776 ( 9.467 6.964 -7.608) 14.000 4.004 ( -18.160 -9.289 9.169) 22.364 4.321 ( -5.098 -12.319 -6.300) 14.745 4.895 ( -1.885 2.591 -3.506) 4.749 5.357 ( 7.116 -2.738 1.881) 7.853 5.614 ( 12.096 3.244 6.503) 14.111 5.918 ( -1.109 -0.158 10.328) 10.389 6.250 ( 6.973 -5.334 -2.231) 9.059 6.591 ( 0.665 -5.610 13.670) 14.791 6.950 ( -10.468 -4.201 -0.451) 11.289 7.313 ( 1.698 1.919 -14.630) 14.853 8.134 ( -0.459 -8.659 11.261) 14.213 8.917 ( -3.962 10.866 17.538) 21.008 9.493 ( -1.805 11.088 -4.872) 12.245 9.589 ( -10.473 -4.808 11.378) 16.194 9.922 ( 4.686 -1.917 3.495) 6.153 10.436 ( -14.424 -4.681 2.174) 15.320 11.138 ( 3.490 11.815 -10.612) 16.260 11.675 ( 7.476 -3.253 -6.573) 10.473 12.453 ( -8.094 1.716 -2.805) 8.737 12.858 ( 0.167 6.518 2.641) 7.035 13.078 ( -3.278 -1.395 0.707) 3.632 13.565 ( -1.409 8.803 1.089) 8.982 14.536 ( 8.329 -8.171 -18.704) 22.045 17.914 ( 5.174 -7.956 -1.397) 9.592 18.453 ( 17.718 0.207 2.635) 17.914 19.380 ( -6.992 -9.873 -5.636) 13.346 19.850 ( 19.867 2.230 -2.073) 20.099 20.284 ( -6.475 10.110 0.912) 12.040 23.049 ( -2.559 -17.012 0.148) 17.204 23.462 ( -0.118 -0.033 -2.587) 2.590 24.485 ( -13.696 8.806 -6.557) 17.554 ======================= Grid point 528 (260/361) ======================= q-point: (-0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 0.017 5.559 18.606) 19.419 2.357 ( -5.788 8.908 22.121) 24.540 3.376 ( -7.545 -2.076 -5.576) 9.608 3.561 ( 5.927 -3.762 -5.575) 8.965 3.757 ( 10.184 6.721 -7.868) 14.519 3.931 ( -16.205 -3.802 9.971) 19.403 4.303 ( -1.107 -12.961 -9.098) 15.874 4.759 ( -3.712 8.509 -2.420) 9.594 5.447 ( 1.056 -1.072 3.435) 3.750 5.924 ( 18.303 -0.125 5.230) 19.036 6.017 ( -4.534 1.276 12.343) 13.211 6.426 ( 12.461 -5.604 -1.609) 13.758 6.792 ( -1.889 -6.977 -0.708) 7.262 6.922 ( -7.067 -5.261 19.974) 21.831 7.118 ( -0.916 4.204 -10.880) 11.700 8.389 ( -2.516 -16.736 13.854) 21.871 9.003 ( -2.532 14.195 20.481) 25.047 9.313 ( -1.140 9.371 -3.496) 10.067 9.627 ( -2.560 -0.365 3.888) 4.669 10.094 ( 3.296 -6.853 8.971) 11.761 10.261 ( -20.325 -5.852 3.101) 21.377 10.935 ( 4.071 16.996 -9.127) 19.717 11.637 ( -0.371 -2.534 -13.181) 13.428 12.318 ( -6.966 -2.715 -1.822) 7.695 12.862 ( -0.487 8.985 9.135) 12.822 13.050 ( 1.394 0.305 -3.209) 3.512 13.482 ( -1.596 5.584 0.217) 5.811 14.456 ( 6.712 -5.257 -20.151) 21.880 17.923 ( 7.201 -2.206 -11.718) 13.929 18.902 ( 22.620 -5.713 10.214) 25.468 19.231 ( -11.937 -10.244 -11.816) 19.673 19.952 ( -3.890 4.885 -5.747) 8.487 20.265 ( 18.965 7.996 8.079) 22.111 23.153 ( -11.630 -22.167 0.068) 25.033 23.411 ( 3.755 1.637 -7.384) 8.444 24.029 ( -19.511 15.940 -6.764) 26.087 ======================= Grid point 529 (261/361) ======================= q-point: (-0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 2.594 0.912 15.751) 15.989 2.542 ( -1.765 3.393 24.857) 25.149 3.213 ( -5.800 -1.034 -6.644) 8.880 3.568 ( 4.500 -3.005 -10.792) 12.072 3.754 ( 8.440 3.737 -8.320) 12.427 3.857 ( -9.617 -1.085 4.678) 10.750 4.296 ( 1.361 -7.938 -7.009) 10.676 4.582 ( -5.066 8.807 -3.063) 10.612 5.550 ( 1.787 -0.455 9.339) 9.519 6.084 ( -6.835 0.973 13.575) 15.230 6.164 ( 9.183 -0.227 0.130) 9.187 6.619 ( 11.729 -2.637 -2.197) 12.221 6.744 ( -5.280 -1.897 -3.044) 6.383 6.990 ( 1.286 0.916 -4.800) 5.053 7.221 ( -2.073 -4.500 26.660) 27.117 8.702 ( -4.802 -23.056 14.428) 27.619 9.061 ( -5.913 13.574 18.450) 23.656 9.238 ( 2.986 9.639 2.398) 10.372 9.591 ( 1.119 3.445 -5.587) 6.659 10.063 ( -21.241 0.545 13.030) 24.925 10.363 ( 4.856 -18.340 -0.798) 18.989 10.752 ( 6.228 19.713 -0.178) 20.674 11.430 ( -1.734 -0.422 -16.353) 16.450 12.195 ( -10.037 -4.230 -6.351) 12.608 12.893 ( -2.081 6.320 9.547) 11.636 13.058 ( 8.731 1.816 -5.129) 10.287 13.439 ( -1.440 1.319 1.879) 2.710 14.336 ( 4.794 -2.804 -17.727) 18.576 17.926 ( 9.959 -0.712 -8.977) 13.427 18.923 ( -13.839 -3.849 -17.846) 22.909 19.353 ( 19.625 -5.005 4.563) 20.761 19.725 ( -13.663 4.376 0.808) 14.370 20.700 ( 28.997 2.436 10.628) 30.979 22.941 ( -31.704 -12.410 -11.583) 35.963 23.433 ( 12.829 1.809 -5.766) 14.181 23.618 ( -13.842 9.417 1.314) 16.794 ======================= Grid point 531 (262/361) ======================= q-point: ( 0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( -0.196 -0.000 -9.775) 9.777 2.948 ( 6.323 0.000 7.365) 9.707 3.282 ( -2.419 -0.000 -5.666) 6.161 3.310 ( -0.440 -0.000 4.054) 4.078 3.547 ( 0.145 0.000 -14.963) 14.964 3.560 ( 3.051 0.000 14.585) 14.901 4.170 ( -0.700 -0.000 -1.018) 1.235 4.572 ( 6.374 0.000 0.835) 6.429 5.842 ( -12.185 -0.000 4.741) 13.075 5.861 ( -14.296 -0.000 -2.941) 14.595 6.174 ( -10.083 -0.000 5.342) 11.411 6.376 ( -9.861 -0.000 3.742) 10.547 6.847 ( 1.213 0.000 -1.322) 1.794 6.885 ( 6.213 0.000 -3.167) 6.973 8.192 ( -14.590 -0.000 -17.042) 22.434 8.419 ( -2.401 -0.000 27.247) 27.352 9.007 ( -15.471 -0.000 12.144) 19.668 9.476 ( 1.177 0.000 -7.118) 7.215 9.573 ( -0.973 -0.000 14.153) 14.186 9.969 ( -4.555 -0.000 -16.673) 17.284 10.627 ( 10.061 0.000 21.344) 23.597 11.018 ( 12.204 0.000 -13.208) 17.983 11.636 ( 13.005 0.000 -16.481) 20.995 11.853 ( 18.820 0.000 17.077) 25.413 12.800 ( -3.941 -0.000 -0.655) 3.995 13.240 ( 4.418 0.000 -6.515) 7.872 13.560 ( -8.023 -0.000 10.890) 13.526 13.925 ( 2.793 0.000 -13.395) 13.683 17.748 ( -11.729 -0.000 -10.380) 15.662 18.395 ( 13.127 0.000 8.358) 15.562 19.193 ( -13.532 -0.000 2.810) 13.821 19.747 ( -9.094 -0.000 2.122) 9.338 21.234 ( -10.945 -0.000 -21.323) 23.968 22.451 ( 17.637 0.000 19.529) 26.314 23.265 ( -0.020 -0.000 -0.529) 0.530 23.821 ( 10.604 0.000 -0.476) 10.615 ======================= Grid point 532 (263/361) ======================= q-point: (-0.80 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -2.957 -2.296 -11.064) 11.680 2.998 ( -6.467 0.701 1.883) 6.772 3.216 ( -1.647 2.603 -6.219) 6.940 3.339 ( 2.095 0.172 4.445) 4.917 3.462 ( 6.825 -5.372 -7.742) 11.635 3.763 ( 2.434 4.797 12.982) 14.053 4.227 ( 5.648 -1.582 2.500) 6.376 4.675 ( 2.555 -7.063 0.359) 7.520 5.583 ( -18.319 4.301 -1.008) 18.844 5.660 ( -16.929 -3.495 -1.234) 17.330 6.073 ( -11.564 0.386 3.637) 12.129 6.299 ( -9.501 0.112 6.011) 11.243 6.837 ( 3.065 4.663 -1.914) 5.899 6.951 ( 4.726 -4.786 -3.575) 7.617 7.791 ( -8.366 6.161 -13.447) 16.993 8.587 ( -8.480 6.343 15.693) 18.932 8.966 ( -13.365 -3.343 10.640) 17.407 9.429 ( 1.477 -3.186 -4.449) 5.668 9.662 ( -9.198 -1.919 -7.660) 12.123 9.728 ( -5.489 -3.015 7.337) 9.646 11.019 ( 12.207 3.529 12.796) 18.033 11.086 ( 17.197 4.220 -4.376) 18.240 11.612 ( 17.919 5.519 -18.838) 26.579 12.286 ( 14.451 -1.070 9.435) 17.291 12.822 ( 3.962 -5.074 2.588) 6.938 13.190 ( -2.542 -5.231 -7.220) 9.271 13.551 ( -11.401 2.771 12.109) 16.861 13.832 ( 6.529 -3.377 -12.713) 14.685 17.498 ( -10.987 0.173 -4.081) 11.722 18.728 ( 13.150 -0.015 14.168) 19.331 19.032 ( -9.578 0.290 -1.843) 9.758 19.609 ( -14.820 -2.246 3.268) 15.341 20.879 ( -0.305 3.378 -20.619) 20.896 22.785 ( -3.317 -4.407 11.605) 12.849 23.379 ( 15.583 4.759 5.149) 17.088 23.974 ( 9.245 -2.387 1.524) 9.669 ======================= Grid point 533 (264/361) ======================= q-point: (-0.70 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -3.711 -6.413 -10.126) 12.547 2.901 ( -12.158 1.259 7.342) 14.258 3.071 ( 1.580 0.118 -10.692) 10.809 3.415 ( -2.284 -4.493 3.052) 5.892 3.578 ( 8.691 -3.844 -1.655) 9.646 3.864 ( 0.858 9.276 10.578) 14.096 4.387 ( 9.300 -0.485 3.144) 9.829 4.769 ( -2.613 -10.425 0.082) 10.748 5.247 ( -21.983 1.278 -0.245) 22.021 5.468 ( -11.142 -3.919 -1.136) 11.866 5.939 ( -11.004 2.348 3.094) 11.669 6.250 ( -8.213 0.653 6.569) 10.537 6.779 ( -0.936 5.479 -3.235) 6.432 7.000 ( 1.677 -5.838 -4.017) 7.282 7.546 ( 1.175 5.348 -8.925) 10.471 8.461 ( -13.855 7.968 2.038) 16.112 8.952 ( -9.285 -0.128 10.143) 13.752 9.433 ( -8.840 -12.514 -8.692) 17.616 9.487 ( 0.006 -4.866 0.862) 4.942 9.805 ( -7.237 2.017 14.387) 16.230 11.089 ( 13.258 19.622 -4.195) 24.049 11.368 ( 11.008 2.232 10.123) 15.120 11.582 ( 19.285 4.701 -20.415) 28.474 12.479 ( 6.087 -3.611 -1.751) 7.291 12.969 ( 0.698 -1.594 -2.288) 2.875 13.169 ( 3.882 -8.135 -1.137) 9.085 13.523 ( -9.021 4.177 15.175) 18.141 13.877 ( 8.793 -12.139 -9.115) 17.543 17.330 ( -10.428 0.879 2.911) 10.862 18.875 ( -4.723 -1.524 -8.309) 9.678 19.089 ( 11.864 2.083 14.890) 19.153 19.494 ( -9.253 -3.036 3.198) 10.250 20.640 ( 2.838 3.556 -15.505) 16.158 22.796 ( -12.275 -8.594 2.430) 15.180 23.618 ( 15.673 13.821 5.847) 21.699 24.198 ( 8.467 -8.196 6.988) 13.700 ======================= Grid point 534 (265/361) ======================= q-point: (-0.60 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -5.884 -1.104 -5.993) 8.471 2.802 ( -15.618 5.666 11.740) 20.343 3.083 ( 9.146 -10.506 -5.993) 15.164 3.431 ( -3.371 -4.035 0.122) 5.259 3.692 ( 2.493 -7.134 -1.203) 7.652 3.905 ( 0.041 9.937 9.888) 14.019 4.538 ( 5.071 2.514 0.715) 5.705 4.702 ( -12.782 -3.476 0.220) 13.248 5.068 ( -9.375 -12.832 1.259) 15.942 5.412 ( -2.018 -2.192 2.767) 4.066 5.823 ( -7.911 2.991 5.241) 9.950 6.215 ( -5.845 1.156 4.926) 7.731 6.632 ( -5.697 5.161 -3.806) 8.578 6.997 ( -2.961 -7.113 -4.593) 8.970 7.472 ( 6.263 3.140 -7.300) 10.118 8.182 ( -15.125 3.984 -1.702) 15.733 8.954 ( -5.058 3.168 8.978) 10.781 9.349 ( -10.077 -15.478 -2.176) 18.597 9.605 ( 3.480 -3.507 4.748) 6.853 9.841 ( -8.923 1.822 12.859) 15.757 10.969 ( 7.356 26.568 -3.408) 27.777 11.549 ( 16.100 6.446 -16.701) 24.076 11.563 ( 10.275 3.086 -0.181) 10.730 12.553 ( 3.215 -4.630 -2.320) 6.096 12.897 ( -3.682 -5.351 -5.197) 8.319 13.202 ( -5.679 0.657 1.375) 5.879 13.653 ( 4.868 2.516 9.669) 11.114 14.057 ( 9.279 -16.819 -4.955) 19.838 17.287 ( -7.081 -1.367 11.162) 13.289 18.699 ( -1.375 -2.414 -16.295) 16.530 19.355 ( 8.504 6.303 9.066) 13.937 19.503 ( 2.996 -1.326 2.613) 4.191 20.508 ( 0.858 0.002 -7.414) 7.464 22.712 ( -13.654 -11.898 0.154) 18.111 23.697 ( 10.080 16.296 1.132) 19.195 24.488 ( 4.756 -8.846 8.925) 13.436 ======================= Grid point 535 (266/361) ======================= q-point: (-0.50 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -6.703 8.282 4.246) 11.470 2.653 ( -15.248 8.786 11.224) 20.873 3.292 ( 8.670 -10.869 -0.501) 13.912 3.419 ( -2.058 -3.573 -0.700) 4.182 3.747 ( -4.803 -12.335 -1.027) 13.277 3.949 ( 3.996 9.664 6.562) 12.346 4.336 ( -18.345 -1.815 -3.115) 18.696 4.768 ( 4.929 -4.818 1.758) 7.114 5.144 ( -1.552 -10.707 4.302) 11.643 5.495 ( 4.551 0.778 5.240) 6.984 5.818 ( -2.757 1.188 9.210) 9.687 6.182 ( -2.176 0.809 0.479) 2.371 6.480 ( -5.714 2.347 0.850) 6.235 6.930 ( -8.952 -8.969 -4.208) 13.353 7.436 ( 4.887 0.995 -9.536) 10.761 7.979 ( -11.419 -2.992 1.670) 11.922 8.991 ( -0.803 6.271 10.877) 12.581 9.353 ( -10.768 -14.298 3.897) 18.319 9.734 ( 3.580 0.174 3.882) 5.284 9.843 ( -8.978 0.410 9.571) 13.129 10.763 ( 1.833 24.768 -1.265) 24.868 11.468 ( 15.545 7.514 -20.710) 26.963 11.644 ( 7.640 5.344 -1.080) 9.385 12.580 ( -2.009 -2.359 -1.146) 3.304 12.868 ( 0.079 -4.984 -3.128) 5.884 13.115 ( -8.047 1.571 4.134) 9.182 13.752 ( 2.765 4.038 1.977) 5.278 14.266 ( 8.452 -14.199 -6.843) 17.885 17.453 ( -0.719 -7.034 17.578) 18.947 18.487 ( 2.853 -2.003 -20.836) 21.125 19.422 ( 2.172 7.602 0.916) 7.959 19.663 ( 14.744 0.855 0.832) 14.792 20.458 ( -2.520 -1.442 -1.240) 3.157 22.656 ( -12.997 -15.832 1.553) 20.542 23.669 ( 6.996 14.641 -1.675) 16.313 24.655 ( -3.038 -5.255 3.838) 7.181 ======================= Grid point 536 (267/361) ======================= q-point: (-0.40 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -5.686 14.135 13.829) 20.576 2.529 ( -11.386 9.581 14.327) 20.657 3.412 ( -3.267 -3.989 -1.427) 5.350 3.450 ( 3.498 -5.128 -0.296) 6.214 3.773 ( -7.039 -12.578 0.747) 14.433 3.963 ( 6.480 10.842 -2.385) 12.854 4.127 ( -11.903 -8.558 -1.197) 14.710 4.863 ( -0.276 -5.471 -0.120) 5.479 5.302 ( 3.960 -4.404 5.150) 7.849 5.651 ( 8.166 1.299 7.671) 11.279 5.926 ( 1.192 1.013 10.225) 10.344 6.180 ( 3.586 -1.879 -1.195) 4.221 6.499 ( -2.117 -4.151 9.582) 10.655 6.815 ( -13.391 -9.930 -1.587) 16.746 7.342 ( 1.611 1.072 -11.359) 11.522 7.961 ( -6.525 -10.354 5.151) 13.278 9.084 ( 0.196 8.045 14.598) 16.669 9.404 ( -9.774 -12.901 8.603) 18.330 9.721 ( -2.962 9.373 -0.134) 9.830 9.862 ( -4.522 -2.901 6.595) 8.507 10.567 ( -1.968 18.417 2.343) 18.670 11.347 ( 14.506 9.815 -19.858) 26.478 11.668 ( 6.035 3.572 -4.514) 8.340 12.488 ( -7.922 1.475 -2.623) 8.474 12.901 ( 2.351 -1.585 0.736) 2.930 13.073 ( -5.117 0.864 5.524) 7.579 13.722 ( -1.093 6.885 0.068) 6.972 14.357 ( 5.829 -10.621 -12.863) 17.670 17.758 ( 3.574 -8.839 10.003) 13.818 18.380 ( 9.703 -7.616 -11.902) 17.141 19.336 ( -2.589 5.124 -3.821) 6.896 19.889 ( 18.432 1.855 -1.988) 18.631 20.407 ( -2.703 3.031 0.477) 4.089 22.673 ( -12.885 -20.070 3.812) 24.154 23.601 ( 5.943 11.947 -3.970) 13.922 24.572 ( -11.919 0.811 -3.336) 12.404 ======================= Grid point 537 (268/361) ======================= q-point: (-0.30 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -2.684 10.976 15.761) 19.393 2.527 ( -7.879 8.606 19.850) 23.025 3.325 ( -8.315 -3.517 -4.076) 9.906 3.506 ( 3.099 -2.500 -3.135) 5.068 3.796 ( -6.002 -8.906 1.992) 10.923 3.918 ( 8.127 8.653 -7.135) 13.850 4.096 ( -2.277 -8.601 -1.260) 8.986 4.853 ( -3.368 1.063 -0.407) 3.556 5.427 ( 2.221 -1.125 4.607) 5.236 5.902 ( 10.471 -2.113 8.800) 13.840 6.059 ( 1.696 2.997 9.056) 9.689 6.311 ( 10.050 -5.965 0.635) 11.705 6.660 ( -2.272 -7.118 3.328) 8.180 6.770 ( -9.474 -11.116 14.453) 20.548 7.185 ( -1.378 2.858 -10.634) 11.097 8.081 ( -6.310 -17.084 7.738) 19.788 9.200 ( -2.103 7.739 16.637) 18.469 9.527 ( 2.702 3.375 -0.813) 4.400 9.556 ( -10.437 -0.545 10.666) 14.933 9.890 ( -7.227 -5.286 5.667) 10.596 10.426 ( -2.561 16.100 4.398) 16.885 11.210 ( 13.364 12.909 -16.929) 25.136 11.606 ( 1.017 0.762 -11.422) 11.492 12.303 ( -10.488 0.710 -2.892) 10.903 12.976 ( 2.444 2.193 5.710) 6.587 13.075 ( -0.010 2.935 3.104) 4.272 13.618 ( -3.380 8.200 0.129) 8.871 14.323 ( 4.141 -8.696 -16.835) 19.395 17.871 ( 6.716 -3.259 -8.185) 11.078 18.647 ( 9.665 -19.590 4.432) 22.290 19.188 ( -1.487 4.302 -5.973) 7.510 19.997 ( 0.197 0.416 -5.715) 5.734 20.439 ( 16.658 9.605 4.439) 19.735 22.717 ( -16.686 -22.705 3.451) 28.387 23.532 ( 7.273 9.300 -6.067) 13.274 24.243 ( -18.117 7.600 -7.036) 20.868 ======================= Grid point 538 (269/361) ======================= q-point: (-0.20 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 1.010 4.260 14.050) 14.716 2.632 ( -5.602 5.469 22.826) 24.132 3.180 ( -6.361 -2.472 -5.609) 8.834 3.504 ( 1.824 -3.329 -7.134) 8.082 3.771 ( -5.554 -6.254 -7.019) 10.919 3.871 ( 8.785 5.946 -6.094) 12.234 4.175 ( 3.263 -3.584 2.513) 5.460 4.742 ( -4.279 6.940 -2.823) 8.628 5.542 ( 1.668 -0.221 9.320) 9.471 6.103 ( -6.131 -0.158 13.740) 15.047 6.164 ( 9.675 1.213 -0.767) 9.781 6.537 ( 11.712 -5.670 -0.385) 13.018 6.682 ( -3.281 -4.616 1.384) 5.830 7.017 ( -2.259 1.685 -6.527) 7.109 7.063 ( -2.238 -12.159 23.596) 26.639 8.273 ( -7.696 -23.584 8.396) 26.191 9.246 ( -8.807 8.656 13.922) 18.609 9.433 ( 5.340 8.950 1.435) 10.521 9.694 ( -3.599 3.437 11.685) 12.701 9.926 ( -8.467 -11.455 5.920) 15.426 10.304 ( -2.242 12.029 4.203) 12.938 11.083 ( 12.565 16.217 -10.325) 22.967 11.419 ( -0.415 -0.321 -16.187) 16.195 12.105 ( -12.445 -4.097 -6.269) 14.525 13.045 ( -1.394 7.554 9.701) 12.373 13.113 ( 8.863 4.172 -1.329) 9.885 13.499 ( -4.197 5.539 0.587) 6.975 14.237 ( 3.309 -7.680 -16.638) 18.621 17.902 ( 10.030 -1.795 -8.178) 13.066 18.780 ( -12.242 -11.583 -8.946) 19.081 19.257 ( 16.625 -3.897 2.336) 17.235 19.808 ( -10.785 3.295 -4.555) 12.163 20.787 ( 27.811 6.870 9.213) 30.091 22.630 ( -24.728 -18.875 -3.382) 31.292 23.507 ( 10.241 5.911 -6.062) 13.288 23.818 ( -17.366 10.234 -4.309) 20.613 ======================= Grid point 539 (270/361) ======================= q-point: (-0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 3.665 0.659 12.027) 12.590 2.842 ( -1.036 0.478 21.576) 21.607 3.065 ( -2.223 -1.401 -5.163) 5.793 3.452 ( 0.577 -3.975 -8.206) 9.136 3.619 ( -3.188 -2.063 -11.773) 12.370 3.854 ( 3.878 2.983 -6.860) 8.426 4.285 ( 3.562 -0.107 3.170) 4.769 4.550 ( -3.142 10.165 -4.750) 11.652 5.707 ( 1.399 -1.086 11.640) 11.774 6.150 ( -9.854 0.509 12.155) 15.655 6.214 ( 2.401 0.917 -2.429) 3.536 6.618 ( -6.224 0.335 -1.726) 6.467 6.715 ( 6.691 -3.686 -0.827) 7.684 6.951 ( 0.342 -0.177 -3.357) 3.379 7.505 ( 2.332 -10.892 29.368) 31.409 8.467 ( -10.045 -28.178 2.948) 30.060 9.243 ( -5.764 5.886 15.228) 17.313 9.474 ( 2.594 11.371 4.310) 12.434 9.589 ( -6.501 11.860 -2.166) 13.697 9.990 ( -6.971 -3.981 14.701) 16.750 10.300 ( 2.925 -1.632 -3.107) 4.569 11.082 ( 13.882 12.574 4.548) 19.275 11.238 ( 3.827 0.471 -16.436) 16.882 11.870 ( -10.293 -7.072 -11.953) 17.287 13.023 ( -3.841 10.458 5.478) 12.415 13.188 ( 11.118 5.793 -3.170) 12.931 13.452 ( -3.312 -0.813 4.805) 5.892 14.148 ( 2.473 -5.744 -14.193) 15.510 17.992 ( 11.610 -0.683 -3.934) 12.278 18.480 ( -13.573 -1.980 -15.650) 20.810 19.483 ( -7.709 -4.328 3.581) 9.539 19.655 ( 6.312 0.358 -1.236) 6.442 21.292 ( 27.813 2.248 14.039) 31.236 22.265 ( -27.644 -7.905 -12.771) 31.461 23.501 ( -10.649 5.959 -0.446) 12.211 23.570 ( 9.921 2.263 -3.610) 10.798 ======================= Grid point 542 (271/361) ======================= q-point: ( 0.20 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -2.215 -0.000 -10.937) 11.159 2.897 ( -8.659 -0.000 1.863) 8.857 3.097 ( -0.910 -0.000 -10.756) 10.794 3.351 ( -3.797 -0.000 3.579) 5.218 3.544 ( 8.351 0.000 -0.424) 8.361 3.977 ( 0.407 0.000 13.543) 13.549 4.384 ( 8.818 0.000 5.810) 10.560 4.639 ( -2.226 -0.000 -0.359) 2.255 5.275 ( -26.056 -0.000 -2.523) 26.178 5.424 ( -8.586 -0.000 -0.678) 8.612 5.963 ( -11.397 -0.000 4.621) 12.298 6.256 ( -7.990 -0.000 6.587) 10.355 6.880 ( 0.582 0.000 -1.624) 1.725 6.895 ( -0.369 -0.000 -5.730) 5.742 7.593 ( -0.837 -0.000 -10.480) 10.513 8.541 ( -16.963 -0.000 2.988) 17.224 8.973 ( -9.716 -0.000 16.198) 18.888 9.291 ( -9.306 -0.000 -13.789) 16.635 9.434 ( 5.706 0.000 -2.695) 6.311 9.829 ( -8.586 -0.000 16.385) 18.498 11.296 ( 20.662 0.000 -6.696) 21.720 11.369 ( 8.825 0.000 11.946) 14.852 11.654 ( 20.136 0.000 -22.303) 30.048 12.428 ( 2.412 0.000 0.212) 2.421 12.991 ( -6.828 -0.000 -8.500) 10.903 13.044 ( 14.648 0.000 6.567) 16.052 13.570 ( -11.070 -0.000 16.990) 20.278 13.756 ( 8.184 0.000 -12.534) 14.969 17.339 ( -10.811 -0.000 2.905) 11.195 18.858 ( -5.971 -0.000 -8.082) 10.049 19.116 ( 12.007 0.000 17.555) 21.269 19.462 ( -8.287 -0.000 3.393) 8.955 20.673 ( 2.565 0.000 -18.277) 18.456 22.715 ( -12.438 -0.000 2.947) 12.782 23.784 ( 16.497 0.000 12.961) 20.979 24.086 ( 7.033 0.000 0.585) 7.057 ======================= Grid point 543 (272/361) ======================= q-point: (-0.70 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 2.241 -0.781 -4.439) 5.034 2.854 ( -8.512 -1.038 10.408) 13.485 2.964 ( 3.437 -0.751 -11.567) 12.091 3.337 ( -4.688 -4.270 0.668) 6.376 3.611 ( -0.115 -1.889 -0.056) 1.894 4.095 ( -2.782 8.139 13.728) 16.200 4.579 ( 6.622 1.365 4.984) 8.400 4.606 ( -7.305 -5.721 -1.339) 9.375 4.901 ( -19.618 -4.401 -0.336) 20.108 5.378 ( -0.313 -1.168 2.529) 2.804 5.873 ( -10.145 1.795 7.518) 12.754 6.232 ( -5.453 0.560 5.022) 7.434 6.728 ( -6.654 5.263 -4.838) 9.767 6.866 ( -4.898 -6.589 -4.005) 9.135 7.504 ( 3.956 0.618 -8.274) 9.192 8.246 ( -18.829 2.759 -4.424) 19.537 