----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:38:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.875310250000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.309165620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.254549099999998 Atomic positions (fractional): *1 Mn 0.63494170179455 0.25000000000000 0.13463796054134 54.938 2 Mn 0.86505829820545 0.75000000000000 0.63463796054134 54.938 3 Mn 0.13494170179455 0.25000000000000 0.36536203945866 54.938 4 Mn 0.36505829820545 0.75000000000000 0.86536203945866 54.938 *5 Se 0.63607813153941 0.75000000000000 0.56640702343549 78.960 6 Se 0.36392186846059 0.25000000000000 0.43359297656451 78.960 7 Se 0.13607813153941 0.75000000000000 0.93359297656451 78.960 8 Se 0.86392186846059 0.25000000000000 0.06640702343549 78.960 *9 Se 0.53894899253064 0.75000000000000 0.11086655870565 78.960 10 Se 0.96105100746936 0.25000000000000 0.61086655870564 78.960 11 Se 0.03894899253064 0.75000000000000 0.38913344129436 78.960 12 Se 0.46105100746936 0.25000000000000 0.88913344129436 78.960 *13 Se 0.67419159125883 0.25000000000000 0.26949060832300 78.960 14 Se 0.32580840874117 0.75000000000000 0.73050939167700 78.960 15 Se 0.17419159125882 0.25000000000000 0.23050939167700 78.960 16 Se 0.82580840874117 0.75000000000000 0.76949060832300 78.960 *17 Ba 0.73595006837779 0.75000000000000 0.95053746415517 137.327 18 Ba 0.26404993162221 0.25000000000000 0.04946253584483 137.327 19 Ba 0.23595006837779 0.75000000000000 0.54946253584483 137.327 20 Ba 0.76404993162221 0.25000000000000 0.45053746415517 137.327 *21 Ba 0.91121642822863 0.75000000000000 0.20756519591109 137.327 22 Ba 0.08878357177137 0.25000000000000 0.79243480408891 137.327 23 Ba 0.41121642822863 0.75000000000000 0.29243480408891 137.327 24 Ba 0.58878357177137 0.25000000000000 0.70756519591109 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.875310250000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.309165620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.254549099999998 Atomic positions (fractional): *1 Mn 0.63494170179455 0.25000000000000 0.13463796054134 54.938 > 1 2 Mn 0.86505829820545 0.75000000000000 0.63463796054134 54.938 > 2 3 Mn 0.13494170179455 0.25000000000000 0.36536203945866 54.938 > 3 4 Mn 0.36505829820545 0.75000000000000 0.86536203945866 54.938 > 4 *5 Se 0.63607813153941 0.75000000000000 0.56640702343549 78.960 > 5 6 Se 0.36392186846059 0.25000000000000 0.43359297656451 78.960 > 6 7 Se 0.13607813153941 0.75000000000000 0.93359297656451 78.960 > 7 8 Se 0.86392186846059 0.25000000000000 0.06640702343549 78.960 > 8 *9 Se 0.53894899253064 0.75000000000000 0.11086655870565 78.960 > 9 10 Se 0.96105100746936 0.25000000000000 0.61086655870564 78.960 > 10 11 Se 0.03894899253064 0.75000000000000 0.38913344129436 78.960 > 11 12 Se 0.46105100746936 0.25000000000000 0.88913344129436 78.960 > 12 *13 Se 0.67419159125883 0.25000000000000 0.26949060832300 78.960 > 13 14 Se 0.32580840874117 0.75000000000000 0.73050939167700 78.960 > 14 15 Se 0.17419159125882 0.25000000000000 0.23050939167700 78.960 > 15 16 Se 0.82580840874117 0.75000000000000 0.76949060832300 78.960 > 16 *17 Ba 0.73595006837779 0.75000000000000 0.95053746415517 137.327 > 17 18 Ba 0.26404993162221 0.25000000000000 0.04946253584483 137.327 > 18 19 Ba 0.23595006837779 0.75000000000000 0.54946253584483 137.327 > 19 20 Ba 0.76404993162221 0.25000000000000 0.45053746415517 137.327 > 20 *21 Ba 0.91121642822863 0.75000000000000 0.20756519591109 137.327 > 21 22 Ba 0.08878357177137 0.25000000000000 0.79243480408891 137.327 > 22 23 Ba 0.41121642822863 0.75000000000000 0.29243480408891 137.327 > 23 24 Ba 0.58878357177137 0.25000000000000 0.70756519591109 137.327 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.750620500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.927496860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.254549099999998 Atomic positions (fractional): *1 Mn 0.31747085089727 0.08333333333333 0.13463796054134 54.938 > 1 2 Mn 0.81747085089727 0.08333333333333 0.13463796054134 54.938 > 1 3 Mn 0.31747085089727 0.41666666666667 0.13463796054134 54.938 > 1 4 Mn 0.81747085089727 0.41666666666667 0.13463796054134 54.938 > 1 5 Mn 0.31747085089727 0.75000000000000 0.13463796054134 54.938 > 1 6 Mn 0.81747085089727 0.75000000000000 0.13463796054134 54.938 > 1 7 Mn 0.43252914910273 0.25000000000000 0.63463796054134 54.938 > 2 8 Mn 0.93252914910273 0.25000000000000 0.63463796054134 54.938 > 2 9 Mn 0.43252914910273 0.58333333333333 0.63463796054134 54.938 > 2 10 Mn 0.93252914910273 0.58333333333333 0.63463796054134 54.938 > 2 11 Mn 0.43252914910273 0.91666666666667 0.63463796054134 54.938 > 2 12 Mn 0.93252914910273 0.91666666666667 0.63463796054134 54.938 > 2 13 Mn 0.06747085089727 0.08333333333333 0.36536203945866 54.938 > 3 14 Mn 0.56747085089727 0.08333333333333 0.36536203945866 54.938 > 3 15 Mn 0.06747085089727 0.41666666666667 0.36536203945866 54.938 > 3 16 Mn 0.56747085089727 0.41666666666667 0.36536203945866 54.938 > 3 17 Mn 0.06747085089727 0.75000000000000 0.36536203945866 54.938 > 3 18 Mn 0.56747085089727 0.75000000000000 0.36536203945866 54.938 > 3 19 Mn 0.18252914910273 0.25000000000000 0.86536203945866 54.938 > 4 20 Mn 0.68252914910273 0.25000000000000 0.86536203945866 54.938 > 4 21 Mn 0.18252914910273 0.58333333333333 0.86536203945866 54.938 > 4 22 Mn 0.68252914910273 0.58333333333333 0.86536203945866 54.938 > 4 23 Mn 0.18252914910273 0.91666666666667 0.86536203945866 54.938 > 4 24 Mn 0.68252914910273 0.91666666666667 0.86536203945866 54.938 > 4 *25 Se 0.31803906576970 0.25000000000000 0.56640702343549 78.960 > 5 26 Se 0.81803906576970 0.25000000000000 0.56640702343549 78.960 > 5 27 Se 0.31803906576970 0.58333333333333 0.56640702343549 78.960 > 5 28 Se 0.81803906576970 0.58333333333333 0.56640702343549 78.960 > 5 29 Se 0.31803906576970 0.91666666666667 0.56640702343549 78.960 > 5 30 Se 0.81803906576970 0.91666666666667 0.56640702343549 78.960 > 5 31 Se 0.18196093423030 0.08333333333333 0.43359297656451 78.960 > 6 32 Se 0.68196093423030 0.08333333333333 0.43359297656451 78.960 > 6 33 Se 0.18196093423030 0.41666666666667 0.43359297656451 78.960 > 6 34 Se 0.68196093423030 0.41666666666667 0.43359297656451 78.960 > 6 35 Se 0.18196093423030 0.75000000000000 0.43359297656451 78.960 > 6 36 Se 0.68196093423030 0.75000000000000 0.43359297656451 78.960 > 6 37 Se 0.06803906576970 0.25000000000000 0.93359297656451 78.960 > 7 38 Se 0.56803906576970 0.25000000000000 0.93359297656451 78.960 > 7 39 Se 0.06803906576970 0.58333333333333 0.93359297656451 78.960 > 7 40 Se 0.56803906576970 0.58333333333333 0.93359297656451 78.960 > 7 41 Se 0.06803906576970 0.91666666666667 0.93359297656451 78.960 > 7 42 Se 0.56803906576970 0.91666666666667 0.93359297656451 78.960 > 7 43 Se 0.43196093423030 0.08333333333333 0.06640702343549 78.960 > 8 44 Se 0.93196093423030 0.08333333333333 0.06640702343549 78.960 > 8 45 Se 0.43196093423030 0.41666666666667 0.06640702343549 78.960 > 8 46 Se 0.93196093423030 0.41666666666667 0.06640702343549 78.960 > 8 47 Se 0.43196093423030 0.75000000000000 0.06640702343549 78.960 > 8 48 Se 0.93196093423030 0.75000000000000 0.06640702343549 78.960 > 8 *49 Se 0.26947449626532 0.25000000000000 0.11086655870565 78.960 > 9 50 Se 0.76947449626532 0.25000000000000 0.11086655870565 78.960 > 9 51 Se 0.26947449626532 0.58333333333333 0.11086655870565 78.960 > 9 52 Se 0.76947449626532 0.58333333333333 0.11086655870565 78.960 > 9 53 Se 0.26947449626532 0.91666666666667 0.11086655870565 78.960 > 9 54 Se 0.76947449626532 0.91666666666667 0.11086655870565 78.960 > 9 55 Se 0.48052550373468 0.08333333333333 0.61086655870564 78.960 > 10 56 Se 0.98052550373468 0.08333333333333 0.61086655870564 78.960 > 10 57 Se 0.48052550373468 0.41666666666667 0.61086655870564 78.960 > 10 58 Se 0.98052550373468 0.41666666666667 0.61086655870564 78.960 > 10 59 Se 0.48052550373468 0.75000000000000 0.61086655870564 78.960 > 10 60 Se 0.98052550373468 0.75000000000000 0.61086655870564 78.960 > 10 61 Se 0.01947449626532 0.25000000000000 0.38913344129436 78.960 > 11 62 Se 0.51947449626532 0.25000000000000 0.38913344129436 78.960 > 11 63 Se 0.01947449626532 0.58333333333333 0.38913344129436 78.960 > 11 64 Se 0.51947449626532 0.58333333333333 0.38913344129436 78.960 > 11 65 Se 0.01947449626532 0.91666666666667 0.38913344129436 78.960 > 11 66 Se 0.51947449626532 0.91666666666667 0.38913344129436 78.960 > 11 67 Se 0.23052550373468 0.08333333333333 0.88913344129436 78.960 > 12 68 Se 0.73052550373468 0.08333333333333 0.88913344129436 78.960 > 12 69 Se 0.23052550373468 0.41666666666667 0.88913344129436 78.960 > 12 70 Se 0.73052550373468 0.41666666666667 0.88913344129436 78.960 > 12 71 Se 0.23052550373468 0.75000000000000 0.88913344129436 78.960 > 12 72 Se 0.73052550373468 0.75000000000000 0.88913344129436 78.960 > 12 *73 Se 0.33709579562941 0.08333333333333 0.26949060832300 78.960 > 13 74 Se 0.83709579562941 0.08333333333333 0.26949060832300 78.960 > 13 75 Se 0.33709579562941 0.41666666666667 0.26949060832300 78.960 > 13 76 Se 0.83709579562941 0.41666666666667 0.26949060832300 78.960 > 13 77 Se 0.33709579562941 0.75000000000000 0.26949060832300 78.960 > 13 78 Se 0.83709579562941 0.75000000000000 0.26949060832300 78.960 > 13 79 Se 0.16290420437059 0.25000000000000 0.73050939167700 78.960 > 14 80 Se 0.66290420437059 0.25000000000000 0.73050939167700 78.960 > 14 81 Se 0.16290420437059 0.58333333333333 0.73050939167700 78.960 > 14 82 Se 0.66290420437059 0.58333333333333 0.73050939167700 78.960 > 14 83 Se 0.16290420437059 0.91666666666667 0.73050939167700 78.960 > 14 84 Se 0.66290420437059 0.91666666666667 0.73050939167700 78.960 > 14 85 Se 0.08709579562941 0.08333333333333 0.23050939167700 78.960 > 15 86 Se 0.58709579562941 0.08333333333333 0.23050939167700 78.960 > 15 87 Se 0.08709579562941 0.41666666666667 0.23050939167700 78.960 > 15 88 Se 0.58709579562941 0.41666666666667 0.23050939167700 78.960 > 15 89 Se 0.08709579562941 0.75000000000000 0.23050939167700 78.960 > 15 90 Se 0.58709579562941 0.75000000000000 0.23050939167700 78.960 > 15 91 Se 0.41290420437059 0.25000000000000 0.76949060832300 78.960 > 16 92 Se 0.91290420437059 0.25000000000000 0.76949060832300 78.960 > 16 93 Se 0.41290420437059 0.58333333333333 0.76949060832300 