9.034 ( -5.168 3.138 9.948) 11.641 9.095 ( -6.731 -8.784 -2.585) 11.364 9.550 ( 7.632 -2.062 3.084) 8.486 9.875 ( -12.779 1.235 16.250) 20.710 11.407 ( 12.395 17.835 -2.950) 21.919 11.574 ( 11.737 -0.893 -6.739) 13.563 11.650 ( 18.715 1.956 -15.816) 24.582 12.471 ( 1.672 -3.576 0.165) 3.951 12.809 ( -6.003 -3.077 -6.047) 9.059 13.198 ( -1.494 -0.664 1.297) 2.087 13.698 ( 5.038 3.003 5.077) 7.757 13.806 ( 6.570 -9.578 2.393) 11.858 17.271 ( -9.394 -0.461 9.763) 13.556 18.659 ( -2.597 -1.332 -15.053) 15.333 19.461 ( 9.180 3.789 13.545) 16.795 19.485 ( 4.881 -0.584 4.204) 6.468 20.493 ( 0.216 -0.939 -13.716) 13.749 22.560 ( -14.454 -4.353 0.894) 15.122 24.002 ( 8.117 16.373 5.106) 18.974 24.283 ( 5.515 -13.393 6.447) 15.854 ======================= Grid point 544 (273/361) ======================= q-point: (-0.60 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 2.617 6.606 4.980) 8.677 2.803 ( -10.595 7.550 8.914) 15.771 3.062 ( 9.017 -12.444 -0.638) 15.381 3.327 ( -2.228 -6.333 -1.229) 6.825 3.586 ( -6.150 -5.171 -0.556) 8.054 4.105 ( -7.403 5.923 9.903) 13.709 4.357 ( -13.987 4.663 -3.832) 15.234 4.673 ( -1.447 -6.519 1.265) 6.796 4.958 ( 3.044 -7.459 9.092) 12.148 5.485 ( 5.721 -1.591 5.154) 7.863 5.854 ( -6.803 2.262 12.333) 14.265 6.210 ( -1.838 1.720 1.012) 2.713 6.527 ( -8.675 2.679 -1.748) 9.246 6.766 ( -11.080 -8.184 -4.230) 14.410 7.449 ( 3.056 0.421 -8.689) 9.220 7.927 ( -14.960 -1.947 -5.011) 15.897 9.048 ( -0.683 -8.681 -1.373) 8.815 9.145 ( -5.922 1.433 14.401) 15.637 9.731 ( 7.593 -0.233 5.566) 9.417 9.859 ( -15.884 1.116 15.874) 22.484 11.260 ( 5.547 26.114 -6.103) 27.386 11.552 ( 16.091 2.275 -22.505) 27.759 11.760 ( 13.594 4.851 -4.135) 15.014 12.523 ( -0.837 -3.503 0.677) 3.664 12.755 ( -1.210 -6.276 -1.322) 6.527 13.139 ( -8.296 0.730 3.572) 9.062 13.757 ( 6.140 -3.319 -6.407) 9.474 14.061 ( 5.583 -6.627 6.503) 10.834 17.351 ( -4.503 -3.948 16.295) 17.361 18.433 ( 0.545 -2.825 -21.307) 21.501 19.613 ( 3.490 11.192 5.209) 12.829 19.674 ( 16.332 0.323 1.187) 16.378 20.381 ( -2.160 -6.043 -6.189) 8.916 22.431 ( -14.107 -8.346 2.416) 16.568 23.959 ( 4.327 16.330 -0.225) 16.895 24.507 ( -1.827 -10.625 5.073) 11.915 ======================= Grid point 545 (274/361) ======================= q-point: (-0.50 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -1.586 12.391 12.301) 17.532 2.695 ( -9.507 9.627 10.586) 17.179 3.259 ( -0.529 -11.103 0.207) 11.118 3.378 ( 3.493 -4.590 0.493) 5.789 3.553 ( -5.360 -10.138 -1.996) 11.640 4.007 ( -14.509 -4.396 4.011) 15.682 4.190 ( 5.169 12.245 -2.091) 13.454 4.730 ( -2.896 -8.279 2.395) 9.092 5.199 ( 4.625 -5.648 9.276) 11.804 5.664 ( 7.523 -0.519 6.021) 9.650 5.948 ( -2.940 1.384 15.629) 15.963 6.180 ( 2.010 1.591 -1.795) 3.129 6.445 ( -5.555 -1.866 6.153) 8.497 6.622 ( -13.684 -10.211 -2.451) 17.249 7.357 ( 0.684 0.957 -9.208) 9.283 7.769 ( -8.755 -10.075 -2.258) 13.537 9.133 ( -1.632 -10.816 3.185) 11.393 9.235 ( -4.424 3.951 15.412) 16.514 9.805 ( -17.817 0.777 15.054) 23.338 9.882 ( 6.536 4.208 4.661) 9.064 10.994 ( 2.526 25.174 -6.246) 26.060 11.458 ( 15.332 2.846 -23.758) 28.418 11.813 ( 12.171 10.532 -5.875) 17.134 12.493 ( -6.755 -1.041 -1.399) 6.976 12.834 ( 2.591 -4.929 3.058) 6.353 13.086 ( -6.172 0.059 6.138) 8.704 13.770 ( 3.008 -2.037 -6.137) 7.132 14.199 ( 1.060 -5.326 -0.960) 5.515 17.606 ( 1.223 -7.378 17.263) 18.814 18.232 ( 4.266 -7.273 -20.774) 22.420 19.516 ( -1.205 12.911 -3.279) 13.376 19.911 ( 15.284 0.374 -1.953) 15.413 20.392 ( 3.708 -4.250 -0.629) 5.675 22.377 ( -13.379 -11.963 4.814) 18.582 23.847 ( 2.914 14.221 -3.010) 14.825 24.525 ( -10.150 -5.670 -0.813) 11.654 ======================= Grid point 546 (275/361) ======================= q-point: (-0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -6.241 12.359 12.446) 18.617 2.662 ( -7.599 6.962 15.786) 18.852 3.245 ( -8.088 -5.311 -2.357) 9.959 3.460 ( 1.322 -2.883 -0.619) 3.231 3.575 ( -0.803 -13.420 -5.157) 14.399 3.996 ( -1.889 -2.785 8.107) 8.778 4.119 ( 7.462 12.217 -7.190) 16.020 4.793 ( -2.364 -7.013 1.554) 7.562 5.397 ( 3.467 -2.269 7.539) 8.603 5.859 ( 6.683 -2.540 6.970) 9.985 6.109 ( 0.927 2.157 13.574) 13.776 6.236 ( 5.969 -1.983 1.973) 6.592 6.541 ( -5.376 -6.782 2.741) 9.078 6.548 ( -6.636 -10.915 11.219) 17.001 7.223 ( -1.960 1.648 -8.992) 9.349 7.774 ( -6.987 -16.129 0.550) 17.586 9.286 ( -2.047 -6.943 11.241) 13.370 9.328 ( -3.363 -0.881 12.100) 12.590 9.706 ( -16.558 3.587 11.301) 20.365 9.948 ( 2.605 9.107 5.733) 11.072 10.757 ( 1.735 19.139 -3.429) 19.521 11.359 ( 15.935 3.117 -22.613) 27.839 11.739 ( 6.818 13.840 -10.959) 18.925 12.321 ( -12.321 0.779 -3.366) 12.796 12.967 ( 2.854 -2.114 6.004) 6.976 13.123 ( 0.686 1.234 6.606) 6.755 13.726 ( -0.656 2.172 -3.562) 4.223 14.178 ( -2.040 -5.668 -8.136) 10.123 17.814 ( 5.894 -2.737 -2.626) 7.009 18.287 ( 5.367 -18.394 1.097) 19.193 19.321 ( -1.162 9.392 -6.625) 11.553 19.975 ( -2.352 -2.892 -4.655) 5.964 20.581 ( 22.693 5.506 1.400) 23.394 22.368 ( -15.131 -15.072 5.103) 21.958 23.722 ( 3.368 11.145 -4.878) 12.623 24.314 ( -16.123 0.484 -5.678) 17.101 ======================= Grid point 547 (276/361) ======================= q-point: (-0.30 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -3.263 6.409 11.580) 13.631 2.725 ( -6.912 4.892 19.107) 20.899 3.127 ( -6.747 -3.292 -4.059) 8.534 3.449 ( -1.345 -3.135 -5.130) 6.161 3.606 ( 0.135 -10.109 -7.853) 12.801 4.010 ( 6.173 8.739 -8.704) 13.793 4.156 ( 5.723 0.561 8.677) 10.410 4.803 ( -1.870 -0.508 -1.437) 2.413 5.546 ( 2.211 0.558 9.477) 9.748 6.052 ( 1.710 -5.014 7.015) 8.790 6.220 ( 1.597 4.021 6.285) 7.630 6.437 ( 10.933 -4.754 2.842) 12.256 6.585 ( -2.843 -5.861 5.924) 8.805 6.802 ( -2.135 -14.721 18.010) 23.359 7.053 ( -4.614 1.817 -6.791) 8.408 7.859 ( -7.857 -21.146 2.033) 22.650 9.367 ( -8.369 4.620 14.469) 17.342 9.538 ( -1.996 -9.424 10.236) 14.056 9.583 ( -6.579 2.837 6.670) 9.789 9.967 ( -0.676 10.732 11.298) 15.598 10.586 ( -0.436 15.561 -2.320) 15.739 11.298 ( 16.786 4.103 -18.992) 25.677 11.501 ( 2.738 13.569 -14.627) 20.138 12.065 ( -15.004 -0.530 -6.440) 16.336 13.091 ( 0.355 -1.172 7.801) 7.896 13.231 ( 8.364 6.880 5.068) 11.958 13.621 ( -5.012 6.332 -0.632) 8.101 14.078 ( -1.255 -8.645 -13.091) 15.737 17.866 ( 10.120 -2.031 -7.238) 12.606 18.531 ( -4.745 -14.622 3.346) 15.732 19.227 ( 7.731 0.446 -4.594) 9.004 19.827 ( -9.332 -1.143 -6.348) 11.344 20.933 ( 28.738 8.493 5.587) 30.483 22.308 ( -19.544 -15.551 0.702) 24.986 23.634 ( 5.693 7.599 -5.294) 10.871 23.962 ( -17.218 5.445 -6.140) 19.074 ======================= Grid point 548 (277/361) ======================= q-point: (-0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 1.580 1.750 11.141) 11.388 2.855 ( -3.376 1.074 17.391) 17.748 3.037 ( -1.690 -1.452 -3.660) 4.285 3.371 ( -2.802 -4.770 -7.045) 8.957 3.559 ( -0.042 -3.816 -9.276) 10.030 3.923 ( 5.098 4.321 -9.360) 11.501 4.323 ( 4.404 2.962 7.366) 9.079 4.711 ( -0.745 6.685 -4.704) 8.208 5.697 ( 0.659 0.145 11.517) 11.537 6.137 ( -5.840 -2.434 5.570) 8.430 6.252 ( -0.034 3.240 2.516) 4.102 6.614 ( 2.169 -1.428 -1.192) 2.857 6.644 ( -0.172 -3.137 2.679) 4.129 6.932 ( -0.937 -1.949 -1.793) 2.809 7.241 ( 4.048 -16.757 24.360) 29.843 7.968 ( -9.576 -25.655 0.148) 27.385 9.350 ( -8.010 5.775 12.361) 15.821 9.553 ( -5.496 2.157 10.714) 12.233 9.722 ( -3.116 -4.631 3.303) 6.486 10.028 ( 0.028 10.524 12.853) 16.612 10.396 ( -1.343 11.554 -1.588) 11.740 11.245 ( 6.809 1.073 -16.598) 17.972 11.338 ( 16.256 14.206 -6.974) 22.687 11.757 ( -13.538 -3.986 -11.417) 18.153 13.183 ( -1.897 3.038 8.069) 8.828 13.326 ( 7.909 10.132 2.777) 13.150 13.477 ( -4.528 4.933 -0.226) 6.700 13.999 ( 1.384 -10.176 -13.103) 16.648 17.976 ( 11.454 -0.944 -2.222) 11.706 18.437 ( -11.473 -2.558 -8.461) 14.484 19.370 ( 1.347 -7.686 1.186) 7.893 19.655 ( -0.412 -0.567 -4.909) 4.958 21.356 ( 22.341 4.763 11.802) 25.712 22.095 ( -18.435 -9.765 -8.407) 22.492 23.623 ( -3.961 3.883 -3.148) 6.378 23.626 ( -1.323 6.416 -3.505) 7.430 ======================= Grid point 549 (278/361) ======================= q-point: (-0.10 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 4.688 -0.866 10.155) 11.218 2.952 ( 1.720 0.231 -3.034) 3.495 3.081 ( 0.840 -3.495 9.832) 10.468 3.318 ( -1.701 -6.202 -3.138) 7.156 3.469 ( -0.068 0.833 -5.750) 5.810 3.814 ( 2.270 4.226 -11.012) 12.011 4.343 ( -4.629 5.976 1.034) 7.629 4.630 ( 7.486 8.938 -1.278) 11.729 5.821 ( -4.264 -1.098 9.996) 10.923 6.065 ( -9.687 -0.647 -1.328) 9.799 6.239 ( -4.930 1.729 4.792) 7.089 6.508 ( -10.667 1.522 1.964) 10.953 6.728 ( 3.568 -3.933 -2.308) 5.790 6.947 ( 2.743 1.134 -0.960) 3.119 7.795 ( 6.209 -16.218 25.847) 31.139 8.036 ( -11.064 -26.686 -5.016) 29.320 9.398 ( -4.755 1.797 14.786) 15.635 9.516 ( -12.035 10.105 -2.595) 15.927 9.596 ( -6.058 7.730 6.826) 11.961 10.097 ( 3.527 0.527 2.371) 4.282 10.408 ( 6.180 5.830 8.318) 11.890 11.070 ( -1.913 0.450 -15.217) 15.343 11.458 ( 12.572 4.641 1.587) 13.495 11.590 ( 9.639 -4.264 -9.935) 14.484 13.101 ( -5.659 12.375 0.982) 13.643 13.371 ( 4.980 6.735 1.347) 8.484 13.447 ( -2.483 -1.618 4.315) 5.235 13.965 ( 3.883 -6.418 -11.333) 13.591 18.078 ( -7.022 0.195 -7.664) 10.396 18.193 ( 6.847 2.065 -2.736) 7.657 19.309 ( -13.368 -3.016 2.119) 13.867 19.742 ( 6.863 -2.829 -0.619) 7.449 21.517 ( -20.363 -9.517 -4.725) 22.968 22.039 ( 23.935 5.843 5.039) 25.148 23.391 ( -8.947 4.142 -1.281) 9.942 23.701 ( 9.804 1.559 -1.071) 9.985 ======================= Grid point 553 (279/361) ======================= q-point: ( 0.30 -0.70 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 6.869 0.000 6.120) 9.200 2.880 ( -0.262 -0.000 -3.472) 3.482 2.934 ( 2.527 0.000 9.565) 9.894 3.247 ( -3.853 -0.000 -1.173) 4.027 3.543 ( -7.782 -0.000 0.349) 7.790 4.152 ( -18.040 -0.000 8.030) 19.747 4.476 ( -4.283 -0.000 -3.155) 5.320 4.538 ( -6.220 -0.000 2.737) 6.796 4.899 ( 5.731 0.000 11.162) 12.547 5.464 ( 5.976 0.000 4.495) 7.477 5.879 ( -8.449 -0.000 13.551) 15.969 6.228 ( -1.251 -0.000 1.484) 1.941 6.565 ( -9.817 -0.000 -4.483) 10.792 6.673 ( -12.318 -0.000 -2.062) 12.489 7.452 ( 3.004 0.000 -8.403) 8.924 7.912 ( -16.778 -0.000 -8.440) 18.781 8.931 ( 0.357 0.000 -3.500) 3.519 9.189 ( -6.624 -0.000 18.096) 19.270 9.728 ( 10.350 0.000 5.305) 11.631 9.871 ( -17.280 -0.000 16.815) 24.111 11.565 ( 1.996 0.000 -7.664) 7.919 11.571 ( 15.052 0.000 -21.263) 26.051 11.773 ( 22.328 0.000 -8.638) 23.941 12.480 ( -2.522 -0.000 3.582) 4.381 12.688 ( -1.015 -0.000 -1.239) 1.602 13.144 ( -8.127 -0.000 3.147) 8.715 13.706 ( 8.158 0.000 -10.957) 13.660 14.012 ( 3.788 0.000 13.154) 13.688 17.314 ( -5.847 -0.000 15.706) 16.760 18.405 ( -0.169 -0.000 -21.322) 21.323 19.676 ( 16.940 0.000 1.282) 16.988 19.739 ( 3.805 0.000 10.012) 10.710 20.304 ( -2.196 -0.000 -11.294) 11.505 22.356 ( -13.999 -0.000 2.723) 14.261 24.197 ( 1.683 0.000 -2.436) 2.961 24.322 ( -0.070 -0.000 8.333) 8.333 ======================= Grid point 555 (280/361) ======================= q-point: (-0.60 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( -0.965 6.419 10.754) 12.561 2.861 ( 0.371 4.754 2.338) 5.311 3.101 ( 0.379 -1.371 5.770) 5.942 3.248 ( 0.512 -9.382 1.634) 9.537 3.430 ( -7.971 -3.093 -1.041) 8.613 3.960 ( -13.501 -1.015 4.674) 14.323 4.371 ( 2.038 6.600 -2.019) 7.197 4.593 ( -4.004 -5.590 4.872) 8.427 5.132 ( 5.105 -1.515 11.639) 12.799 5.633 ( 7.120 -1.824 5.132) 8.964 5.975 ( -5.934 1.191 18.767) 19.719 6.223 ( 3.101 2.258 -3.165) 4.974 6.422 ( -8.365 -0.767 4.446) 9.505 6.475 ( -15.187 -5.051 -0.547) 16.015 7.382 ( 2.214 1.427 -8.334) 8.740 7.621 ( -10.998 -5.141 -8.107) 14.598 8.969 ( 2.221 -5.042 1.692) 5.763 9.305 ( -7.440 2.139 17.941) 19.541 9.816 ( -20.312 0.468 17.843) 27.041 9.938 ( 10.149 1.601 4.944) 11.402 11.378 ( 2.542 13.646 -14.203) 19.860 11.485 ( 13.553 0.519 -23.525) 27.155 11.966 ( 18.596 4.593 -6.614) 20.264 12.457 ( -7.409 -2.167 1.327) 7.832 12.755 ( 4.885 -2.718 4.167) 6.973 13.076 ( -8.238 -0.732 5.221) 9.780 13.699 ( 6.431 -3.284 -9.472) 11.910 14.157 ( -2.179 -0.476 7.239) 7.575 17.507 ( -0.411 -2.940 19.811) 20.032 18.140 ( 2.337 -2.559 -23.900) 24.150 19.752 ( -1.945 11.514 -2.251) 11.892 19.890 ( 7.125 -3.372 -2.368) 8.230 20.290 ( 13.960 -4.985 -2.243) 14.993 22.237 ( -12.482 -3.641 5.200) 14.004 24.092 ( -0.870 11.259 -3.365) 11.783 24.386 ( -7.984 -8.277 1.638) 11.616 ======================= Grid point 556 (281/361) ======================= q-point: (-0.50 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -10.078 7.033 10.267) 16.014 2.822 ( -3.067 10.695 8.227) 13.837 3.135 ( -4.245 -6.157 -0.915) 7.534 3.325 ( -4.002 -11.781 -3.628) 12.960 3.418 ( 1.481 -3.030 1.916) 3.879 3.977 ( 1.321 0.230 9.858) 9.949 4.329 ( 5.751 9.907 -5.627) 12.762 4.636 ( -3.103 -8.916 2.424) 9.747 5.355 ( 4.275 -1.877 10.713) 11.686 5.799 ( 3.247 -3.939 4.847) 7.039 6.142 ( -3.665 1.664 20.285) 20.681 6.232 ( 3.371 1.306 1.804) 4.040 6.369 ( -6.863 -7.073 2.394) 10.142 6.458 ( -3.134 -3.596 8.493) 9.741 7.259 ( -1.994 2.747 -8.281) 8.950 7.512 ( -4.841 -12.100 -5.346) 14.086 9.117 ( 3.724 -6.699 6.647) 10.146 9.386 ( -9.201 2.540 17.468) 19.906 9.736 ( -21.881 0.817 18.347) 28.567 10.095 ( 9.185 5.477 3.154) 11.149 11.088 ( 1.905 15.632 -14.171) 21.185 11.381 ( 13.490 0.292 -22.537) 26.267 12.010 ( 13.135 13.135 -10.568) 21.371 12.323 ( -12.253 -0.646 -2.693) 12.562 12.926 ( 3.805 -1.422 7.471) 8.504 13.097 ( 0.301 -4.088 5.879) 7.167 13.700 ( 3.990 -3.105 -7.391) 8.954 14.139 ( -8.589 0.261 2.291) 8.893 17.780 ( 4.697 -0.832 7.223) 8.655 18.010 ( 4.884 -11.380 -6.595) 14.031 19.508 ( -5.384 10.451 -8.494) 14.503 19.892 ( -5.403 -6.033 -3.955) 9.013 20.641 ( 30.697 1.436 -0.232) 30.732 22.173 ( -13.447 -6.525 5.419) 15.899 23.921 ( -1.558 10.091 -4.637) 11.214 24.275 ( -13.401 -4.216 -3.618) 14.507 ======================= Grid point 557 (282/361) ======================= q-point: (-0.40 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -7.947 5.481 9.423) 13.491 2.828 ( -3.890 6.699 12.587) 14.780 3.062 ( -6.555 -3.695 -2.486) 7.925 3.349 ( -0.760 -8.451 -5.665) 10.203 3.468 ( 2.084 -3.973 -2.053) 4.933 4.153 ( -3.093 3.622 9.232) 10.388 4.195 ( 9.607 6.187 -7.785) 13.826 4.735 ( 3.325 -5.950 -0.267) 6.821 5.549 ( 3.083 -0.463 10.134) 10.603 5.933 ( 0.233 -7.598 5.133) 9.172 6.286 ( -1.339 2.563 9.568) 9.995 6.380 ( 8.008 -1.201 7.446) 11.000 6.462 ( -1.432 -7.363 10.016) 12.514 6.592 ( -1.305 -7.079 11.181) 13.298 7.083 ( -6.374 1.457 -6.800) 9.434 7.527 ( -3.178 -14.690 -3.930) 15.536 9.349 ( 4.032 -7.160 10.014) 12.953 9.440 ( -9.198 2.155 15.961) 18.547 9.640 ( -21.491 1.726 17.895) 28.019 10.180 ( 7.741 10.374 3.281) 13.353 10.828 ( 1.125 11.272 -10.792) 15.646 11.310 ( 13.432 -0.426 -19.545) 23.719 11.834 ( 7.795 19.225 -15.690) 26.011 12.072 ( -14.734 1.025 -5.542) 15.775 13.045 ( -2.491 -3.069 8.234) 9.134 13.300 ( 12.439 -0.685 5.391) 13.574 13.676 ( 0.913 -0.018 -4.633) 4.722 13.985 ( -11.632 -0.652 -2.869) 11.998 17.834 ( 10.133 -1.298 -7.217) 12.508 18.281 ( 1.458 -11.955 12.298) 17.213 19.264 ( -2.165 3.300 -9.169) 9.983 19.776 ( -7.595 -3.953 -6.210) 10.577 21.072 ( 33.128 6.288 1.509) 33.753 22.081 ( -16.969 -9.163 2.126) 19.402 23.770 ( 0.077 6.930 -4.765) 8.410 24.020 ( -14.954 1.164 -5.624) 16.019 ======================= Grid point 558 (283/361) ======================= q-point: (-0.30 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -0.735 2.767 10.008) 10.410 2.883 ( -3.986 1.784 11.013) 11.848 3.015 ( 0.909 -1.009 -1.151) 1.780 3.282 ( -4.246 -4.589 -6.858) 9.280 3.504 ( 2.551 -1.994 -3.341) 4.652 3.995 ( -1.282 3.025 -8.697) 9.296 4.365 ( 5.722 1.606 7.130) 9.282 4.785 ( 4.564 1.685 -4.251) 6.460 5.705 ( 0.599 0.253 10.648) 10.667 6.049 ( -2.820 -7.279 3.297) 8.473 6.321 ( -2.294 3.757 4.898) 6.586 6.563 ( 7.540 -3.194 0.551) 8.207 6.610 ( -3.403 -1.375 7.418) 8.276 6.852 ( -2.522 -9.187 6.644) 11.614 6.978 ( 1.532 -7.976 11.157) 13.800 7.571 ( -4.178 -17.015 -4.536) 18.099 9.439 ( -10.775 3.743 12.436) 16.875 9.570 ( -9.594 -1.315 14.662) 17.571 9.610 ( -3.918 -4.200 12.941) 14.158 10.230 ( 4.897 10.811 6.143) 13.364 10.617 ( -1.943 9.979 -8.034) 12.958 11.261 ( 10.166 0.668 -16.296) 19.219 11.608 ( 11.834 14.486 -12.945) 22.748 11.757 ( -11.831 4.606 -9.441) 15.822 13.142 ( -3.394 -5.174 8.340) 10.385 13.507 ( 3.432 6.150 4.728) 8.482 13.608 ( 3.186 8.208 -0.414) 8.814 13.809 ( -4.640 -8.694 -9.560) 13.730 17.960 ( 11.777 -0.764 0.038) 11.801 18.392 ( -7.669 -2.367 -0.405) 8.036 19.223 ( 1.845 -7.781 -1.901) 8.220 19.633 ( -1.573 -1.774 -7.395) 7.766 21.459 ( 16.455 6.256 7.222) 19.028 21.929 ( -7.440 -8.279 -5.922) 12.608 23.682 ( -2.090 2.935 -3.125) 4.769 23.740 ( -7.518 5.366 -3.883) 10.019 ======================= Grid point 559 (284/361) ======================= q-point: (-0.20 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 1.821 0.068 10.158) 10.320 2.958 ( 3.378 0.249 2.128) 4.001 3.053 ( 2.516 0.600 1.574) 3.028 3.205 ( -2.817 -5.925 -2.295) 6.951 3.484 ( 0.504 1.293 -2.841) 3.162 3.865 ( 0.229 0.826 -8.869) 8.910 4.443 ( -0.935 4.357 2.102) 4.927 4.767 ( 7.352 5.874 -3.480) 10.033 5.817 ( -3.818 0.204 9.874) 10.588 6.032 ( -8.327 -3.296 -1.254) 9.043 6.280 ( -5.168 2.740 2.445) 6.339 6.537 ( -12.485 1.565 3.598) 13.087 6.668 ( 4.993 -2.624 -1.975) 5.976 6.922 ( 2.035 -4.562 2.341) 5.516 7.461 ( 9.248 -18.808 17.892) 27.557 7.603 ( -4.893 -18.985 -4.207) 20.052 9.419 ( -8.023 0.901 11.252) 13.849 9.583 ( -10.367 1.414 9.486) 14.123 9.727 ( -7.608 2.548 11.871) 14.328 10.206 ( -0.778 9.930 -0.703) 9.986 10.486 ( 3.354 2.543 1.019) 4.331 11.129 ( -2.356 6.215 -11.913) 13.642 11.477 ( 3.253 -0.178 -13.695) 14.077 11.657 ( 20.039 9.539 -2.231) 22.305 13.251 ( -3.791 -4.135 9.376) 10.926 13.347 ( -11.911 5.913 0.734) 13.318 13.588 ( 1.847 6.077 -4.510) 7.790 13.854 ( 12.163 -2.732 -5.049) 13.450 18.096 ( -4.974 1.791 -3.472) 6.325 18.226 ( 4.975 1.420 -2.310) 5.666 19.242 ( -8.252 -4.191 0.999) 9.309 19.669 ( 9.954 -4.935 -3.059) 11.524 21.368 ( -25.386 -6.460 -3.606) 26.442 22.125 ( 29.690 3.567 2.032) 29.973 23.477 ( -10.012 5.061 -1.511) 11.320 23.733 ( 6.745 1.674 -0.048) 6.949 ======================= Grid point 560 (285/361) ======================= q-point: (-0.10 -0.70 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( -3.236 -1.458 9.873) 10.492 2.961 ( 4.482 2.038 -7.517) 8.986 3.160 ( 7.092 -1.930 3.706) 8.231 3.240 ( -1.120 -4.576 0.100) 4.712 3.465 ( 0.298 -0.759 1.507) 1.713 3.748 ( 1.273 4.314 -7.542) 8.782 4.343 ( -0.766 7.680 -3.168) 8.343 4.814 ( 7.291 5.635 0.616) 9.235 5.777 ( -15.036 0.841 2.981) 15.351 5.888 ( -9.242 -0.508 -0.954) 9.305 6.195 ( -8.969 0.716 2.123) 9.245 6.391 ( -12.904 0.662 4.684) 13.743 6.717 ( 4.216 -2.394 -3.458) 5.955 7.005 ( 3.794 0.464 0.656) 3.879 7.598 ( -5.828 -21.029 -8.320) 23.354 8.012 ( 7.821 -17.734 16.444) 25.418 9.413 ( -13.405 11.298 0.100) 17.531 9.488 ( -5.788 -3.444 12.652) 14.333 9.634 ( -10.712 8.121 7.601) 15.443 10.144 ( -0.525 4.997 -2.595) 5.655 10.608 ( 3.939 -10.726 0.407) 11.433 10.898 ( -1.196 8.642 0.910) 8.771 11.460 ( 16.646 -1.840 -16.935) 23.818 11.934 ( 21.358 3.524 6.809) 22.693 13.116 ( -6.128 10.251 -1.473) 12.033 13.375 ( -7.975 -8.248 11.037) 15.919 13.476 ( -1.391 4.177 -5.858) 7.328 13.959 ( 12.895 5.645 -5.940) 15.279 17.782 ( -12.851 1.534 -11.581) 17.367 18.433 ( 11.692 