78.960 > 16 94 Se 0.91290420437059 0.58333333333333 0.76949060832300 78.960 > 16 95 Se 0.41290420437059 0.91666666666667 0.76949060832300 78.960 > 16 96 Se 0.91290420437059 0.91666666666667 0.76949060832300 78.960 > 16 *97 Ba 0.36797503418890 0.25000000000000 0.95053746415517 137.327 > 17 98 Ba 0.86797503418890 0.25000000000000 0.95053746415517 137.327 > 17 99 Ba 0.36797503418890 0.58333333333333 0.95053746415517 137.327 > 17 100 Ba 0.86797503418890 0.58333333333333 0.95053746415517 137.327 > 17 101 Ba 0.36797503418890 0.91666666666667 0.95053746415517 137.327 > 17 102 Ba 0.86797503418890 0.91666666666667 0.95053746415517 137.327 > 17 103 Ba 0.13202496581110 0.08333333333333 0.04946253584483 137.327 > 18 104 Ba 0.63202496581110 0.08333333333333 0.04946253584483 137.327 > 18 105 Ba 0.13202496581110 0.41666666666667 0.04946253584483 137.327 > 18 106 Ba 0.63202496581110 0.41666666666667 0.04946253584483 137.327 > 18 107 Ba 0.13202496581110 0.75000000000000 0.04946253584483 137.327 > 18 108 Ba 0.63202496581110 0.75000000000000 0.04946253584483 137.327 > 18 109 Ba 0.11797503418890 0.25000000000000 0.54946253584483 137.327 > 19 110 Ba 0.61797503418890 0.25000000000000 0.54946253584483 137.327 > 19 111 Ba 0.11797503418890 0.58333333333333 0.54946253584483 137.327 > 19 112 Ba 0.61797503418890 0.58333333333333 0.54946253584483 137.327 > 19 113 Ba 0.11797503418890 0.91666666666667 0.54946253584483 137.327 > 19 114 Ba 0.61797503418890 0.91666666666667 0.54946253584483 137.327 > 19 115 Ba 0.38202496581110 0.08333333333333 0.45053746415517 137.327 > 20 116 Ba 0.88202496581110 0.08333333333333 0.45053746415517 137.327 > 20 117 Ba 0.38202496581110 0.41666666666667 0.45053746415517 137.327 > 20 118 Ba 0.88202496581110 0.41666666666667 0.45053746415517 137.327 > 20 119 Ba 0.38202496581110 0.75000000000000 0.45053746415517 137.327 > 20 120 Ba 0.88202496581110 0.75000000000000 0.45053746415517 137.327 > 20 *121 Ba 0.45560821411431 0.25000000000000 0.20756519591109 137.327 > 21 122 Ba 0.95560821411431 0.25000000000000 0.20756519591109 137.327 > 21 123 Ba 0.45560821411431 0.58333333333333 0.20756519591109 137.327 > 21 124 Ba 0.95560821411431 0.58333333333333 0.20756519591109 137.327 > 21 125 Ba 0.45560821411431 0.91666666666667 0.20756519591109 137.327 > 21 126 Ba 0.95560821411431 0.91666666666667 0.20756519591109 137.327 > 21 127 Ba 0.04439178588569 0.08333333333333 0.79243480408891 137.327 > 22 128 Ba 0.54439178588569 0.08333333333333 0.79243480408891 137.327 > 22 129 Ba 0.04439178588569 0.41666666666667 0.79243480408891 137.327 > 22 130 Ba 0.54439178588569 0.41666666666667 0.79243480408891 137.327 > 22 131 Ba 0.04439178588569 0.75000000000000 0.79243480408891 137.327 > 22 132 Ba 0.54439178588569 0.75000000000000 0.79243480408891 137.327 > 22 133 Ba 0.20560821411431 0.25000000000000 0.29243480408891 137.327 > 23 134 Ba 0.70560821411431 0.25000000000000 0.29243480408891 137.327 > 23 135 Ba 0.20560821411431 0.58333333333333 0.29243480408891 137.327 > 23 136 Ba 0.70560821411431 0.58333333333333 0.29243480408891 137.327 > 23 137 Ba 0.20560821411431 0.91666666666667 0.29243480408891 137.327 > 23 138 Ba 0.70560821411431 0.91666666666667 0.29243480408891 137.327 > 23 139 Ba 0.29439178588569 0.08333333333333 0.70756519591109 137.327 > 24 140 Ba 0.79439178588569 0.08333333333333 0.70756519591109 137.327 > 24 141 Ba 0.29439178588569 0.41666666666667 0.70756519591109 137.327 > 24 142 Ba 0.79439178588569 0.41666666666667 0.70756519591109 137.327 > 24 143 Ba 0.29439178588569 0.75000000000000 0.70756519591109 137.327 > 24 144 Ba 0.79439178588569 0.75000000000000 0.70756519591109 137.327 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 92.8038203 0.0000000 0.0000000 0.0000000 117.1268840 0.0000000 0.0000000 0.0000000 35.5318883 -------------------------- Born effective charges -------------------------- 1 Mn -4.5432609 0.0000000 0.9877299 0.0000000 -7.5240717 0.0000000 0.3452563 0.0000000 -0.1344827 2 Mn -4.5432609 0.0000000 -0.9877299 0.0000000 -7.5240717 0.0000000 -0.3452563 0.0000000 -0.1344827 3 Mn -4.5432609 0.0000000 -0.9877299 0.0000000 -7.5240717 0.0000000 -0.3452563 0.0000000 -0.1344827 4 Mn -4.5432609 0.0000000 0.9877299 0.0000000 -7.5240717 0.0000000 0.3452563 0.0000000 -0.1344827 5 Se -1.0506994 0.0000000 3.6463243 0.0000000 -1.0081528 0.0000000 0.3752241 0.0000000 -2.2324922 6 Se -1.0506994 0.0000000 3.6463243 0.0000000 -1.0081528 0.0000000 0.3752241 0.0000000 -2.2324922 7 Se -1.0506994 0.0000000 -3.6463243 0.0000000 -1.0081528 0.0000000 -0.3752241 0.0000000 -2.2324922 8 Se -1.0506994 0.0000000 -3.6463243 0.0000000 -1.0081528 0.0000000 -0.3752241 0.0000000 -2.2324922 9 Se 1.1132669 0.0000000 -1.7235568 0.0000000 4.5504643 0.0000000 -0.2608488 0.0000000 -1.4323748 10 Se 1.1132669 0.0000000 1.7235568 0.0000000 4.5504643 0.0000000 0.2608488 0.0000000 -1.4323748 11 Se 1.1132669 0.0000000 1.7235568 0.0000000 4.5504643 0.0000000 0.2608488 0.0000000 -1.4323748 12 Se 1.1132669 0.0000000 -1.7235568 0.0000000 4.5504643 0.0000000 -0.2608488 0.0000000 -1.4323748 13 Se -0.3073249 0.0000000 0.4909257 0.0000000 0.1789326 0.0000000 -0.1534408 0.0000000 -1.9913366 14 Se -0.3073249 0.0000000 0.4909257 0.0000000 0.1789326 0.0000000 -0.1534408 0.0000000 -1.9913366 15 Se -0.3073249 0.0000000 -0.4909257 0.0000000 0.1789326 0.0000000 0.1534408 0.0000000 -1.9913366 16 Se -0.3073249 0.0000000 -0.4909257 0.0000000 0.1789326 0.0000000 0.1534408 0.0000000 -1.9913366 17 Ba 2.8236881 0.0000000 4.5125915 0.0000000 1.2891910 0.0000000 0.1913425 0.0000000 4.0938147 18 Ba 2.8236881 0.0000000 4.5125915 0.0000000 1.2891910 0.0000000 0.1913425 0.0000000 4.0938147 19 Ba 2.8236881 0.0000000 -4.5125915 0.0000000 1.2891910 0.0000000 -0.1913425 0.0000000 4.0938147 20 Ba 2.8236881 0.0000000 -4.5125915 0.0000000 1.2891910 0.0000000 -0.1913425 0.0000000 4.0938147 21 Ba 1.9643302 0.0000000 1.3030216 0.0000000 2.5136367 0.0000000 1.3455480 0.0000000 1.6968716 22 Ba 1.9643302 0.0000000 1.3030216 0.0000000 2.5136367 0.0000000 1.3455480 0.0000000 1.6968716 23 Ba 1.9643302 0.0000000 -1.3030216 0.0000000 2.5136367 0.0000000 -1.3455480 0.0000000 1.6968716 24 Ba 1.9643302 0.0000000 -1.3030216 0.0000000 2.5136367 0.0000000 -1.3455480 0.0000000 1.6968716 ---------------------------------------------------------------------------- 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: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 400 - Time: 1.920 Solver_block: 200 / 400 - Time: 1.804 Solver_block: 300 / 400 - Time: 0.930 Solver_block: 400 / 400 - Time: 1.411 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.506 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 04:38:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:38:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.875310250000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.309165620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.254549099999998 Atomic positions (fractional): 1 Mn 0.63494170179455 0.25000000000000 0.13463796054134 54.938 2 Mn 0.86505829820545 0.75000000000000 0.63463796054134 54.938 3 Mn 0.13494170179455 0.25000000000000 0.36536203945866 54.938 4 Mn 0.36505829820545 0.75000000000000 0.86536203945866 54.938 5 Se 0.63607813153941 0.75000000000000 0.56640702343549 78.960 6 Se 0.36392186846059 0.25000000000000 0.43359297656451 78.960 7 Se 0.13607813153941 0.75000000000000 0.93359297656451 78.960 8 Se 0.86392186846059 0.25000000000000 0.06640702343549 78.960 9 Se 0.53894899253064 0.75000000000000 0.11086655870565 78.960 10 Se 0.96105100746936 0.25000000000000 0.61086655870564 78.960 11 Se 0.03894899253064 0.75000000000000 0.38913344129436 78.960 12 Se 0.46105100746936 0.25000000000000 0.88913344129436 78.960 13 Se 0.67419159125883 0.25000000000000 0.26949060832300 78.960 14 Se 0.32580840874117 0.75000000000000 0.73050939167700 78.960 15 Se 0.17419159125882 0.25000000000000 0.23050939167700 78.960 16 Se 0.82580840874117 0.75000000000000 0.76949060832300 78.960 17 Ba 0.73595006837779 0.75000000000000 0.95053746415517 137.327 18 Ba 0.26404993162221 0.25000000000000 0.04946253584483 137.327 19 Ba 0.23595006837779 0.75000000000000 0.54946253584483 137.327 20 Ba 0.76404993162221 0.25000000000000 0.45053746415517 137.327 21 Ba 0.91121642822863 0.75000000000000 0.20756519591109 137.327 22 Ba 0.08878357177137 0.25000000000000 0.79243480408891 137.327 23 Ba 0.41121642822863 0.75000000000000 0.29243480408891 137.327 24 Ba 0.58878357177137 0.25000000000000 0.70756519591109 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.750620500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.927496860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.254549099999998 Atomic positions (fractional): 1 Mn 0.31747085089727 0.08333333333333 0.13463796054134 54.938 > 1 2 Mn 0.81747085089727 0.08333333333333 0.13463796054134 54.938 > 1 3 Mn 0.31747085089727 0.41666666666667 0.13463796054134 54.938 > 1 4 Mn 0.81747085089727 0.41666666666667 0.13463796054134 54.938 > 1 5 Mn 0.31747085089727 0.75000000000000 0.13463796054134 54.938 > 1 6 Mn 0.81747085089727 0.75000000000000 0.13463796054134 54.938 > 1 7 Mn 0.43252914910273 0.25000000000000 0.63463796054134 54.938 > 7 8 Mn 0.93252914910273 0.25000000000000 0.63463796054134 54.938 > 7 9 Mn 0.43252914910273 0.58333333333333 0.63463796054134 54.938 > 7 10 Mn 0.93252914910273 0.58333333333333 0.63463796054134 54.938 > 7 11 Mn 0.43252914910273 0.91666666666667 0.63463796054134 54.938 > 7 12 Mn 0.93252914910273 0.91666666666667 0.63463796054134 54.938 > 7 13 Mn 0.06747085089727 0.08333333333333 0.36536203945866 54.938 > 13 14 Mn 0.56747085089727 0.08333333333333 0.36536203945866 54.938 > 13 15 Mn 0.06747085089727 0.41666666666667 0.36536203945866 54.938 > 13 16 Mn 0.56747085089727 0.41666666666667 0.36536203945866 54.938 > 13 17 Mn 0.06747085089727 0.75000000000000 0.36536203945866 54.938 > 13 18 Mn 0.56747085089727 0.75000000000000 0.36536203945866 54.938 > 13 19 Mn 0.18252914910273 0.25000000000000 0.86536203945866 54.938 > 19 20 Mn 0.68252914910273 0.25000000000000 0.86536203945866 54.938 > 19 21 Mn 0.18252914910273 0.58333333333333 0.86536203945866 54.938 > 19 22 Mn 0.68252914910273 0.58333333333333 0.86536203945866 54.938 > 19 23 Mn 0.18252914910273 0.91666666666667 0.86536203945866 54.938 > 19 24 Mn 0.68252914910273 