1.744 8.847) 14.765 19.150 ( -7.285 -0.470 -0.092) 7.301 19.780 ( -0.322 -0.328 1.615) 1.679 21.000 ( -17.693 -9.680 -13.486) 24.262 22.579 ( 26.135 3.374 9.831) 28.126 23.294 ( -6.965 3.827 -2.106) 8.221 23.857 ( 8.857 1.016 3.510) 9.581 ======================= Grid point 565 (286/361) ======================= q-point: ( 0.40 -0.60 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( -11.325 -0.000 8.695) 14.278 2.960 ( 6.367 0.000 2.049) 6.689 3.086 ( -5.306 -0.000 -2.862) 6.029 3.162 ( -9.804 -0.000 3.314) 10.350 3.389 ( 1.196 0.000 3.797) 3.981 3.984 ( 3.387 0.000 8.930) 9.551 4.449 ( 8.330 0.000 0.119) 8.331 4.521 ( -7.449 -0.000 -1.734) 7.648 5.338 ( 3.964 0.000 11.953) 12.593 5.752 ( 1.438 0.000 4.739) 4.952 6.162 ( -4.292 -0.000 21.037) 21.470 6.263 ( 5.332 0.000 -1.503) 5.540 6.292 ( -9.239 -0.000 5.459) 10.731 6.420 ( -3.789 -0.000 9.334) 10.074 7.340 ( -9.271 -0.000 -8.410) 12.517 7.342 ( 4.216 0.000 -7.754) 8.826 9.056 ( 5.350 0.000 6.511) 8.428 9.409 ( -11.087 -0.000 18.678) 21.720 9.745 ( -22.220 -0.000 18.908) 29.176 10.143 ( 10.289 0.000 2.945) 10.703 11.248 ( 1.894 0.000 -19.801) 19.891 11.382 ( 13.178 0.000 -22.693) 26.242 12.144 ( 14.199 0.000 -8.697) 16.651 12.308 ( -12.095 -0.000 -0.955) 12.132 12.929 ( 11.900 0.000 5.101) 12.947 13.029 ( -7.453 -0.000 6.403) 9.826 13.667 ( 5.067 0.000 -6.359) 8.130 14.146 ( -10.017 -0.000 5.045) 11.216 17.779 ( 3.480 0.000 21.405) 21.686 17.897 ( 5.593 0.000 -20.052) 20.817 19.645 ( -9.899 -0.000 -11.486) 15.163 19.797 ( -4.425 -0.000 -1.529) 4.682 20.651 ( 34.368 0.000 -0.706) 34.375 22.116 ( -12.758 -0.000 5.363) 13.839 24.043 ( -4.488 -0.000 -6.071) 7.549 24.207 ( -11.395 -0.000 -1.284) 11.467 ======================= Grid point 567 (287/361) ======================= q-point: (-0.50 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( -9.007 2.539 7.444) 11.958 2.956 ( -3.444 6.113 3.631) 7.900 3.005 ( -5.762 -1.959 -1.225) 6.208 3.194 ( 3.897 -6.975 1.043) 8.058 3.428 ( 0.072 -0.980 -0.072) 0.985 4.178 ( 0.793 0.469 13.132) 13.164 4.312 ( -3.122 4.175 -10.932) 12.111 4.634 ( 10.927 -3.796 0.320) 11.572 5.535 ( 2.960 -0.696 10.709) 11.133 5.812 ( -2.904 -4.303 5.387) 7.481 6.306 ( -0.145 0.263 7.902) 7.907 6.359 ( 4.071 -2.456 3.464) 5.883 6.390 ( -1.291 0.510 20.002) 20.050 6.518 ( -0.816 -1.829 9.111) 9.328 7.107 ( -8.872 1.047 -6.632) 11.126 7.338 ( 4.157 -5.640 -8.138) 10.739 9.261 ( 6.830 -2.382 9.743) 12.135 9.468 ( -13.148 0.778 19.320) 23.383 9.658 ( -23.348 0.481 19.568) 30.468 10.303 ( 10.761 3.159 1.062) 11.265 10.989 ( 0.802 5.309 -19.002) 19.746 11.304 ( 13.250 -0.165 -19.740) 23.775 12.092 ( -13.151 1.156 -4.447) 13.931 12.109 ( 6.970 8.461 -13.702) 17.548 13.013 ( -4.995 0.153 7.275) 8.826 13.212 ( 14.604 -6.137 2.022) 15.970 13.679 ( 4.427 0.547 -2.165) 4.958 14.004 ( -16.014 1.147 3.173) 16.365 17.821 ( 10.047 -0.243 -8.808) 13.364 18.122 ( 4.495 -4.797 18.190) 19.341 19.325 ( -10.261 2.466 -11.561) 15.653 19.707 ( -4.310 -2.722 -5.556) 7.540 21.150 ( 37.720 2.153 -1.048) 37.796 21.974 ( -16.843 -2.801 2.404) 17.242 23.871 ( -5.318 3.566 -5.221) 8.262 24.018 ( -11.488 -0.851 -4.089) 12.224 ======================= Grid point 568 (288/361) ======================= q-point: (-0.40 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -0.029 3.358 8.043) 8.715 2.903 ( -5.092 0.141 3.860) 6.391 2.996 ( 2.712 -1.164 0.689) 3.030 3.224 ( -3.271 -1.494 -4.173) 5.508 3.483 ( 5.121 -0.431 2.009) 5.518 4.024 ( -12.827 0.364 -5.357) 13.905 4.388 ( 8.207 0.929 3.958) 9.159 4.790 ( 10.159 -0.545 -3.508) 10.762 5.694 ( 0.484 -1.321 9.280) 9.386 5.898 ( -2.643 -7.810 4.496) 9.391 6.373 ( -1.999 1.788 5.156) 5.812 6.498 ( 4.874 -4.021 3.032) 7.008 6.599 ( -2.007 0.278 10.589) 10.781 6.680 ( 1.076 -6.107 13.113) 14.505 6.924 ( -6.635 -0.842 0.364) 6.698 7.354 ( 4.486 -7.160 -8.831) 12.222 9.485 ( -9.466 1.247 13.415) 16.466 9.512 ( 2.675 -2.395 9.666) 10.311 9.589 ( -22.942 -0.272 25.275) 34.135 10.401 ( 7.636 7.098 -0.046) 10.426 10.733 ( -1.854 3.356 -14.137) 14.648 11.269 ( 13.448 0.247 -16.331) 21.157 11.805 ( -10.233 7.328 -7.088) 14.445 11.927 ( 7.099 10.803 -14.042) 19.086 13.048 ( -5.610 -4.087 7.242) 10.031 13.450 ( 8.241 -8.861 -4.203) 12.810 13.750 ( 8.442 6.153 3.023) 10.875 13.771 ( -15.537 2.419 1.794) 15.826 17.949 ( 12.450 -0.404 1.888) 12.598 18.353 ( -3.035 -1.745 6.399) 7.294 19.108 ( -2.897 -4.390 -5.186) 7.386 19.599 ( -0.330 -1.669 -8.426) 8.596 21.575 ( 10.826 6.214 1.871) 12.622 21.795 ( 2.817 -6.490 -4.457) 8.362 23.725 ( -5.638 1.594 -2.684) 6.445 23.816 ( -6.953 2.899 -3.407) 8.268 ======================= Grid point 569 (289/361) ======================= q-point: (-0.30 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 0.970 2.737 8.403) 8.890 2.953 ( 4.325 -1.307 4.419) 6.320 3.078 ( 5.305 0.496 -0.300) 5.337 3.117 ( -2.548 -2.534 -4.661) 5.885 3.531 ( -1.042 4.082 1.207) 4.382 3.834 ( -5.653 -4.012 -4.760) 8.409 4.499 ( 3.613 1.993 1.401) 4.358 4.845 ( 8.171 2.676 -5.834) 10.390 5.804 ( -2.920 -1.927 8.369) 9.071 5.939 ( -6.568 -6.429 0.507) 9.204 6.334 ( -5.529 2.861 1.016) 6.308 6.567 ( -13.024 1.898 4.708) 13.979 6.624 ( 5.737 -2.966 -0.913) 6.523 6.783 ( -4.050 -8.703 5.565) 11.096 7.183 ( 12.259 -10.839 13.824) 21.421 7.368 ( 4.010 -7.207 -8.347) 11.735 9.431 ( -12.533 0.457 10.556) 16.392 9.601 ( -15.910 0.653 19.489) 25.167 9.730 ( -0.030 -0.970 13.465) 13.500 10.371 ( -1.008 7.048 -2.458) 7.532 10.508 ( -5.408 0.263 -10.049) 11.415 11.254 ( 10.799 5.465 -11.652) 16.800 11.542 ( -1.566 8.012 -7.908) 11.366 11.846 ( 15.779 9.820 -7.184) 19.925 13.106 ( -7.502 -8.193 7.899) 13.631 13.474 ( -7.406 2.275 0.463) 7.762 13.537 ( -7.231 -4.760 -6.213) 10.656 13.944 ( 17.110 8.404 3.409) 19.364 18.139 ( -3.396 2.778 -1.047) 4.510 18.241 ( 3.146 0.129 -1.008) 3.306 19.164 ( -0.545 -4.043 3.613) 5.449 19.577 ( 9.411 -4.651 -7.045) 12.643 21.283 ( -27.797 -2.933 -5.275) 28.444 22.170 ( 33.593 1.417 -1.320) 33.649 23.570 ( -8.745 4.991 0.238) 10.072 23.754 ( 2.405 0.487 0.496) 2.503 ======================= Grid point 570 (290/361) ======================= q-point: (-0.20 -0.60 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( -6.510 -1.923 10.235) 12.281 3.034 ( 6.663 4.844 -7.444) 11.103 3.132 ( 7.818 -2.272 3.116) 8.717 3.168 ( 0.941 -2.055 3.197) 3.915 3.459 ( -1.982 -0.172 -2.297) 3.038 3.792 ( 0.761 0.726 -1.385) 1.740 4.474 ( 1.677 6.123 -4.387) 7.717 4.868 ( 5.580 1.045 -2.594) 6.242 5.802 ( -11.143 0.628 -0.065) 11.161 5.858 ( -8.203 -2.940 2.404) 9.039 6.219 ( -8.537 2.103 0.965) 8.845 6.406 ( -14.500 1.143 4.562) 15.244 6.685 ( 4.588 -1.318 -3.731) 6.059 6.911 ( -0.496 -11.582 4.150) 12.313 7.334 ( 3.329 -5.783 -9.521) 11.626 7.691 ( 13.280 -16.461 10.841) 23.767 9.422 ( -9.222 -3.380 10.651) 14.489 9.552 ( -13.250 4.619 8.761) 16.542 9.798 ( -12.085 8.082 12.658) 19.277 10.229 ( -1.560 4.537 -4.200) 6.376 10.384 ( -4.883 -10.930 -5.032) 12.986 11.153 ( 1.975 15.691 0.406) 15.820 11.460 ( 14.873 2.111 -15.312) 21.450 12.018 ( 20.634 5.361 2.408) 21.454 13.155 ( -11.426 -8.853 5.921) 15.620 13.323 ( -5.799 5.924 4.685) 9.522 13.463 ( -2.245 -4.722 -6.605) 8.424 14.121 ( 16.266 10.356 -0.386) 19.287 17.809 ( -13.984 1.319 -13.098) 19.205 18.465 ( 10.395 1.675 9.339) 14.074 19.171 ( -0.546 2.953 -0.205) 3.010 19.736 ( 7.823 -4.653 0.135) 9.103 20.840 ( -24.359 -7.235 -10.480) 27.487 22.602 ( 28.710 -0.743 -0.112) 28.720 23.410 ( -7.523 8.561 2.119) 11.592 23.861 ( 6.697 -0.734 5.578) 8.747 ======================= Grid point 571 (291/361) ======================= q-point: (-0.10 -0.60 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( -11.358 -5.060 10.786) 16.461 2.942 ( -2.056 6.609 -6.406) 9.431 3.165 ( -0.540 -1.997 -1.704) 2.680 3.337 ( 9.114 0.560 2.658) 9.510 3.472 ( 2.476 -3.375 1.859) 4.580 3.787 ( 5.167 5.828 -1.153) 7.873 4.389 ( 5.969 6.398 -6.098) 10.666 4.903 ( 0.231 -1.314 0.171) 1.345 5.563 ( -14.063 4.282 -2.313) 14.881 5.755 ( -12.416 1.227 1.587) 12.577 6.065 ( -10.954 1.598 -0.724) 11.094 6.283 ( -11.404 -0.748 6.063) 12.937 6.698 ( 2.517 -2.569 -4.757) 5.963 7.051 ( 2.409 -5.364 2.016) 6.215 7.327 ( 4.049 -9.045 -9.206) 13.526 8.096 ( 6.769 -16.228 4.919) 18.258 9.324 ( -17.324 9.456 3.764) 20.092 9.512 ( -4.675 -4.300 10.414) 12.198 9.651 ( -10.082 8.541 7.142) 15.020 10.054 ( -11.443 2.656 -4.248) 12.491 10.484 ( 4.896 -13.564 -0.628) 14.435 11.137 ( 4.981 9.292 8.647) 13.636 11.482 ( 18.121 -0.752 -18.473) 25.888 12.326 ( 18.750 2.248 4.461) 19.404 13.083 ( -4.750 1.693 -0.076) 5.043 13.341 ( -7.245 -4.231 9.012) 12.313 13.381 ( -2.314 0.571 -3.144) 3.945 14.193 ( 13.482 13.653 -4.431) 19.693 17.480 ( -12.443 -0.701 -7.275) 14.431 18.710 ( 9.178 -0.980 8.042) 12.242 19.118 ( 1.914 6.727 -2.506) 7.429 19.752 ( -10.641 3.412 2.797) 11.519 20.566 ( -4.922 -12.129 -12.067) 17.803 22.996 ( 22.180 -7.385 -0.375) 23.380 23.237 ( -8.259 12.329 2.641) 15.073 24.078 ( 9.590 1.172 9.817) 13.774 ======================= Grid point 577 (292/361) ======================= q-point: (-0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 1.656 0.000 6.923) 7.119 2.898 ( -4.671 -0.000 0.435) 4.692 2.983 ( 0.703 -0.000 1.382) 1.551 3.215 ( -2.192 -0.000 -2.491) 3.318 3.481 ( 7.111 -0.000 4.291) 8.305 4.024 ( -18.528 -0.000 -3.368) 18.832 4.397 ( 9.390 0.000 2.122) 9.626 4.783 ( 12.064 -0.000 -3.056) 12.445 5.677 ( 0.317 -0.000 8.683) 8.689 5.818 ( -2.789 -0.000 5.257) 5.951 6.388 ( -1.041 -0.000 4.996) 5.103 6.451 ( 2.892 -0.000 4.526) 5.371 6.609 ( -1.530 0.000 8.548) 8.684 6.630 ( 0.932 -0.000 15.153) 15.181 6.918 ( -8.236 -0.000 -0.653) 8.262 7.291 ( 8.436 -0.000 -10.529) 13.492 9.481 ( 7.276 0.000 10.380) 12.676 9.505 ( -13.409 -0.000 14.066) 19.433 9.587 ( -25.338 -0.000 26.510) 36.671 10.468 ( 9.278 -0.000 -1.520) 9.401 10.761 ( -3.399 -0.000 -17.388) 17.717 11.271 ( 14.485 -0.000 -16.363) 21.853 11.880 ( -9.135 -0.000 -4.647) 10.249 12.035 ( 5.171 0.000 -15.294) 16.144 13.012 ( -6.236 -0.000 6.199) 8.793 13.345 ( 8.925 0.000 -4.747) 10.108 13.797 ( -19.306 -0.000 3.757) 19.669 13.812 ( 11.515 -0.000 4.454) 12.347 17.945 ( 12.794 -0.000 2.583) 13.052 18.335 ( -0.774 -0.000 9.165) 9.197 19.068 ( -5.837 -0.000 -6.694) 8.881 19.582 ( 0.550 -0.000 -8.673) 8.690 21.678 ( -23.082 -0.000 -2.504) 23.217 21.690 ( 38.569 0.000 -1.926) 38.617 23.739 ( -6.731 -0.000 -2.437) 7.159 23.843 ( -6.917 -0.000 -3.102) 7.581 ======================= Grid point 579 (293/361) ======================= q-point: (-0.40 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 2.794 5.111 5.528) 8.031 2.896 ( 2.005 -4.685 3.729) 6.314 3.057 ( 3.080 -0.745 4.570) 5.561 3.121 ( 3.120 0.616 -8.965) 9.513 3.624 ( -0.896 5.507 4.147) 6.952 3.741 ( -11.136 -5.478 -2.149) 12.595 4.522 ( 5.571 0.599 0.849) 5.667 4.870 ( 9.073 0.402 -6.742) 11.311 5.762 ( -2.870 -1.761 6.616) 7.424 5.837 ( -4.944 -3.582 2.436) 6.573 6.373 ( -5.108 1.231 0.369) 5.268 6.547 ( 2.463 -3.532 1.789) 4.663 6.609 ( -11.695 2.090 3.641) 12.426 6.683 ( -4.542 -2.535 6.096) 8.013 7.058 ( 11.436 -3.256 11.547) 16.574 7.300 ( 9.944 -1.341 -10.544) 14.556 9.436 ( -15.297 0.088 10.773) 18.710 9.609 ( -21.398 0.290 27.177) 34.591 9.713 ( 5.753 -0.572 10.943) 12.376 10.458 ( -5.614 2.732 -8.764) 10.760 10.504 ( -3.401 -0.637 -9.739) 10.335 11.309 ( 18.225 1.135 -15.093) 23.690 11.711 ( -4.064 7.326 -2.078) 8.631 11.969 ( 11.673 2.957 -9.234) 15.175 12.997 ( -8.434 -3.134 5.975) 10.800 13.367 ( 1.764 -5.213 -6.410) 8.448 13.577 ( -16.364 2.134 4.326) 17.060 14.061 ( 15.972 3.499 4.531) 16.966 18.191 ( -1.613 2.625 -0.139) 3.084 18.229 ( 0.838 -1.452 -0.101) 1.680 19.108 ( 5.850 -1.735 7.268) 9.491 19.515 ( 7.174 -1.840 -10.563) 12.901 21.252 ( -28.118 -0.729 -7.122) 29.015 22.183 ( 35.149 0.266 -3.764) 35.351 23.647 ( -5.279 2.851 2.744) 6.597 23.750 ( -2.419 -0.723 -0.060) 2.526 ======================= Grid point 580 (294/361) ======================= q-point: (-0.30 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( -9.638 0.161 7.918) 12.475 3.076 ( 7.147 -1.634 1.242) 7.436 3.107 ( 4.458 1.581 -5.977) 7.622 3.155 ( 7.595 -0.648 2.194) 7.932 3.460 ( -5.066 0.356 -1.594) 5.323 3.797 ( 1.398 0.365 4.888) 5.097 4.555 ( 3.162 2.761 -3.234) 5.299 4.877 ( 5.129 0.173 -7.015) 8.692 5.777 ( -8.385 -2.920 -1.822) 9.064 5.794 ( -6.431 -3.322 4.887) 8.734 6.261 ( -8.653 1.975 1.455) 8.995 6.439 ( -13.783 2.316 2.925) 14.279 6.645 ( 5.680 -5.245 -3.208) 8.371 6.711 ( -5.117 -5.366 4.349) 8.597 7.315 ( 9.412 1.045 -8.867) 12.973 7.443 ( 15.741 -9.955 6.653) 19.778 9.372 ( -13.378 -1.996 10.190) 16.935 9.607 ( -18.271 1.782 18.430) 26.013 9.898 ( -1.868 3.123 12.769) 13.278 10.200 ( -15.664 -5.704 -5.056) 17.420 10.348 ( 1.353 4.451 -9.373) 10.464 11.348 ( 16.147 4.301 -14.538) 22.149 11.583 ( 0.127 11.019 -0.552) 11.034 12.103 ( 18.276 3.015 -0.227) 18.524 12.992 ( -9.950 -7.013 7.033) 14.059 13.349 ( -1.209 -6.332 -5.323) 8.360 13.423 ( -8.830 3.869 4.548) 10.659 14.283 ( 15.792 6.551 1.570) 17.169 17.828 ( -14.916 0.679 -14.518) 20.827 18.490 ( 9.477 1.011 9.728) 13.619 19.257 ( 6.082 6.121 2.912) 9.107 19.617 ( 12.843 -7.766 -3.196) 15.345 20.745 ( -29.015 -3.197 -9.959) 30.843 22.573 ( 27.899 -1.766 -6.865) 28.785 23.579 ( -3.988 9.229 5.513) 11.466 23.824 ( 3.953 -3.517 6.983) 8.761 ======================= Grid point 581 (295/361) ======================= q-point: (-0.20 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -11.757 -3.007 9.944) 15.689 2.955 ( -15.019 -4.959 -2.593) 16.027 3.176 ( 8.623 2.740 -1.591) 9.186 3.363 ( 13.242 -0.129 1.348) 13.311 3.451 ( 2.729 3.340 0.910) 4.408 3.870 ( 4.939 2.985 2.965) 6.488 4.499 ( 5.065 5.089 -7.541) 10.412 4.852 ( -1.565 -2.874 -2.942) 4.400 5.622 ( -8.148 1.532 -3.501) 9.000 5.746 ( -10.765 -2.152 2.219) 11.200 6.129 ( -9.365 4.649 0.695) 10.478 6.273 ( -12.657 -0.099 4.713) 13.507 6.661 ( 1.027 -1.471 -5.335) 5.629 6.829 ( 3.084 -14.021 1.823) 14.472 7.312 ( 8.147 3.405 -7.770) 11.762 7.816 ( 12.961 -13.741 0.779) 18.906 9.316 ( -16.022 -5.718 6.461) 18.197 9.547 ( -9.971 3.969 11.184) 15.501 9.843 ( -12.396 10.631 8.572) 18.443 9.995 ( -17.831 -5.474 0.681) 18.665 10.356 ( 10.002 -2.199 -2.297) 10.495 11.334 ( 7.221 8.713 -3.519) 11.851 11.506 ( 7.995 5.079 -9.180) 13.191 12.371 ( 18.335 2.062 2.626) 18.636 13.011 ( -7.960 -6.423 5.841) 11.778 13.316 ( -2.277 -2.625 -2.509) 4.286 13.373 ( -3.244 1.124 4.629) 5.763 14.416 ( 14.058 9.950 -2.496) 17.403 17.468 ( -13.015 -0.560 -9.049) 15.862 18.694 ( 8.257 -0.651 2.961) 8.796 19.282 ( 7.673 10.920 -0.764) 13.368 19.782 ( -2.580 -0.654 2.458) 3.623 20.343 ( -13.168 -11.395 -9.199) 19.694 22.847 ( 19.546 -7.298 -9.035) 22.736 23.496 ( -4.066 13.983 6.739) 16.046 24.073 ( 9.492 -1.771 11.987) 15.393 ======================= Grid point 582 (296/361) ======================= q-point: (-0.10 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( -18.997 -6.244 6.543) 21.040 2.732 ( -13.347 -2.233 -1.326) 13.597 3.242 ( 5.332 3.272 0.808) 6.308 3.441 ( 4.195 4.299 -1.011) 6.092 3.557 ( 5.273 -1.814 4.938) 7.448 3.950 ( 8.239 7.694 0.798) 11.301 4.461 ( 9.331 3.596 -7.428) 12.456 4.810 ( -8.004 -4.568 1.620) 9.357 5.457 ( -5.760 6.372 -1.254) 8.680 5.593 ( -11.163 0.755 -1.352) 11.270 5.929 ( -9.638 4.657 -1.685) 10.836 6.212 ( -9.074 -1.096 7.701) 11.952 6.606 ( -1.587 -3.827 -6.212) 7.467 7.043 ( 5.242 -10.460 1.694) 11.822 7.309 ( 9.885 2.314 -7.414) 12.571 8.038 ( 3.180 -12.645 -3.360) 13.464 9.165 ( -19.229 0.138 5.661) 20.046 9.557 ( -6.143 1.230 10.990) 12.650 9.688 ( -6.938 7.940 5.923) 12.094 9.840 ( -10.721 -5.460 -0.078) 12.031 10.493 ( 5.100 -2.946 0.975) 5.970 11.345 ( 0.969 4.998 6.690) 8.407 11.482 ( 15.516 -1.041 -18.450) 24.129 12.587 ( 10.918 2.222 -0.275) 11.145 13.014 ( -5.189 -3.432 1.843) 6.489 13.264 ( -3.311 -0.533 -2.263) 4.046 13.427 ( 0.891 -1.135 7.301) 7.442 14.437 ( 12.053 13.685 -6.177) 19.254 17.286 ( -8.148 -1.179 3.270) 8.859 18.800 ( 7.383 -4.651 -9.483) 12.886 19.262 ( 4.155 12.159 2.079) 13.017 19.615 ( -12.922 2.669 1.352) 13.264 20.371 ( 4.494 -11.398 -3.026) 12.620 23.034 ( 10.296 -8.826 -9.352) 16.473 23.387 ( -2.636 14.061 6.824) 15.850 24.377 ( 9.841 0.945 12.273) 15.759 ======================= Grid point 589 (297/361) ======================= q-point: (-0.40 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( -11.417 -0.000 6.747) 13.262 3.058 ( 6.909 0.000 1.789) 7.137 3.129 ( -0.602 -0.000 2.232) 2.312 3.136 ( 12.785 0.000 -8.368) 15.280 3.466 ( -4.015 -0.000 0.046) 4.015 3.804 ( 1.449 0.000 6.972) 7.121 4.579 ( 3.505 0.000 -2.483) 4.295 4.878 ( 5.250 0.000 -8.406) 9.911 5.746 ( -6.806 -0.000 -1.071) 6.890 5.755 ( -6.284 -0.000 4.510) 7.734 6.280 ( -9.174 -0.000 1.793) 9.348 6.469 ( -12.012 -0.000 0.991) 12.053 6.568 ( 1.775 0.000 0.168) 1.783 6.685 ( -2.897 -0.000 2.486) 3.817 7.328 ( 11.143 0.000 -8.853) 14.232 7.349 ( 16.205 0.000 4.917) 16.934 9.353 ( -15.017 -0.000 10.160) 18.131 9.623 ( -20.909 -0.000 22.259) 30.539 9.925 ( 3.564 0.000 11.552) 12.089 10.145 ( -17.319 -0.000 -6.101) 18.363 10.396 ( 0.008 0.000 -9.386) 9.386 11.377 ( 19.585 0.000 -18.944) 27.248 11.716 ( -4.045 -0.000 3.592) 5.410 12.121 ( 16.615 0.000 -0.689) 16.630 12.928 ( -8.350 -0.000 6.424) 10.535 13.279 ( -0.921 -0.000 -4.515) 4.608 13.460 ( -10.078 -0.000 5.121) 11.305 14.344 ( 15.408 0.000 2.036) 15.542 17.834 ( -15.258 -0.000 -15.079) 21.452 18.500 ( 9.186 0.000 9.872) 13.485 19.346 ( 9.349 0.000 10.679) 14.193 19.512 ( 13.612 0.000 -10.821) 17.389 20.718 ( -30.338 -0.000 -10.141) 31.988 22.554 ( 27.314 0.000 -8.968) 28.749 23.719 ( -2.425 -0.000 2.866) 3.754 23.739 ( 2.991 0.000 11.160) 11.554 ======================= Grid point 590 (298/361) ======================= q-point: (-0.30 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -11.729 -0.244 9.476) 15.080 2.856 ( -20.781 -3.996 -1.699) 21.230 3.213 ( 9.089 1.193 -4.732) 10.316 3.328 ( 13.298 -1.812 1.629) 13.520 3.555 ( 9.379 4.656 2.264) 10.713 3.897 ( 2.763 0.257 5.485) 6.147 4.562 ( 3.551 1.756 -6.177) 7.338 4.819 ( -0.638 -0.760 -6.134) 6.214 5.628 ( -4.976 -0.280 -3.810) 6.273 5.701 ( -9.315 -1.807 2.913) 9.926 6.190 ( -9.316 1.404 5.553) 10.936 6.287 ( -11.983 1.285 -0.906) 12.086 6.639 ( 6.898 -5.189 -1.783) 8.815 6.646 ( -3.970 -0.849 -1.164) 4.223 7.374 ( 10.076 2.498 -6.558) 12.279 7.624 ( 15.908 -6.277 -2.762) 17.323 9.233 ( -16.925 -2.605 3.893) 17.561 9.589 ( -15.039 0.935 16.041) 22.009 9.881 ( -20.836 -2.111 6.526) 21.936 10.030 ( -8.683 4.408 9.424) 13.551 10.344 ( 11.306 0.140 -7.418) 13.523 11.400 ( 17.811 0.835 -18.382) 25.609 11.649 ( -8.281 6.315 4.950) 11.531 12.381 ( 16.685 -0.623 1.841) 16.797 12.939 ( -3.743 -1.015 6.849) 7.871 13.236 ( -1.591 -3.879 -2.048) 4.666 13.407 ( -5.363 1.254 4.533) 7.133 14.540 ( 14.052 3.488 -1.791) 14.589 17.461 ( -13.259 -0.200 -10.041) 16.633 18.686 ( 8.067 -0.194 -0.165) 8.071 19.501 ( 11.339 12.421 1.649) 16.899 19.703 ( 9.809 -8.329 1.659) 12.974 20.190 ( -26.065 -4.442 -8.754) 27.852 22.753 ( 18.585 -2.715 -11.586) 22.068 23.703 ( -2.706 7.398 6.486) 10.204 24.023 ( 10.137 -2.797 13.782) 17.336 ======================= Grid point 591 (299/361) ======================= q-point: (-0.20 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -21.393 -7.434 3.032) 22.850 2.683 ( -15.839 -2.366 5.090) 16.804 3.242 ( 1.522 -0.993 -0.347) 1.850 3.527 ( 8.298 -1.390 2.855) 8.885 3.611 ( 8.244 10.487 -2.221) 13.524 4.043 ( 8.429 2.197 5.471) 10.286 4.526 ( 7.784 3.092 -7.905) 11.517 4.743 ( -5.525 -2.370 0.085) 6.013 5.523 ( -1.988 1.198 -4.699) 5.241 5.588 ( -10.129 -0.424 -0.226) 10.141 6.027 ( -9.808 4.540 -3.860) 11.476 6.199 ( -8.995 -0.093 10.524) 13.845 6.554 ( -2.777 -1.700 -6.555) 7.319 6.832 ( 9.664 -9.967 1.227) 13.937 7.401 ( 9.900 6.047 -5.378) 12.787 7.822 ( 9.599 -10.467 -7.397) 16.013 9.059 ( -17.389 -7.628 2.604) 19.166 9.602 ( -9.403 1.896 14.720) 17.569 9.728 ( -20.041 -4.489 10.172) 22.919 9.881 ( -8.641 10.618 2.142) 13.856 10.477 ( 10.601 -0.492 -0.848) 10.647 11.425 ( 13.210 1.808 -10.590) 17.026 11.523 ( -4.876 5.535 -0.471) 7.392 12.601 ( 10.404 -0.685 -0.195) 10.428 12.960 ( -3.993 -0.766 3.050) 5.082 13.237 ( -0.723 -3.191 -2.120) 3.898 13.404 ( -1.937 -0.782 4.625) 5.074 14.631 ( 12.877 7.296 -6.378) 16.116 17.269 ( -7.179 -0.646 3.593) 8.054 18.727 ( 8.379 -2.961 -14.562) 17.060 19.523 ( 3.729 15.926 2.241) 16.509 19.652 ( -13.273 1.381 0.587) 13.358 20.128 ( 5.459 -14.987 0.395) 15.956 22.883 ( 14.605 -6.226 -10.942) 19.283 23.651 ( -4.710 12.492 7.490) 15.307 24.364 ( 10.796 -1.955 11.547) 15.928 ======================= Grid point 592 (300/361) ======================= q-point: (-0.10 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -21.165 -4.469 -1.112) 21.660 2.503 ( -21.330 -9.513 7.596) 24.560 3.311 ( 1.954 -2.105 4.017) 4.938 3.568 ( 6.313 9.722 -4.359) 12.384 3.668 ( 5.317 -1.752 2.248) 6.033 4.138 ( -0.144 10.038 5.280) 11.343 4.534 ( 6.827 2.885 -4.980) 8.929 4.737 ( -0.230 -0.904 3.848) 3.960 5.406 ( -3.111 0.956 -8.195) 8.817 5.456 ( -5.307 1.437 0.718) 5.545 5.839 ( -6.762 3.350 1.096) 7.625 6.217 ( -5.165 2.504 8.442) 10.208 6.460 ( -2.680 -3.456 -4.612) 6.356 7.054 ( 5.378 -7.710 0.039) 9.401 7.422 ( 12.239 6.022 -7.349) 15.494 7.920 ( 1.732 -9.257 -2.230) 9.678 8.946 ( -18.543 -6.525 8.176) 21.290 9.611 ( -4.251 0.570 4.739) 6.392 9.666 ( -14.368 -3.224 10.335) 17.990 9.744 ( -2.166 3.770 3.515) 5.591 10.572 ( 3.774 3.239 0.152) 4.976 11.381 ( -6.109 2.398 -1.159) 6.665 11.503 ( 15.545 0.130 -10.623) 18.828 12.662 ( 0.608 0.102 -2.402) 2.480 12.928 ( -4.156 -2.867 -0.316) 5.059 13.192 ( -2.364 0.732 -3.044) 3.923 13.493 ( 1.466 -5.907 4.510) 7.575 14.618 ( 11.836 10.645 -10.496) 19.068 17.359 ( 1.119 2.089 16.776) 16.942 18.615 ( 3.891 -6.099 -22.303) 23.447 19.426 ( -2.158 8.251 5.846) 10.340 19.581 ( 3.242 5.594 -1.276) 6.590 20.330 ( 2.651 -10.587 1.488) 11.015 23.001 ( 10.723 -4.675 -8.733) 14.598 23.530 ( -5.929 13.739 5.903) 16.086 24.615 ( 5.373 -1.650 6.596) 8.666 ======================= Grid point 600 (301/361) ======================= q-point: (-0.30 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -22.758 -0.000 1.538) 22.810 2.661 ( -16.424 -0.000 7.374) 18.003 3.232 ( 0.748 0.000 -1.383) 1.573 3.513 ( 9.251 0.000 2.516) 9.587 3.725 ( 9.622 0.000 -3.577) 10.266 4.051 ( 8.317 0.000 7.535) 11.223 4.557 ( 6.795 0.000 -6.386) 9.325 4.723 ( -4.478 -0.000 -1.269) 4.654 5.527 ( -0.472 -0.000 -7.174) 7.190 5.586 ( -9.394 -0.000 1.409) 9.499 6.068 ( -10.119 -0.000 -5.775) 11.651 6.202 ( -8.657 -0.000 12.722) 15.388 6.541 ( -3.688 -0.000 -5.991) 7.035 6.734 ( 10.482 0.000 0.692) 10.505 7.477 ( 10.301 0.000 -2.138) 10.521 7.704 ( 12.403 0.000 -11.723) 17.067 8.981 ( -17.529 -0.000 0.275) 17.532 9.617 ( -12.867 -0.000 19.020) 22.964 9.690 ( -21.164 -0.000 11.426) 24.051 9.991 ( -8.761 -0.000 1.555) 8.898 10.470 ( 12.414 0.000 -2.051) 12.582 11.440 ( 17.785 0.000 -15.450) 23.558 11.585 ( -12.702 -0.000 5.679) 13.914 12.588 ( 10.382 0.000 0.185) 10.384 12.971 ( -1.378 -0.000 0.334) 1.418 13.186 ( -1.727 -0.000 0.876) 1.936 13.400 ( -2.844 -0.000 2.975) 4.116 14.698 ( 13.192 0.000 -6.546) 14.726 17.263 ( -6.828 -0.000 3.741) 7.785 18.699 ( 8.521 0.000 -16.674) 18.725 19.663 ( -16.227 -0.000 0.673) 16.241 19.799 ( 5.253 0.000 6.616) 8.448 19.863 ( 7.239 0.000 -2.949) 7.817 22.825 ( 15.122 0.000 -11.452) 18.969 23.778 ( -4.667 -0.000 8.450) 9.654 24.337 ( 11.579 0.000 10.598) 15.697 ======================= Grid point 601 (302/361) ======================= q-point: (-0.20 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -20.483 -5.023 6.329) 22.019 2.397 ( -26.903 -2.200 0.763) 27.003 3.280 ( 2.672 -0.856 4.771) 5.535 3.638 ( 4.556 -0.556 0.980) 4.693 3.725 ( 6.284 4.959 -8.529) 11.697 4.258 ( 0.609 2.993 11.412) 11.814 4.593 ( 7.837 2.651 -4.167) 9.263 4.715 ( 3.754 -1.095 2.772) 4.794 5.389 ( -3.261 -1.171 -12.820) 13.280 5.482 ( -4.627 0.824 -0.379) 4.715 5.882 ( -7.756 1.097 -0.033) 7.834 6.276 ( -4.402 2.815 13.878) 14.829 6.415 ( -2.213 -1.459 -6.391) 6.919 6.917 ( 9.921 -5.056 -0.526) 11.148 7.570 ( 11.106 9.280 -5.578) 15.510 7.747 ( 7.737 -9.706 -5.499) 13.576 8.799 ( -16.732 -6.007 5.801) 18.700 9.556 ( -14.186 -2.014 6.103) 15.574 9.683 ( -13.715 1.040 21.885) 25.848 9.850 ( -5.998 4.668 -2.106) 7.887 10.600 ( 9.160 0.119 -2.577) 9.516 11.448 ( -13.103 2.769 3.188) 13.767 11.525 ( 17.085 1.480 -10.193) 19.949 12.661 ( 1.314 0.439 -2.278) 2.666 12.880 ( -5.263 -2.209 -5.567) 7.973 13.185 ( -1.857 -1.067 0.333) 2.168 13.414 ( -0.412 -2.123 2.070) 2.994 14.749 ( 12.580 3.617 -12.043) 17.787 17.388 ( 4.079 0.924 19.078) 19.531 18.527 ( 4.153 -2.747 -24.927) 25.419 19.502 ( -6.846 1.097 5.329) 8.745 19.791 ( 4.389 15.143 0.165) 15.767 20.093 ( 4.532 -14.635 1.383) 15.383 22.918 ( 15.159 -2.820 -9.941) 18.346 23.768 ( -7.177 8.745 8.893) 14.389 24.564 ( 5.837 -2.690 2.922) 7.060 ======================= Grid point 602 (303/361) ======================= q-point: (-0.10 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -23.609 -4.291 4.415) 24.399 2.233 ( -17.126 -11.731 12.220) 24.089 3.397 ( 4.861 0.376 3.016) 5.733 3.633 ( -0.265 4.287 -2.658) 5.051 3.707 ( 7.391 -2.546 -7.302) 10.697 4.220 ( -15.521 8.657 10.748) 20.769 4.550 ( -2.571 8.113 -3.554) 9.223 4.891 ( 10.831 0.122 -1.314) 10.911 5.233 ( 1.907 -3.724 -4.830) 6.390 5.458 ( 2.523 -0.853 -0.181) 2.670 5.844 ( -3.268 1.332 7.107) 7.935 6.270 ( 1.348 4.672 -2.685) 5.555 6.452 ( -0.728 0.809 12.114) 12.163 7.035 ( 1.709 -4.246 -2.532) 5.230 7.474 ( 4.836 3.907 -15.341) 16.553 7.966 ( 7.743 -1.817 9.809) 12.629 8.761 ( -14.879 -9.633 13.366) 22.200 9.490 ( -4.218 -7.176 -2.197) 8.608 9.672 ( -10.798 6.532 8.514) 15.223 9.805 ( -3.281 -0.377 10.984) 11.470 10.629 ( 1.407 5.011 -3.694) 6.383 11.233 ( -11.475 -0.197 -4.416) 12.296 11.626 ( 13.509 3.230 -5.880) 15.084 12.578 ( -6.183 -0.270 -2.562) 6.699 12.812 ( -2.917 -7.495 -2.781) 8.510 13.142 ( -3.137 1.721 -0.442) 3.605 13.481 ( 0.164 -6.652 1.850) 6.906 14.690 ( 11.087 6.467 -16.745) 21.098 17.750 ( 11.352 7.495 21.225) 25.210 18.334 ( 5.122 -7.498 -19.384) 21.405 19.550 ( 3.307 5.313 4.075) 7.468 19.680 ( 4.782 8.645 -5.069) 11.104 20.246 ( -2.277 -12.302 0.684) 12.530 23.045 ( 13.726 -1.813 -7.464) 15.729 23.626 ( -9.643 15.496 5.897) 19.181 24.612 ( -4.316 -6.642 -3.680) 8.734 ======================= Grid point 611 (304/361) ======================= q-point: (-0.20 -0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -27.077 -0.000 4.207) 27.402 2.109 ( -16.384 -0.000 12.846) 20.820 3.402 ( 6.106 0.000 3.983) 7.291 3.656 ( -1.376 -0.000 -1.700) 2.187 3.702 ( 7.303 0.000 -11.769) 13.851 4.300 ( -18.405 -0.000 13.350) 22.737 4.648 ( 0.976 0.000 -0.119) 0.983 4.876 ( 9.709 0.000 -7.379) 12.195 5.191 ( 5.141 0.000 -3.568) 6.258 5.450 ( 1.763 0.000 -2.701) 3.225 5.856 ( -3.900 -0.000 7.306) 8.282 6.321 ( 2.947 0.000 -6.151) 6.821 6.465 ( -1.234 -0.000 18.363) 18.404 6.980 ( 5.920 0.000 -4.215) 7.267 7.518 ( 0.856 0.000 -16.902) 16.924 7.950 ( 14.672 0.000 11.756) 18.801 8.648 ( -15.629 -0.000 12.264) 19.866 9.430 ( -9.184 -0.000 1.707) 9.341 9.754 ( -3.236 -0.000 -4.817) 5.803 9.789 ( -13.100 -0.000 24.488) 27.772 10.666 ( 8.015 0.000 -6.382) 10.245 11.247 ( -19.288 -0.000 -1.715) 19.364 11.670 ( 14.731 0.000 -5.737) 15.809 12.606 ( -4.142 -0.000 -4.290) 5.964 12.693 ( -6.492 -0.000 -2.873) 7.099 13.159 ( -3.219 -0.000 0.843) 3.328 13.418 ( 0.686 0.000 0.340) 0.766 14.749 ( 11.533 0.000 -17.862) 21.262 17.831 ( 15.935 0.000 24.916) 29.576 18.250 ( 2.520 0.000 -22.523) 22.663 19.574 ( 8.090 0.000 3.360) 8.761 19.878 ( -3.592 -0.000 -3.782) 5.216 20.043 ( 0.338 0.000 0.238) 0.414 23.017 ( 16.489 0.000 -8.440) 18.524 23.812 ( -9.444 -0.000 9.335) 13.279 24.523 ( -5.267 -0.000 -7.987) 9.567 ======================= Grid point 612 (305/361) ======================= q-point: (-0.10 -0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -11.045 -3.776 16.013) 19.816 2.142 ( -10.738 -6.329 18.234) 22.087 3.513 ( 5.776 3.333 -1.581) 6.854 3.569 ( -4.477 -0.461 -2.492) 5.144 3.683 ( 9.917 -2.811 -11.469) 15.420 4.123 ( -23.914 3.404 11.744) 26.859 4.554 ( -2.786 12.365 -5.164) 13.687 4.776 ( -2.791 -9.459 -8.179) 12.813 5.422 ( 5.994 3.883 -0.274) 7.147 5.540 ( 19.139 -4.123 5.858) 20.436 5.922 ( -4.153 0.165 11.713) 12.429 6.337 ( 9.594 3.071 -3.641) 10.711 6.685 ( 0.280 3.761 19.267) 19.633 6.969 ( -1.365 -0.943 -4.118) 4.440 7.285 ( -3.647 -0.869 -14.981) 15.443 8.285 ( 9.662 7.188 14.086) 18.532 8.695 ( -10.365 -10.744 19.224) 24.340 9.340 ( -4.751 -4.110 -2.885) 6.913 9.659 ( -1.056 2.260 -2.752) 3.714 9.933 ( -7.417 -0.036 21.546) 22.787 10.614 ( -2.822 10.315 -7.427) 13.020 10.939 ( -14.628 -9.194 -5.073) 18.007 11.746 ( 7.799 3.116 -7.332) 11.148 12.456 ( -6.403 2.245 -3.157) 7.483 12.699 ( -1.975 -8.439 5.020) 10.016 13.105 ( -3.105 1.006 -1.238) 3.491 13.445 ( 0.293 -3.581 0.022) 3.593 14.639 ( 9.509 2.880 -21.062) 23.288 18.030 ( 4.878 3.975 -14.408) 15.722 18.413 ( 22.102 -2.400 16.834) 27.886 19.625 ( -7.956 13.592 -7.723) 17.541 19.815 ( 19.985 -1.548 -1.182) 20.080 20.067 ( -7.956 -11.524 1.741) 14.112 23.158 ( 15.347 -0.408 -6.515) 16.678 23.683 ( -12.621 16.355 5.020) 21.260 24.272 ( -17.130 -12.247 -11.685) 24.082 ======================= Grid point 622 (306/361) ======================= q-point: (-0.10 -0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 1.452 0.000 19.869) 19.922 2.262 ( -5.034 -0.000 22.997) 23.542 3.396 ( -7.381 -0.000 -6.155) 9.611 3.644 ( 7.938 0.000 -12.185) 14.543 3.647 ( 10.036 0.000 -2.955) 10.462 3.966 ( -19.408 -0.000 11.665) 22.644 4.497 ( -0.830 -0.000 -14.333) 14.357 4.606 ( -4.034 -0.000 0.766) 4.106 5.459 ( 0.400 0.000 3.101) 3.127 5.920 ( 21.466 0.000 2.824) 21.651 6.008 ( -7.154 -0.000 14.849) 16.482 6.482 ( 13.087 0.000 -2.692) 13.361 6.876 ( -2.871 -0.000 -5.613) 6.305 6.964 ( -2.602 -0.000 23.693) 23.835 7.065 ( -2.558 -0.000 -9.108) 9.460 8.667 ( 9.792 0.000 13.059) 16.322 8.738 ( -11.744 -0.000 24.786) 27.427 9.224 ( -4.074 -0.000 -1.635) 4.390 9.626 ( 3.561 0.000 -7.009) 7.861 10.092 ( -11.487 -0.000 21.901) 24.730 10.555 ( -17.389 -0.000 3.108) 17.664 10.619 ( 5.757 0.000 -13.063) 14.275 11.664 ( -1.908 -0.000 -13.639) 13.772 12.366 ( -4.785 -0.000 -2.161) 5.250 12.747 ( -0.800 -0.000 10.657) 10.687 13.048 ( 0.926 0.000 -4.678) 4.769 13.431 ( -0.100 -0.000 -0.014) 0.101 14.505 ( 7.451 0.000 -21.044) 22.325 17.944 ( 7.363 0.000 -13.037) 14.973 18.932 ( 23.287 0.000 10.926) 25.723 19.386 ( -11.163 -0.000 -16.271) 19.732 19.870 ( -9.636 -0.000 -0.859) 9.674 20.191 ( 23.602 0.000 8.194) 24.984 23.294 ( 14.017 0.000 -5.505) 15.059 23.657 ( -28.973 -0.000 -16.304) 33.246 23.688 ( -12.374 -0.000 5.727) 13.636 ======================= Grid point 623 (307/361) ======================= q-point: ( 0.00 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 2.994 0.000 10.012) 10.450 2.907 ( -2.266 -0.000 -7.397) 7.736 3.264 ( 1.459 0.000 10.407) 10.509 3.400 ( -1.701 -0.000 -9.031) 9.190 3.415 ( 3.126 0.000 6.652) 7.350 3.666 ( -2.973 -0.000 -11.581) 11.957 4.327 ( 8.974 0.000 0.110) 8.975 4.343 ( -8.983 -0.000 -1.775) 9.157 5.936 ( 1.531 0.000 9.462) 9.585 6.098 ( -0.245 -0.000 -6.661) 6.665 6.403 ( -7.434 -0.000 10.700) 13.029 6.563 ( 0.715 0.000 -4.786) 4.839 6.745 ( 1.904 0.000 2.294) 2.982 6.839 ( 1.887 0.000 -5.927) 6.220 8.199 ( 7.474 0.000 26.511) 27.544 8.659 ( -9.722 -0.000 -18.701) 21.077 9.321 ( -5.343 -0.000 6.148) 8.145 9.431 ( 5.412 0.000 -4.789) 7.227 9.554 ( -7.395 -0.000 21.351) 22.595 9.975 ( 6.508 0.000 -20.169) 21.193 10.469 ( -7.625 -0.000 21.648) 22.951 10.877 ( 4.626 0.000 -18.896) 19.454 11.304 ( 11.053 0.000 18.683) 21.708 11.662 ( -10.148 -0.000 -16.336) 19.232 12.977 ( -7.434 -0.000 2.390) 7.808 13.034 ( 10.054 0.000 -3.684) 10.708 13.654 ( -2.892 -0.000 11.975) 12.319 13.919 ( 3.692 0.000 -13.823) 14.308 17.991 ( 12.857 0.000 4.231) 13.535 18.170 ( -13.822 -0.000 -13.238) 19.139 19.608 ( -14.522 -0.000 3.372) 14.909 19.651 ( 13.105 0.000 -0.928) 13.137 21.606 ( 30.674 0.000 18.415) 35.777 21.990 ( -30.853 -0.000 -19.033) 36.252 23.467 ( -11.386 -0.000 1.101) 11.439 23.494 ( 12.027 0.000 -1.786) 12.159 ======================= Grid point 624 (308/361) ======================= q-point: ( 0.10 0.00 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( -0.135 -0.301 -9.511) 9.517 2.908 ( 6.174 0.125 7.759) 9.917 3.277 ( -2.576 1.561 -3.461) 4.588 3.331 ( -0.754 3.883 3.431) 5.237 3.478 ( -1.469 -3.833 -11.763) 12.458 3.609 ( 3.288 2.190 12.693) 13.293 4.232 ( -6.480 -3.479 -0.458) 7.369 4.492 ( 9.205 -5.450 0.945) 10.739 5.952 ( -6.044 0.391 -8.319) 10.290 6.007 ( -5.721 0.696 6.178) 8.449 6.390 ( -11.214 0.952 8.203) 13.927 6.501 ( -3.256 -1.033 -1.848) 3.883 6.763 ( 0.635 3.934 -0.948) 4.096 6.837 ( 4.037 -4.037 -2.417) 6.200 8.184 ( -11.749 11.601 -19.618) 25.642 8.541 ( 4.762 12.112 20.568) 24.340 9.304 ( -11.138 -6.182 3.979) 13.346 9.443 ( 0.404 -7.929 -4.570) 9.160 9.731 ( -4.647 0.858 18.377) 18.975 9.852 ( 5.930 -6.077 -16.631) 18.673 10.698 ( 2.148 0.622 17.906) 18.045 10.757 ( 9.341 -1.143 -14.021) 16.886 11.354 ( 1.435 5.185 -18.439) 19.208 11.723 ( 17.092 1.398 16.115) 23.533 12.914 ( -7.826 -6.166 0.806) 9.996 13.141 ( 7.235 -6.343 -4.134) 10.472 13.736 ( -5.737 2.840 12.003) 13.603 13.781 ( 2.500 1.196 -12.524) 12.827 17.857 ( -12.577 -0.622 -7.295) 14.553 18.279 ( 13.832 -0.759 10.728) 17.521 19.415 ( -15.775 2.295 1.891) 16.053 19.774 ( 6.379 0.934 -0.428) 6.461 21.334 ( -25.939 1.281 -19.181) 32.285 22.270 ( 28.600 0.294 19.202) 34.450 23.335 ( -9.154 -0.877 0.163) 9.198 23.656 ( 12.320 -1.582 -0.785) 12.446 ======================= Grid point 625 (309/361) ======================= q-point: ( 0.20 0.00 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 0.315 -3.115 -11.844) 12.251 3.063 ( 2.080 -1.214 3.739) 4.448 3.168 ( -1.233 0.383 -9.058) 9.150 3.304 ( -0.020 1.674 4.847) 5.128 3.473 ( 0.092 -4.937 1.832) 5.267 3.747 ( 3.123 7.691 9.660) 12.737 4.212 ( 0.054 -2.149 0.183) 2.158 4.691 ( 6.632 -9.320 1.263) 11.508 5.730 ( -9.843 1.086 -7.382) 12.352 5.909 ( -14.744 -0.302 2.437) 14.947 6.278 ( -13.577 1.975 4.603) 14.472 6.439 ( -4.674 -0.919 -0.700) 4.815 6.727 ( 2.218 4.980 -0.972) 5.538 6.916 ( 3.999 -4.805 -1.271) 6.380 7.703 ( -7.047 12.947 -16.050) 21.791 8.607 ( 1.454 19.588 7.273) 20.945 9.233 ( -10.991 -6.167 2.082) 12.773 9.473 ( -1.942 -9.941 -2.651) 10.470 9.769 ( -3.970 -11.533 -6.738) 13.934 9.884 ( -4.458 0.287 11.060) 11.928 10.739 ( 11.455 3.960 -6.864) 13.929 11.016 ( 8.394 0.538 15.497) 17.633 11.157 ( 13.348 6.227 -20.811) 25.496 12.125 ( 17.004 2.505 10.173) 19.972 12.903 ( -4.120 -8.606 0.991) 9.593 13.215 ( 1.047 -8.961 -6.569) 11.160 13.666 ( 2.481 -0.097 -7.191) 7.607 13.786 ( -5.310 1.071 10.979) 12.242 17.637 ( -11.524 0.302 -1.024) 11.573 18.645 ( 13.887 -0.032 14.493) 20.072 19.172 ( -14.044 3.332 -2.206) 14.602 19.809 ( -3.629 -1.468 2.324) 4.552 20.787 ( -14.768 2.245 -17.905) 23.318 22.851 ( 20.465 1.461 17.203) 26.775 23.222 ( -4.865 1.607 -1.784) 5.425 23.867 ( 12.601 -5.113 2.325) 13.796 ======================= Grid point 626 (310/361) ======================= q-point: ( 0.30 0.00 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 0.863 -8.254 -13.090) 15.499 2.984 ( -0.528 -4.090 -13.909) 14.508 3.142 ( -9.222 -0.871 12.272) 15.375 3.422 ( 6.681 1.126 3.938) 7.837 3.556 ( 0.275 -7.467 1.981) 7.730 3.815 ( 3.056 11.851 9.161) 15.287 4.268 ( 7.453 1.066 -0.865) 7.578 4.855 ( 2.805 -7.774 0.503) 8.280 5.484 ( -13.228 1.162 -3.333) 13.691 5.701 ( -16.762 -4.244 -0.715) 17.306 6.097 ( -13.212 3.969 2.269) 13.980 6.368 ( -4.160 0.069 -1.360) 4.377 6.700 ( 1.371 5.658 -0.727) 5.867 6.998 ( 2.429 -5.107 -0.307) 5.663 7.375 ( 1.474 11.125 -12.085) 16.492 8.452 ( -1.901 17.771 -2.206) 18.008 9.172 ( -11.093 -7.377 3.008) 13.657 9.506 ( 1.048 -9.325 -4.287) 10.317 9.738 ( -12.119 -17.286 -0.439) 21.115 9.920 ( -1.787 9.273 8.956) 13.015 10.767 ( 5.316 11.800 1.661) 13.049 11.079 ( 21.926 2.153 -23.787) 32.422 11.314 ( 6.844 1.202 12.267) 14.098 12.378 ( 10.282 -0.461 1.585) 10.413 12.968 ( 0.586 -4.574 -0.036) 4.612 13.192 ( 0.212 -7.126 -5.805) 9.193 13.645 ( -1.450 1.235 2.034) 2.787 13.897 ( 0.774 -8.431 6.766) 10.838 17.501 ( -10.260 1.665 6.123) 12.063 18.888 ( -5.233 7.351 -5.947) 10.807 19.020 ( 8.145 -2.150 9.595) 12.769 19.739 ( -14.543 -3.947 3.076) 15.379 20.476 ( 0.170 2.092 -10.932) 11.131 23.077 ( -12.109 -7.222 0.985) 14.133 23.257 ( 20.083 14.092 5.794) 25.209 24.179 ( 13.005 -8.205 7.866) 17.272 ======================= Grid point 627 (311/361) ======================= q-point: (-0.60 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -3.598 -7.503 -10.813) 13.645 2.889 ( 2.314 -1.604 -7.665) 8.165 3.186 ( -8.758 -5.498 11.066) 15.146 3.477 ( -0.584 2.133 0.625) 2.298 3.696 ( 4.936 -10.471 1.058) 11.624 3.858 ( 2.945 11.549 7.556) 14.112 4.377 ( 11.839 3.397 -0.845) 12.346 4.879 ( -6.322 -0.747 -0.185) 6.369 5.303 ( -9.491 -6.164 -1.181) 11.378 5.537 ( -10.402 -4.056 -0.011) 11.165 5.930 ( -8.553 3.756 3.315) 9.912 6.281 ( -2.814 0.602 -4.414) 5.270 6.624 ( -3.447 6.033 -0.080) 6.949 7.062 ( -0.985 -5.424 0.767) 5.566 7.240 ( 10.008 8.167 -9.425) 15.990 8.233 ( -3.416 11.822 -2.910) 12.645 9.110 ( -10.607 -6.225 1.733) 12.421 9.585 ( 2.751 -10.925 -2.120) 11.464 9.735 ( -12.948 -14.497 4.818) 20.026 9.895 ( 1.939 15.035 4.769) 15.892 10.726 ( -0.834 11.527 5.287) 12.709 11.091 ( 19.804 1.275 -21.078) 28.950 11.478 ( 2.668 2.284 5.999) 6.952 12.518 ( 6.183 -3.973 -0.119) 7.351 12.937 ( -2.669 -2.669 -4.994) 6.260 13.225 ( 1.682 -1.741 -1.943) 3.104 13.667 ( -0.159 2.407 6.429) 6.867 14.088 ( 3.902 -11.713 1.980) 12.504 17.491 ( -6.838 0.161 14.013) 15.593 18.603 ( -3.761 4.929 -17.412) 18.483 19.256 ( 7.447 1.813 6.808) 10.252 19.600 ( -11.048 -2.678 1.928) 11.530 20.440 ( 3.939 -0.282 -1.702) 4.300 22.968 ( -7.279 -3.408 -2.133) 8.316 23.417 ( 9.462 8.240 2.818) 12.860 24.525 ( 9.502 -6.292 8.596) 14.275 ======================= Grid point 628 (312/361) ======================= q-point: (-0.50 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -6.152 -0.021 -2.155) 6.519 2.819 ( -7.519 5.341 3.270) 9.785 3.278 ( 3.058 -6.209 0.770) 6.964 3.451 ( 0.203 0.283 -0.286) 0.450 3.839 ( 1.813 10.719 3.618) 11.458 3.887 ( 1.711 -14.299 -1.677) 14.498 4.474 ( 1.830 1.000 -0.647) 2.184 4.779 ( -2.854 -1.247 0.909) 3.245 5.264 ( -2.588 -3.761 -1.314) 4.751 5.483 ( -1.377 -0.086 1.666) 2.163 5.898 ( -2.692 0.366 7.027) 7.534 6.171 ( -0.773 0.464 -7.072) 7.129 6.545 ( -3.200 2.090 3.473) 5.164 7.083 ( -4.766 -4.917 1.560) 7.023 7.224 ( 9.873 4.295 -9.025) 14.049 8.108 ( -2.224 4.060 1.760) 4.952 9.050 ( -5.410 -1.702 2.477) 6.188 9.705 ( -3.382 -11.368 -0.049) 11.860 9.729 ( -1.695 -1.339 1.871) 2.858 9.837 ( -1.564 10.264 5.723) 11.856 10.687 ( -5.884 5.944 8.948) 12.248 11.072 ( 12.923 -0.147 -18.162) 22.291 11.529 ( 1.989 2.206 1.511) 3.332 12.601 ( 1.036 -1.856 -0.703) 2.239 12.874 ( -0.626 -1.138 -3.217) 3.469 13.203 ( -2.790 0.934 0.853) 3.063 13.718 ( 0.374 4.223 4.318) 6.051 14.231 ( 4.672 -8.380 -4.654) 10.663 17.654 ( -1.107 -3.830 16.342) 16.821 18.299 ( 1.133 4.164 -18.165) 18.671 19.365 ( 1.820 -0.609 1.391) 2.371 19.556 ( 0.444 -0.412 0.764) 0.975 20.474 ( 0.484 1.065 0.772) 1.402 22.906 ( -2.604 -4.139 -1.382) 5.081 23.469 ( 2.647 2.818 0.548) 3.905 24.722 ( 1.773 -1.350 3.010) 3.745 ======================= Grid point 629 (313/361) ======================= q-point: (-0.40 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -5.143 7.752 8.850) 12.840 2.692 ( -10.643 9.519 10.784) 17.894 3.359 ( 6.234 -1.056 -4.533) 7.780 3.490 ( 3.086 -3.659 -1.109) 4.913 3.734 ( 0.216 11.598 -3.487) 12.113 4.004 ( -1.905 -17.294 -4.839) 18.059 4.371 ( -13.578 -5.047 -0.569) 14.497 4.868 ( 5.658 -1.178 0.702) 5.822 5.271 ( 5.614 3.155 1.395) 6.589 5.531 ( 7.306 3.298 1.150) 8.099 5.979 ( 1.780 -3.358 4.044) 5.550 6.138 ( 1.696 -0.724 1.805) 2.580 6.604 ( 1.695 -4.054 5.290) 6.877 7.062 ( -8.339 -4.319 4.173) 10.276 7.181 ( 4.170 1.993 -9.497) 10.562 8.147 ( -0.106 -5.294 6.117) 8.091 9.071 ( 2.333 3.915 5.800) 7.376 9.591 ( -3.211 9.620 -3.027) 10.584 9.776 ( 4.941 12.106 1.571) 13.170 9.877 ( -8.995 -17.987 6.845) 21.243 10.662 ( -10.780 2.793 11.810) 16.232 11.011 ( 5.276 -2.360 -14.382) 15.500 11.553 ( 3.105 0.356 -1.764) 3.588 12.545 ( -5.111 2.260 -2.588) 6.158 12.869 ( 2.450 1.629 0.897) 3.076 13.173 ( -4.472 1.134 3.419) 5.742 13.691 ( -2.326 7.121 2.361) 7.855 14.249 ( 4.951 -4.291 -12.262) 13.903 17.778 ( 3.256 -1.965 -8.394) 9.215 18.280 ( 8.692 -3.744 8.879) 12.977 19.359 ( -4.471 -4.835 -3.499) 7.457 19.631 ( 11.396 2.071 -1.122) 11.637 20.430 ( -3.771 4.647 0.193) 5.988 22.942 ( 2.061 -5.797 0.230) 6.157 23.461 ( -3.025 -2.650 -1.431) 4.269 24.656 ( -7.485 4.849 -4.312) 9.906 ======================= Grid point 630 (314/361) ======================= q-point: (-0.30 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -2.872 9.134 14.692) 17.537 2.667 ( -4.817 9.080 16.825) 19.716 3.362 ( 3.721 0.228 -8.006) 8.832 3.493 ( -4.271 -2.309 -2.941) 5.677 3.625 ( 7.843 8.759 -5.707) 13.069 4.018 ( -5.376 -15.707 -8.708) 18.747 4.242 ( -10.246 -5.336 0.911) 11.588 4.865 ( -2.298 6.034 -0.534) 6.479 5.409 ( 7.446 -1.253 3.564) 8.350 5.683 ( 17.969 4.575 1.410) 18.596 6.132 ( 7.547 -5.496 2.713) 9.722 6.230 ( 1.536 -0.541 6.628) 6.826 6.729 ( 1.816 -6.385 -0.772) 6.683 7.063 ( 1.257 4.003 -3.726) 5.611 7.107 ( -7.707 -7.175 9.720) 14.330 8.339 ( 1.036 -14.022 8.384) 16.370 9.169 ( 6.689 6.577 6.273) 11.285 9.420 ( -3.187 11.668 0.154) 12.096 9.735 ( 3.832 14.328 1.654) 14.923 10.008 ( -4.902 -19.172 1.976) 19.887 10.621 ( -17.904 2.088 17.939) 25.431 10.902 ( 1.301 1.057 -10.906) 11.034 11.529 ( -0.348 -2.172 -8.729) 9.002 12.401 ( -7.172 1.525 -1.633) 7.512 12.928 ( 3.982 3.101 3.748) 6.286 13.113 ( -5.496 4.504 2.316) 7.474 13.604 ( -3.843 8.230 2.791) 9.502 14.170 ( 6.335 -3.025 -17.043) 18.432 17.708 ( 7.420 -1.478 -13.132) 15.156 18.666 ( 13.710 -7.369 13.384) 20.528 19.231 ( -9.777 -6.102 -9.215) 14.756 19.799 ( 16.792 2.855 -2.845) 17.269 20.329 ( -3.628 6.272 4.103) 8.327 23.060 ( 4.254 -7.090 1.085) 8.340 23.385 ( -8.383 -6.463 -5.345) 11.858 24.339 ( -14.812 10.633 -7.820) 19.840 ======================= Grid point 631 (315/361) ======================= q-point: (-0.20 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 0.285 3.681 14.557) 15.017 2.789 ( -1.508 6.713 20.292) 21.427 3.243 ( -5.252 -0.575 -7.369) 9.067 3.427 ( 2.369 -0.497 -6.995) 7.402 3.601 ( 7.710 4.364 -7.908) 11.875 3.932 ( -7.610 -10.149 -8.176) 15.091 4.209 ( -2.067 -3.707 0.207) 4.250 4.722 ( -5.126 9.384 -1.693) 10.826 5.570 ( 4.772 -0.767 7.858) 9.225 5.941 ( 18.162 1.039 -0.732) 18.206 6.288 ( -3.086 -0.971 10.514) 11.001 6.375 ( 13.227 -2.962 -2.327) 13.753 6.750 ( -1.400 -4.655 -2.094) 5.293 6.951 ( -0.190 3.974 -5.340) 6.659 7.345 ( 0.394 -8.851 19.728) 21.626 8.605 ( -0.549 -20.726 6.547) 21.743 9.257 ( 6.398 5.500 -0.367) 8.445 9.344 ( -2.115 8.959 11.234) 14.524 9.655 ( 3.439 19.321 1.019) 19.651 10.112 ( -0.060 -16.139 -6.762) 17.499 10.550 ( -23.014 1.656 18.083) 29.315 10.816 ( 1.597 4.504 2.449) 5.370 11.346 ( -5.030 -1.527 -15.461) 16.331 12.266 ( -10.502 -3.305 -4.030) 11.724 12.959 ( 3.492 3.919 -3.810) 6.486 13.058 ( -0.932 8.685 8.489) 12.180 13.526 ( -3.870 5.097 4.553) 7.854 14.084 ( 7.285 -3.528 -16.741) 18.595 17.712 ( 9.874 -1.219 -8.002) 12.768 18.953 ( -13.748 -5.262 -15.141) 21.117 19.080 ( 17.453 -4.195 6.830) 19.206 19.863 ( -0.171 2.382 -3.252) 4.035 20.473 ( 16.714 3.371 12.912) 21.388 23.127 ( -24.796 -18.492 -6.103) 31.529 23.233 ( 12.913 6.238 -6.561) 15.771 23.927 ( -15.744 11.174 -3.713) 19.660 ======================= Grid point 632 (316/361) ======================= q-point: (-0.10 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 1.081 0.334 12.239) 12.291 2.977 ( -0.849 1.620 12.457) 12.590 3.104 ( -3.837 -0.525 1.037) 4.009 3.386 ( 3.220 -0.454 -6.106) 6.918 3.535 ( 2.549 0.362 -11.549) 11.833 3.814 ( -4.216 -3.212 -6.912) 8.711 4.237 ( 4.006 -0.475 -0.766) 4.106 4.525 ( -7.598 7.120 -2.389) 10.683 5.759 ( 4.332 -0.463 10.530) 11.396 6.105 ( 8.691 -0.035 -3.590) 9.403 6.359 ( -5.692 -0.066 10.798) 12.207 6.537 ( 12.131 -1.477 -5.735) 13.500 6.732 ( -3.971 -0.831 1.598) 4.360 6.880 ( 2.662 1.108 -5.442) 6.159 7.740 ( 5.791 -6.944 24.227) 25.859 8.803 ( -3.565 -20.749 -4.453) 21.518 9.297 ( 3.445 4.288 4.096) 6.858 9.414 ( 2.418 4.269 5.599) 7.444 9.508 ( -5.090 18.093 8.130) 20.479 10.110 ( 4.324 -6.780 -15.889) 17.808 10.421 ( -17.313 3.255 15.772) 23.645 10.967 ( 3.083 0.022 17.686) 17.953 11.087 ( -1.771 -0.138 -17.565) 17.654 12.013 ( -14.843 -3.593 -11.973) 19.405 12.958 ( 9.087 4.080 -3.685) 10.621 13.049 ( -4.158 6.812 5.590) 9.743 13.546 ( -2.007 -0.059 8.960) 9.182 14.014 ( 5.976 -2.513 -14.628) 16.000 17.806 ( 11.477 -0.159 -2.191) 11.685 18.564 ( -14.427 -0.364 -16.871) 22.201 19.418 ( 16.924 -3.191 1.639) 17.300 19.753 ( -10.519 0.094 1.544) 10.632 20.970 ( 28.004 1.133 16.184) 32.364 22.646 ( -30.523 -4.541 -17.385) 35.419 23.354 ( 11.747 0.713 -2.117) 11.958 23.641 ( -13.014 4.080 0.865) 13.666 ======================= Grid point 634 (317/361) ======================= q-point: ( 0.10 0.10 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( -1.712 -0.000 -11.923) 12.045 3.043 ( 0.951 0.000 -2.008) 2.222 3.176 ( 0.896 0.000 -7.480) 7.533 3.326 ( 0.223 0.000 0.076) 0.236 3.416 ( -2.958 -0.000 7.187) 7.772 3.836 ( 4.748 0.000 11.573) 12.509 4.196 ( 0.866 0.000 3.114) 3.232 4.582 ( 6.034 0.000 0.474) 6.052 5.741 ( -8.942 -0.000 -7.745) 11.830 5.908 ( -15.943 -0.000 2.020) 16.070 6.299 ( -14.210 -0.000 6.150) 15.484 6.430 ( -3.680 -0.000 -0.735) 3.753 6.813 ( 3.743 0.000 -1.551) 4.052 6.831 ( 2.334 0.000 -0.476) 2.382 7.828 ( -9.204 -0.000 -18.938) 21.056 8.820 ( -4.251 -0.000 11.395) 12.162 9.212 ( -11.017 -0.000 9.772) 14.726 9.332 ( 2.069 0.000 -6.484) 6.806 9.604 ( -2.622 -0.000 -19.442) 19.618 9.920 ( -4.802 -0.000 19.248) 19.839 10.771 ( 17.661 0.000 -11.431) 21.038 11.023 ( 8.164 0.000 18.138) 19.891 11.234 ( 13.942 0.000 -23.477) 27.305 12.156 ( 15.577 0.000 11.891) 19.597 12.815 ( -3.709 -0.000 2.957) 4.743 13.112 ( 1.997 0.000 -6.686) 6.978 13.657 ( 2.883 0.000 -12.016) 12.357 13.809 ( -8.943 -0.000 13.808) 16.451 17.639 ( -11.113 -0.000 -0.343) 11.118 18.644 ( 14.247 0.000 15.694) 21.196 19.208 ( -15.350 -0.000 -1.412) 15.415 19.792 ( -6.017 -0.000 2.213) 6.411 20.808 ( -12.487 -0.000 -20.382) 23.903 22.849 ( 12.394 0.000 19.401) 23.022 23.262 ( 3.570 0.000 0.798) 3.658 23.810 ( 11.929 0.000 -0.886) 11.962 ======================= Grid point 635 (318/361) ======================= q-point: ( 0.20 0.10 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -1.919 -3.309 -13.126) 13.672 2.896 ( 0.622 -3.562 -16.583) 16.972 3.150 ( -7.606 0.738 7.186) 10.490 3.434 ( 5.283 0.273 4.539) 6.971 3.453 ( -1.220 -3.191 3.143) 4.642 4.017 ( 3.520 7.865 12.945) 15.551 4.296 ( 7.583 1.515 3.248) 8.387 4.683 ( 2.032 -8.018 0.648) 8.297 5.522 ( -10.602 2.114 -4.175) 11.589 5.635 ( -21.985 -2.585 -1.257) 22.173 6.159 ( -13.036 2.143 4.585) 13.983 6.369 ( -3.214 0.002 -1.541) 3.564 6.802 ( 1.525 5.544 -0.036) 5.750 6.902 ( 1.867 -5.395 -0.211) 5.713 7.510 ( -2.372 3.540 -14.726) 15.330 8.708 ( -10.583 8.668 -2.553) 13.916 9.167 ( -6.320 6.518 7.074) 11.509 9.342 ( -2.347 -7.157 -9.597) 12.199 9.413 ( -3.520 -15.258 -2.564) 15.867 10.055 ( -6.152 3.974 17.369) 18.851 10.926 ( 19.589 4.172 -5.561) 20.786 11.141 ( 20.353 3.765 -27.362) 34.309 11.344 ( 7.979 1.175 13.585) 15.799 12.383 ( 5.804 0.551 1.376) 5.990 12.918 ( 5.696 -0.165 4.842) 7.478 13.040 ( -1.059 -7.622 -6.804) 10.271 13.596 ( 4.892 -3.180 -8.505) 10.314 13.851 ( -9.961 0.544 16.263) 19.079 17.523 ( -10.315 0.641 6.276) 12.091 18.928 ( -10.592 -0.433 -5.996) 12.179 19.065 ( 11.003 3.510 15.811) 19.580 19.678 ( -14.927 -2.144 3.612) 15.506 20.496 ( 1.419 0.376 -16.957) 17.020 22.949 ( -13.310 -4.064 5.370) 14.916 23.543 ( 21.403 12.630 10.132) 26.838 24.006 ( 11.663 -8.958 1.768) 14.812 ======================= Grid point 636 (319/361) ======================= q-point: ( 0.30 0.10 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 2.150 -5.606 -10.253) 11.882 2.793 ( 6.720 -6.930 -14.730) 17.611 3.134 ( -12.124 -0.771 13.478) 18.145 3.446 ( -4.783 -4.449 0.410) 6.545 3.586 ( 6.120 -1.397 1.601) 6.478 4.105 ( 0.518 13.705 12.556) 18.595 4.449 ( 11.588 3.952 2.460) 12.488 4.777 ( -3.788 -9.734 1.006) 10.494 5.229 ( -21.047 -1.377 -1.282) 21.131 5.454 ( -6.787 -4.271 -0.199) 8.021 6.022 ( -9.306 4.922 5.062) 11.681 6.293 ( -2.098 0.522 -4.469) 4.964 6.734 ( -4.198 5.917 -0.162) 7.257 6.955 ( -2.351 -6.008 0.481) 6.469 7.347 ( 5.919 3.379 -10.618) 12.617 8.392 ( -12.712 6.246 -7.358) 15.961 9.094 ( -3.778 1.295 0.034) 3.994 9.302 ( -5.854 -12.486 0.167) 13.792 9.546 ( 1.442 -8.642 4.348) 9.781 10.108 ( -6.184 7.533 13.840) 16.927 10.989 ( 14.238 14.162 -12.095) 23.443 11.126 ( 20.724 2.729 -16.273) 26.491 11.529 ( 4.039 2.276 4.753) 6.640 12.456 ( 4.317 -2.237 0.564) 4.894 12.874 ( -4.513 -3.968 -5.541) 8.175 13.171 ( 6.392 -3.433 0.238) 7.259 13.627 ( 4.725 -6.042 -4.957) 9.133 13.959 ( -4.833 -2.069 16.806) 17.609 17.496 ( -9.218 0.276 12.933) 15.884 18.638 ( -9.044 0.017 -14.871) 17.405 19.369 ( 10.127 8.069 11.931) 17.607 19.554 ( -9.245 -2.200 2.680) 9.873 20.396 ( 3.993 -3.606 -8.659) 10.194 22.838 ( -14.911 -6.944 2.485) 16.635 23.709 ( 13.521 19.618 2.605) 23.968 24.349 ( 10.239 -12.899 7.786) 18.217 ======================= Grid point 637 (320/361) ======================= q-point: ( 0.40 0.10 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 4.713 0.252 -1.683) 5.011 2.821 ( 6.199 -5.341 -7.728) 11.255 3.179 ( -6.483 -3.411 12.804) 14.752 3.411 ( -4.203 -4.668 -1.404) 6.437 3.676 ( 0.796 -5.976 -0.142) 6.030 4.100 ( -1.043 14.954 8.124) 17.050 4.525 ( -4.156 3.959 -2.044) 6.093 4.733 ( -5.597 -3.720 2.650) 7.224 5.115 ( -4.665 -10.361 3.889) 12.010 5.468 ( 1.947 -1.935 2.051) 3.426 5.961 ( -3.445 5.348 7.888) 10.134 6.188 ( -0.469 1.134 -7.606) 7.704 6.601 ( -5.950 3.814 0.164) 7.070 6.955 ( -7.816 -7.605 1.295) 10.982 7.303 ( 6.484 3.293 -7.946) 10.772 8.110 ( -11.827 -2.321 -5.408) 13.211 9.081 ( 2.037 0.749 2.039) 2.978 9.367 ( -7.885 -13.384 5.704) 16.548 9.692 ( 3.881 -3.092 3.386) 6.008 10.097 ( -4.797 10.130 10.202) 15.156 10.884 ( 9.299 13.355 -9.786) 18.989 11.131 ( 11.620 7.365 -13.466) 19.250 11.578 ( 5.182 2.337 -2.156) 6.079 12.555 ( 2.128 -2.728 2.179) 4.088 12.818 ( -2.015 -4.720 -1.589) 5.372 13.213 ( -0.873 -0.002 -0.400) 0.960 13.696 ( 3.812 -6.456 -4.117) 8.553 14.129 ( -0.175 -2.029 10.702) 10.894 17.595 ( -5.699 -2.635 17.887) 18.957 18.321 ( -4.229 -0.957 -19.883) 20.350 19.478 ( 4.550 11.444 3.356) 12.764 19.545 ( 2.817 -0.728 1.399) 3.229 20.420 ( 0.815 -6.558 -2.317) 7.003 22.742 ( -13.662 -10.002 3.164) 17.225 23.695 ( 8.819 17.930 -1.490) 20.037 24.631 ( 2.583 -8.511 4.952) 10.180 ======================= Grid point 638 (321/361) ======================= q-point: (-0.50 0.10 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 4.126 8.099 8.407) 12.381 2.811 ( -5.419 3.082 4.394) 7.627 3.319 ( 5.941 -3.780 2.270) 7.398 3.396 ( -2.503 -6.000 -1.214) 6.613 3.721 ( -4.261 -11.944 -1.942) 12.829 3.999 ( 0.121 15.762 -0.902) 15.789 4.299 ( -16.872 -2.990 -0.173) 17.136 4.813 ( 2.507 -4.088 2.503) 5.409 5.258 ( 2.793 -4.801 6.459) 8.519 5.570 ( 8.522 1.104 1.824) 8.784 5.993 ( 2.699 4.472 2.579) 5.826 6.130 ( 1.083 -0.174 1.926) 2.217 6.551 ( -1.353 -1.620 2.320) 3.137 6.911 ( -13.139 -9.887 3.437) 16.799 7.245 ( 3.223 3.321 -7.650) 8.941 7.989 ( -8.089 -10.951 -0.732) 13.634 9.182 ( 7.054 4.359 6.478) 10.523 9.447 ( -9.362 -13.716 6.587) 17.865 9.772 ( 2.704 2.041 0.166) 3.392 10.053 ( -1.831 12.537 7.736) 14.845 10.777 ( -1.237 10.770 1.423) 10.934 11.022 ( 10.028 3.476 -18.649) 21.457 11.591 ( 5.779 3.767 -4.298) 8.127 12.572 ( -4.149 0.479 0.176) 4.180 12.859 ( 1.576 -2.515 2.784) 4.069 13.189 ( -3.240 0.401 2.748) 4.267 13.725 ( 1.497 -3.868 -5.028) 6.518 14.215 ( -0.297 1.047 2.104) 2.369 17.744 ( -0.472 -1.622 1.897) 2.540 18.156 ( 1.688 -8.834 -2.080) 9.231 19.406 ( -1.229 9.302 -2.239) 9.646 19.665 ( 13.059 1.483 -0.528) 13.154 20.437 ( -2.525 -4.030 -1.710) 5.054 22.723 ( -11.694 -13.812 5.111) 18.805 23.613 ( 5.907 15.062 -3.861) 16.633 24.674 ( -6.501 -2.742 -1.900) 7.307 ======================= Grid point 639 (322/361) ======================= q-point: (-0.40 0.10 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -2.241 12.090 12.965) 17.868 2.799 ( -3.577 4.721 12.162) 13.528 3.358 ( -1.941 -1.661 -4.629) 5.287 3.435 ( 1.440 -3.335 -1.515) 3.936 3.721 ( -5.483 -14.869 -5.719) 16.848 3.837 ( 4.903 13.163 -7.250) 15.807 4.163 ( -9.918 -3.208 4.308) 11.279 4.889 ( -1.374 -3.109 1.555) 3.738 5.402 ( 4.914 -0.270 5.048) 7.050 5.745 ( 13.843 1.634 2.286) 14.125 6.066 ( 10.096 -0.308 -0.009) 10.101 6.228 ( -0.097 0.306 9.360) 9.365 6.617 ( 1.564 -5.611 -0.476) 5.844 6.905 ( -11.625 -12.742 10.919) 20.414 7.148 ( 0.288 3.708 -6.669) 7.636 8.047 ( -5.365 -17.391 3.374) 18.510 9.331 ( 8.644 9.049 8.171) 14.946 9.515 ( -5.406 -8.025 4.402) 10.630 9.730 ( -4.721 1.103 0.345) 4.860 10.038 ( 2.487 12.526 7.305) 14.712 10.691 ( -11.113 6.869 11.497) 17.403 10.914 ( 12.580 0.560 -20.871) 24.376 11.538 ( 1.774 4.011 -8.347) 9.429 12.443 ( -9.487 2.435 -1.792) 9.957 12.957 ( 3.593 0.303 4.416) 5.701 13.181 ( -3.134 2.190 4.691) 6.052 13.695 ( -0.075 -0.024 -3.611) 3.612 14.158 ( -1.066 2.769 -5.978) 6.673 17.681 ( 5.972 -1.302 -12.879) 14.255 18.444 ( 4.666 -15.483 14.089) 21.448 19.239 ( -4.558 6.382 -5.762) 9.732 19.849 ( 15.365 2.359 -2.005) 15.674 20.398 ( 0.109 0.711 -0.948) 1.190 22.773 ( -12.677 -17.899 5.962) 22.729 23.499 ( 5.094 12.838 -6.132) 15.111 24.463 ( -13.692 3.097 -7.372) 15.856 ======================= Grid point 640 (323/361) ======================= q-point: (-0.30 0.10 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -3.376 7.742 12.752) 15.295 2.905 ( -2.812 4.774 16.943) 17.826 3.224 ( -7.627 -1.584 -6.205) 9.959 3.421 ( 1.594 -0.314 -5.704) 5.931 3.664 ( -2.357 -6.777 -12.219) 14.170 3.761 ( 5.437 2.231 -4.942) 7.679 4.174 ( -0.571 -0.401 5.642) 5.685 4.847 ( -5.240 3.066 -0.574) 6.098 5.558 ( 5.538 -0.311 7.743) 9.524 5.961 ( 14.891 0.599 -0.273) 14.905 6.254 ( 8.011 -2.204 3.540) 9.032 6.337 ( 2.874 -0.630 6.480) 7.117 6.659 ( 0.619 -5.144 -1.550) 5.408 7.024 ( -2.429 3.344 -4.712) 6.268 7.117 ( -2.239 -15.049 16.332) 22.321 8.201 ( -6.264 -22.938 3.574) 24.045 9.438 ( 10.125 13.255 1.123) 16.717 9.498 ( -4.347 7.802 8.198) 12.123 9.751 ( -4.811 -14.379 3.557) 15.574 10.051 ( 3.042 13.930 6.772) 15.785 10.604 ( -17.100 4.829 14.161) 22.721 10.867 ( 13.962 1.216 -14.207) 19.956 11.348 ( -3.594 3.253 -13.624) 14.460 12.231 ( -13.656 -0.458 -4.909) 14.519 13.045 ( 5.790 4.580 1.925) 7.629 13.189 ( -0.753 5.000 7.297) 8.878 13.636 ( -3.674 4.593 1.268) 6.017 14.023 ( 1.293 -1.214 -12.668) 12.791 17.682 ( 10.143 -1.967 -7.609) 12.831 18.752 ( -4.162 -14.229 1.519) 14.903 19.086 ( 5.129 3.549 -2.210) 6.617 19.895 ( -2.370 0.717 -4.370) 5.023 20.544 ( 20.479 3.860 6.728) 21.899 22.773 ( -20.836 -18.871 1.501) 28.151 23.396 ( 8.699 10.886 -6.891) 15.545 24.096 ( -16.342 6.893 -7.364) 19.204 ======================= Grid point 641 (324/361) ======================= q-point: (-0.20 0.10 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -0.503 2.442 11.690) 11.953 3.017 ( -4.735 2.051 7.001) 8.697 3.083 ( -4.004 -1.768 3.010) 5.312 3.367 ( 1.049 -1.986 -6.569) 6.942 3.533 ( -1.222 -1.286 -9.361) 9.528 3.751 ( 3.520 -1.271 -7.782) 8.635 4.265 ( 5.529 3.325 4.587) 7.916 4.682 ( -7.291 7.829 -3.011) 11.114 5.748 ( 4.219 -0.491 10.426) 11.258 6.104 ( 8.423 -0.118 -4.197) 9.411 6.358 ( -4.293 0.077 9.739) 10.643 6.494 ( 10.603 -2.757 -3.233) 11.423 6.705 ( 1.039 -2.025 1.175) 2.562 6.911 ( -1.668 1.984 -3.785) 4.587 7.510 ( 4.695 -17.159 19.830) 26.640 8.345 ( -8.264 -26.847 -1.624) 28.137 9.413 ( 2.467 8.810 3.722) 9.877 9.541 ( 2.026 8.664 7.705) 11.770 9.811 ( -3.839 1.812 1.466) 4.491 10.026 ( 2.922 8.436 -0.420) 8.937 10.488 ( -15.679 3.653 13.448) 20.977 10.961 ( 11.665 -1.025 -1.106) 11.762 11.102 ( -0.018 3.028 -12.704) 13.060 11.931 ( -16.931 -3.897 -10.847) 20.482 13.094 ( 9.568 9.869 -0.291) 13.749 13.218 ( -2.593 8.747 7.186) 11.613 13.559 ( -5.783 2.270 5.730) 8.451 13.930 ( 4.253 -6.169 -14.310) 16.153 17.801 ( 11.991 -0.444 -0.936) 12.036 18.551 ( -13.584 -1.049 -12.908) 18.768 19.321 ( 15.058 -6.691 2.890) 16.729 19.747 ( -10.964 -1.100 -1.633) 11.139 21.008 ( 29.424 2.750 12.874) 32.235 22.498 ( -29.179 -10.822 -9.871) 32.649 23.406 ( 11.534 5.269 -3.362) 13.118 23.747 ( -14.393 6.258 -2.864) 15.954 ======================= Grid point 642 (325/361) ======================= q-point: (-0.10 0.10 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 2.618 0.134 9.980) 10.319 2.907 ( -2.044 0.106 -7.345) 7.625 3.215 ( -1.033 -4.525 9.258) 10.357 3.343 ( 0.773 -4.619 -5.459) 7.192 3.453 ( -0.651 2.348 3.350) 4.142 3.666 ( 0.885 0.658 -11.588) 11.640 4.364 ( 2.971 5.306 4.356) 7.480 4.456 ( -2.914 8.789 -4.708) 10.388 5.925 ( 1.140 -0.889 9.684) 9.792 6.093 ( -0.137 -0.430 -6.955) 6.970 6.399 ( -7.379 -0.360 9.842) 12.306 6.555 ( 3.514 -0.862 -5.540) 6.616 6.741 ( -2.161 -0.167 4.240) 4.762 6.853 ( 3.710 1.062 -5.888) 7.040 8.031 ( 8.241 -16.798 22.194) 29.029 8.376 ( -10.453 -24.473 -11.449) 28.970 9.461 ( 2.572 6.681 4.644) 8.533 9.521 ( -0.620 8.475 -2.337) 8.814 9.665 ( -12.030 13.061 14.639) 23.014 9.976 ( 7.470 1.368 -13.688) 15.653 10.496 ( -7.424 2.456 19.403) 20.919 10.882 ( 5.213 0.612 -18.388) 19.123 11.289 ( 13.893 -0.854 14.031) 19.764 11.594 ( -12.065 -6.083 -15.148) 20.299 13.093 ( -6.813 11.368 2.134) 13.424 13.132 ( 9.441 9.951 -2.181) 13.889 13.619 ( -3.769 -3.687 11.142) 12.327 13.872 ( 3.875 -5.011 -13.434) 14.853 17.999 ( 12.675 0.917 4.978) 13.648 18.184 ( -13.368 1.498 -12.797) 18.566 19.563 ( -8.512 -4.730 3.830) 10.464 19.624 ( 7.617 -2.818 -2.164) 8.405 21.608 ( 28.981 0.187 17.124) 33.662 21.959 ( -28.839 -3.281 -17.030) 33.652 23.498 ( -7.662 3.263 0.274) 8.332 23.517 ( 7.694 2.441 -1.662) 8.241 ======================= Grid point 645 (326/361) ======================= q-point: ( 0.20 0.20 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 4.164 0.000 -9.351) 10.237 2.717 ( 6.324 0.000 -16.092) 17.290 3.131 ( -10.890 -0.000 11.495) 15.834 3.397 ( -5.575 -0.000 1.182) 5.699 3.580 ( 5.025 0.000 2.612) 5.663 4.271 ( 0.862 0.000 15.204) 15.228 4.495 ( 11.119 0.000 4.413) 11.962 4.636 ( -3.317 -0.000 0.196) 3.323 5.225 ( -27.024 -0.000 -2.174) 27.111 5.409 ( -3.848 -0.000 -0.496) 3.880 6.072 ( -9.630 -0.000 5.887) 11.287 6.298 ( -1.727 -0.000 -4.554) 4.870 6.827 ( -6.212 -0.000 0.152) 6.214 6.860 ( -1.412 -0.000 0.155) 1.421 7.375 ( 4.504 0.000 -10.885) 11.780 8.463 ( -16.782 -0.000 -9.179) 19.129 9.028 ( -4.850 -0.000 -11.361) 12.352 9.296 ( -7.052 -0.000 15.459) 16.991 9.422 ( 9.418 0.000 0.688) 9.443 10.175 ( -9.938 -0.000 17.003) 19.694 11.101 ( 23.930 0.000 -32.181) 40.103 11.198 ( 21.520 0.000 -2.670) 21.685 11.546 ( 1.528 0.000 5.315) 5.530 12.439 ( 2.692 0.000 1.875) 3.281 12.825 ( -5.133 -0.000 -7.559) 9.137 13.134 ( 8.459 0.000 2.669) 8.870 13.553 ( 5.466 0.000 -7.441) 9.233 13.951 ( -7.509 -0.000 20.151) 21.505 17.499 ( -10.108 -0.000 12.552) 16.116 18.635 ( -10.355 -0.000 -14.085) 17.482 19.462 ( 10.675 0.000 16.009) 19.242 19.528 ( -8.542 -0.000 3.064) 9.075 20.353 ( 3.756 0.000 -13.373) 13.891 22.770 ( -15.695 -0.000 3.338) 16.046 24.057 ( 15.265 0.000 13.648) 20.476 24.067 ( 8.282 0.000 -2.647) 8.694 ======================= Grid point 646 (327/361) ======================= q-point: ( 0.30 0.20 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 12.946 0.952 -0.409) 12.987 2.689 ( 11.306 -5.964 -12.665) 17.994 3.156 ( -9.530 -0.003 16.359) 18.933 3.328 ( -5.929 -3.046 -0.766) 6.710 3.629 ( -1.859 -0.616 1.191) 2.292 4.360 ( -4.519 12.427 11.183) 17.318 4.575 ( -13.315 -0.399 -2.257) 13.511 4.640 ( 1.105 -5.426 1.895) 5.853 4.966 ( -5.910 -4.308 6.911) 10.063 5.427 ( 3.368 -1.708 2.207) 4.374 6.045 ( -5.054 2.797 9.054) 10.739 6.204 ( 0.496 0.534 -8.327) 8.358 6.674 ( -8.943 3.542 -1.047) 9.675 6.831 ( -8.016 -5.142 0.676) 9.547 7.340 ( 4.426 0.916 -6.213) 7.683 8.081 ( -16.666 -0.480 -10.927) 19.935 8.935 ( -0.101 -8.502 -4.750) 9.739 9.377 ( -3.570 6.047 15.268) 16.806 9.620 ( 9.478 -3.977 3.433) 10.836 10.206 ( -12.181 2.636 15.630) 19.991 11.024 ( 24.766 2.459 -33.279) 41.556 11.373 ( 8.975 15.126 -0.798) 17.606 11.571 ( 5.194 -4.288 -3.986) 7.826 12.522 ( 1.710 -0.650 4.223) 4.602 12.724 ( -2.442 -4.230 -1.863) 5.227 13.208 ( 0.413 -0.227 -0.125) 0.488 13.567 ( 5.325 -4.987 -6.652) 9.873 14.124 ( -2.870 0.377 17.614) 17.851 17.561 ( -8.568 -0.967 18.528) 20.436 18.299 ( -6.593 -0.867 -20.450) 21.504 19.533 ( 4.437 -0.394 1.830) 4.815 19.700 ( 5.538 9.695 8.338) 13.935 20.274 ( 0.521 -7.217 -8.182) 10.923 22.610 ( -15.512 -3.850 4.374) 16.570 24.029 ( 6.599 16.194 -2.199) 17.625 24.428 ( 4.404 -12.181 7.255) 14.846 ======================= Grid point 647 (328/361) ======================= q-point: ( 0.40 0.20 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 11.624 6.221 6.184) 14.563 2.794 ( 8.164 -4.791 -4.208) 10.359 3.237 ( -7.461 -3.400 8.796) 12.024 3.308 ( 0.526 -3.287 3.203) 4.620 3.583 ( -7.341 -3.782 -0.160) 8.260 4.252 ( -19.095 -1.297 2.575) 19.312 4.276 ( -4.183 12.754 -1.539) 13.510 4.728 ( -1.284 -5.567 3.322) 6.608 5.160 ( 5.158 -3.951 10.510) 12.356 5.565 ( 8.521 -1.538 2.644) 9.053 6.091 ( 2.328 4.695 1.595) 5.478 6.133 ( 0.750 0.598 2.810) 2.969 6.544 ( -4.496 0.680 0.092) 4.548 6.745 ( -14.316 -7.387 2.493) 16.301 7.297 ( 0.698 2.432 -4.535) 5.193 7.797 ( -12.078 -8.922 -6.808) 16.487 9.027 ( 2.139 -12.433 0.346) 12.621 9.470 ( -2.398 7.613 16.057) 17.932 9.802 ( 8.751 0.820 1.370) 8.895 10.187 ( -12.602 3.462 14.570) 19.573 10.936 ( 22.098 3.738 -29.249) 36.848 11.190 ( -2.786 14.122 -7.223) 16.105 11.672 ( 11.614 4.212 -3.969) 12.976 12.565 ( -3.684 -0.928 2.389) 4.487 12.785 ( 1.649 -5.150 4.443) 6.999 13.188 ( -3.192 -0.244 1.426) 3.505 13.609 ( 4.281 -6.570 -6.786) 10.370 14.255 ( -3.312 2.222 10.859) 11.569 17.721 ( -4.214 -0.897 15.092) 15.695 18.007 ( -1.909 -6.377 -15.250) 16.640 19.637 ( 0.166 11.782 -1.672) 11.901 19.694 ( 13.320 4.462 0.462) 14.055 20.291 ( -1.102 -11.359 -3.872) 12.051 22.520 ( -13.926 -7.651 6.347) 17.110 23.914 ( 4.104 16.203 -4.190) 17.232 24.568 ( -5.149 -8.278 0.757) 9.778 ======================= Grid point 648 (329/361) ======================= q-point: (-0.50 0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 1.118 9.698 9.903) 13.906 2.848 ( 0.072 1.545 4.962) 5.197 3.250 ( -4.482 -8.984 -1.688) 10.181 3.411 ( 3.102 -0.295 1.931) 3.666 3.502 ( -8.813 -8.004 -2.632) 12.193 4.042 ( -2.966 3.724 -4.283) 6.404 4.169 ( -3.948 7.907 5.221) 10.264 4.788 ( -2.927 -6.896 2.343) 7.850 5.377 ( 4.608 -2.137 8.263) 9.700 5.746 ( 10.801 -1.162 2.376) 11.120 6.109 ( 8.844 3.298 -1.459) 9.551 6.250 ( 0.448 2.342 11.425) 11.671 6.533 ( 0.326 -3.400 -1.043) 3.571 6.676 ( -13.543 -11.043 8.574) 19.464 7.207 ( -1.537 3.047 -4.489) 5.639 7.732 ( -8.492 -16.515 -0.614) 18.580 9.209 ( 2.473 -13.221 4.521) 14.190 9.562 ( -2.824 8.445 16.088) 18.388 9.859 ( 5.458 8.080 -2.795) 10.144 10.173 ( -9.754 2.798 14.164) 17.424 10.853 ( 9.832 7.046 -13.332) 18.002 10.946 ( 5.229 5.272 -17.420) 18.936 11.682 ( 7.752 10.795 -6.585) 14.832 12.473 ( -10.438 0.574 -1.302) 10.534 12.936 ( 4.003 -2.706 6.418) 8.033 13.186 ( -2.340 -1.350 3.773) 4.640 13.630 ( 3.481 -4.920 -6.992) 9.231 14.245 ( -6.650 5.233 4.367) 9.523 17.667 ( 4.453 -0.130 -13.906) 14.602 18.166 ( -0.411 -13.659 17.571) 22.259 19.420 ( -4.803 12.436 -5.607) 14.462 19.878 ( 11.302 0.715 -1.576) 11.434 20.349 ( 7.426 -5.811 -3.659) 10.114 22.500 ( -14.037 -11.311 7.294) 19.448 23.759 ( 2.885 14.517 -5.547) 15.806 24.460 ( -12.260 -3.091 -5.621) 13.837 ======================= Grid point 649 (330/361) ======================= q-point: (-0.40 0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( -6.760 8.702 9.501) 14.550 2.950 ( -1.956 0.720 11.914) 12.095 3.181 ( -8.083 -3.299 -4.086) 9.639 3.389 ( -2.561 -5.851 -7.297) 9.698 3.480 ( -0.078 -5.701 -2.452) 6.206 3.927 ( 5.935 10.376 -9.245) 15.111 4.192 ( 0.919 2.844 9.564) 10.020 4.821 ( -4.278 -5.487 0.885) 7.013 5.556 ( 5.766 -0.213 7.902) 9.784 5.940 ( 9.627 -2.979 1.536) 10.194 6.245 ( 12.549 1.223 0.798) 12.634 6.352 ( -1.652 2.157 9.628) 10.004 6.569 ( 1.760 -4.601 -0.154) 4.929 6.817 ( -3.590 -15.236 12.067) 19.764 7.091 ( -3.911 3.032 -2.931) 5.752 7.792 ( -9.069 -21.251 1.087) 23.131 9.444 ( 3.859 -11.910 6.707) 14.203 9.633 ( -5.157 7.274 15.327) 17.732 9.758 ( 2.646 14.142 -3.175) 14.734 10.211 ( -5.645 3.256 12.939) 14.488 10.715 ( -8.196 6.402 1.600) 10.522 10.873 ( 21.315 -0.276 -23.316) 31.592 11.515 ( 0.843 14.971 -10.294) 18.188 12.238 ( -15.332 0.909 -5.319) 16.254 13.095 ( 5.693 0.425 6.280) 8.487 13.239 ( 1.128 0.129 4.867) 4.998 13.629 ( 2.562 -3.615 -6.134) 7.567 14.089 ( -9.436 7.000 -1.331) 11.824 17.645 ( 10.380 -1.957 -7.492) 12.950 18.494 ( -1.224 -13.135 12.289) 18.029 19.187 ( -2.404 7.295 -5.861) 9.661 19.878 ( -5.831 -2.737 -5.083) 8.205 20.598 ( 26.981 1.865 1.235) 27.074 22.472 ( -18.671 -13.562 5.054) 23.624 23.610 ( 4.161 11.982 -6.069) 14.061 24.174 ( -15.215 1.705 -8.028) 17.287 ======================= Grid point 650 (331/361) ======================= q-point: (-0.30 0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( -3.550 4.170 10.306) 11.671 3.032 ( -6.103 -1.278 -5.274) 8.167 3.047 ( -4.743 -1.263 11.134) 12.168 3.304 ( -1.264 -4.413 -8.879) 9.995 3.497 ( -0.224 -1.889 -0.519) 1.972 3.805 ( 5.558 6.469 -10.321) 13.389 4.332 ( 6.343 3.606 7.847) 10.715 4.765 ( -5.687 0.806 -2.249) 6.168 5.744 ( 4.622 -0.107 9.693) 10.739 6.083 ( 6.169 -2.919 -2.506) 7.270 6.375 ( -0.395 2.228 6.307) 6.701 6.450 ( 7.297 -1.901 0.587) 7.563 6.663 ( 4.682 -2.367 1.979) 5.607 6.938 ( -4.982 0.003 -2.646) 5.641 7.172 ( 3.355 -17.494 15.253) 23.450 7.865 ( -10.273 -24.992 -1.887) 27.087 9.586 ( -4.293 8.880 4.963) 11.041 9.648 ( 1.240 -5.518 1.612) 5.881 9.756 ( 3.039 8.008 12.684) 15.305 10.246 ( -2.052 7.506 6.645) 10.233 10.567 ( -10.913 4.962 5.616) 13.238 10.926 ( 17.217 -2.471 -16.173) 23.751 11.255 ( 3.336 14.512 -8.383) 17.088 11.898 ( -18.161 0.306 -9.642) 20.564 13.246 ( 5.146 2.317 7.356) 9.271 13.323 ( 5.623 6.105 4.291) 9.343 13.607 ( -2.319 -0.789 -2.059) 3.200 13.856 ( -6.800 1.655 -8.380) 10.918 17.791 ( 13.004 -0.644 1.025) 13.061 18.524 ( -10.811 -1.982 -5.515) 12.298 19.204 ( 9.355 -5.319 2.396) 11.025 19.707 ( -11.035 -3.315 -5.265) 12.668 21.061 ( 32.283 2.861 7.485) 33.263 22.289 ( -26.329 -11.181 -2.725) 28.735 23.533 ( 7.715 8.031 -4.288) 11.934 23.846 ( -14.156 4.322 -5.218) 15.694 ======================= Grid point 651 (332/361) ======================= q-point: (-0.20 0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 1.173 1.009 9.678) 9.801 2.912 ( -1.081 0.356 -6.810) 6.905 3.129 ( -3.090 -4.289 6.980) 8.755 3.245 ( 0.536 -5.568 -5.898) 8.129 3.498 ( -2.725 2.723 5.707) 6.885 3.702 ( 4.899 3.151 -11.841) 13.196 4.471 ( 2.548 5.134 7.158) 9.170 4.605 ( -1.688 6.468 -5.976) 8.966 5.913 ( 0.926 -0.408 9.719) 9.771 6.082 ( -0.442 -1.050 -6.806) 6.901 6.397 ( -7.067 0.377 7.967) 10.656 6.536 ( 7.086 -1.033 -5.686) 9.144 6.742 ( -5.656 0.110 6.242) 8.424 6.863 ( 4.399 -0.214 -5.121) 6.754 7.656 ( 9.219 -22.509 16.306) 29.283 7.895 ( -10.604 -26.526 -7.552) 29.549 9.552 ( -2.204 4.414 7.324) 8.831 9.644 ( -1.935 3.907 -1.653) 4.663 9.878 ( -2.630 7.929 12.130) 14.728 10.103 ( -0.364 12.196 -7.643) 14.397 10.538 ( -7.588 1.820 16.426) 18.185 10.897 ( 8.873 0.782 -17.908) 20.001 11.315 ( 18.466 4.641 5.141) 19.722 11.508 ( -16.269 -1.643 -12.402) 20.523 13.319 ( -5.532 10.236 4.499) 12.475 13.360 ( 10.099 14.236 0.053) 17.454 13.536 ( -7.695 -3.877 7.195) 11.226 13.745 ( 4.168 -8.398 -12.212) 15.396 18.023 ( 12.732 1.654 6.807) 14.531 18.221 ( -12.655 2.423 -11.669) 17.384 19.445 ( -1.515 -7.889 5.301) 9.624 19.555 ( 1.537 -4.559 -5.281) 7.144 21.612 ( 24.121 0.161 13.420) 27.603 21.879 ( -22.690 -5.157 -12.603) 26.462 23.575 ( 10.250 4.204 -1.103) 11.134 23.579 ( -11.869 4.766 -1.356) 12.862 ======================= Grid point 652 (333/361) ======================= q-point: (-0.10 0.20 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 1.354 1.859 -8.999) 9.288 2.903 ( 5.498 -0.499 7.822) 9.574 3.218 ( -2.261 -4.773 5.949) 7.955 3.251 ( 1.305 -4.048 -4.037) 5.864 3.531 ( -1.952 -0.096 2.091) 2.862 3.598 ( 3.233 3.628 -2.740) 5.579 4.335 ( -8.196 6.744 -2.063) 10.813 4.632 ( 9.969 7.871 1.570) 12.798 5.940 ( -6.525 -0.814 -7.918) 10.292 5.994 ( -5.541 -0.380 6.366) 8.448 6.366 ( -10.100 -1.250 5.975) 11.801 6.527 ( -1.121 1.483 -2.795) 3.357 6.699 ( -4.152 -3.003 0.820) 5.189 6.901 ( 6.398 2.728 -2.469) 7.380 7.846 ( -9.705 -22.920 -13.349) 28.244 8.195 ( 8.789 -23.085 13.526) 28.163 9.463 ( -8.822 9.058 -1.828) 12.776 9.612 ( 0.657 5.942 2.192) 6.367 9.748 ( -11.379 6.233 9.244) 15.930 10.023 ( 6.180 10.443 -4.746) 13.030 10.673 ( -0.386 -2.465 9.056) 9.393 10.803 ( 7.346 4.249 -5.760) 10.256 11.228 ( -1.363 -6.025 -15.713) 16.884 11.694 ( 19.838 -0.902 11.646) 23.021 13.100 ( -8.382 12.660 -0.581) 15.195 13.328 ( 5.629 11.863 -3.837) 13.680 13.639 ( -5.975 -7.556 10.444) 14.208 13.746 ( 6.365 -1.889 -8.389) 10.698 17.877 ( -13.123 1.565 -8.227) 15.567 18.305 ( 13.544 2.044 10.392) 17.194 19.344 ( -14.584 -4.938 0.671) 15.412 19.734 ( 9.797 -3.637 -0.103) 10.451 21.292 ( -28.803 -3.092 -14.476) 32.385 22.253 ( 30.698 -1.693 13.284) 33.492 23.375 ( -10.442 3.813 -0.008) 11.117 23.704 ( 11.933 3.263 1.250) 12.434 ======================= Grid point 656 (334/361) ======================= q-point: ( 0.30 0.30 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 15.402 0.000 6.985) 16.912 2.696 ( 12.732 0.000 -8.265) 15.179 3.212 ( -5.950 -0.000 -1.460) 6.126 3.277 ( -4.372 -0.000 17.334) 17.877 3.553 ( -9.187 -0.000 0.306) 9.192 4.231 ( -21.652 -0.000 0.189) 21.653 4.438 ( -6.720 -0.000 -0.519) 6.740 4.638 ( -0.440 -0.000 5.806) 5.822 5.131 ( 6.468 0.000 11.392) 13.100 5.542 ( 8.299 0.000 3.203) 8.895 6.128 ( 4.329 0.000 -8.468) 9.510 6.149 ( -1.474 -0.000 12.510) 12.596 6.559 ( -6.888 -0.000 0.101) 6.888 6.670 ( -13.231 -0.000 1.778) 13.350 7.324 ( -0.108 -0.000 -1.888) 1.891 7.706 ( -14.161 -0.000 -10.826) 17.825 8.904 ( 4.080 0.000 0.546) 4.116 9.550 ( -5.285 -0.000 17.430) 18.214 9.806 ( 12.706 0.000 1.791) 12.832 10.215 ( -15.769 -0.000 16.273) 22.660 10.962 ( 25.737 0.000 -35.099) 43.524 11.354 ( -4.952 -0.000 -11.296) 12.334 11.713 ( 15.771 0.000 -0.901) 15.796 12.554 ( -4.254 -0.000 3.016) 5.215 12.722 ( 2.432 0.000 4.834) 5.412 13.186 ( -3.680 -0.000 1.176) 3.863 13.542 ( 5.290 0.000 -5.629) 7.724 14.276 ( -3.985 -0.000 12.911) 13.512 17.712 ( -6.174 -0.000 23.400) 24.201 17.947 ( -2.411 -0.000 -23.461) 23.584 19.680 ( 12.520 0.000 -0.476) 12.529 19.877 ( -0.075 -0.000 3.734) 3.734 20.110 ( 0.596 0.000 -8.649) 8.670 22.451 ( -14.030 -0.000 6.618) 15.512 24.108 ( 2.273 0.000 -6.324) 6.720 24.448 ( -4.105 -0.000 3.905) 5.666 ======================= Grid point 657 (335/361) ======================= q-point: ( 0.40 0.30 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 9.251 2.273 2.240) 9.786 2.876 ( 2.878 0.552 3.633) 4.668 3.123 ( -5.050 -3.087 -1.892) 6.214 3.372 ( -11.031 -2.666 3.208) 11.794 3.447 ( -3.069 0.110 5.641) 6.423 4.034 ( -6.255 -1.190 1.609) 6.567 4.352 ( -0.106 7.717 1.235) 7.816 4.668 ( -6.182 -5.210 2.598) 8.491 5.350 ( 5.494 -0.538 9.530) 11.014 5.714 ( 8.585 -1.646 2.769) 9.170 6.146 ( 8.116 0.779 -2.022) 8.400 6.296 ( 0.216 1.543 12.133) 12.232 6.501 ( -3.695 0.163 0.577) 3.743 6.538 ( -10.521 -4.120 5.961) 12.775 7.272 ( -3.198 4.225 -1.237) 5.441 7.475 ( -9.691 -10.426 -4.892) 15.051 9.038 ( 6.039 -4.897 4.990) 9.239 9.670 ( -6.815 3.059 17.926) 19.420 9.971 ( 11.032 3.533 -1.446) 11.674 10.184 ( -16.396 -0.498 16.113) 22.994 10.893 ( 24.317 0.278 -31.903) 40.115 11.095 ( -4.740 6.249 -12.635) 14.871 11.862 ( 12.912 6.607 -4.468) 15.177 12.467 ( -10.445 -0.689 -0.711) 10.492 12.874 ( 4.940 -2.891 7.014) 9.053 13.155 ( -4.054 -1.263 2.803) 5.088 13.565 ( 4.964 -1.825 -4.472) 6.927 14.314 ( -8.057 1.997 7.964) 11.503 17.675 ( 3.685 0.669 -17.871) 18.259 17.981 ( -2.676 -5.798 23.312) 24.171 19.645 ( -7.043 10.069 -6.231) 13.777 19.867 ( 0.280 -2.096 -1.785) 2.768 20.226 ( 21.036 -5.516 -4.243) 22.157 22.366 ( -13.523 -3.563 7.510) 15.873 23.988 ( -0.344 8.829 -6.573) 11.012 24.375 ( -10.665 -4.740 -3.023) 12.057 ======================= Grid point 658 (336/361) ======================= q-point: ( 0.50 0.30 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( -9.825 5.598 6.578) 13.082 2.963 ( 1.625 1.565 5.579) 6.017 3.101 ( -2.008 -5.265 -1.972) 5.970 3.241 ( -6.906 -7.069 -3.739) 10.566 3.462 ( -2.192 0.770 1.044) 2.547 4.054 ( 7.136 2.961 -5.347) 9.396 4.309 ( -0.318 9.788 7.017) 12.047 4.680 ( -4.622 -9.015 2.408) 10.413 5.545 ( 5.865 -0.822 8.118) 10.048 5.869 ( 5.386 -4.158 1.842) 7.050 6.271 ( 9.311 1.117 2.408) 9.682 6.389 ( -2.537 -0.027 7.242) 7.674 6.510 ( 2.314 -0.145 4.225) 4.820 6.612 ( -0.933 -6.589 8.440) 10.748 7.144 ( -5.661 3.069 -2.266) 6.826 7.450 ( -8.761 -15.567 -0.301) 17.866 9.272 ( 6.892 -6.451 8.440) 12.663 9.743 ( -9.107 4.550 16.823) 19.663 9.986 ( 1.007 9.787 1.196) 9.911 10.207 ( -5.616 -2.906 10.185) 11.988 10.831 ( -4.912 6.090 -8.262) 11.378 10.863 ( 22.886 -0.618 -26.611) 35.104 11.816 ( 5.719 15.173 -8.435) 18.278 12.254 ( -14.994 0.536 -4.494) 15.662 13.064 ( 6.219 -3.122 5.475) 8.855 13.185 ( 0.174 -4.844 3.095) 5.751 13.590 ( 4.462 -0.234 -4.124) 6.081 14.208 ( -12.727 4.970 3.884) 14.204 17.615 ( 10.472 -1.196 -7.782) 13.102 18.298 ( -0.688 -7.725 19.227) 20.732 19.338 ( -8.923 8.568 -7.688) 14.565 19.798 ( -7.737 -5.667 -5.835) 11.226 20.613 ( 33.375 0.086 -1.611) 33.414 22.289 ( -17.083 -6.471 6.193) 19.289 23.812 ( -0.642 9.488 -5.906) 11.195 24.167 ( -13.070 -2.086 -7.145) 15.041 ======================= Grid point 659 (337/361) ======================= q-point: (-0.40 0.30 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -6.788 3.523 8.597) 11.506 2.989 ( -2.105 -2.323 -3.004) 4.342 3.027 ( -6.972 -1.648 3.892) 8.154 3.239 ( -0.368 -2.163 -4.618) 5.113 3.467 ( 2.103 -1.543 2.703) 3.756 3.946 ( 2.530 7.862 -11.690) 14.313 4.394 ( 3.294 3.357 10.022) 11.071 4.721 ( -1.693 -4.821 -0.964) 5.200 5.734 ( 4.774 -1.236 8.236) 9.600 5.992 ( 2.815 -6.483 0.246) 7.072 6.422 ( 9.342 0.643 -0.148) 9.365 6.430 ( -3.215 0.629 6.382) 7.173 6.630 ( 6.235 -0.722 3.422) 7.149 6.816 ( 2.077 -10.433 7.374) 12.943 7.025 ( -6.207 -0.103 2.730) 6.782 7.465 ( -8.878 -18.129 -2.475) 20.338 9.523 ( 5.793 -5.578 6.862) 10.572 9.722 ( -10.000 5.852 8.837) 14.572 9.946 ( -3.695 9.552 12.253) 15.970 10.295 ( 1.383 -0.566 4.710) 4.941 10.648 ( -5.838 3.922 -1.813) 7.263 10.885 ( 19.936 -1.831 -21.194) 29.154 11.586 ( 2.789 19.187 -8.722) 21.260 11.933 ( -16.564 3.117 -7.504) 18.450 13.201 ( -1.783 -4.422 7.460) 8.854 13.357 ( 12.000 -6.475 -0.467) 13.643 13.589 ( 4.804 3.786 -3.710) 7.153 13.972 ( -15.737 7.562 0.568) 17.469 17.779 ( 14.199 -0.635 2.875) 14.501 18.479 ( -6.014 -2.767 3.606) 7.538 19.145 ( -0.941 -1.029 -0.725) 1.572 19.631 ( -9.193 -4.675 -7.985) 13.043 21.104 ( 35.786 1.719 2.220) 35.896 22.114 ( -24.286 -7.487 1.367) 25.451 23.677 ( 2.257 7.259 -4.176) 8.673 23.900 ( -11.959 1.680 -6.004) 13.487 ======================= Grid point 660 (338/361) ======================= q-point: (-0.30 0.30 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( -0.841 1.285 8.832) 8.965 2.915 ( 0.676 -0.229 -5.568) 5.614 3.068 ( -1.067 -2.353 4.470) 5.163 3.158 ( -1.751 -3.520 -5.122) 6.457 3.554 ( -1.529 3.274 8.070) 8.842 3.770 ( 2.827 3.844 -12.071) 12.979 4.530 ( 0.101 1.401 8.244) 8.363 4.679 ( 2.349 1.896 -6.391) 7.068 5.898 ( 1.210 -1.715 8.479) 8.735 6.035 ( -1.182 -4.403 -4.506) 6.409 6.417 ( -6.419 1.600 5.392) 8.534 6.523 ( 7.903 -0.485 -4.280) 9.001 6.743 ( -4.187 0.015 6.239) 7.514 6.843 ( 1.333 -1.956 -3.334) 4.089 7.273 ( 8.466 -17.915 12.390) 23.369 7.460 ( -7.771 -19.891 -6.817) 22.417 9.627 ( -8.183 3.705 5.861) 10.726 9.672 ( 3.551 0.138 1.322) 3.791 10.003 ( -6.162 5.903 18.121) 20.030 10.290 ( 0.412 6.591 -7.968) 10.349 10.562 ( -8.832 0.943 10.591) 13.823 10.902 ( 15.693 -0.324 -18.960) 24.614 11.469 ( 11.036 11.752 -0.372) 16.126 11.564 ( -11.962 7.445 -8.523) 16.467 13.323 ( -3.191 -6.969 9.598) 12.283 13.504 ( 1.134 -7.059 -6.805) 9.870 13.619 ( 8.514 12.451 2.312) 15.260 13.672 ( -7.271 6.174 -3.589) 10.192 18.056 ( 13.646 1.775 8.882) 16.379 18.268 ( -12.477 2.547 -10.397) 16.440 19.293 ( 1.039 -8.193 7.567) 11.201 19.468 ( -0.622 -4.650 -8.889) 10.051 21.614 ( 16.743 0.117 8.184) 18.636 21.782 ( -13.274 -5.221 -8.220) 16.463 23.648 ( -0.252 3.808 -0.185) 3.821 23.673 ( -3.257 4.958 -2.493) 6.435 ======================= Grid point 661 (339/361) ======================= q-point: (-0.20 -0.70 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( 4.200 2.947 -8.768) 10.159 2.890 ( 3.451 -0.807 