0.91666666666667 0.86536203945866 54.938 > 19 25 Se 0.31803906576970 0.25000000000000 0.56640702343549 78.960 > 25 26 Se 0.81803906576970 0.25000000000000 0.56640702343549 78.960 > 25 27 Se 0.31803906576970 0.58333333333333 0.56640702343549 78.960 > 25 28 Se 0.81803906576970 0.58333333333333 0.56640702343549 78.960 > 25 29 Se 0.31803906576970 0.91666666666667 0.56640702343549 78.960 > 25 30 Se 0.81803906576970 0.91666666666667 0.56640702343549 78.960 > 25 31 Se 0.18196093423030 0.08333333333333 0.43359297656451 78.960 > 31 32 Se 0.68196093423030 0.08333333333333 0.43359297656451 78.960 > 31 33 Se 0.18196093423030 0.41666666666667 0.43359297656451 78.960 > 31 34 Se 0.68196093423030 0.41666666666667 0.43359297656451 78.960 > 31 35 Se 0.18196093423030 0.75000000000000 0.43359297656451 78.960 > 31 36 Se 0.68196093423030 0.75000000000000 0.43359297656451 78.960 > 31 37 Se 0.06803906576970 0.25000000000000 0.93359297656451 78.960 > 37 38 Se 0.56803906576970 0.25000000000000 0.93359297656451 78.960 > 37 39 Se 0.06803906576970 0.58333333333333 0.93359297656451 78.960 > 37 40 Se 0.56803906576970 0.58333333333333 0.93359297656451 78.960 > 37 41 Se 0.06803906576970 0.91666666666667 0.93359297656451 78.960 > 37 42 Se 0.56803906576970 0.91666666666667 0.93359297656451 78.960 > 37 43 Se 0.43196093423030 0.08333333333333 0.06640702343549 78.960 > 43 44 Se 0.93196093423030 0.08333333333333 0.06640702343549 78.960 > 43 45 Se 0.43196093423030 0.41666666666667 0.06640702343549 78.960 > 43 46 Se 0.93196093423030 0.41666666666667 0.06640702343549 78.960 > 43 47 Se 0.43196093423030 0.75000000000000 0.06640702343549 78.960 > 43 48 Se 0.93196093423030 0.75000000000000 0.06640702343549 78.960 > 43 49 Se 0.26947449626532 0.25000000000000 0.11086655870565 78.960 > 49 50 Se 0.76947449626532 0.25000000000000 0.11086655870565 78.960 > 49 51 Se 0.26947449626532 0.58333333333333 0.11086655870565 78.960 > 49 52 Se 0.76947449626532 0.58333333333333 0.11086655870565 78.960 > 49 53 Se 0.26947449626532 0.91666666666667 0.11086655870565 78.960 > 49 54 Se 0.76947449626532 0.91666666666667 0.11086655870565 78.960 > 49 55 Se 0.48052550373468 0.08333333333333 0.61086655870564 78.960 > 55 56 Se 0.98052550373468 0.08333333333333 0.61086655870564 78.960 > 55 57 Se 0.48052550373468 0.41666666666667 0.61086655870564 78.960 > 55 58 Se 0.98052550373468 0.41666666666667 0.61086655870564 78.960 > 55 59 Se 0.48052550373468 0.75000000000000 0.61086655870564 78.960 > 55 60 Se 0.98052550373468 0.75000000000000 0.61086655870564 78.960 > 55 61 Se 0.01947449626532 0.25000000000000 0.38913344129436 78.960 > 61 62 Se 0.51947449626532 0.25000000000000 0.38913344129436 78.960 > 61 63 Se 0.01947449626532 0.58333333333333 0.38913344129436 78.960 > 61 64 Se 0.51947449626532 0.58333333333333 0.38913344129436 78.960 > 61 65 Se 0.01947449626532 0.91666666666667 0.38913344129436 78.960 > 61 66 Se 0.51947449626532 0.91666666666667 0.38913344129436 78.960 > 61 67 Se 0.23052550373468 0.08333333333333 0.88913344129436 78.960 > 67 68 Se 0.73052550373468 0.08333333333333 0.88913344129436 78.960 > 67 69 Se 0.23052550373468 0.41666666666667 0.88913344129436 78.960 > 67 70 Se 0.73052550373468 0.41666666666667 0.88913344129436 78.960 > 67 71 Se 0.23052550373468 0.75000000000000 0.88913344129436 78.960 > 67 72 Se 0.73052550373468 0.75000000000000 0.88913344129436 78.960 > 67 73 Se 0.33709579562941 0.08333333333333 0.26949060832300 78.960 > 73 74 Se 0.83709579562941 0.08333333333333 0.26949060832300 78.960 > 73 75 Se 0.33709579562941 0.41666666666667 0.26949060832300 78.960 > 73 76 Se 0.83709579562941 0.41666666666667 0.26949060832300 78.960 > 73 77 Se 0.33709579562941 0.75000000000000 0.26949060832300 78.960 > 73 78 Se 0.83709579562941 0.75000000000000 0.26949060832300 78.960 > 73 79 Se 0.16290420437059 0.25000000000000 0.73050939167700 78.960 > 79 80 Se 0.66290420437059 0.25000000000000 0.73050939167700 78.960 > 79 81 Se 0.16290420437059 0.58333333333333 0.73050939167700 78.960 > 79 82 Se 0.66290420437059 0.58333333333333 0.73050939167700 78.960 > 79 83 Se 0.16290420437059 0.91666666666667 0.73050939167700 78.960 > 79 84 Se 0.66290420437059 0.91666666666667 0.73050939167700 78.960 > 79 85 Se 0.08709579562941 0.08333333333333 0.23050939167700 78.960 > 85 86 Se 0.58709579562941 0.08333333333333 0.23050939167700 78.960 > 85 87 Se 0.08709579562941 0.41666666666667 0.23050939167700 78.960 > 85 88 Se 0.58709579562941 0.41666666666667 0.23050939167700 78.960 > 85 89 Se 0.08709579562941 0.75000000000000 0.23050939167700 78.960 > 85 90 Se 0.58709579562941 0.75000000000000 0.23050939167700 78.960 > 85 91 Se 0.41290420437059 0.25000000000000 0.76949060832300 78.960 > 91 92 Se 0.91290420437059 0.25000000000000 0.76949060832300 78.960 > 91 93 Se 0.41290420437059 0.58333333333333 0.76949060832300 78.960 > 91 94 Se 0.91290420437059 0.58333333333333 0.76949060832300 78.960 > 91 95 Se 0.41290420437059 0.91666666666667 0.76949060832300 78.960 > 91 96 Se 0.91290420437059 0.91666666666667 0.76949060832300 78.960 > 91 97 Ba 0.36797503418890 0.25000000000000 0.95053746415517 137.327 > 97 98 Ba 0.86797503418890 0.25000000000000 0.95053746415517 137.327 > 97 99 Ba 0.36797503418890 0.58333333333333 0.95053746415517 137.327 > 97 100 Ba 0.86797503418890 0.58333333333333 0.95053746415517 137.327 > 97 101 Ba 0.36797503418890 0.91666666666667 0.95053746415517 137.327 > 97 102 Ba 0.86797503418890 0.91666666666667 0.95053746415517 137.327 > 97 103 Ba 0.13202496581110 0.08333333333333 0.04946253584483 137.327 > 103 104 Ba 0.63202496581110 0.08333333333333 0.04946253584483 137.327 > 103 105 Ba 0.13202496581110 0.41666666666667 0.04946253584483 137.327 > 103 106 Ba 0.63202496581110 0.41666666666667 0.04946253584483 137.327 > 103 107 Ba 0.13202496581110 0.75000000000000 0.04946253584483 137.327 > 103 108 Ba 0.63202496581110 0.75000000000000 0.04946253584483 137.327 > 103 109 Ba 0.11797503418890 0.25000000000000 0.54946253584483 137.327 > 109 110 Ba 0.61797503418890 0.25000000000000 0.54946253584483 137.327 > 109 111 Ba 0.11797503418890 0.58333333333333 0.54946253584483 137.327 > 109 112 Ba 0.61797503418890 0.58333333333333 0.54946253584483 137.327 > 109 113 Ba 0.11797503418890 0.91666666666667 0.54946253584483 137.327 > 109 114 Ba 0.61797503418890 0.91666666666667 0.54946253584483 137.327 > 109 115 Ba 0.38202496581110 0.08333333333333 0.45053746415517 137.327 > 115 116 Ba 0.88202496581110 0.08333333333333 0.45053746415517 137.327 > 115 117 Ba 0.38202496581110 0.41666666666667 0.45053746415517 137.327 > 115 118 Ba 0.88202496581110 0.41666666666667 0.45053746415517 137.327 > 115 119 Ba 0.38202496581110 0.75000000000000 0.45053746415517 137.327 > 115 120 Ba 0.88202496581110 0.75000000000000 0.45053746415517 137.327 > 115 121 Ba 0.45560821411431 0.25000000000000 0.20756519591109 137.327 > 121 122 Ba 0.95560821411431 0.25000000000000 0.20756519591109 137.327 > 121 123 Ba 0.45560821411431 0.58333333333333 0.20756519591109 137.327 > 121 124 Ba 0.95560821411431 0.58333333333333 0.20756519591109 137.327 > 121 125 Ba 0.45560821411431 0.91666666666667 0.20756519591109 137.327 > 121 126 Ba 0.95560821411431 0.91666666666667 0.20756519591109 137.327 > 121 127 Ba 0.04439178588569 0.08333333333333 0.79243480408891 137.327 > 127 128 Ba 0.54439178588569 0.08333333333333 0.79243480408891 137.327 > 127 129 Ba 0.04439178588569 0.41666666666667 0.79243480408891 137.327 > 127 130 Ba 0.54439178588569 0.41666666666667 0.79243480408891 137.327 > 127 131 Ba 0.04439178588569 0.75000000000000 0.79243480408891 137.327 > 127 132 Ba 0.54439178588569 0.75000000000000 0.79243480408891 137.327 > 127 133 Ba 0.20560821411431 0.25000000000000 0.29243480408891 137.327 > 133 134 Ba 0.70560821411431 0.25000000000000 0.29243480408891 137.327 > 133 135 Ba 0.20560821411431 0.58333333333333 0.29243480408891 137.327 > 133 136 Ba 0.70560821411431 0.58333333333333 0.29243480408891 137.327 > 133 137 Ba 0.20560821411431 0.91666666666667 0.29243480408891 137.327 > 133 138 Ba 0.70560821411431 0.91666666666667 0.29243480408891 137.327 > 133 139 Ba 0.29439178588569 0.08333333333333 0.70756519591109 137.327 > 139 140 Ba 0.79439178588569 0.08333333333333 0.70756519591109 137.327 > 139 141 Ba 0.29439178588569 0.41666666666667 0.70756519591109 137.327 > 139 142 Ba 0.79439178588569 0.41666666666667 0.70756519591109 137.327 > 139 143 Ba 0.29439178588569 0.75000000000000 0.70756519591109 137.327 > 139 144 Ba 0.79439178588569 0.75000000000000 0.70756519591109 137.327 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 92.8038203 0.0000000 0.0000000 0.0000000 117.1268840 0.0000000 0.0000000 0.0000000 35.5318883 -------------------------- Born effective charges -------------------------- 1 Mn -4.5432609 0.0000000 0.9877299 0.0000000 -7.5240717 0.0000000 0.3452563 0.0000000 -0.1344827 2 Mn -4.5432609 0.0000000 -0.9877299 0.0000000 -7.5240717 0.0000000 -0.3452563 0.0000000 -0.1344827 3 Mn -4.5432609 0.0000000 -0.9877299 0.0000000 -7.5240717 0.0000000 -0.3452563 0.0000000 -0.1344827 4 Mn -4.5432609 0.0000000 0.9877299 0.0000000 -7.5240717 0.0000000 0.3452563 0.0000000 -0.1344827 5 Se -1.0506994 0.0000000 3.6463243 0.0000000 -1.0081528 0.0000000 0.3752241 0.0000000 -2.2324922 6 Se -1.0506994 0.0000000 3.6463243 0.0000000 -1.0081528 0.0000000 0.3752241 0.0000000 -2.2324922 7 Se -1.0506994 0.0000000 -3.6463243 0.0000000 -1.0081528 0.0000000 -0.3752241 0.0000000 -2.2324922 8 Se -1.0506994 0.0000000 -3.6463243 0.0000000 -1.0081528 0.0000000 -0.3752241 0.0000000 -2.2324922 9 Se 1.1132669 0.0000000 -1.7235568 0.0000000 4.5504643 0.0000000 -0.2608488 0.0000000 -1.4323748 10 Se 1.1132669 0.0000000 1.7235568 0.0000000 4.5504643 0.0000000 0.2608488 0.0000000 -1.4323748 11 Se 1.1132669 0.0000000 1.7235568 0.0000000 4.5504643 0.0000000 0.2608488 0.0000000 -1.4323748 12 Se 1.1132669 0.0000000 -1.7235568 0.0000000 4.5504643 0.0000000 -0.2608488 0.0000000 -1.4323748 13 Se -0.3073249 0.0000000 0.4909257 0.0000000 0.1789326 0.0000000 -0.1534408 0.0000000 -1.9913366 14 Se -0.3073249 0.0000000 0.4909257 0.0000000 0.1789326 0.0000000 -0.1534408 0.0000000 -1.9913366 15 Se -0.3073249 0.0000000 -0.4909257 0.0000000 0.1789326 0.0000000 0.1534408 0.0000000 -1.9913366 16 Se -0.3073249 0.0000000 -0.4909257 0.0000000 0.1789326 0.0000000 0.1534408 0.0000000 -1.9913366 17 Ba 2.8236881 