8.082) 8.824 3.129 ( -0.109 -4.661 4.974) 6.818 3.186 ( 2.909 -2.903 -0.905) 4.208 3.532 ( -6.617 0.900 2.854) 7.262 3.687 ( 4.927 5.044 -4.387) 8.304 4.447 ( -7.826 5.129 -2.827) 9.775 4.731 ( 9.602 2.548 0.339) 9.940 5.922 ( -6.801 -1.394 -7.241) 10.031 5.988 ( -4.450 -0.894 6.095) 7.600 6.355 ( -9.588 0.309 4.257) 10.496 6.550 ( 3.301 0.937 -4.984) 6.051 6.656 ( -9.570 -1.598 2.249) 9.960 6.926 ( 7.139 -0.615 -0.914) 7.223 7.425 ( -7.030 -21.030 -9.868) 24.271 7.763 ( 12.120 -22.988 8.755) 27.423 9.584 ( -4.950 2.039 4.423) 6.945 9.654 ( -3.227 4.139 1.094) 5.361 9.962 ( -11.253 13.108 -0.482) 17.282 10.159 ( 2.239 3.626 3.972) 5.825 10.600 ( -9.588 -5.189 9.086) 14.192 10.892 ( 15.166 3.679 -12.634) 20.079 11.230 ( -5.134 8.212 -7.233) 12.087 11.716 ( 20.607 3.515 7.220) 22.117 13.332 ( -11.632 11.659 -1.261) 16.517 13.452 ( 0.093 -0.867 -7.811) 7.860 13.472 ( -5.490 -9.867 10.044) 15.113 13.791 ( 15.486 8.577 -1.139) 17.739 17.909 ( -14.181 1.760 -9.853) 17.357 18.349 ( 12.955 2.633 9.890) 16.510 19.257 ( -10.796 -4.125 -1.012) 11.602 19.639 ( 13.120 -6.675 0.818) 14.743 21.230 ( -32.251 -3.399 -8.714) 33.580 22.206 ( 31.760 -3.360 4.955) 32.319 23.474 ( -9.474 6.754 1.388) 11.717 23.762 ( 10.329 2.776 2.917) 11.086 ======================= Grid point 662 (340/361) ======================= q-point: (-0.10 0.30 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 4.220 5.427 -11.236) 13.173 3.059 ( 0.791 -1.564 10.091) 10.242 3.169 ( -0.388 -0.004 -8.063) 8.072 3.274 ( 2.395 -1.576 7.499) 8.029 3.516 ( 0.870 -3.129 2.437) 4.060 3.676 ( 1.451 3.491 2.127) 4.338 4.273 ( -1.706 4.281 -4.081) 6.156 4.830 ( 6.888 4.342 0.938) 8.196 5.712 ( -10.663 -0.677 -6.885) 12.711 5.926 ( -12.073 1.398 2.823) 12.477 6.241 ( -12.852 -1.536 2.033) 13.102 6.458 ( -6.520 1.074 -0.660) 6.641 6.643 ( 1.935 -4.181 -2.055) 5.045 6.992 ( 5.105 3.133 -0.811) 6.044 7.398 ( -3.301 -18.865 -11.724) 22.456 8.205 ( 7.640 -23.089 3.776) 24.611 9.419 ( -10.660 12.908 0.764) 16.758 9.653 ( -2.058 6.494 -2.236) 7.169 9.724 ( -4.968 -3.747 5.022) 7.996 10.107 ( -6.977 13.219 -0.834) 14.970 10.615 ( -3.874 -9.003 3.991) 10.583 11.001 ( 16.012 -1.597 -6.680) 17.423 11.124 ( 7.873 5.466 -2.364) 9.872 12.096 ( 18.786 -0.313 8.176) 20.491 13.081 ( -6.168 9.555 -1.848) 11.522 13.340 ( -0.907 3.270 -7.358) 8.102 13.593 ( -5.565 -7.414 8.062) 12.286 13.875 ( 9.917 10.604 -0.108) 14.519 17.628 ( -12.585 -0.650 -2.752) 12.899 18.640 ( 11.943 -0.844 10.179) 15.715 19.120 ( -8.909 -1.518 -2.997) 9.521 19.823 ( 2.299 -0.444 2.789) 3.642 20.732 ( -20.922 -3.561 -11.979) 24.370 22.744 ( 26.569 -9.475 5.158) 28.676 23.291 ( -10.293 8.787 2.592) 13.779 23.957 ( 12.752 4.078 6.220) 14.763 ======================= Grid point 667 (341/361) ======================= q-point: ( 0.40 0.40 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( -11.849 -0.000 6.081) 13.319 3.010 ( 10.949 0.000 3.231) 11.416 3.019 ( -2.519 -0.000 -3.275) 4.132 3.170 ( -11.078 -0.000 -1.043) 11.127 3.473 ( -4.441 -0.000 2.440) 5.067 4.073 ( 8.232 0.000 -1.953) 8.460 4.477 ( 7.316 0.000 2.413) 7.703 4.528 ( -13.583 -0.000 4.983) 14.468 5.536 ( 5.786 0.000 7.839) 9.743 5.823 ( 3.488 0.000 2.003) 4.022 6.281 ( 8.219 0.000 2.949) 8.732 6.371 ( -3.402 -0.000 5.935) 6.841 6.544 ( 3.916 0.000 0.970) 4.034 6.546 ( -0.944 -0.000 12.749) 12.784 7.210 ( -9.585 -0.000 -3.787) 10.306 7.260 ( -4.665 -0.000 0.852) 4.743 9.213 ( 8.354 0.000 8.850) 12.170 9.787 ( -10.615 -0.000 18.150) 21.026 10.124 ( -18.190 -0.000 15.853) 24.129 10.124 ( 13.331 0.000 -5.009) 14.241 10.857 ( 23.367 0.000 -27.842) 36.348 10.897 ( -4.541 -0.000 -11.590) 12.448 11.974 ( 7.351 0.000 -8.027) 10.885 12.256 ( -13.981 -0.000 -3.987) 14.539 13.024 ( 8.742 0.000 3.428) 9.391 13.130 ( -4.047 -0.000 3.949) 5.654 13.594 ( 5.655 0.000 -2.234) 6.080 14.254 ( -13.320 -0.000 5.239) 14.314 17.604 ( 10.481 0.000 -8.013) 13.193 18.226 ( -0.677 -0.000 21.779) 21.790 19.441 ( -13.775 -0.000 -8.548) 16.212 19.722 ( -6.182 -0.000 -5.983) 8.603 20.612 ( 35.992 0.000 -2.302) 36.065 22.231 ( -16.448 -0.000 6.269) 17.602 23.914 ( -3.260 -0.000 -6.373) 7.158 24.133 ( -11.482 -0.000 -6.162) 13.031 ======================= Grid point 668 (342/361) ======================= q-point: ( 0.50 0.40 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -8.474 1.290 7.256) 11.230 2.966 ( -2.743 0.119 -2.360) 3.621 2.990 ( -4.457 -2.063 -0.191) 4.915 3.222 ( 2.515 -0.146 0.066) 2.520 3.444 ( 1.936 -0.749 3.081) 3.715 4.056 ( 1.261 3.428 -12.165) 12.701 4.453 ( -5.492 2.598 12.085) 13.526 4.630 ( 5.915 -3.873 -0.655) 7.100 5.707 ( 4.358 -1.156 6.891) 8.235 5.886 ( 0.605 -3.802 1.546) 4.149 6.417 ( 4.618 -0.130 2.866) 5.437 6.427 ( 0.667 -1.073 4.068) 4.259 6.639 ( 6.267 0.569 2.753) 6.869 6.706 ( 2.652 -1.600 9.106) 9.619 7.040 ( -9.299 1.058 0.414) 9.368 7.224 ( -4.850 -7.612 -2.671) 9.412 9.456 ( 7.839 -1.816 8.926) 12.017 9.797 ( -13.822 2.210 11.919) 18.385 10.071 ( -13.385 3.846 17.017) 21.989 10.265 ( 12.242 -1.712 -4.191) 13.053 10.707 ( -6.093 1.999 -4.670) 7.933 10.863 ( 21.500 -0.613 -22.959) 31.461 11.864 ( 1.055 9.108 -9.710) 13.354 11.988 ( -13.664 1.996 -5.556) 14.885 13.136 ( -3.045 -1.733 5.192) 6.264 13.209 ( 9.680 -6.377 -2.295) 11.817 13.668 ( 9.113 2.786 -0.157) 9.531 14.073 ( -17.225 2.977 3.045) 17.744 17.770 ( 14.991 -0.275 3.955) 15.507 18.437 ( -2.620 -1.409 9.763) 10.206 19.151 ( -10.489 0.832 -3.437) 11.069 19.557 ( -5.565 -2.659 -9.357) 11.207 21.124 ( 38.193 0.473 -0.836) 38.206 22.023 ( -23.423 -2.494 2.860) 23.729 23.780 ( -3.001 3.381 -3.660) 5.817 23.911 ( -8.541 -0.152 -6.270) 10.596 ======================= Grid point 669 (343/361) ======================= q-point: (-0.40 0.40 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( -1.087 1.216 7.077) 7.262 2.899 ( 0.959 -1.285 -3.661) 3.997 3.039 ( 3.215 -1.014 3.358) 4.758 3.123 ( -5.797 -0.620 -5.032) 7.702 3.610 ( 4.201 2.521 9.497) 10.686 3.828 ( -4.869 2.332 -11.519) 12.721 4.537 ( -2.368 -0.204 8.516) 8.842 4.691 ( 6.939 -0.126 -6.423) 9.456 5.848 ( 1.005 -3.224 6.257) 7.110 5.934 ( -1.393 -5.672 -1.520) 6.036 6.440 ( -4.584 0.700 3.379) 5.738 6.509 ( 5.685 -1.262 -2.150) 6.208 6.747 ( -0.441 0.527 4.980) 5.027 6.798 ( -3.235 -2.290 0.212) 3.969 7.048 ( 4.681 -6.604 8.213) 11.531 7.195 ( -1.367 -9.269 -7.006) 11.699 9.667 ( 5.591 0.075 5.560) 7.885 9.684 ( -10.320 1.911 4.996) 11.624 10.085 ( -13.808 3.012 19.755) 24.290 10.353 ( 7.109 1.319 -7.424) 10.363 10.574 ( -11.009 0.341 4.699) 11.975 10.893 ( 19.776 -0.437 -20.350) 28.380 11.691 ( -3.664 10.710 -2.389) 11.569 11.730 ( 1.126 8.819 -5.853) 10.644 13.189 ( -5.234 -6.305 7.090) 10.836 13.333 ( 5.254 -8.809 -6.872) 12.346 13.802 ( -4.520 6.930 1.808) 8.469 13.811 ( 2.465 6.487 1.072) 7.022 18.083 ( 14.973 1.115 10.485) 18.313 18.308 ( -12.744 1.714 -9.546) 16.014 19.166 ( 0.753 -5.233 9.645) 10.999 19.396 ( -0.508 -2.985 -11.539) 11.930 21.620 ( 6.956 0.632 2.932) 7.575 21.698 ( -1.744 -3.875 -4.708) 6.343 23.706 ( -2.339 2.346 0.799) 3.408 23.748 ( -2.463 3.009 -3.050) 4.942 ======================= Grid point 670 (344/361) ======================= q-point: (-0.30 -0.60 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 2.197 -0.023 6.787) 7.133 2.899 ( 6.876 2.014 -8.308) 10.971 3.047 ( 0.590 -4.323 1.313) 4.556 3.157 ( 3.408 -0.249 3.677) 5.019 3.555 ( -9.503 1.138 -2.798) 9.971 3.772 ( 3.886 4.218 3.071) 6.506 4.521 ( -5.033 3.148 -1.399) 6.099 4.735 ( 8.600 -1.398 -3.717) 9.473 5.879 ( -5.772 -3.322 -5.800) 8.832 5.940 ( -3.408 -4.282 4.928) 7.365 6.378 ( -8.368 1.811 3.445) 9.229 6.553 ( 5.620 -0.931 -5.407) 7.854 6.643 ( -12.321 0.127 1.706) 12.439 6.854 ( -0.175 -6.523 1.400) 6.674 7.166 ( 2.359 -6.498 -8.540) 10.987 7.397 ( 13.174 -16.257 5.183) 21.557 9.577 ( -8.017 -0.983 2.714) 8.521 9.766 ( 0.962 6.448 2.346) 6.928 10.124 ( -11.250 0.755 17.063) 20.452 10.210 ( -0.445 6.152 -12.530) 13.965 10.508 ( -16.928 -4.289 11.843) 21.100 10.922 ( 19.925 0.523 -19.499) 27.884 11.481 ( -3.861 16.115 1.587) 16.646 11.813 ( 17.693 6.323 3.263) 19.070 13.265 ( -9.070 -10.372 6.870) 15.396 13.359 ( 1.450 -7.042 -7.303) 10.248 13.537 ( -11.306 8.581 1.836) 14.312 13.980 ( 16.982 9.740 0.305) 19.580 17.937 ( -15.468 1.225 -11.633) 19.392 18.395 ( 12.059 2.197 9.368) 15.427 19.210 ( -4.044 -0.644 -2.571) 4.835 19.500 ( 13.353 -8.183 2.375) 15.840 21.175 ( -34.366 -2.494 -4.827) 34.793 22.141 ( 31.187 -3.348 -1.393) 31.397 23.606 ( -5.796 7.149 2.886) 9.645 23.797 ( 7.407 0.861 3.836) 8.385 ======================= Grid point 671 (345/361) ======================= q-point: (-0.20 -0.60 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 4.396 3.823 -7.636) 9.604 3.024 ( 2.246 -1.718 6.735) 7.304 3.149 ( 0.644 -2.236 -2.657) 3.532 3.244 ( 5.820 -2.194 5.812) 8.513 3.449 ( -2.780 -1.881 0.748) 3.439 3.795 ( 1.564 7.327 3.086) 8.103 4.363 ( -1.722 5.467 -7.032) 9.072 4.835 ( 5.520 -3.207 -0.873) 6.444 5.705 ( -8.887 -0.373 -6.756) 11.170 5.929 ( -9.358 -1.887 2.475) 9.862 6.246 ( -11.599 2.367 0.804) 11.865 6.476 ( -9.436 0.786 0.695) 9.494 6.580 ( 3.134 -2.656 -4.846) 6.353 6.945 ( 1.119 -12.087 -0.984) 12.179 7.152 ( 4.126 -2.755 -7.937) 9.361 7.799 ( 12.150 -20.661 1.257) 24.001 9.541 ( -5.921 -7.749 -0.886) 9.793 9.657 ( -6.853 11.597 4.897) 14.333 9.896 ( -5.977 12.664 -7.405) 15.841 10.240 ( -4.041 1.298 5.989) 7.341 10.455 ( -16.405 -7.406 13.575) 22.544 10.976 ( 20.390 -0.853 -17.767) 27.058 11.348 ( 1.146 17.194 5.213) 18.004 12.115 ( 19.142 2.142 6.309) 20.268 13.189 ( -9.733 0.124 -2.197) 9.978 13.337 ( -0.510 -3.306 -5.367) 6.324 13.476 ( -4.550 -2.347 8.713) 10.106 14.097 ( 14.025 11.980 -1.438) 18.502 17.614 ( -13.779 -0.825 -4.768) 14.604 18.611 ( 8.272 -2.127 2.381) 8.867 19.139 ( 0.113 3.789 -1.501) 4.077 19.780 ( 8.597 -4.498 4.092) 10.530 20.666 ( -28.494 -3.390 -6.085) 29.333 22.562 ( 24.211 -9.379 -3.581) 26.210 23.491 ( -5.862 11.913 5.395) 14.332 24.005 ( 11.729 1.086 8.279) 14.398 ======================= Grid point 672 (346/361) ======================= q-point: (-0.10 -0.60 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 1.733 8.070 -10.653) 13.476 2.991 ( -6.591 -2.844 -4.867) 8.672 3.198 ( -2.515 3.526 9.439) 10.385 3.392 ( 4.163 -1.520 2.547) 5.112 3.569 ( 4.895 -8.113 7.179) 11.888 3.771 ( 3.273 9.223 0.265) 9.790 4.269 ( 6.303 1.475 -5.827) 8.710 4.906 ( 1.045 -2.224 -0.135) 2.461 5.497 ( -8.979 2.096 -4.136) 10.105 5.768 ( -14.300 2.170 -0.234) 14.465 6.052 ( -12.705 0.289 -0.069) 12.708 6.368 ( -5.762 0.145 -0.518) 5.787 6.600 ( 1.213 -5.031 -2.566) 5.776 7.060 ( 3.418 -4.315 -0.557) 5.533 7.149 ( 5.835 -6.747 -8.567) 12.367 8.105 ( 5.046 -19.428 -2.198) 20.192 9.374 ( -14.318 10.100 1.449) 17.582 9.638 ( 1.310 -0.015 -3.578) 3.811 9.706 ( 0.086 -0.664 2.618) 2.702 10.059 ( -16.087 12.126 3.235) 20.404 10.569 ( -3.787 -8.917 10.435) 14.239 11.052 ( 21.315 -1.145 -20.354) 29.495 11.351 ( 2.095 6.683 9.360) 11.690 12.401 ( 13.369 1.759 2.820) 13.776 13.045 ( -2.801 2.820 -3.531) 5.317 13.272 ( -0.111 1.370 -4.778) 4.971 13.562 ( -4.916 -5.527 9.239) 11.836 14.122 ( 9.157 13.659 -1.749) 16.538 17.467 ( -9.971 -1.996 5.997) 11.805 18.716 ( 2.801 -10.004 -9.165) 13.854 19.122 ( 4.413 8.334 4.454) 10.430 19.805 ( -12.750 2.993 2.403) 13.315 20.409 ( -3.235 -5.458 -3.325) 7.163 22.903 ( 15.348 -15.432 -6.582) 22.739 23.360 ( -5.144 14.573 7.426) 17.146 24.284 ( 12.932 3.288 10.061) 16.711 ======================= Grid point 678 (347/361) ======================= q-point: (-0.50 -0.50 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( 0.257 0.000 5.722) 5.727 2.883 ( -0.504 -0.000 -2.317) 2.372 3.030 ( 4.792 0.000 3.380) 5.863 3.120 ( -7.115 -0.000 -5.401) 8.932 3.635 ( 8.150 0.000 9.843) 12.779 3.850 ( -9.871 -0.000 -10.981) 14.766 4.533 ( -2.789 -0.000 8.522) 8.967 4.688 ( 8.448 0.000 -6.370) 10.581 5.812 ( 0.769 0.000 5.138) 5.195 5.874 ( -1.326 -0.000 -0.301) 1.359 6.445 ( -3.109 -0.000 2.548) 4.020 6.491 ( 3.800 0.000 -0.750) 3.873 6.752 ( 1.636 0.000 4.583) 4.866 6.780 ( -5.307 -0.000 1.815) 5.609 6.996 ( 1.844 0.000 5.654) 5.947 7.111 ( 2.438 0.000 -6.853) 7.274 9.667 ( 8.793 0.000 7.133) 11.322 9.703 ( -13.765 -0.000 4.869) 14.601 10.112 ( -17.166 -0.000 20.380) 26.646 10.362 ( 10.714 0.000 -8.245) 13.519 10.576 ( -12.321 -0.000 3.217) 12.734 10.889 ( 20.926 0.000 -20.867) 29.552 11.800 ( -6.452 -0.000 -2.455) 6.903 11.821 ( 3.630 0.000 -5.436) 6.537 13.127 ( -5.814 -0.000 5.588) 8.064 13.241 ( 5.930 0.000 -5.604) 8.159 13.864 ( -18.075 -0.000 2.339) 18.226 13.875 ( 15.644 0.000 1.388) 15.705 18.094 ( 15.613 0.000 11.093) 19.153 18.325 ( -12.916 -0.000 -9.277) 15.902 19.116 ( 0.217 0.000 10.472) 10.474 19.367 ( -0.152 -0.000 -12.469) 12.470 21.639 ( -30.684 -0.000 -0.938) 30.698 21.648 ( 36.555 0.000 -1.704) 36.595 23.728 ( -2.625 -0.000 1.211) 2.891 23.776 ( -2.610 -0.000 -3.196) 4.127 ======================= Grid point 679 (348/361) ======================= q-point: (-0.40 -0.50 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 4.918 1.346 2.161) 5.538 2.921 ( 8.562 0.309 -3.196) 9.144 2.979 ( -3.394 -2.607 -1.098) 4.419 3.162 ( 3.747 0.361 5.070) 6.315 3.564 ( -11.192 -0.006 -7.325) 13.377 3.834 ( 2.751 2.096 9.478) 10.089 4.563 ( -2.762 1.286 1.930) 3.607 4.706 ( 8.401 -1.166 -9.084) 12.428 5.820 ( -4.602 -2.288 -3.952) 6.483 5.864 ( -2.756 -2.886 3.477) 5.293 6.404 ( -6.518 0.795 2.794) 7.136 6.519 ( 3.338 -1.857 -3.900) 5.459 6.650 ( -12.087 0.327 0.507) 12.102 6.775 ( -4.360 -1.458 1.625) 4.876 7.118 ( 9.154 -0.618 -6.753) 11.392 7.192 ( 12.188 -5.870 2.374) 13.735 9.564 ( -10.062 -0.339 0.197) 10.069 9.866 ( 8.381 3.804 4.795) 10.378 10.080 ( -16.672 -2.742 14.078) 21.992 10.314 ( 0.247 3.380 -9.721) 10.295 10.453 ( -20.007 -1.723 13.412) 24.148 10.927 ( 20.795 0.116 -20.406) 29.135 11.727 ( -0.906 8.658 3.803) 9.500 11.904 ( 13.338 2.600 1.699) 13.694 13.117 ( -8.631 -4.744 5.661) 11.360 13.248 ( 2.553 -3.905 -5.509) 7.219 13.646 ( -13.496 3.136 2.255) 14.037 14.106 ( 16.979 3.666 0.083) 17.370 17.952 ( -16.370 0.407 -12.797) 20.782 18.424 ( 11.229 0.843 8.944) 14.381 19.237 ( 4.488 3.217 -5.989) 8.146 19.359 ( 9.290 -6.585 6.161) 12.947 21.143 ( -35.082 -0.907 -3.210) 35.240 22.096 ( 30.422 -1.381 -4.335) 30.761 23.719 ( -1.252 4.921 3.015) 5.906 23.788 ( 3.639 -1.828 4.813) 6.304 ======================= Grid point 680 (349/361) ======================= q-point: (-0.30 -0.50 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( -1.419 1.246 0.034) 1.889 3.008 ( 8.284 -0.078 -1.100) 8.357 3.100 ( -1.963 -2.648 -0.863) 3.408 3.186 ( 5.183 -3.581 1.575) 6.493 3.457 ( 1.773 1.832 0.878) 2.696 3.910 ( -1.005 4.690 6.781) 8.306 4.467 ( -1.198 5.521 -6.348) 8.497 4.751 ( 5.913 -4.993 -4.971) 9.198 5.687 ( -6.934 -1.468 -6.139) 9.377 5.866 ( -6.972 -3.986 2.053) 8.289 6.305 ( -8.903 3.072 0.397) 9.427 6.484 ( -12.366 0.125 2.913) 12.706 6.534 ( 5.079 -2.977 -6.893) 9.065 6.738 ( -2.963 -6.447 -2.386) 7.486 7.172 ( 8.692 2.276 -4.668) 10.125 7.479 ( 14.054 -13.669 -1.619) 19.671 9.425 ( -8.556 -4.498 -4.977) 10.872 9.842 ( -8.976 8.606 7.488) 14.515 10.101 ( -1.299 7.572 -11.973) 14.226 10.193 ( 0.294 -4.017 10.498) 11.244 10.365 ( -24.392 -2.799 19.733) 31.499 10.971 ( 20.239 0.236 -18.520) 27.435 11.665 ( -2.393 15.255 6.517) 16.760 12.156 ( 17.584 1.732 4.535) 18.241 13.100 ( -8.845 -6.570 2.533) 11.305 13.253 ( 1.055 -4.719 -4.162) 6.380 13.510 ( -6.645 3.223 4.095) 8.445 14.273 ( 14.812 6.856 -2.221) 16.472 17.601 ( -14.558 -0.566 -6.292) 15.869 18.573 ( 5.949 -1.744 -4.789) 7.833 19.248 ( 9.172 7.492 -0.068) 11.843 19.664 ( 10.880 -7.653 6.476) 14.794 20.616 ( -33.875 -1.949 -2.777) 34.044 22.425 ( 22.303 -5.273 -7.302) 24.053 23.693 ( -1.353 9.551 5.754) 11.232 23.997 ( 9.976 -1.863 9.294) 13.761 ======================= Grid point 681 (350/361) ======================= q-point: (-0.20 -0.50 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( -2.526 3.953 -3.070) 5.606 2.910 ( -12.271 -5.423 -1.472) 13.496 3.191 ( 5.792 -3.649 3.217) 7.564 3.405 ( 8.851 -0.275 2.177) 9.119 3.473 ( 3.795 1.225 0.747) 4.057 3.936 ( 3.531 6.844 4.370) 8.855 4.330 ( 4.591 5.188 -8.947) 11.316 4.818 ( 0.880 -6.028 -1.016) 6.176 5.523 ( -5.298 0.192 -6.182) 8.144 5.768 ( -12.294 -1.510 0.051) 12.387 6.110 ( -10.960 4.512 -1.507) 11.948 6.380 ( -7.755 1.274 2.778) 8.336 6.525 ( 1.422 -2.985 -5.591) 6.495 6.818 ( 6.748 -13.600 -3.772) 15.644 7.198 ( 6.329 4.774 -3.186) 8.544 7.766 ( 10.007 -17.240 -3.622) 20.260 9.306 ( -8.054 -10.591 -4.519) 14.052 9.744 ( -7.906 9.558 7.236) 14.360 9.844 ( -1.837 10.255 -8.817) 13.648 10.198 ( -19.353 3.937 13.128) 23.715 10.438 ( -2.681 -5.986 12.807) 14.389 11.041 ( 19.818 0.278 -15.887) 25.401 11.553 ( -4.713 13.626 6.158) 15.679 12.430 ( 14.327 1.007 2.850) 14.642 13.044 ( -4.661 -2.946 -2.753) 6.163 13.250 ( -0.145 -2.830 -3.130) 4.222 13.497 ( -3.845 -1.442 6.483) 7.674 14.340 ( 11.226 9.581 -4.596) 15.457 17.433 ( -9.438 -1.524 5.967) 11.270 18.552 ( 5.065 -7.497 -16.322) 18.662 19.312 ( 7.430 12.093 4.361) 14.848 19.838 ( -7.079 0.230 2.546) 7.527 20.278 ( -11.260 -8.358 1.804) 14.139 22.664 ( 16.265 -10.262 -8.816) 21.156 23.633 ( -3.237 14.330 6.739) 16.163 24.301 ( 12.368 -1.278 10.026) 15.973 ======================= Grid point 682 (351/361) ======================= q-point: (-0.10 -0.50 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( -11.846 4.609 -7.751) 14.888 2.843 ( -7.178 -5.688 1.313) 9.252 3.302 ( -0.166 3.906 3.915) 5.533 3.408 ( 2.893 -1.986 -2.048) 4.063 3.657 ( 5.436 -6.903 4.354) 9.806 3.968 ( 6.877 14.242 1.317) 15.870 4.339 ( 12.085 -0.542 -4.223) 12.813 4.839 ( -4.432 -3.950 0.359) 5.948 5.385 ( -3.432 1.297 -5.628) 6.719 5.581 ( -11.937 1.138 0.083) 11.991 5.928 ( -8.573 3.346 2.569) 9.555 6.281 ( -3.126 0.996 -4.678) 5.714 6.524 ( -2.815 -4.681 1.282) 5.611 7.024 ( 10.301 -11.299 -4.209) 15.859 7.191 ( 5.086 5.277 -3.020) 7.927 7.980 ( 4.048 -14.902 -0.965) 15.472 9.230 ( -12.853 -0.682 0.888) 12.901 9.604 ( 4.020 -2.531 -6.650) 8.172 9.752 ( -1.494 2.778 2.203) 3.848 10.010 ( -18.152 12.374 11.596) 24.841 10.591 ( -3.272 -4.627 10.056) 11.543 11.098 ( 17.579 2.550 -17.102) 24.657 11.484 ( -3.376 3.620 6.123) 7.874 12.580 ( 6.880 2.353 -0.412) 7.283 12.958 ( -2.127 -0.775 -5.749) 6.179 13.227 ( -1.348 -1.106 -1.360) 2.212 13.585 ( -1.150 -5.453 7.903) 9.670 14.310 ( 7.762 11.077 -6.167) 14.865 17.492 ( -3.761 0.293 15.694) 16.141 18.457 ( 2.991 -9.872 -20.945) 23.348 19.340 ( 4.022 10.315 4.152) 11.825 19.644 ( -12.754 2.051 1.410) 12.994 20.385 ( 3.372 -6.566 2.841) 7.909 22.857 ( 10.846 -11.330 -7.981) 17.598 23.515 ( -4.469 14.506 5.778) 16.241 24.579 ( 9.104 -0.208 7.532) 11.818 ======================= Grid point 689 (352/361) ======================= q-point: (-0.40 -0.40 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( -4.357 -0.000 3.084) 5.338 3.012 ( 12.668 0.000 -3.897) 13.254 3.071 ( -6.840 -0.000 -1.634) 7.033 3.146 ( 5.522 0.000 0.802) 5.580 3.479 ( 5.425 0.000 1.009) 5.518 3.954 ( -2.712 -0.000 7.710) 8.173 4.530 ( -2.701 -0.000 -2.578) 3.734 4.693 ( 8.471 0.000 -9.611) 12.811 5.669 ( -6.277 -0.000 -5.617) 8.423 5.823 ( -5.714 -0.000 1.946) 6.036 6.335 ( -7.370 -0.000 -0.121) 7.371 6.485 ( -12.856 -0.000 3.288) 13.270 6.494 ( 4.314 0.000 -5.890) 7.301 6.699 ( -3.975 -0.000 -2.689) 4.799 7.203 ( 10.339 0.000 -3.124) 10.801 