0.0000000 4.5125915 0.0000000 1.2891910 0.0000000 0.1913425 0.0000000 4.0938147 18 Ba 2.8236881 0.0000000 4.5125915 0.0000000 1.2891910 0.0000000 0.1913425 0.0000000 4.0938147 19 Ba 2.8236881 0.0000000 -4.5125915 0.0000000 1.2891910 0.0000000 -0.1913425 0.0000000 4.0938147 20 Ba 2.8236881 0.0000000 -4.5125915 0.0000000 1.2891910 0.0000000 -0.1913425 0.0000000 4.0938147 21 Ba 1.9643302 0.0000000 1.3030216 0.0000000 2.5136367 0.0000000 1.3455480 0.0000000 1.6968716 22 Ba 1.9643302 0.0000000 1.3030216 0.0000000 2.5136367 0.0000000 1.3455480 0.0000000 1.6968716 23 Ba 1.9643302 0.0000000 -1.3030216 0.0000000 2.5136367 0.0000000 -1.3455480 0.0000000 1.6968716 24 Ba 1.9643302 0.0000000 -1.3030216 0.0000000 2.5136367 0.0000000 -1.3455480 0.0000000 1.6968716 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yxy) -0.00000000 (yxy) -0.00000000 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:39:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:39:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.875310250000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.309165620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.254549099999998 Atomic positions (fractional): 1 Mn 0.63494170179455 0.25000000000000 0.13463796054134 54.938 2 Mn 0.86505829820545 0.75000000000000 0.63463796054134 54.938 3 Mn 0.13494170179455 0.25000000000000 0.36536203945866 54.938 4 Mn 0.36505829820545 0.75000000000000 0.86536203945866 54.938 5 Se 0.63607813153941 0.75000000000000 0.56640702343549 78.960 6 Se 0.36392186846059 0.25000000000000 0.43359297656451 78.960 7 Se 0.13607813153941 0.75000000000000 0.93359297656451 78.960 8 Se 0.86392186846059 0.25000000000000 0.06640702343549 78.960 9 Se 0.53894899253064 0.75000000000000 0.11086655870565 78.960 10 Se 0.96105100746936 0.25000000000000 0.61086655870564 78.960 11 Se 0.03894899253064 0.75000000000000 0.38913344129436 78.960 12 Se 0.46105100746936 0.25000000000000 0.88913344129436 78.960 13 Se 0.67419159125883 0.25000000000000 0.26949060832300 78.960 14 Se 0.32580840874117 0.75000000000000 0.73050939167700 78.960 15 Se 0.17419159125882 0.25000000000000 0.23050939167700 78.960 16 Se 0.82580840874117 0.75000000000000 0.76949060832300 78.960 17 Ba 0.73595006837779 0.75000000000000 0.95053746415517 137.327 18 Ba 0.26404993162221 0.25000000000000 0.04946253584483 137.327 19 Ba 0.23595006837779 0.75000000000000 0.54946253584483 137.327 20 Ba 0.76404993162221 0.25000000000000 0.45053746415517 137.327 21 Ba 0.91121642822863 0.75000000000000 0.20756519591109 137.327 22 Ba 0.08878357177137 0.25000000000000 0.79243480408891 137.327 23 Ba 0.41121642822863 0.75000000000000 0.29243480408891 137.327 24 Ba 0.58878357177137 0.25000000000000 0.70756519591109 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.750620500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.927496860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.254549099999998 Atomic positions (fractional): 1 Mn 0.31747085089727 0.08333333333333 0.13463796054134 54.938 > 1 2 Mn 0.81747085089727 0.08333333333333 0.13463796054134 54.938 > 1 3 Mn 0.31747085089727 0.41666666666667 0.13463796054134 54.938 > 1 4 Mn 0.81747085089727 0.41666666666667 0.13463796054134 54.938 > 1 5 Mn 0.31747085089727 0.75000000000000 0.13463796054134 54.938 > 1 6 Mn 0.81747085089727 0.75000000000000 0.13463796054134 54.938 > 1 7 Mn 0.43252914910273 0.25000000000000 0.63463796054134 54.938 > 7 8 Mn 0.93252914910273 0.25000000000000 0.63463796054134 54.938 > 7 9 Mn 0.43252914910273 0.58333333333333 0.63463796054134 54.938 > 7 10 Mn 0.93252914910273 0.58333333333333 0.63463796054134 54.938 > 7 11 Mn 0.43252914910273 0.91666666666667 0.63463796054134 54.938 > 7 12 Mn 0.93252914910273 0.91666666666667 0.63463796054134 54.938 > 7 13 Mn 0.06747085089727 0.08333333333333 0.36536203945866 54.938 > 13 14 Mn 0.56747085089727 0.08333333333333 0.36536203945866 54.938 > 13 15 Mn 0.06747085089727 0.41666666666667 0.36536203945866 54.938 > 13 16 Mn 0.56747085089727 0.41666666666667 0.36536203945866 54.938 > 13 17 Mn 0.06747085089727 0.75000000000000 0.36536203945866 54.938 > 13 18 Mn 0.56747085089727 0.75000000000000 0.36536203945866 54.938 > 13 19 Mn 0.18252914910273 0.25000000000000 0.86536203945866 54.938 > 19 20 Mn 0.68252914910273 0.25000000000000 0.86536203945866 54.938 > 19 21 Mn 0.18252914910273 0.58333333333333 0.86536203945866 54.938 > 19 22 Mn 0.68252914910273 0.58333333333333 0.86536203945866 54.938 > 19 23 Mn 0.18252914910273 0.91666666666667 0.86536203945866 54.938 > 19 24 Mn 0.68252914910273 0.91666666666667 0.86536203945866 54.938 > 19 25 Se 0.31803906576970 0.25000000000000 0.56640702343549 78.960 > 25 26 Se 0.81803906576970 0.25000000000000 0.56640702343549 78.960 > 25 27 Se 0.31803906576970 0.58333333333333 0.56640702343549 78.960 > 25 28 Se 0.81803906576970 0.58333333333333 0.56640702343549 78.960 > 25 29 Se 0.31803906576970 0.91666666666667 0.56640702343549 78.960 > 25 30 Se 0.81803906576970 0.91666666666667 0.56640702343549 78.960 > 25 31 Se 0.18196093423030 0.08333333333333 0.43359297656451 78.960 > 31 32 Se 0.68196093423030 0.08333333333333 0.43359297656451 78.960 > 31 33 Se 0.18196093423030 0.41666666666667 0.43359297656451 78.960 > 31 34 Se 0.68196093423030 0.41666666666667 0.43359297656451 78.960 > 31 35 Se 0.18196093423030 0.75000000000000 0.43359297656451 78.960 > 31 36 Se 0.68196093423030 0.75000000000000 0.43359297656451 78.960 > 31 37 Se 0.06803906576970 0.25000000000000 0.93359297656451 78.960 > 37 38 Se 0.56803906576970 0.25000000000000 0.93359297656451 78.960 > 37 39 Se 0.06803906576970 0.58333333333333 0.93359297656451 78.960 > 37 40 Se 0.56803906576970 0.58333333333333 0.93359297656451 78.960 > 37 41 Se 0.06803906576970 0.91666666666667 0.93359297656451 78.960 > 37 42 Se 0.56803906576970 0.91666666666667 0.93359297656451 78.960 > 37 43 Se 0.43196093423030 0.08333333333333 0.06640702343549 78.960 > 43 44 Se 0.93196093423030 0.08333333333333 0.06640702343549 78.960 > 43 45 Se 0.43196093423030 0.41666666666667 0.06640702343549 78.960 > 43 46 Se 0.93196093423030 0.41666666666667 0.06640702343549 78.960 > 43 47 Se 0.43196093423030 0.75000000000000 0.06640702343549 78.960 > 43 48 Se 0.93196093423030 0.75000000000000 0.06640702343549 78.960 > 43 49 Se 0.26947449626532 0.25000000000000 0.11086655870565 78.960 > 49 50 Se 0.76947449626532 0.25000000000000 0.11086655870565 78.960 > 49 51 Se 0.26947449626532 0.58333333333333 0.11086655870565 78.960 > 49 52 Se 0.76947449626532 0.58333333333333 0.11086655870565 78.960 > 49 53 Se 0.26947449626532 0.91666666666667 0.11086655870565 78.960 > 49 54 Se 0.76947449626532 0.91666666666667 0.11086655870565 78.960 > 49 55 Se 0.48052550373468 0.08333333333333 0.61086655870564 78.960 > 55 56 Se 0.98052550373468 0.08333333333333 0.61086655870564 78.960 > 55 57 Se 0.48052550373468 0.41666666666667 0.61086655870564 78.960 > 55 58 Se 0.98052550373468 0.41666666666667 0.61086655870564 78.960 > 55 59 Se 0.48052550373468 0.75000000000000 0.61086655870564 78.960 > 55 60 Se 0.98052550373468 0.75000000000000 0.61086655870564 78.960 > 55 61 Se 0.01947449626532 0.25000000000000 0.38913344129436 78.960 > 61 62 Se 0.51947449626532 0.25000000000000 0.38913344129436 78.960 > 61 63 Se 0.01947449626532 0.58333333333333 0.38913344129436 78.960 > 61 64 Se 0.51947449626532 0.58333333333333 0.38913344129436 78.960 > 61 65 Se 0.01947449626532 0.91666666666667 0.38913344129436 78.960 > 61 66 Se 0.51947449626532 0.91666666666667 0.38913344129436 78.960 > 61 67 Se 0.23052550373468 0.08333333333333 0.88913344129436 78.960 > 67 68 Se 0.73052550373468 0.08333333333333 0.88913344129436 78.960 > 67 69 Se 0.23052550373468 0.41666666666667 0.88913344129436 78.960 > 67 70 Se 0.73052550373468 0.41666666666667 0.88913344129436 78.960 > 67 71 Se 0.23052550373468 0.75000000000000 0.88913344129436 78.960 > 67 72 Se 0.73052550373468 0.75000000000000 0.88913344129436 78.960 > 67 73 Se 0.33709579562941 0.08333333333333 0.26949060832300 78.960 > 73 74 Se 0.83709579562941 0.08333333333333 0.26949060832300 78.960 > 73 75 Se 0.33709579562941 0.41666666666667 0.26949060832300 78.960 > 73 76 Se 0.83709579562941 0.41666666666667 0.26949060832300 78.960 > 73 77 Se 0.33709579562941 0.75000000000000 0.26949060832300 78.960 > 73 78 Se 0.83709579562941 0.75000000000000 0.26949060832300 78.960 > 73 79 Se 0.16290420437059 0.25000000000000 0.73050939167700 78.960 > 79 80 Se 0.66290420437059 0.25000000000000 0.73050939167700 78.960 > 79 81 Se 0.16290420437059 0.58333333333333 0.73050939167700 78.960 > 79 82 Se 0.66290420437059 0.58333333333333 0.73050939167700 78.960 > 79 83 Se 0.16290420437059 0.91666666666667 0.73050939167700 78.960 > 79 84 Se 0.66290420437059 0.91666666666667 0.73050939167700 78.960 > 79 85 Se 0.08709579562941 0.08333333333333 0.23050939167700 78.960 > 85 86 Se 0.58709579562941 0.08333333333333 0.23050939167700 78.960 > 85 87 Se 0.08709579562941 0.41666666666667 0.23050939167700 78.960 > 85 88 Se 0.58709579562941 0.41666666666667 0.23050939167700 78.960 > 85 89 Se 0.08709579562941 0.75000000000000 0.23050939167700 78.960 > 85 90 Se 0.58709579562941 0.75000000000000 0.23050939167700 78.960 > 85 91 Se 0.41290420437059 0.25000000000000 0.76949060832300 78.960 > 91 92 Se 0.91290420437059 0.25000000000000 0.76949060832300 78.960 > 91 93 Se 0.41290420437059 0.58333333333333 0.76949060832300 78.960 > 91 94 Se 0.91290420437059 0.58333333333333 0.76949060832300 78.960 > 91 95 Se 0.41290420437059 0.91666666666667 0.76949060832300 78.960 > 91 96 Se 0.91290420437059 0.91666666666667 0.76949060832300 78.960 > 91 97 Ba 0.36797503418890 0.25000000000000 0.95053746415517 137.327 > 97 98 Ba 0.86797503418890 0.25000000000000 0.95053746415517 137.327 > 97 99 Ba 0.36797503418890 0.58333333333333 0.95053746415517 137.327 > 97 100 Ba 0.86797503418890 0.58333333333333 0.95053746415517 137.327 > 97 101 Ba 0.36797503418890 0.91666666666667 0.95053746415517 137.327 > 97 102 Ba 0.86797503418890 0.91666666666667 0.95053746415517 137.327 > 97 103 Ba 0.13202496581110 0.08333333333333 0.04946253584483 137.327 > 103 104 Ba 0.63202496581110 0.08333333333333 0.04946253584483 137.327 > 103 105 Ba 0.13202496581110 0.41666666666667 0.04946253584483 137.327 > 103 106 Ba 0.63202496581110 0.41666666666667 0.04946253584483 137.327 > 103 107 Ba 0.13202496581110 0.75000000000000 0.04946253584483 137.327 > 103 108 Ba 0.63202496581110 0.75000000000000 0.04946253584483 137.327 > 103 109 Ba 0.11797503418890 0.25000000000000 0.54946253584483 137.327 > 109 110 Ba 0.61797503418890 0.25000000000000 0.54946253584483 137.327 > 109 111 Ba 0.11797503418890 0.58333333333333 0.54946253584483 137.327 > 109 112 Ba 0.61797503418890 0.58333333333333 0.54946253584483 137.327 > 109 113 Ba 0.11797503418890 0.91666666666667 0.54946253584483 137.327 > 109 114 Ba 0.61797503418890 0.91666666666667 0.54946253584483 137.327 > 109 115 Ba 0.38202496581110 0.08333333333333 0.45053746415517 137.327 > 115 116 Ba 0.88202496581110 0.08333333333333 0.45053746415517 137.327 > 115 117 Ba 0.38202496581110 0.41666666666667 0.45053746415517 137.327 > 115 118 Ba 0.88202496581110 0.41666666666667 0.45053746415517 137.327 > 115 119 Ba 0.38202496581110 0.75000000000000 0.45053746415517 137.327 > 115 120 Ba 0.88202496581110 0.75000000000000 0.45053746415517 137.327 > 115 121 Ba 0.45560821411431 0.25000000000000 0.20756519591109 137.327 > 121 122 Ba 0.95560821411431 0.25000000000000 0.20756519591109 137.327 > 121 123 Ba 0.45560821411431 0.58333333333333 0.20756519591109 137.327 > 121 124 Ba 0.95560821411431 0.58333333333333 0.20756519591109 137.327 > 121 125 Ba 0.45560821411431 0.91666666666667 0.20756519591109 137.327 > 121 126 Ba 0.95560821411431 0.91666666666667 0.20756519591109 137.327 > 121 127 Ba 0.04439178588569 0.08333333333333 0.79243480408891 137.327 > 127 128 Ba 0.54439178588569 0.08333333333333 0.79243480408891 137.327 > 127 129 Ba 0.04439178588569 0.41666666666667 0.79243480408891 137.327 > 127 130 Ba 0.54439178588569 0.41666666666667 0.79243480408891 137.327 > 127 131 Ba 0.04439178588569 0.75000000000000 0.79243480408891 137.327 > 127 132 Ba 0.54439178588569 0.75000000000000 0.79243480408891 137.327 > 127 133 Ba 0.20560821411431 0.25000000000000 0.29243480408891 137.327 > 133 134 Ba 0.70560821411431 0.25000000000000 0.29243480408891 137.327 > 133 135 Ba 0.20560821411431 0.58333333333333 0.29243480408891 137.327 > 133 136 Ba 0.70560821411431 0.58333333333333 0.29243480408891 137.327 > 133 137 Ba 0.20560821411431 0.91666666666667 0.29243480408891 137.327 > 133 138 Ba 0.70560821411431 0.91666666666667 0.29243480408891 137.327 > 133 139 Ba 0.29439178588569 0.08333333333333 0.70756519591109 137.327 > 139 140 Ba 0.79439178588569 0.08333333333333 0.70756519591109 137.327 > 139 141 Ba 0.29439178588569 0.41666666666667 0.70756519591109 137.327 > 139 142 Ba 0.79439178588569 0.41666666666667 0.70756519591109 137.327 > 139 143 Ba 0.29439178588569 0.75000000000000 0.70756519591109 137.327 > 139 144 Ba 0.79439178588569 0.75000000000000 0.70756519591109 137.327 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 92.8038203 0.0000000 0.0000000 0.0000000 117.1268840 0.0000000 0.0000000 0.0000000 35.5318883 -------------------------- Born effective charges -------------------------- 1 Mn -4.5432609 0.0000000 0.9877299 0.0000000 -7.5240717 0.0000000 0.3452563 0.0000000 -0.1344827 2 Mn -4.5432609 0.0000000 -0.9877299 0.0000000 -7.5240717 0.0000000 -0.3452563 0.0000000 -0.1344827 3 Mn -4.5432609 0.0000000 -0.9877299 0.0000000 -7.5240717 0.0000000 -0.3452563 0.0000000 -0.1344827 4 Mn -4.5432609 0.0000000 0.9877299 0.0000000 -7.5240717 0.0000000 0.3452563 0.0000000 -0.1344827 5 Se -1.0506994 0.0000000 3.6463243 0.0000000 -1.0081528 0.0000000 0.3752241 0.0000000 -2.2324922 6 Se -1.0506994 0.0000000 3.6463243 0.0000000 -1.0081528 0.0000000 0.3752241 0.0000000 -2.2324922 7 Se -1.0506994 0.0000000 -3.6463243 0.0000000 -1.0081528 0.0000000 -0.3752241 0.0000000 -2.2324922 8 Se -1.0506994 0.0000000 -3.6463243 0.0000000 -1.0081528 0.0000000 -0.3752241 0.0000000 -2.2324922 9 Se 1.1132669 0.0000000 -1.7235568 0.0000000 4.5504643 0.0000000 -0.2608488 0.0000000 -1.4323748 10 Se 1.1132669 0.0000000 1.7235568 0.0000000 4.5504643 0.0000000 0.2608488 0.0000000 -1.4323748 11 Se 1.1132669 0.0000000 1.7235568 0.0000000 4.5504643 0.0000000 0.2608488 0.0000000 -1.4323748 12 Se 1.1132669 0.0000000 -1.7235568 0.0000000 4.5504643 0.0000000 -0.2608488 0.0000000 -1.4323748 13 Se -0.3073249 0.0000000 0.4909257 0.0000000 0.1789326 0.0000000 -0.1534408 0.0000000 -1.9913366 14 Se -0.3073249 0.0000000 0.4909257 0.0000000 0.1789326 0.0000000 -0.1534408 0.0000000 -1.9913366 15 Se -0.3073249 0.0000000 -0.4909257 0.0000000 0.1789326 0.0000000 0.1534408 0.0000000 -1.9913366 16 Se -0.3073249 0.0000000 -0.4909257 0.0000000 0.1789326 0.0000000 0.1534408 0.0000000 -1.9913366 17 Ba 2.8236881 0.0000000 4.5125915 0.0000000 1.2891910 0.0000000 0.1913425 0.0000000 4.0938147 18 Ba 2.8236881 0.0000000 4.5125915 0.0000000 1.2891910 0.0000000 0.1913425 0.0000000 4.0938147 19 Ba 2.8236881 0.0000000 -4.5125915 0.0000000 1.2891910 0.0000000 -0.1913425 0.0000000 4.0938147 20 Ba 2.8236881 0.0000000 -4.5125915 0.0000000 1.2891910 0.0000000 -0.1913425 0.0000000 4.0938147 21 Ba 1.9643302 0.0000000 1.3030216 0.0000000 2.5136367 0.0000000 1.3455480 0.0000000 1.6968716 22 Ba 1.9643302 0.0000000 1.3030216 0.0000000 2.5136367 0.0000000 1.3455480 0.0000000 1.6968716 23 Ba 1.9643302 0.0000000 -1.3030216 0.0000000 2.5136367 0.0000000 -1.3455480 0.0000000 1.6968716 24 Ba 1.9643302 0.0000000 -1.3030216 0.0000000 2.5136367 0.0000000 -1.3455480 0.0000000 1.6968716 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yxy) -0.00000000 (yxy) -0.00000000 (yyx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 12 3 ] 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: 0.48, Number of G-points: 285, Lambda: 0.45 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/56) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.764 ( 0.000 0.000 0.000) 0.000 1.040 ( 0.000 0.000 0.000) 0.000 1.130 ( 0.000 0.000 0.000) 0.000 1.139 ( 0.000 0.000 0.000) 0.000 1.459 ( 0.000 0.000 0.000) 0.000 1.540 ( 0.000 0.000 0.000) 0.000 1.557 ( 0.000 0.000 0.000) 0.000 1.709 ( 0.000 0.000 0.000) 0.000 1.749 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 1.908 ( 0.000 0.000 0.000) 0.000 1.957 ( 0.000 0.000 0.000) 0.000 2.188 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.263 ( 0.000 0.000 0.000) 0.000 2.273 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.371 ( 0.000 0.000 0.000) 0.000 2.454 ( 0.000 0.000 0.000) 0.000 2.585 ( 0.000 0.000 0.000) 0.000 2.603 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.714 ( 0.000 0.000 0.000) 0.000 2.745 ( 0.000 0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 2.957 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.085 ( 0.000 0.000 0.000) 0.000 3.092 ( 0.000 0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 3.812 ( 0.000 0.000 0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 4.049 ( 0.000 0.000 0.000) 0.000 4.103 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.305 ( 0.000 0.000 0.000) 0.000 4.335 ( 0.000 0.000 0.000) 0.000 4.347 ( 0.000 0.000 0.000) 0.000 4.351 ( 0.000 0.000 0.000) 0.000 4.358 ( 0.000 0.000 0.000) 0.000 4.443 ( 0.000 0.000 0.000) 0.000 4.456 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.470 ( 0.000 0.000 0.000) 0.000 4.537 ( 0.000 0.000 0.000) 0.000 4.566 ( 0.000 0.000 0.000) 0.000 5.016 ( 0.000 0.000 0.000) 0.000 5.042 ( 0.000 0.000 0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 7.613 ( 0.000 0.000 0.000) 0.000 7.879 ( 0.000 0.000 0.000) 0.000 8.064 ( 0.000 0.000 0.000) 0.000 8.077 ( 0.000 0.000 0.000) 0.000 8.186 ( 0.000 0.000 0.000) 0.000 8.234 ( 0.000 0.000 0.000) 0.000 8.236 ( 0.000 0.000 0.000) 0.000 8.242 ( 0.000 0.000 0.000) 0.000 8.260 ( 0.000 0.000 0.000) 0.000 8.286 ( 0.000 0.000 0.000) 0.000 8.295 ( 0.000 0.000 0.000) 0.000 8.381 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/56) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( 19.824 0.000 0.000) 19.824 0.439 ( 22.400 0.000 0.000) 22.400 0.545 ( 28.177 0.000 0.000) 28.177 0.963 ( 17.821 0.000 0.000) 17.821 1.026 ( -8.320 0.000 0.000) 8.320 1.129 ( 8.566 0.000 0.000) 8.566 1.154 ( 1.295 0.000 0.000) 1.295 1.290 ( -9.519 0.000 0.000) 9.519 1.604 ( 3.957 0.000 0.000) 3.957 1.644 ( -8.296 0.000 0.000) 8.296 1.678 ( -3.332 0.000 0.000) 3.332 1.734 ( 8.437 0.000 0.000) 8.437 1.874 ( 0.716 0.000 0.000) 0.716 1.914 ( 0.302 0.000 0.000) 0.302 2.000 ( 4.274 0.000 0.000) 4.274 2.065 ( -3.590 0.000 0.000) 3.590 2.212 ( -3.341 0.000 0.000) 3.341 2.274 ( -3.143 0.000 0.000) 3.143 2.280 ( 1.200 0.000 0.000) 1.200 2.350 ( -1.739 0.000 0.000) 1.739 2.445 ( 12.335 0.000 0.000) 12.335 2.501 ( 1.292 0.000 0.000) 1.292 2.551 ( -3.842 0.000 0.000) 3.842 2.612 ( 0.928 0.000 0.000) 0.928 2.656 ( 2.804 0.000 0.000) 2.804 2.718 ( 0.368 0.000 0.000) 0.368 2.718 ( -2.388 0.000 0.000) 2.388 2.761 ( 5.220 0.000 0.000) 5.220 2.854 ( 0.383 0.000 0.000) 0.383 2.863 ( -6.246 0.000 0.000) 6.246 2.928 ( -3.970 0.000 0.000) 3.970 3.005 ( -7.198 0.000 0.000) 7.198 3.055 ( 1.037 0.000 0.000) 1.037 3.065 ( -2.357 0.000 0.000) 2.357 3.262 ( -6.512 0.000 0.000) 6.512 3.360 ( -2.211 0.000 0.000) 2.211 3.848 ( 3.572 0.000 0.000) 3.572 3.862 ( 12.117 0.000 0.000) 12.117 3.877 ( 3.931 0.000 0.000) 3.931 3.979 ( 0.001 0.000 0.000) 0.001 3.989 ( 0.307 0.000 0.000) 0.307 4.078 ( 2.822 0.000 0.000) 2.822 4.107 ( 0.505 0.000 0.000) 0.505 4.160 ( 2.211 0.000 0.000) 2.211 4.189 ( 1.679 0.000 0.000) 1.679 4.272 ( -4.623 0.000 0.000) 4.623 4.311 ( 0.361 0.000 0.000) 0.361 4.365 ( 1.481 0.000 0.000) 1.481 4.375 ( 0.244 0.000 0.000) 0.244 4.391 ( 2.591 0.000 0.000) 2.591 4.439 ( -1.816 0.000 0.000) 1.816 4.452 ( -1.831 0.000 0.000) 1.831 4.465 ( 1.165 0.000 0.000) 1.165 4.549 ( 0.538 0.000 0.000) 0.538 4.551 ( 1.033 0.000 0.000) 1.033 4.579 ( 1.322 0.000 0.000) 1.322 5.045 ( 2.988 0.000 0.000) 2.988 5.048 ( 0.761 0.000 0.000) 0.761 5.173 ( -0.428 0.000 0.000) 0.428 5.308 ( -0.887 0.000 0.000) 0.887 7.724 ( 8.013 0.000 0.000) 8.013 7.921 ( 4.232 0.000 0.000) 4.232 8.082 ( 0.508 0.000 0.000) 0.508 8.091 ( 2.675 0.000 0.000) 2.675 8.194 ( 0.811 0.000 0.000) 0.811 8.244 ( 0.943 0.000 0.000) 0.943 8.249 ( 0.649 0.000 0.000) 0.649 8.254 ( -1.078 0.000 0.000) 1.078 8.256 ( -1.526 0.000 0.000) 1.526 8.276 ( 0.229 0.000 0.000) 0.229 8.309 ( 0.689 0.000 0.000) 0.689 8.372 ( -1.194 0.000 0.000) 1.194 ======================= Grid point 2 (3/56) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 19.492 0.000 0.000) 19.492 0.822 ( 