7.339 ( 14.002 0.000 -4.378) 14.670 9.384 ( -9.903 -0.000 -6.392) 11.787 9.946 ( -17.602 -0.000 11.995) 21.300 10.090 ( 14.593 0.000 -6.057) 15.800 10.212 ( -4.859 -0.000 0.338) 4.870 10.338 ( -25.760 -0.000 21.720) 33.695 10.976 ( 19.819 0.000 -17.646) 26.537 11.824 ( -3.711 -0.000 6.740) 7.694 12.167 ( 16.000 0.000 4.162) 16.532 13.033 ( -6.742 -0.000 2.902) 7.340 13.201 ( 1.342 0.000 -3.425) 3.679 13.543 ( -8.092 -0.000 3.192) 8.699 14.337 ( 14.902 0.000 -2.544) 15.118 17.595 ( -14.795 -0.000 -6.847) 16.303 18.556 ( 5.396 0.000 -7.523) 9.258 19.351 ( 16.187 0.000 -1.854) 16.293 19.560 ( 7.596 0.000 9.868) 12.453 20.598 ( -35.578 -0.000 -1.891) 35.628 22.376 ( 21.627 0.000 -8.225) 23.139 23.798 ( 0.659 0.000 4.971) 5.014 23.964 ( 8.960 0.000 10.321) 13.668 ======================= Grid point 690 (353/361) ======================= q-point: (-0.30 -0.40 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( -17.823 -3.104 -1.008) 18.119 2.882 ( -6.573 0.771 4.581) 8.049 3.136 ( 9.304 -1.653 -3.159) 9.964 3.365 ( 14.081 -1.567 1.576) 14.255 3.557 ( 6.165 3.814 -2.663) 7.723 4.001 ( 2.609 0.932 4.328) 5.139 4.434 ( 1.453 4.561 -6.128) 7.776 4.723 ( 4.100 -3.554 -3.442) 6.426 5.514 ( -4.786 -0.619 -6.959) 8.468 5.738 ( -9.623 -1.234 0.422) 9.711 6.168 ( -10.036 1.515 -3.624) 10.778 6.407 ( -8.607 1.183 8.195) 11.943 6.492 ( 3.154 -0.963 -8.040) 8.690 6.646 ( 4.127 -4.462 -3.261) 6.897 7.293 ( 9.146 5.650 -1.875) 10.913 7.498 ( 12.020 -11.107 -6.899) 17.761 9.161 ( -10.310 -4.313 -6.766) 13.064 9.862 ( -11.642 3.500 9.563) 15.467 9.997 ( 0.502 4.482 -12.978) 13.739 10.246 ( -24.450 2.023 23.421) 33.918 10.347 ( 3.336 -3.560 7.872) 9.261 11.060 ( 18.373 1.152 -11.393) 21.649 11.763 ( -9.836 7.132 5.565) 13.364 12.430 ( 13.581 -0.589 2.580) 13.837 12.985 ( -2.870 -2.004 -2.521) 4.314 13.199 ( 1.093 -2.119 -1.824) 3.002 13.490 ( -5.318 0.102 3.659) 6.456 14.459 ( 11.832 3.283 -5.976) 13.656 17.414 ( -8.998 -0.552 5.962) 10.808 18.456 ( 5.959 -2.750 -20.825) 21.835 19.535 ( 12.087 10.660 4.005) 16.606 19.797 ( 4.407 -4.667 5.056) 8.171 20.145 ( -26.280 -4.676 2.558) 26.815 22.538 ( 15.945 -3.461 -9.639) 18.951 23.844 ( -1.020 7.342 7.362) 10.447 24.256 ( 11.873 -2.581 8.893) 15.057 ======================= Grid point 691 (354/361) ======================= q-point: (-0.20 -0.40 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -17.012 -3.131 0.502) 17.305 2.747 ( -15.735 -2.577 1.104) 15.983 3.250 ( 5.604 -4.259 0.783) 7.082 3.503 ( 5.759 7.079 -8.427) 12.422 3.571 ( 7.935 -2.827 1.089) 8.493 4.160 ( 11.831 4.738 5.797) 14.001 4.378 ( 9.278 5.537 -6.453) 12.585 4.763 ( -1.105 -4.047 0.356) 4.211 5.365 ( -3.651 -1.926 -9.596) 10.446 5.593 ( -10.517 -0.037 -0.260) 10.520 5.993 ( -8.927 2.413 1.897) 9.440 6.328 ( -2.761 3.800 -5.918) 7.555 6.462 ( -2.464 -1.922 4.789) 5.718 6.819 ( 12.554 -9.547 -2.885) 16.033 7.308 ( 7.116 7.375 -4.223) 11.084 7.715 ( 8.873 -13.746 -0.496) 16.368 9.052 ( -7.303 -11.364 -1.673) 13.612 9.718 ( -9.168 7.988 -3.591) 12.679 9.816 ( -1.934 3.641 -3.931) 5.697 10.174 ( -22.165 6.438 23.843) 33.184 10.508 ( 2.741 -4.852 4.338) 7.063 11.175 ( 16.653 4.929 -7.399) 18.877 11.599 ( -10.556 7.356 3.825) 13.423 12.596 ( 6.644 -0.358 -0.666) 6.687 12.910 ( -2.628 -3.653 -6.529) 7.929 13.206 ( -0.235 -0.920 -0.722) 1.192 13.496 ( -2.925 -3.790 4.725) 6.727 14.466 ( 9.097 5.795 -9.718) 14.518 17.501 ( -1.092 0.506 17.717) 17.758 18.294 ( 6.046 -6.951 -24.811) 26.466 19.588 ( 5.582 14.923 3.099) 16.232 19.677 ( -15.415 2.464 1.695) 15.702 20.201 ( 2.522 -13.282 4.935) 14.392 22.679 ( 14.306 -7.047 -9.183) 18.403 23.799 ( -4.290 14.384 6.876) 16.511 24.529 ( 8.618 -4.630 4.902) 10.942 ======================= Grid point 692 (355/361) ======================= q-point: (-0.10 -0.40 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -15.977 -0.007 -1.055) 16.012 2.657 ( -14.659 -11.240 7.900) 20.090 3.350 ( 2.527 -0.030 -0.555) 2.587 3.445 ( 9.446 1.598 -7.204) 11.987 3.681 ( 1.917 -4.864 -0.386) 5.243 4.198 ( 2.939 16.929 -0.787) 17.201 4.486 ( 7.820 1.756 0.546) 8.033 4.776 ( 1.797 -1.571 -0.631) 2.469 5.231 ( -1.794 -5.414 -7.610) 9.510 5.482 ( -4.140 -0.554 0.620) 4.222 5.942 ( -4.322 3.614 8.827) 10.472 6.183 ( 0.179 2.082 -8.153) 8.416 6.532 ( -0.378 0.748 7.500) 7.547 7.023 ( 7.674 -8.679 -3.014) 11.970 7.261 ( 3.345 6.075 -5.528) 8.868 7.978 ( 7.273 -8.480 6.571) 12.961 9.058 ( -8.824 -6.698 3.274) 11.552 9.528 ( 1.888 -3.754 -7.699) 8.771 9.737 ( -2.988 -0.307 -1.203) 3.236 10.069 ( -15.837 13.960 16.304) 26.674 10.617 ( -2.924 -4.000 6.679) 8.316 11.165 ( 6.366 10.378 -10.811) 16.282 11.510 ( -1.882 0.032 3.716) 4.165 12.612 ( -0.702 -0.491 -2.854) 2.979 12.850 ( -0.253 -3.896 -4.469) 5.934 13.191 ( -2.876 -0.112 1.459) 3.227 13.590 ( -1.511 -8.248 5.315) 9.928 14.379 ( 7.122 6.825 -12.837) 16.190 17.733 ( 3.661 4.753 14.997) 16.153 18.174 ( 6.062 -8.535 -16.266) 19.344 19.500 ( -1.423 12.211 1.228) 12.354 19.562 ( -1.160 0.909 -0.607) 1.594 20.378 ( 0.168 -9.350 2.422) 9.660 22.843 ( 12.645 -7.407 -6.687) 16.108 23.636 ( -7.502 16.777 4.317) 18.878 24.681 ( 1.093 -5.608 0.145) 5.715 ======================= Grid point 700 (356/361) ======================= q-point: (-0.30 -0.30 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -17.838 -0.000 4.508) 18.399 2.734 ( -19.998 -0.000 -0.132) 19.999 3.209 ( 7.458 0.000 -0.997) 7.524 3.546 ( 8.312 0.000 0.307) 8.318 3.577 ( 7.260 0.000 -10.881) 13.080 4.183 ( 15.119 0.000 4.745) 15.846 4.461 ( 7.434 0.000 -2.918) 7.986 4.713 ( 0.112 0.000 -1.197) 1.203 5.347 ( -4.426 -0.000 -10.089) 11.017 5.588 ( -9.579 -0.000 -1.191) 9.653 6.012 ( -8.883 -0.000 1.447) 9.000 6.372 ( -1.727 -0.000 -9.835) 9.986 6.451 ( -3.316 -0.000 10.455) 10.968 6.722 ( 12.111 0.000 -2.333) 12.334 7.438 ( 8.126 0.000 -11.994) 14.488 7.522 ( 11.585 0.000 6.419) 13.244 8.940 ( -8.596 -0.000 -2.628) 8.989 9.786 ( -13.107 -0.000 3.918) 13.680 9.864 ( 0.197 0.000 -12.728) 12.729 10.244 ( -28.070 -0.000 34.492) 44.471 10.446 ( 9.449 0.000 -4.563) 10.493 11.230 ( 16.008 0.000 -2.295) 16.172 11.678 ( -13.205 -0.000 3.204) 13.588 12.588 ( 6.957 0.000 -0.499) 6.975 12.868 ( -3.063 -0.000 -8.350) 8.894 13.197 ( 0.838 0.000 0.043) 0.839 13.460 ( -4.252 -0.000 3.117) 5.272 14.519 ( 9.488 0.000 -10.867) 14.426 17.506 ( -0.003 -0.000 18.817) 18.817 18.228 ( 6.794 0.000 -26.675) 27.527 19.672 ( -9.550 -0.000 0.236) 9.553 19.891 ( 2.977 0.000 2.201) 3.702 19.942 ( -0.994 -0.000 7.804) 7.867 22.614 ( 14.710 0.000 -9.413) 17.464 23.954 ( -3.308 -0.000 8.609) 9.223 24.466 ( 8.429 0.000 2.478) 8.786 ======================= Grid point 701 (357/361) ======================= q-point: (-0.20 -0.30 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -21.855 1.752 0.874) 21.943 2.468 ( -17.284 -7.915 8.594) 20.862 3.320 ( 6.859 -1.442 0.212) 7.012 3.481 ( 7.670 1.024 -14.790) 16.692 3.647 ( 2.919 -0.012 -0.460) 2.955 4.454 ( 5.396 8.308 6.141) 11.656 4.526 ( 12.194 4.061 -2.318) 13.060 4.713 ( 3.606 -5.401 -3.730) 7.489 5.145 ( -3.710 -2.700 -10.506) 11.464 5.464 ( -5.164 -0.974 -1.381) 5.434 5.985 ( -4.832 0.933 9.987) 11.133 6.231 ( 0.687 2.016 -8.895) 9.146 6.567 ( 1.783 2.361 10.749) 11.149 6.875 ( 9.182 -5.794 -2.878) 11.232 7.361 ( 3.036 3.767 -8.858) 10.094 7.850 ( 13.844 -4.473 10.764) 18.098 8.871 ( -5.641 -7.829 2.402) 9.944 9.593 ( -10.587 5.075 -2.845) 12.081 9.719 ( -1.579 -1.467 -8.522) 8.790 10.268 ( -21.110 7.661 28.968) 36.653 10.520 ( 4.978 -5.476 -3.301) 8.103 11.381 ( 5.540 10.200 -2.395) 11.852 11.506 ( -7.779 -1.523 1.976) 8.170 12.605 ( -0.780 0.296 -3.513) 3.611 12.753 ( -2.022 -5.043 -4.835) 7.273 13.198 ( -1.551 0.570 0.742) 1.811 13.467 ( -2.764 -4.060 3.511) 6.037 14.464 ( 8.150 2.357 -15.857) 17.984 17.821 ( 7.523 4.254 19.092) 20.956 18.029 ( 7.239 -6.088 -20.187) 22.293 19.552 ( -3.888 -0.086 0.178) 3.893 19.792 ( -1.123 15.907 -1.156) 15.989 20.153 ( 0.505 -13.935 4.223) 14.570 22.736 ( 15.723 -3.291 -7.911) 17.906 23.932 ( -6.693 12.046 6.951) 15.434 24.547 ( 0.014 -6.917 -3.985) 7.983 ======================= Grid point 702 (358/361) ======================= q-point: (-0.10 -0.30 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -12.375 -4.455 8.435) 15.625 2.498 ( -11.389 -10.048 14.105) 20.727 3.375 ( 6.192 1.189 -6.518) 9.069 3.488 ( 10.730 -4.103 -7.068) 13.488 3.623 ( -4.080 -0.578 -1.986) 4.575 4.311 ( -3.212 15.237 -4.881) 16.319 4.476 ( -11.002 6.121 -1.533) 12.683 4.819 ( 4.193 -7.140 -3.345) 8.930 5.209 ( 16.058 -2.127 0.483) 16.205 5.456 ( 3.749 -4.159 -0.249) 5.605 6.062 ( -1.874 3.517 10.846) 11.555 6.163 ( 4.950 2.278 -3.716) 6.595 6.696 ( 4.370 5.856 7.267) 10.306 7.000 ( 3.531 -7.250 -1.323) 8.172 7.231 ( -4.326 3.818 -4.473) 7.300 8.197 ( 10.713 1.646 11.510) 15.810 8.974 ( -2.173 -9.882 8.505) 13.218 9.408 ( -2.406 -2.020 -5.962) 6.739 9.645 ( -0.345 -5.249 -4.930) 7.210 10.201 ( -11.274 15.573 13.473) 23.477 10.598 ( -5.804 -5.523 7.498) 10.973 11.113 ( -11.799 7.435 -5.462) 14.978 11.572 ( 5.376 2.178 -0.783) 5.853 12.510 ( -5.236 -0.937 -3.937) 6.617 12.793 ( 2.057 -6.407 1.765) 6.956 13.160 ( -4.957 -0.073 1.233) 5.108 13.533 ( -2.885 -8.176 3.601) 9.388 14.328 ( 7.627 3.490 -18.729) 20.522 17.810 ( 6.257 1.399 -16.020) 17.255 18.299 ( 13.382 -0.605 16.952) 21.606 19.551 ( -6.692 13.967 -5.772) 16.528 19.596 ( 9.967 -1.601 -1.733) 10.243 20.282 ( -4.385 -10.638 3.154) 11.930 22.914 ( 15.192 -4.521 -5.252) 16.698 23.712 ( -11.285 19.579 2.296) 22.715 24.500 ( -9.020 -11.856 -6.921) 16.426 ======================= Grid point 711 (359/361) ======================= q-point: (-0.20 -0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -15.437 -0.000 8.065) 17.416 2.394 ( -10.996 -0.000 15.357) 18.888 3.412 ( 9.683 0.000 -15.183) 18.008 3.416 ( 7.494 0.000 -0.847) 7.541 3.627 ( -3.374 -0.000 -2.006) 3.926 4.473 ( -13.596 -0.000 1.676) 13.699 4.619 ( -1.384 -0.000 -13.154) 13.227 4.644 ( 3.366 0.000 -0.411) 3.391 5.196 ( 23.016 0.000 0.888) 23.033 5.412 ( 0.886 0.000 -0.916) 1.274 6.088 ( -3.540 -0.000 13.749) 14.197 6.195 ( 6.552 0.000 -6.263) 9.064 6.783 ( 6.633 0.000 9.957) 11.965 6.896 ( 3.626 0.000 -3.364) 4.946 7.267 ( -4.943 -0.000 -4.744) 6.851 8.221 ( 16.147 0.000 13.852) 21.275 8.838 ( -2.185 -0.000 8.103) 8.393 9.439 ( -11.307 -0.000 -0.537) 11.320 9.578 ( 2.766 0.000 -12.054) 12.367 10.409 ( -22.694 -0.000 34.788) 41.536 10.480 ( 8.606 0.000 -12.549) 15.216 11.196 ( -21.592 -0.000 -2.115) 21.696 11.603 ( 8.510 0.000 -1.675) 8.673 12.512 ( -4.494 -0.000 -4.774) 6.557 12.706 ( 0.721 0.000 3.816) 3.884 13.163 ( -4.681 -0.000 -0.474) 4.705 13.450 ( -2.378 -0.000 3.103) 3.909 14.361 ( 8.370 0.000 -20.226) 21.889 17.824 ( 7.485 0.000 -19.222) 20.628 18.290 ( 14.469 0.000 20.190) 24.839 19.580 ( 9.417 0.000 -1.790) 9.586 19.734 ( -7.492 -0.000 -10.573) 12.958 20.136 ( -4.056 -0.000 8.155) 9.108 22.866 ( 16.869 0.000 -6.266) 17.995 23.975 ( -9.080 -0.000 6.546) 11.194 24.317 ( -11.602 -0.000 -11.942) 16.650 ======================= Grid point 712 (360/361) ======================= q-point: (-0.10 -0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -2.078 -3.270 15.242) 15.727 2.521 ( -5.290 -5.140 19.237) 20.602 3.361 ( 6.179 0.151 -11.854) 13.369 3.512 ( 2.287 -1.683 -2.840) 4.016 3.523 ( 0.865 -0.732 -4.584) 4.722 4.236 ( -12.975 5.927 -3.257) 14.632 4.367 ( -4.415 8.429 -7.910) 12.374 4.704 ( -1.844 -9.371 -1.435) 9.658 5.445 ( 5.147 1.956 2.923) 6.234 5.606 ( 24.116 -2.999 1.735) 24.364 6.200 ( -3.039 1.225 12.200) 12.632 6.256 ( 11.301 1.902 -3.433) 11.963 6.841 ( 0.781 5.456 -2.223) 5.944 6.970 ( 4.101 -5.001 -5.164) 8.276 7.198 ( -6.136 2.330 13.802) 15.283 8.552 ( 10.622 8.732 11.548) 17.956 9.025 ( 1.249 -9.664 14.416) 17.401 9.293 ( -4.861 0.066 -1.955) 5.239 9.526 ( 4.249 -7.357 -8.681) 12.147 10.337 ( -0.041 14.359 -3.644) 14.814 10.566 ( -15.785 -4.927 21.644) 27.238 10.874 ( -18.030 -1.528 -0.403) 18.099 11.580 ( -0.679 2.227 -9.709) 9.984 12.402 ( -4.127 1.227 -1.601) 4.594 12.840 ( 2.662 -4.952 8.065) 9.831 13.056 ( -6.297 -1.345 -3.736) 7.445 13.477 ( -2.643 -4.147 3.450) 6.007 14.220 ( 8.822 1.655 -19.985) 21.908 17.729 ( 8.282 0.633 -13.508) 15.858 18.727 ( 17.439 0.858 13.136) 21.850 19.389 ( -11.578 7.395 -14.745) 20.153 19.754 ( 16.671 -1.686 -3.921) 17.209 20.210 ( -4.620 -4.947 11.196) 13.083 23.044 ( 15.820 -2.475 -4.833) 16.725 23.706 ( -17.228 21.753 -3.902) 28.022 24.077 ( -16.088 -17.897 -6.569) 24.946 ======================= Grid point 722 (361/361) ======================= q-point: (-0.10 -0.10 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 2.183 0.000 15.021) 15.179 2.716 ( -0.796 -0.000 21.640) 21.655 3.248 ( -4.105 -0.000 -7.838) 8.847 3.434 ( 2.940 0.000 -8.272) 8.779 3.559 ( 7.718 0.000 -5.969) 9.757 4.028 ( -11.130 -0.000 -5.905) 12.600 4.276 ( -1.169 -0.000 -5.934) 6.048 4.598 ( -4.859 -0.000 -0.995) 4.960 5.578 ( 4.399 0.000 7.837) 8.987 5.931 ( 19.042 0.000 -0.377) 19.045 6.295 ( -4.920 -0.000 11.723) 12.714 6.408 ( 14.847 0.000 -4.618) 15.549 6.806 ( -4.296 -0.000 -1.304) 4.490 6.902 ( 2.731 0.000 -6.581) 7.125 7.426 ( 1.886 0.000 21.316) 21.400 8.866 ( 8.187 0.000 5.397) 9.806 9.188 ( -2.535 -0.000 19.106) 19.273 9.242 ( -2.917 -0.000 4.865) 5.672 9.433 ( 6.506 0.000 -11.372) 13.102 10.303 ( 5.878 0.000 -17.988) 18.924 10.529 ( -25.690 -0.000 15.807) 30.164 10.749 ( -8.095 -0.000 19.944) 21.525 11.365 ( -5.819 -0.000 -15.923) 16.953 12.312 ( -8.672 -0.000 -4.152) 9.615 12.923 ( 1.378 0.000 -6.928) 7.063 12.952 ( -0.123 -0.000 9.318) 9.318 13.479 ( -1.955 -0.000 5.371) 5.716 14.119 ( 8.354 0.000 -17.163) 19.088 17.724 ( 9.759 0.000 -8.214) 12.756 18.980 ( -9.115 -0.000 -14.403) 17.045 19.150 ( 13.759 0.000 1.965) 13.899 19.835 ( 0.296 0.000 -2.054) 2.075 20.439 ( 15.756 0.000 15.776) 22.296 23.170 ( 10.854 0.000 -9.610) 14.497 23.354 ( -25.592 -0.000 -11.176) 27.926 23.774 ( -12.610 -0.000 2.900) 12.939 =================== 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 3/46800 10.0 3530.038 5560.084 3964.201 0.000 -24.129 0.000 3/46800 20.0 763.672 885.587 837.788 0.000 -6.477 0.000 3/46800 30.0 245.348 243.906 263.111 0.000 -3.654 0.000 3/46800 40.0 114.997 106.680 121.967 0.000 -2.029 0.000 3/46800 50.0 67.561 60.348 71.313 0.000 -1.365 0.000 3/46800 60.0 45.612 39.783 48.035 0.000 -1.069 0.000 3/46800 70.0 33.681 28.902 35.431 0.000 -0.916 0.000 3/46800 80.0 26.425 22.417 27.784 0.000 -0.823 0.000 3/46800 90.0 21.641 18.210 22.750 0.000 -0.757 0.000 3/46800 100.0 18.291 15.303 19.228 0.000 -0.706 0.000 3/46800 110.0 15.835 13.195 16.646 0.000 -0.663 0.000 3/46800 120.0 13.967 11.605 14.683 0.000 -0.626 0.000 3/46800 130.0 12.504 10.367 13.145 0.000 -0.591 0.000 3/46800 140.0 11.330 9.379 11.909 0.000 -0.560 0.000 3/46800 150.0 10.368 8.571 10.896 0.000 -0.531 0.000 3/46800 160.0 9.566 7.899 10.051 0.000 -0.504 0.000 3/46800 170.0 8.887 7.332 9.335 0.000 -0.478 0.000 3/46800 180.0 8.306 6.845 8.721 0.000 -0.455 0.000 3/46800 190.0 7.802 6.423 8.188 0.000 -0.433 0.000 3/46800 200.0 7.361 6.054 7.721 0.000 -0.412 0.000 3/46800 210.0 6.971 5.728 7.308 0.000 -0.393 0.000 3/46800 220.0 6.624 5.437 6.940 0.000 -0.375 0.000 3/46800 230.0 6.314 5.176 6.610 0.000 -0.359 0.000 3/46800 240.0 6.033 4.941 6.311 0.000 -0.343 0.000 3/46800 250.0 5.778 4.727 6.040 0.000 -0.329 0.000 3/46800 260.0 5.546 4.532 5.793 0.000 -0.315 0.000 3/46800 270.0 5.334 4.354 5.567 0.000 -0.302 0.000 3/46800 280.0 5.138 4.189 5.358 0.000 -0.291 0.000 3/46800 290.0 4.957 4.038 5.166 0.000 -0.280 0.000 3/46800 300.0 4.789 3.897 4.987 0.000 -0.269 0.000 3/46800 310.0 4.633 3.766 4.821 0.000 -0.260 0.000 3/46800 320.0 4.487 3.645 4.666 0.000 -0.251 0.000 3/46800 330.0 4.351 3.531 4.521 0.000 -0.242 0.000 3/46800 340.0 4.223 3.424 4.385 0.000 -0.234 0.000 3/46800 350.0 4.103 3.324 4.258 0.000 -0.226 0.000 3/46800 360.0 3.990 3.229 4.137 0.000 -0.219 0.000 3/46800 370.0 3.883 3.140 4.024 0.000 -0.213 0.000 3/46800 380.0 3.782 3.056 3.917 0.000 -0.206 0.000 3/46800 390.0 3.686 2.977 3.815 0.000 -0.200 0.000 3/46800 400.0 3.595 2.901 3.719 0.000 -0.195 0.000 3/46800 410.0 3.509 2.830 3.628 0.000 -0.189 0.000 3/46800 420.0 3.427 2.762 3.541 0.000 -0.184 0.000 3/46800 430.0 3.348 2.697 3.458 0.000 -0.179 0.000 3/46800 440.0 3.274 2.635 3.379 0.000 -0.175 0.000 3/46800 450.0 3.202 2.576 3.304 0.000 -0.170 0.000 3/46800 460.0 3.134 2.520 3.232 0.000 -0.166 0.000 3/46800 470.0 3.068 2.466 3.163 0.000 -0.162 0.000 3/46800 480.0 3.006 2.414 3.097 0.000 -0.158 0.000 3/46800 490.0 2.946 2.365 3.034 0.000 -0.155 0.000 3/46800 500.0 2.888 2.317 2.973 0.000 -0.151 0.000 3/46800 510.0 2.832 2.272 2.915 0.000 -0.148 0.000 3/46800 520.0 2.779 2.228 2.859 0.000 -0.145 0.000 3/46800 530.0 2.727 2.186 2.805 0.000 -0.142 0.000 3/46800 540.0 2.678 2.145 2.753 0.000 -0.139 0.000 3/46800 550.0 2.630 2.106 2.703 0.000 -0.136 0.000 3/46800 560.0 2.584 2.068 2.655 0.000 -0.133 0.000 3/46800 570.0 2.539 2.032 2.609 0.000 -0.131 0.000 3/46800 580.0 2.496 1.997 2.564 0.000 -0.128 0.000 3/46800 590.0 2.455 1.963 2.520 0.000 -0.126 0.000 3/46800 600.0 2.415 1.931 2.478 0.000 -0.124 0.000 3/46800 610.0 2.376 1.899 2.438 0.000 -0.121 0.000 3/46800 620.0 2.338 1.868 2.399 0.000 -0.119 0.000 3/46800 630.0 2.302 1.839 2.361 0.000 -0.117 0.000 3/46800 640.0 2.266 1.810 2.324 0.000 -0.115 0.000 3/46800 650.0 2.232 1.782 2.288 0.000 -0.113 0.000 3/46800 660.0 2.199 1.755 2.254 0.000 -0.111 0.000 3/46800 670.0 2.167 1.729 2.220 0.000 -0.110 0.000 3/46800 680.0 2.135 1.704 2.188 0.000 -0.108 0.000 3/46800 690.0 2.105 1.679 2.156 0.000 -0.106 0.000 3/46800 700.0 2.075 1.655 2.125 0.000 -0.105 0.000 3/46800 710.0 2.046 1.632 2.095 0.000 -0.103 0.000 3/46800 720.0 2.018 1.609 2.066 0.000 -0.101 0.000 3/46800 730.0 1.991 1.587 2.038 0.000 -0.100 0.000 3/46800 740.0 1.965 1.566 2.011 0.000 -0.098 0.000 3/46800 750.0 1.939 1.545 1.984 0.000 -0.097 0.000 3/46800 760.0 1.914 1.525 1.958 0.000 -0.096 0.000 3/46800 770.0 1.889 1.505 1.933 0.000 -0.094 0.000 3/46800 780.0 1.865 1.486 1.908 0.000 -0.093 0.000 3/46800 790.0 1.842 1.467 1.884 0.000 -0.092 0.000 3/46800 800.0 1.819 1.448 1.860 0.000 -0.091 0.000 3/46800 810.0 1.797 1.431 1.838 0.000 -0.089 0.000 3/46800 820.0 1.775 1.413 1.815 0.000 -0.088 0.000 3/46800 830.0 1.754 1.396 1.793 0.000 -0.087 0.000 3/46800 840.0 1.734 1.380 1.772 0.000 -0.086 0.000 3/46800 850.0 1.714 1.363 1.751 0.000 -0.085 0.000 3/46800 860.0 1.694 1.348 1.731 0.000 -0.084 0.000 3/46800 870.0 1.675 1.332 1.711 0.000 -0.083 0.000 3/46800 880.0 1.656 1.317 1.692 0.000 -0.082 0.000 3/46800 890.0 1.637 1.302 1.673 0.000 -0.081 0.000 3/46800 900.0 1.619 1.288 1.654 0.000 -0.080 0.000 3/46800 910.0 1.602 1.274 1.636 0.000 -0.079 0.000 3/46800 920.0 1.585 1.260 1.618 0.000 -0.078 0.000 3/46800 930.0 1.568 1.246 1.601 0.000 -0.077 0.000 3/46800 940.0 1.551 1.233 1.584 0.000 -0.076 0.000 3/46800 950.0 1.535 1.220 1.567 0.000 -0.076 0.000 3/46800 960.0 1.519 1.207 1.551 0.000 -0.075 0.000 3/46800 970.0 1.504 1.195 1.535 0.000 -0.074 0.000 3/46800 980.0 1.489 1.183 1.520 0.000 -0.073 0.000 3/46800 990.0 1.474 1.171 1.504 0.000 -0.072 0.000 3/46800 1000.0 1.459 1.159 1.489 0.000 -0.072 0.000 3/46800 Thermal conductivity related properties were written into "kappa-m101013.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:14:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|