17.845 0.000 0.000) 17.845 0.897 ( -4.350 0.000 0.000) 4.350 0.916 ( 3.927 0.000 0.000) 3.927 1.167 ( -0.765 0.000 0.000) 0.765 1.265 ( 15.885 0.000 0.000) 15.885 1.281 ( 4.928 0.000 0.000) 4.928 1.310 ( 9.419 0.000 0.000) 9.419 1.474 ( -2.227 0.000 0.000) 2.227 1.585 ( -6.274 0.000 0.000) 6.274 1.633 ( -0.628 0.000 0.000) 0.628 1.856 ( 5.261 0.000 0.000) 5.261 1.871 ( -6.402 0.000 0.000) 6.402 1.917 ( 4.361 0.000 0.000) 4.361 2.103 ( 6.509 0.000 0.000) 6.509 2.109 ( 7.135 0.000 0.000) 7.135 2.185 ( -6.390 0.000 0.000) 6.390 2.215 ( 2.674 0.000 0.000) 2.674 2.255 ( -9.707 0.000 0.000) 9.707 2.323 ( 3.488 0.000 0.000) 3.488 2.432 ( -8.547 0.000 0.000) 8.547 2.477 ( -2.264 0.000 0.000) 2.264 2.606 ( 2.668 0.000 0.000) 2.668 2.638 ( 1.940 0.000 0.000) 1.940 2.653 ( -5.230 0.000 0.000) 5.230 2.730 ( 1.099 0.000 0.000) 1.099 2.755 ( -4.670 0.000 0.000) 4.670 2.756 ( 8.078 0.000 0.000) 8.078 2.837 ( -4.881 0.000 0.000) 4.881 2.859 ( 2.977 0.000 0.000) 2.977 2.885 ( 4.576 0.000 0.000) 4.576 2.894 ( -2.910 0.000 0.000) 2.910 3.005 ( -3.947 0.000 0.000) 3.947 3.085 ( 2.817 0.000 0.000) 2.817 3.113 ( -8.099 0.000 0.000) 8.099 3.299 ( -4.818 0.000 0.000) 4.818 3.921 ( 3.539 0.000 0.000) 3.539 3.944 ( 2.715 0.000 0.000) 2.715 3.980 ( 0.036 0.000 0.000) 0.036 3.990 ( -0.370 0.000 0.000) 0.370 4.113 ( 11.809 0.000 0.000) 11.809 4.121 ( 1.232 0.000 0.000) 1.232 4.146 ( 3.866 0.000 0.000) 3.866 4.198 ( -3.172 0.000 0.000) 3.172 4.223 ( 4.379 0.000 0.000) 4.379 4.240 ( 3.721 0.000 0.000) 3.721 4.321 ( 1.218 0.000 0.000) 1.218 4.382 ( 0.624 0.000 0.000) 0.624 4.382 ( 0.053 0.000 0.000) 0.053 4.389 ( -3.501 0.000 0.000) 3.501 4.401 ( -3.585 0.000 0.000) 3.585 4.428 ( 1.141 0.000 0.000) 1.141 4.479 ( 0.489 0.000 0.000) 0.489 4.543 ( -1.483 0.000 0.000) 1.483 4.570 ( 0.817 0.000 0.000) 0.817 4.596 ( 0.017 0.000 0.000) 0.017 5.075 ( 2.087 0.000 0.000) 2.087 5.117 ( 4.172 0.000 0.000) 4.172 5.159 ( -0.945 0.000 0.000) 0.945 5.275 ( -2.673 0.000 0.000) 2.673 7.914 ( 10.823 0.000 0.000) 10.823 8.024 ( 6.415 0.000 0.000) 6.415 8.092 ( 0.128 0.000 0.000) 0.128 8.152 ( 3.381 0.000 0.000) 3.381 8.210 ( 0.572 0.000 0.000) 0.572 8.226 ( -1.125 0.000 0.000) 1.125 8.232 ( -0.988 0.000 0.000) 0.988 8.260 ( 0.577 0.000 0.000) 0.577 8.261 ( 0.518 0.000 0.000) 0.518 8.262 ( -2.219 0.000 0.000) 2.219 8.306 ( -1.226 0.000 0.000) 1.226 8.335 ( -2.551 0.000 0.000) 2.551 ======================= Grid point 3 (4/56) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -2.202 0.000 0.000) 2.202 0.878 ( 2.202 0.000 0.000) 2.202 1.082 ( -16.608 0.000 0.000) 16.608 1.082 ( 16.609 0.000 0.000) 16.609 1.083 ( -9.208 0.000 0.000) 9.208 1.083 ( 9.208 0.000 0.000) 9.208 1.460 ( -6.883 0.000 0.000) 6.883 1.460 ( 6.883 0.000 0.000) 6.883 1.589 ( -4.954 0.000 0.000) 4.954 1.589 ( 4.954 0.000 0.000) 4.954 1.643 ( -17.827 0.000 0.000) 17.827 1.643 ( 17.827 0.000 0.000) 17.827 2.021 ( -12.658 0.000 0.000) 12.658 2.021 ( 12.658 0.000 0.000) 12.658 2.041 ( -8.199 0.000 0.000) 8.199 2.041 ( 8.199 0.000 0.000) 8.199 2.219 ( -3.753 0.000 0.000) 3.753 2.219 ( 3.753 0.000 0.000) 3.753 2.261 ( -8.939 0.000 0.000) 8.939 2.261 ( 8.939 0.000 0.000) 8.939 2.411 ( -5.341 0.000 0.000) 5.341 2.411 ( 5.340 0.000 0.000) 5.340 2.596 ( -0.917 0.000 0.000) 0.917 2.596 ( 0.917 0.000 0.000) 0.917 2.685 ( -3.040 0.000 0.000) 3.040 2.685 ( 3.040 0.000 0.000) 3.040 2.765 ( -2.715 0.000 0.000) 2.715 2.765 ( 2.715 0.000 0.000) 2.715 2.870 ( -2.060 0.000 0.000) 2.060 2.870 ( 2.060 0.000 0.000) 2.060 2.920 ( -4.626 0.000 0.000) 4.626 2.920 ( 4.626 0.000 0.000) 4.626 2.980 ( -5.801 0.000 0.000) 5.801 2.980 ( 5.801 0.000 0.000) 5.801 3.182 ( -6.925 0.000 0.000) 6.925 3.182 ( 6.925 0.000 0.000) 6.925 3.970 ( -1.690 0.000 0.000) 1.690 3.970 ( 1.690 0.000 0.000) 1.690 3.975 ( -0.809 0.000 0.000) 0.809 3.975 ( 0.809 0.000 0.000) 0.809 4.150 ( -1.954 0.000 0.000) 1.954 4.150 ( 1.954 0.000 0.000) 1.954 4.204 ( -1.212 0.000 0.000) 1.212 4.204 ( 1.212 0.000 0.000) 1.212 4.311 ( -4.649 0.000 0.000) 4.649 4.311 ( 4.649 0.000 0.000) 4.649 4.322 ( -4.631 0.000 0.000) 4.631 4.322 ( 4.631 0.000 0.000) 4.631 4.369 ( -1.609 0.000 0.000) 1.609 4.369 ( 1.609 0.000 0.000) 1.609 4.418 ( -2.939 0.000 0.000) 2.939 4.418 ( 2.939 0.000 0.000) 2.939 4.497 ( -2.177 0.000 0.000) 2.177 4.497 ( 2.177 0.000 0.000) 2.177 4.584 ( -0.850 0.000 0.000) 0.850 4.584 ( 0.850 0.000 0.000) 0.850 5.119 ( -2.256 0.000 0.000) 2.256 5.119 ( 2.256 0.000 0.000) 2.256 5.209 ( -4.231 0.000 0.000) 4.231 5.209 ( 4.231 0.000 0.000) 4.231 8.061 ( -4.117 0.000 0.000) 4.117 8.061 ( 4.117 0.000 0.000) 4.117 8.165 ( -7.771 0.000 0.000) 7.771 8.165 ( 7.771 0.000 0.000) 7.771 8.202 ( -1.654 0.000 0.000) 1.654 8.202 ( 1.654 0.000 0.000) 1.654 8.221 ( -0.201 0.000 0.000) 0.201 8.221 ( 0.201 0.000 0.000) 0.201 8.266 ( -0.057 0.000 0.000) 0.057 8.266 ( 0.057 0.000 0.000) 0.057 8.295 ( -0.961 0.000 0.000) 0.961 8.295 ( 0.961 0.000 0.000) 0.961 ======================= Grid point 7 (5/56) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 0.000 19.262 0.000) 19.262 0.498 ( 0.000 25.046 0.000) 25.046 0.729 ( 0.000 35.516 0.000) 35.516 0.968 ( 0.000 18.562 0.000) 18.562 1.132 ( 0.000 1.315 0.000) 1.315 1.162 ( 0.000 12.099 0.000) 12.099 1.167 ( 0.000 3.788 0.000) 3.788 1.537 ( 0.000 -1.053 0.000) 1.053 1.608 ( 0.000 13.297 0.000) 13.297 1.681 ( 0.000 9.447 0.000) 9.447 1.694 ( 0.000 -2.347 0.000) 2.347 1.771 ( 0.000 5.726 0.000) 5.726 1.857 ( 0.000 -1.134 0.000) 1.134 1.933 ( 0.000 4.634 0.000) 4.634 2.021 ( 0.000 3.965 0.000) 3.965 2.240 ( 0.000 2.669 0.000) 2.669 2.272 ( 0.000 -1.224 0.000) 1.224 2.306 ( 0.000 10.554 0.000) 10.554 2.345 ( 0.000 8.435 0.000) 8.435 2.348 ( 0.000 -0.555 0.000) 0.555 2.373 ( 0.000 4.260 0.000) 4.260 2.475 ( 0.000 2.121 0.000) 2.121 2.556 ( 0.000 -3.562 0.000) 3.562 2.658 ( 0.000 1.544 0.000) 1.544 2.674 ( 0.000 6.829 0.000) 6.829 2.727 ( 0.000 -0.801 0.000) 0.801 2.791 ( 0.000 0.511 0.000) 0.511 2.823 ( 0.000 17.538 0.000) 17.538 2.865 ( 0.000 -5.870 0.000) 5.870 2.929 ( 0.000 11.062 0.000) 11.062 2.973 ( 0.000 1.179 0.000) 1.179 3.026 ( 0.000 -1.137 0.000) 1.137 3.056 ( 0.000 -2.333 0.000) 2.333 3.152 ( 0.000 4.087 0.000) 4.087 3.222 ( 0.000 -6.501 0.000) 6.501 3.281 ( 0.000 -7.504 0.000) 7.504 3.752 ( 0.000 3.248 0.000) 3.248 3.900 ( 0.000 5.604 0.000) 5.604 3.912 ( 0.000 4.650 0.000) 4.650 3.986 ( 0.000 -0.438 0.000) 0.438 3.994 ( 0.000 1.140 0.000) 1.140 4.032 ( 0.000 0.386 0.000) 0.386 4.080 ( 0.000 0.235 0.000) 0.235 4.175 ( 0.000 2.639 0.000) 2.639 4.206 ( 0.000 2.608 0.000) 2.608 4.283 ( 0.000 -1.958 0.000) 1.958 4.310 ( 0.000 -1.834 0.000) 1.834 4.332 ( 0.000 -1.752 0.000) 1.752 4.359 ( 0.000 0.737 0.000) 0.737 4.381 ( 0.000 2.269 0.000) 2.269 4.429 ( 0.000 -0.784 0.000) 0.784 4.431 ( 0.000 -1.530 0.000) 1.530 4.485 ( 0.000 1.384 0.000) 1.384 4.495 ( 0.000 2.584 0.000) 2.584 4.522 ( 0.000 -1.027 0.000) 1.027 4.551 ( 0.000 -1.397 0.000) 1.397 4.996 ( 0.000 -1.892 0.000) 1.892 5.027 ( 0.000 -1.538 0.000) 1.538 5.150 ( 0.000 -2.710 0.000) 2.710 5.277 ( 0.000 -3.826 0.000) 3.826 7.623 ( 0.000 0.955 0.000) 0.955 7.875 ( 0.000 -0.335 0.000) 0.335 8.002 ( 0.000 -7.074 0.000) 7.074 8.003 ( 0.000 -9.466 0.000) 9.466 8.082 ( 0.000 -11.635 0.000) 11.635 8.104 ( 0.000 -3.946 0.000) 3.946 8.210 ( 0.000 -12.928 0.000) 12.928 8.239 ( 0.000 -2.705 0.000) 2.705 8.243 ( 0.000 0.433 0.000) 0.433 8.314 ( 0.000 0.421 0.000) 0.421 8.342 ( 0.000 0.672 0.000) 0.672 8.442 ( 0.000 -1.340 0.000) 1.340 ======================= Grid point 8 (6/56) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 7.355 16.781 0.000) 18.322 0.509 ( 12.449 12.830 0.000) 17.877 0.958 ( 8.419 20.193 0.000) 21.878 0.994 ( 12.156 11.617 0.000) 16.814 1.044 ( -5.324 4.322 0.000) 6.858 1.245 ( 4.815 5.367 0.000) 7.211 1.335 ( 13.292 15.392 0.000) 20.337 1.412 ( -6.873 10.893 0.000) 12.881 1.581 ( -4.944 -3.414 0.000) 6.009 1.648 ( -4.265 6.304 0.000) 7.611 1.734 ( -3.130 2.164 0.000) 3.805 1.774 ( 4.666 4.546 0.000) 6.514 1.876 ( 2.643 0.415 0.000) 2.676 1.966 ( 1.874 6.519 0.000) 6.783 2.022 ( 0.515 2.792 0.000) 2.839 2.175 ( -0.420 8.414 0.000) 8.425 2.218 ( -3.565 0.699 0.000) 3.633 2.291 ( -2.993 -2.561 0.000) 3.939 2.365 ( 2.039 8.930 0.000) 9.159 2.409 ( -3.171 7.845 0.000) 8.461 2.470 ( -0.858 -2.105 0.000) 2.273 2.475 ( 11.142 4.130 0.000) 11.883 2.580 ( 2.434 -3.474 0.000) 4.241 2.586 ( -6.271 -4.875 0.000) 7.943 2.674 ( -2.635 2.832 0.000) 3.868 2.723 ( 5.355 0.294 0.000) 5.363 2.817 ( 2.236 4.827 0.000) 5.320 2.835 ( 1.634 12.609 0.000) 12.715 2.872 ( -0.563 3.651 0.000) 3.695 2.919 ( -0.782 11.965 0.000) 11.990 2.942 ( -2.785 2.847 0.000) 3.983 3.036 ( -2.419 -1.335 0.000) 2.763 3.039 ( 1.344 -0.706 0.000) 1.518 3.117 ( -3.204 6.093 0.000) 6.884 3.248 ( -0.785 -1.758 0.000) 1.925 3.267 ( -0.339 -6.650 0.000) 6.659 3.855 ( 8.680 0.042 0.000) 8.680 3.906 ( 0.821 3.909 0.000) 3.994 3.916 ( 1.018 2.614 0.000) 2.805 3.970 ( -0.719 -1.363 0.000) 1.541 4.030 ( 3.479 3.598 0.000) 5.005 4.056 ( 2.556 -0.601 0.000) 2.626 4.084 ( 0.802 -0.519 0.000) 0.955 4.185 ( 1.089 2.042 0.000) 2.314 4.216 ( 1.072 2.175 0.000) 2.425 4.269 ( -3.086 0.248 0.000) 3.096 4.286 ( 0.275 -1.984 0.000) 2.003 4.341 ( 0.087 -2.722 0.000) 2.723 4.382 ( 1.563 1.054 0.000) 1.885 4.416 ( 2.928 2.319 0.000) 3.735 4.427 ( -0.758 -1.687 0.000) 1.849 4.437 ( -1.227 -2.491 0.000) 2.777 4.494 ( 0.554 3.012 0.000) 3.063 4.515 ( 2.747 0.276 0.000) 2.761 4.530 ( 0.406 -1.457 0.000) 1.512 4.562 ( 1.144 -1.421 0.000) 1.824 5.024 ( 2.845 -2.050 0.000) 3.507 5.030 ( 0.491 -1.789 0.000) 1.855 5.146 ( -0.511 -2.796 0.000) 2.842 5.269 ( -0.855 -3.782 0.000) 3.878 7.711 ( 8.438 -0.317 0.000) 8.444 7.913 ( 3.735 -0.842 0.000) 3.829 8.009 ( 0.596 -9.415 0.000) 9.434 8.013 ( 1.180 -7.696 0.000) 7.786 8.073 ( -0.540 -10.796 0.000) 10.809 8.117 ( 0.943 -4.884 0.000) 4.975 8.165 ( -2.615 -9.938 0.000) 10.277 8.245 ( 0.300 -3.035 0.000) 3.050 8.257 ( 0.289 -0.792 0.000) 0.843 8.311 ( -0.392 0.520 0.000) 0.651 8.343 ( 0.109 0.470 0.000) 0.483 8.406 ( -2.237 0.599 0.000) 2.316 ======================= Grid point 9 (7/56) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 19.380 0.458 0.000) 19.386 0.780 ( 14.925 5.250 0.000) 15.821 0.972 ( -1.571 8.496 0.000) 8.640 1.032 ( 0.775 7.769 0.000) 7.808 1.204 ( 1.943 2.631 0.000) 3.271 1.327 ( 3.101 11.232 0.000) 11.652 1.398 ( 4.464 1.381 0.000) 4.673 1.462 ( 2.269 10.598 0.000) 10.838 1.499 ( -11.033 -3.564 0.000) 11.595 1.610 ( 11.113 16.440 0.000) 19.843 1.682 ( -2.231 2.008 0.000) 3.002 1.805 ( 0.218 -1.913 0.000) 1.925 1.944 ( -4.418 6.118 0.000) 7.547 1.965 ( 6.027 2.722 0.000) 6.613 2.071 ( 5.604 1.599 0.000) 5.827 2.118 ( -11.454 -7.658 0.000) 13.779 2.203 ( -5.967 -1.882 0.000) 6.257 2.251 ( 7.098 9.321 0.000) 11.716 2.300 ( -3.549 4.567 0.000) 5.784 2.421 ( 3.667 10.132 0.000) 10.775 2.427 ( -1.241 -0.133 0.000) 1.248 2.548 ( -2.382 5.770 0.000) 6.243 2.590 ( 1.257 -1.395 0.000) 1.878 2.616 ( -2.637 2.924 0.000) 3.937 2.699 ( 8.909 2.199 0.000) 9.177 2.822 ( 4.719 2.218 0.000) 5.214 2.849 ( 2.118 9.140 0.000) 9.382 2.860 ( -0.052 5.022 0.000) 5.022 2.885 ( 0.576 5.464 0.000) 5.494 2.895 ( -1.932 7.085 0.000) 7.344 2.928 ( 4.049 10.232 0.000) 11.004 2.963 ( -5.318 2.462 0.000) 5.860 3.032 ( -5.469 6.402 0.000) 8.420 3.080 ( 3.335 0.772 0.000) 3.423 3.162 ( -6.372 4.880 0.000) 8.026 3.256 ( -2.635 -3.770 0.000) 4.599 3.932 ( 1.785 0.532 0.000) 1.863 3.947 ( 1.572 -0.122 0.000) 1.577 3.961 ( 1.858 -2.276 0.000) 2.938 3.962 ( -0.134 -2.042 0.000) 2.047 4.111 ( 2.594 -1.187 0.000) 2.853 4.128 ( 4.194 -0.525 0.000) 4.227 4.158 ( 7.908 3.745 0.000) 8.750 4.212 ( -2.759 1.539 0.000) 3.159 4.219 ( 2.673 -0.073 0.000) 2.674 4.245 ( 1.903 0.731 0.000) 2.039 4.297 ( 1.220 -1.800 0.000) 2.174 4.332 ( -0.735 -3.372 0.000) 3.452 4.376 ( -3.589 -1.780 0.000) 4.006 4.399 ( 0.258 0.874 0.000) 0.912 4.419 ( -0.842 -0.205 0.000) 0.867 4.458 ( 1.122 2.498 0.000) 2.739 4.505 ( 0.333 2.856 0.000) 2.876 4.524 ( -1.160 -1.294 0.000) 1.738 4.558 ( 1.628 -0.310 0.000) 1.657 4.583 ( 0.621 -0.884 0.000) 1.080 5.051 ( 1.774 -2.373 0.000) 2.962 5.093 ( 4.003 -2.438 0.000) 4.687 5.129 ( -1.089 -2.992 0.000) 3.184 5.239 ( -2.481 -3.575 0.000) 4.352 7.902 ( 10.754 -1.401 0.000) 10.845 7.993 ( 3.797 -4.598 0.000) 5.963 8.023 ( 0.701 -9.280 0.000) 9.306 8.048 ( 2.950 -6.425 0.000) 7.070 8.068 ( 0.069 -10.709 0.000) 10.709 8.126 ( -0.439 -5.033 0.000) 5.052 8.127 ( -1.640 -11.184 0.000) 11.304 8.230 ( -2.470 -3.244 0.000) 4.077 8.262 ( 0.594 0.616 0.000) 0.856 8.300 ( -0.807 0.556 0.000) 0.981 8.342 ( -0.190 0.354 0.000) 0.402 8.371 ( -1.615 0.517 0.000) 1.696 ======================= Grid point 10 (8/56) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -1.957 6.682 0.000) 6.962 0.957 ( 1.957 6.681 0.000) 6.962 1.045 ( -6.430 4.572 0.000) 7.889 1.045 ( 6.430 4.572 0.000) 7.890 1.206 ( -11.604 -0.086 0.000) 11.605 1.206 ( 11.604 -0.086 0.000) 11.605 1.404 ( -0.111 3.829 0.000) 3.830 1.404 ( 0.111 3.829 0.000) 3.830 1.625 ( -5.799 2.655 0.000) 6.378 1.625 ( 5.799 2.655 0.000) 6.378 1.818 ( -9.321 11.761 0.000) 15.007 1.818 ( 9.321 11.761 0.000) 15.007 1.869 ( -10.125 -8.403 0.000) 13.158 1.869 ( 10.125 -8.403 0.000) 13.158 2.085 ( -6.479 0.271 0.000) 6.485 2.085 ( 6.479 0.271 0.000) 6.485 2.208 ( -7.305 1.220 0.000) 7.407 2.208 ( 7.305 1.220 0.000) 7.407 2.388 ( -5.893 8.773 0.000) 10.569 2.388 ( 5.893 8.773 0.000) 10.569 2.477 ( -2.346 7.867 0.000) 8.210 2.477 ( 2.346 7.867 0.000) 8.210 2.597 ( -0.226 1.510 0.000) 1.527 2.597 ( 0.226 1.510 0.000) 1.527 2.837 ( -5.777 8.465 0.000) 10.248 2.837 ( 5.777 8.465 0.000) 10.248 2.870 ( -1.686 4.900 0.000) 5.182 2.870 ( 1.686 4.899 0.000) 5.181 2.877 ( -0.390 5.736 0.000) 5.749 2.877 ( 0.390 5.736 0.000) 5.749 2.929 ( -5.329 3.393 0.000) 6.317 2.929 ( 5.329 3.393 0.000) 6.317 3.037 ( -6.552 6.823 0.000) 9.459 3.037 ( 6.552 6.823 0.000) 9.459 3.171 ( -5.682 -0.230 0.000) 5.686 3.171 ( 5.682 -0.230 0.000) 5.686 3.958 ( -0.612 -1.852 0.000) 1.950 3.958 ( 0.612 -1.852 0.000) 1.950 3.966 ( -0.630 -0.807 0.000) 1.024 3.966 ( 0.630 -0.807 0.000) 1.024 4.161 ( -2.604 0.749 0.000) 2.710 4.161 ( 2.604 0.749 0.000) 2.710 4.201 ( -2.448 0.027 0.000) 2.448 4.201 ( 2.448 0.027 0.000) 2.449 4.280 ( -2.477 -2.202 0.000) 3.314 4.280 ( 2.477 -2.202 0.000) 3.314 4.290 ( -3.905 -2.000 0.000) 4.387 4.290 ( 3.905 -2.000 0.000) 4.387 4.397 ( -1.145 1.145 0.000) 1.619 4.397 ( 1.145 1.145 0.000) 1.619 4.427 ( -4.037 -0.174 0.000) 4.041 4.427 ( 4.037 -0.174 0.000) 4.041 4.506 ( -0.094 1.921 0.000) 1.923 4.506 ( 0.094 1.921 0.000) 1.923 4.580 ( -0.797 -0.096 0.000) 0.803 4.580 ( 0.798 -0.096 0.000) 0.803 5.091 ( -2.163 -2.789 0.000) 3.529 5.091 ( 2.163 -2.789 0.000) 3.529 5.177 ( -3.979 -3.138 0.000) 5.067 5.177 ( 3.979 -3.138 0.000) 5.067 8.025 ( -0.879 -7.316 0.000) 7.368 8.025 ( 0.879 -7.316 0.000) 7.368 8.060 ( -3.218 -6.976 0.000) 7.682 8.060 ( 3.218 -6.976 0.000) 7.682 8.104 ( -0.288 -10.183 0.000) 10.187 8.104 ( 0.288 -10.183 0.000) 10.187 8.142 ( -6.164 -2.626 0.000) 6.700 8.142 ( 6.164 -2.626 0.000) 6.700 8.281 ( -1.178 0.711 0.000) 1.376 8.281 ( 1.178 0.711 0.000) 1.376 8.346 ( -0.827 0.554 0.000) 0.996 8.346 ( 0.827 0.554 0.000) 0.996 ======================= Grid point 14 (9/56) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 0.000 18.357 0.000) 18.357 0.951 ( 0.000 21.216 0.000) 21.216 1.219 ( 0.000 7.268 0.000) 7.268 1.269 ( 0.000 6.396 0.000) 6.396 1.290 ( 0.000 18.985 0.000) 18.985 1.359 ( 0.000 18.364 0.000) 18.364 1.461 ( 0.000 17.450 0.000) 17.450 1.639 ( 0.000 15.127 0.000) 15.127 1.702 ( 0.000 4.499 0.000) 4.499 1.752 ( 0.000 -0.664 0.000) 0.664 1.795 ( 0.000 1.486 0.000) 1.486 1.896 ( 0.000 6.351 0.000) 6.351 1.950 ( 0.000 14.194 0.000) 14.194 2.103 ( 0.000 5.196 0.000) 5.196 2.141 ( 0.000 13.468 0.000) 13.468 2.204 ( 0.000 -4.683 0.000) 4.683 2.318 ( 0.000 4.232 0.000) 4.232 2.386 ( 0.000 3.602 0.000) 3.602 2.398 ( 0.000 -1.904 0.000) 1.904 2.432 ( 0.000 -0.183 0.000) 0.183 2.488 ( 0.000 -0.539 0.000) 0.539 2.521 ( 0.000 10.207 0.000) 10.207 2.636 ( 0.000 12.921 0.000) 12.921 2.650 ( 0.000 -9.052 0.000) 9.052 2.693 ( 0.000 -7.377 0.000) 7.377 2.698 ( 0.000 2.448 0.000) 2.448 2.759 ( 0.000 -4.371 0.000) 4.371 2.772 ( 0.000 -1.401 0.000) 1.401 2.998 ( 0.000 -1.102 0.000) 1.102 3.001 ( 0.000 -0.264 0.000) 0.264 3.037 ( 0.000 -1.589 0.000) 1.589 3.202 ( 0.000 9.404 0.000) 9.404 3.216 ( 0.000 21.293 0.000) 21.293 3.216 ( 0.000 0.786 0.000) 0.786 3.253 ( 0.000 19.294 0.000) 19.294 3.275 ( 0.000 9.634 0.000) 9.634 3.813 ( 0.000 1.532 0.000) 1.532 3.914 ( 0.000 -2.015 0.000) 2.015 3.923 ( 0.000 -1.822 0.000) 1.822 3.958 ( 0.000 -2.636 0.000) 2.636 4.033 ( 0.000 3.466 0.000) 3.466 4.140 ( 0.000 8.073 0.000) 8.073 4.168 ( 0.000 6.773 0.000) 6.773 4.233 ( 0.000 3.355 0.000) 3.355 4.242 ( 0.000 -1.998 0.000) 1.998 4.262 ( 0.000 2.876 0.000) 2.876 4.283 ( 0.000 -3.461 0.000) 3.461 4.287 ( 0.000 -0.698 0.000) 0.698 4.340 ( 0.000 -2.590 0.000) 2.590 4.417 ( 0.000 0.291 0.000) 0.291 4.427 ( 0.000 0.933 0.000) 0.933 4.429 ( 0.000 1.917 0.000) 1.917 4.518 ( 0.000 1.908 0.000) 1.908 4.529 ( 0.000 0.150 0.000) 0.150 4.537 ( 0.000 3.057 0.000) 3.057 4.545 ( 0.000 2.256 0.000) 2.256 4.957 ( 0.000 -1.421 0.000) 1.421 4.989 ( 0.000 -1.867 0.000) 1.867 5.081 ( 0.000 -3.880 0.000) 3.880 5.178 ( 0.000 -5.794 0.000) 5.794 7.628 ( 0.000 -2.346 0.000) 2.346 7.746 ( 0.000 -15.679 0.000) 15.679 7.807 ( 0.000 -16.354 0.000) 16.354 7.828 ( 0.000 -8.086 0.000) 8.086 7.861 ( 0.000 -3.412 0.000) 3.412 7.916 ( 0.000 -14.577 0.000) 14.577 8.042 ( 0.000 -3.070 0.000) 3.070 8.164 ( 0.000 -4.880 0.000) 4.880 8.222 ( 0.000 -3.020 0.000) 3.020 8.275 ( 0.000 -4.616 0.000) 4.616 8.292 ( 0.000 -5.523 0.000) 5.523 8.360 ( 0.000 -6.713 0.000) 6.713 ======================= Grid point 15 (10/56) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 6.063 16.248 0.000) 17.342 0.875 ( -4.318 21.671 0.000) 22.097 1.195 ( -1.256 10.298 0.000) 10.374 1.222 ( -3.946 15.977 0.000) 16.457 1.325 ( 4.320 3.465 0.000) 5.538 1.376 ( 0.878 14.955 0.000) 14.981 1.523 ( 4.691 8.695 0.000) 9.880 1.580 ( -8.404 5.263 0.000) 9.916 1.728 ( -3.430 -1.699 0.000) 3.827 1.774 ( 10.100 20.060 0.000) 22.459 1.808 ( -7.324 8.015 0.000) 10.858 1.812 ( 0.478 -0.030 0.000) 0.479 2.012 ( 3.642 11.364 0.000) 11.933 2.108 ( 1.342 7.308 0.000) 7.430 2.129 ( -5.625 2.921 0.000) 6.338 2.171 ( -2.648 0.001 0.000) 2.648 2.257 ( -7.080 -3.538 0.000) 7.915 2.330 ( 2.694 7.025 0.000) 7.524 2.425 ( -2.909 -1.630 0.000) 3.335 2.469 ( -5.113 1.092 0.000) 5.229 2.475 ( 4.363 0.066 0.000) 4.363 2.549 ( 5.351 2.518 0.000) 5.913 2.581 ( 4.185 5.822 0.000) 7.171 2.639 ( 1.554 10.025 0.000) 10.145 2.681 ( -1.266 -4.529 0.000) 4.703 2.743 ( 5.012 2.837 0.000) 5.759 2.833 ( 5.189 1.927 0.000) 5.535 2.948 ( 9.002 -3.796 0.000) 9.769 3.000 ( 0.012 0.564 0.000) 0.564 3.020 ( 0.316 2.124 0.000) 2.147 3.045 ( 1.610 2.639 0.000) 3.091 3.180 ( -1.290 2.175 0.000) 2.529 3.230 ( 1.302 20.028 0.000) 20.071 3.231 ( 0.310 7.386 0.000) 7.393 3.254 ( 0.149 19.629 0.000) 19.630 3.285 ( 0.997 7.244 0.000) 7.312 3.854 ( 3.521 -0.865 0.000) 3.626 3.920 ( -0.193 -1.753 0.000) 1.764 3.923 ( 0.630 -1.481 0.000) 1.609 3.929 ( -1.714 -2.637 0.000) 3.145 4.105 ( 6.288 3.644 0.000) 7.268 4.122 ( -0.910 6.448 0.000) 6.512 4.137 ( -2.251 5.402 0.000) 5.852 4.232 ( -0.050 2.537 0.000) 2.537 4.241 ( -0.178 -1.788 0.000) 1.797 4.262 ( 0.189 2.264 0.000) 2.272 4.276 ( -1.033 -3.562 0.000) 3.709 4.286 ( -0.043 -0.352 0.000) 0.355 4.368 ( 1.778 -2.212 0.000) 2.838 4.397 ( -2.260 0.026 0.000) 2.260 4.413 ( -0.794 0.240 0.000) 0.829 4.452 ( 1.803 0.292 0.000) 1.827 4.529 ( 0.557 2.081 0.000) 2.154 4.538 ( 1.694 1.533 0.000) 2.285 4.557 ( 1.028 2.908 0.000) 3.084 4.560 ( 1.746 2.261 0.000) 2.857 4.980 ( 2.288 -1.837 0.000) 2.934 4.986 ( -0.097 -2.167 0.000) 2.169 5.075 ( -0.719 -3.994 0.000) 4.058 5.173 ( -0.627 -5.608 0.000) 5.643 7.682 ( 5.000 -5.617 0.000) 7.520 7.754 ( 0.787 -15.544 0.000) 15.564 7.803 ( -0.362 -16.238 0.000) 16.242 7.836 ( 1.359 -5.882 0.000) 6.037 7.877 ( -0.125 -12.914 0.000) 12.914 7.918 ( 1.871 -5.237 0.000) 5.561 8.052 ( 0.847 -3.080 0.000) 3.195 8.164 ( -0.187 -5.170 0.000) 5.173 8.225 ( 0.286 -3.310 0.000) 3.323 8.271 ( -0.417 -4.698 0.000) 4.716 8.294 ( 0.135 -5.355 0.000) 5.357 8.348 ( -1.094 -6.003 0.000) 6.102 ======================= Grid point 16 (11/56) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 6.961 12.153 0.000) 14.005 0.956 ( 10.046 12.225 0.000) 15.823 1.183 ( -0.330 11.674 0.000) 11.678 1.217 ( 2.571 11.790 0.000) 12.067 1.364 ( -5.523 11.582 0.000) 12.831 1.368 ( -3.068 -2.052 0.000) 3.691 1.399 ( -3.835 2.108 0.000) 4.376 1.593 ( -6.240 7.397 0.000) 9.677 1.635 ( 4.709 6.190 0.000) 7.778 1.728 ( -2.101 2.831 0.000) 3.526 1.788 ( -2.747 -0.354 0.000) 2.770 1.892 ( -14.690 -9.467 0.000) 17.477 1.954 ( 7.812 15.806 0.000) 17.631 2.053 ( 1.782 5.851 0.000) 6.116 2.128 ( -2.569 8.185 0.000) 8.579 2.157 ( 3.766 6.935 0.000) 7.892 2.166 ( -3.912 -1.410 0.000) 4.158 2.337 ( -4.621 -0.994 0.000) 4.726 2.442 ( 7.863 9.700 0.000) 12.487 2.483 ( 3.017 6.698 0.000) 7.346 2.565 ( 2.573 0.182 0.000) 2.579 2.613 ( 2.874 6.549 0.000) 7.152 2.632 ( 1.807 -0.649 0.000) 1.920 2.666 ( 0.219 2.124 0.000) 2.136 2.743 ( 7.113 1.704 0.000) 7.315 2.863 ( 7.103 5.968 0.000) 9.278 2.938 ( 5.545 5.278 0.000) 7.655 2.964 ( -3.424 2.094 0.000) 4.013 3.008 ( 1.157 2.199 0.000) 2.485 3.035 ( -1.536 7.381 0.000) 7.539 3.084 ( 1.297 8.223 0.000) 8.324 3.137 ( -4.098 0.957 0.000) 4.208 3.245 ( 1.623 7.490 0.000) 7.664 3.255 ( 1.155 16.698 0.000) 16.738 3.260 ( 0.498 19.365 0.000) 19.372 3.292 ( -0.591 8.767 0.000) 8.787 3.907 ( -0.336 -3.436 0.000) 3.452 3.912 ( 2.012 -2.613 0.000) 3.298 3.913 ( -0.405 -1.991 0.000) 2.032 3.935 ( 0.449 -1.249 0.000) 1.327 4.113 ( 0.302 1.964 0.000) 1.987 4.139 ( 2.746 1.745 0.000) 3.253 4.204 ( -0.706 -1.166 0.000) 1.363 4.234 ( 0.381 1.488 0.000) 1.536 4.237 ( 0.748 0.985 0.000) 1.237 4.262 ( 1.305 -3.610 0.000) 3.839 4.270 ( 0.513 1.478 0.000) 1.565 4.284 ( -0.215 0.266 0.000) 0.342 4.353 ( -0.897 1.202 0.000) 1.500 4.388 ( 0.500 -1.420 0.000) 1.505 4.403 ( -0.349 -0.307 0.000) 0.465 4.468 ( -0.673 -1.449 0.000) 1.598 4.549 ( 1.284 3.636 0.000) 3.857 4.570 ( 1.287 1.536 0.000) 2.004 4.573 ( 0.685 3.237 0.000) 3.309 4.589 ( 1.038 1.798 0.000) 2.076 4.993 ( 0.971 -2.979 0.000) 3.133 5.036 ( 3.394 -2.835 0.000) 4.423 5.054 ( -1.457 -4.185 0.000) 4.431 5.149 ( -1.947 -5.072 0.000) 5.433 7.762 ( 2.422 -13.673 0.000) 13.885 7.774 ( 1.276 -15.052 0.000) 15.106 7.797 ( -0.164 -16.315 0.000) 16.316 7.847 ( -1.887 -15.695 0.000) 15.808 7.910 ( 6.259 -1.704 0.000) 6.487 7.989 ( 4.590 -2.289 0.000) 5.129 8.061 ( -0.313 -2.975 0.000) 2.992 8.145 ( -2.180 -5.213 0.000) 5.651 8.232 ( 0.522 -3.754 0.000) 3.790 8.260 ( -0.710 -4.647 0.000) 4.701 8.296 ( 0.108 -5.061 0.000) 5.062 8.325 ( -1.256 -5.133 0.000) 5.285 ======================= Grid point 17 (12/56) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -8.441 4.725 0.000) 9.674 1.084 ( 8.441 4.725 0.000) 9.674 1.177 ( -8.561 7.049 0.000) 11.090 1.177 ( 8.561 7.049 0.000) 11.090 1.255 ( -2.456 10.800 0.000) 11.075 1.255 ( 2.456 10.800 0.000) 11.075 1.495 ( -8.391 2.431 0.000) 8.736 1.495 ( 8.391 2.431 0.000) 8.736 1.702 ( -2.766 4.337 0.000) 5.144 1.702 ( 2.766 4.337 0.000) 5.144 1.729 ( -1.234 -3.193 0.000) 3.423 1.729 ( 1.234 -3.193 0.000) 3.423 2.066 ( -4.375 11.601 0.000) 12.398 2.066 ( 4.375 11.601 0.000) 12.398 2.098 ( -3.100 2.101 0.000) 3.745 2.098 ( 3.100 2.101 0.000) 3.745 2.246 ( -5.155 1.663 0.000) 5.416 2.246 ( 5.155 1.663 0.000) 5.416 2.531 ( -0.974 5.755 0.000) 5.837 2.531 ( 0.974 5.755 0.000) 5.837 2.594 ( -3.889 2.499 0.000) 4.623 2.594 ( 3.890 2.499 0.000) 4.623 2.675 ( -1.316 4.690 0.000) 4.871 2.675 ( 1.316 4.690 0.000) 4.871 2.872 ( -6.226 1.157 0.000) 6.332 2.872 ( 6.226 1.157 0.000) 6.332 2.979 ( -4.453 7.418 0.000) 8.652 2.979 ( 4.453 7.418 0.000) 8.652 3.038 ( -5.557 5.976 0.000) 8.160 3.038 ( 5.557 5.976 0.000) 8.160 3.055 ( -3.374 6.054 0.000) 6.931 3.055 ( 3.374 6.054 0.000) 6.931 3.265 ( -0.120 11.988 0.000) 11.989 3.265 ( 0.120 11.988 0.000) 11.989 3.274 ( -0.903 14.913 0.000) 14.940 3.274 ( 0.903 14.913 0.000) 14.940 3.906 ( -0.256 -3.070 0.000) 3.081 3.906 ( 0.256 -3.070 0.000) 3.081 3.935 ( -0.490 -2.135 0.000) 2.191 3.935 ( 0.490 -2.135 0.000) 2.191 4.149 ( -3.137 -1.552 0.000) 3.500 4.149 ( 3.137 -1.552 0.000) 3.500 4.208 ( -3.627 -0.723 0.000) 3.698 4.208 ( 3.627 -0.723 0.000) 3.698 4.248 ( -1.319 -0.489 0.000) 1.407 4.248 ( 1.319 -0.489 0.000) 1.407 4.279 ( -0.379 1.103 0.000) 1.166 4.279 ( 0.379 1.103 0.000) 1.166 4.394 ( -0.145 -0.755 0.000) 0.768 4.394 ( 0.145 -0.755 0.000) 0.768 4.419 ( -4.313 0.231 0.000) 4.319 4.419 ( 4.313 0.231 0.000) 4.319 4.568 ( -0.692 3.724 0.000) 3.787 4.568 ( 0.692 3.724 0.000) 3.787 4.593 ( -0.607 1.420 0.000) 1.544 4.593 ( 0.607 1.420 0.000) 1.544 5.021 ( -1.813 -3.790 0.000) 4.202 5.021 ( 1.813 -3.790 0.000) 4.202 5.100 ( -3.190 -4.146 0.000) 5.231 5.100 ( 3.190 -4.146 0.000) 5.231 7.784 ( -0.394 -14.904 0.000) 14.909 7.784 ( 0.394 -14.904 0.000) 14.909 7.811 ( -1.732 -16.162 0.000) 16.254 7.811 ( 1.732 -16.162 0.000) 16.254 8.023 ( -4.245 -2.417 0.000) 4.885 8.023 ( 4.245 -2.417 0.000) 4.885 8.077 ( -4.712 -3.916 0.000) 6.127 8.077 ( 4.712 -3.916 0.000) 6.127 8.245 ( -0.789 -4.291 0.000) 4.363 8.245 ( 0.789 -4.291 0.000) 4.363 8.304 ( -0.839 -4.817 0.000) 4.890 8.304 ( 0.839 -4.817 0.000) 4.890 ======================= Grid point 21 (13/56) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 0.000 15.679 0.000) 15.679 1.297 ( 0.000 14.069 0.000) 14.069 1.383 ( 0.000 8.789 0.000) 8.789 1.401 ( 0.000 7.156 0.000) 7.156 1.491 ( 0.000 8.260 0.000) 8.260 1.657 ( 0.000 8.114 0.000) 8.114 1.721 ( 0.000 -1.949 0.000) 1.949 1.791 ( 0.000 12.545 0.000) 12.545 1.832 ( 0.000 7.034 0.000) 7.034 1.859 ( 0.000 16.597 0.000) 16.597 1.964 ( 0.000 7.316 0.000) 7.316 1.989 ( 0.000 2.397 0.000) 2.397 2.116 ( 0.000 -4.062 0.000) 4.062 2.170 ( 0.000 4.713 0.000) 4.713 2.272 ( 0.000 -10.756 0.000) 10.756 2.293 ( 0.000 -0.404 0.000) 0.404 2.316 ( 0.000 19.040 0.000) 19.040 2.406 ( 0.000 8.134 0.000) 8.134 2.424 ( 0.000 -7.198 0.000) 7.198 2.462 ( 0.000 -4.115 0.000) 4.115 2.495 ( 0.000 6.058 0.000) 6.058 2.515 ( 0.000 -0.579 0.000) 0.579 2.553 ( 0.000 3.380 0.000) 3.380 2.635 ( 0.000 0.514 0.000) 0.514 2.715 ( 0.000 0.533 0.000) 0.533 2.739 ( 0.000 1.556 0.000) 1.556 2.800 ( 0.000 5.625 0.000) 5.625 2.900 ( 0.000 -6.636 0.000) 6.636 2.921 ( 0.000 15.563 0.000) 15.563 3.009 ( 0.000 -2.052 0.000) 2.052 3.015 ( 0.000 1.838 0.000) 1.838 3.181 ( 0.000 -4.467 0.000) 4.467 3.419 ( 0.000 7.845 0.000) 7.845 3.501 ( 0.000 9.528 0.000) 9.528 3.558 ( 0.000 11.378 0.000) 11.378 3.586 ( 0.000 12.044 0.000) 12.044 3.797 ( 0.000 -2.422 0.000) 2.422 3.875 ( 0.000 -1.988 0.000) 1.988 3.889 ( 0.000 -1.637 0.000) 1.637 3.890 ( 0.000 -4.050 0.000) 4.050 4.107 ( 0.000 2.836 0.000) 2.836 4.195 ( 0.000 -4.957 0.000) 4.957 4.209 ( 0.000 -3.509 0.000) 3.509 4.227 ( 0.000 0.720 0.000) 0.720 4.247 ( 0.000 0.120 0.000) 0.120 4.278 ( 0.000 0.084 0.000) 0.084 4.310 ( 0.000 5.363 0.000) 5.363 4.311 ( 0.000 4.388 0.000) 4.388 4.369 ( 0.000 5.101 0.000) 5.101 4.443 ( 0.000 1.659 0.000) 1.659 4.451 ( 0.000 1.757 0.000) 1.757 4.462 ( 0.000 2.185 0.000) 2.185 4.552 ( 0.000 1.711 0.000) 1.711 4.571 ( 0.000 0.216 0.000) 0.216 4.599 ( 0.000 6.985 0.000) 6.985 4.625 ( 0.000 5.638 0.000) 5.638 4.986 ( 0.000 6.104 0.000) 6.104 5.005 ( 0.000 5.534 0.000) 5.534 5.038 ( 0.000 1.008 0.000) 1.008 5.105 ( 0.000 0.502 0.000) 0.502 7.428 ( 0.000 -16.673 0.000) 16.673 7.448 ( 0.000 -14.008 0.000) 14.008 7.473 ( 0.000 -17.598 0.000) 17.598 7.539 ( 0.000 -19.637 0.000) 19.637 7.795 ( 0.000 2.506 0.000) 2.506 7.873 ( 0.000 0.211 0.000) 0.211 7.982 ( 0.000 -3.122 0.000) 3.122 8.048 ( 0.000 -7.497 0.000) 7.497 8.131 ( 0.000 -6.013 0.000) 6.013 8.141 ( 0.000 -8.825 0.000) 8.825 8.156 ( 0.000 -7.547 0.000) 7.547 8.202 ( 0.000 -8.990 0.000) 8.990 ======================= Grid point 22 (14/56) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 3.616 15.006 0.000) 15.435 1.248 ( -4.355 16.142 0.000) 16.719 1.387 ( -1.569 3.774 0.000) 4.087 1.409 ( 2.159 10.434 0.000) 10.655 1.489 ( -1.128 9.437 0.000) 9.504 1.583 ( -5.256 9.903 0.000) 11.211 1.694 ( -2.526 -1.594 0.000) 2.986 1.729 ( -5.403 11.252 0.000) 12.482 1.793 ( -4.405 12.369 0.000) 13.130 1.833 ( -0.614 6.472 0.000) 6.501 1.915 ( -6.448 2.730 0.000) 7.002 1.985 ( -13.507 -9.169 0.000) 16.325 2.035 ( 5.164 6.008 0.000) 7.923 2.162 ( -0.588 3.350 0.000) 3.401 2.172 ( -1.435 -2.535 0.000) 2.913 2.289 ( -1.237 2.990 0.000) 3.236 2.317 ( -0.016 11.205 0.000) 11.205 2.393 ( -4.495 -1.358 0.000) 4.695 2.495 ( 4.815 10.844 0.000) 11.865 2.538 ( 6.585 7.318 0.000) 9.844 2.539 ( 3.879 -5.662 0.000) 6.863 2.559 ( 4.145 0.235 0.000) 4.152 2.609 ( 4.852 5.898 0.000) 7.638 2.652 ( 1.814 1.926 0.000) 2.646 2.716 ( -0.583 1.062 0.000) 1.212 2.825 ( 9.182 -5.888 0.000) 10.907 2.874 ( 6.110 6.563 0.000) 8.967 2.972 ( 6.239 -6.887 0.000) 9.293 2.981 ( 5.396 12.676 0.000) 13.777 3.024 ( 1.309 2.953 0.000) 3.230 3.025 ( 1.879 -1.172 0.000) 2.214 3.181 ( 0.088 -3.570 0.000) 3.571 3.421 ( 0.227 7.619 0.000) 7.622 3.496 ( -0.564 9.332 0.000) 9.349 3.549 ( -1.038 9.835 0.000) 9.889 3.588 ( -0.028 11.969 0.000) 11.969 3.814 ( 1.609 -2.875 0.000) 3.295 3.871 ( -1.399 -3.349 0.000) 3.629 3.884 ( 0.444 -1.998 0.000) 2.047 3.891 ( 0.499 -1.572 0.000) 1.649 4.144 ( 2.878 -0.114 0.000) 2.881 4.187 ( -1.061 -4.925 0.000) 5.038 4.199 ( -1.292 -1.813 0.000) 2.226 4.233 ( 0.856 1.507 0.000) 1.733 4.235 ( -1.610 1.342 0.000) 2.096 4.279 ( 0.128 0.184 0.000) 0.224 4.281 ( -2.036 4.366 0.000) 4.817 4.298 ( -0.901 4.322 0.000) 4.414 4.381 ( 1.019 3.821 0.000) 3.955 4.434 ( -0.863 2.648 0.000) 2.785 4.446 ( -1.154 2.608 0.000) 2.852 4.453 ( 0.204 1.224 0.000) 1.241 4.561 ( 1.146 0.944 0.000) 1.485 4.596 ( 1.856 0.803 0.000) 2.022 4.611 ( 1.008 6.152 0.000) 6.234 4.635 ( 0.735 4.876 0.000) 4.931 4.998 ( 1.136 5.306 0.000) 5.426 4.998 ( -0.599 5.383 0.000) 5.416 5.032 ( -0.553 1.430 0.000) 1.533 5.105 ( -0.131 0.805 0.000) 0.815 7.437 ( 0.817 -16.835 0.000) 16.855 7.454 ( 0.445 -15.243 0.000) 15.250 7.472 ( -0.027 -17.323 0.000) 17.323 7.533 ( -0.528 -18.810 0.000) 18.817 7.822 ( 2.882 1.834 0.000) 3.416 7.896 ( 2.268 -0.387 0.000) 2.300 7.990 ( 0.734 -3.285 0.000) 3.366 8.048 ( -0.092 -7.086 0.000) 7.086 8.129 ( -0.218 -6.315 0.000) 6.318 8.137 ( -0.375 -8.656 0.000) 8.664 8.158 ( 0.154 -7.892 0.000) 7.894 8.199 ( -0.304 -8.680 0.000) 8.685 ======================= Grid point 23 (15/56) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -2.175 15.641 0.000) 15.792 1.208 ( 6.696 12.582 0.000) 14.253 1.311 ( -6.321 2.388 0.000) 6.757 1.426 ( -3.859 8.420 0.000) 9.262 1.459 ( 2.678 10.841 0.000) 11.167 1.535 ( -1.235 10.766 0.000) 10.836 1.603 ( -6.828 12.742 0.000) 14.457 1.658 ( -1.849 -3.125 0.000) 3.631 1.728 ( -9.112 2.626 0.000) 9.483 1.749 ( -0.223 6.494 0.000) 6.498 1.802 ( -2.836 3.148 0.000) 4.237 1.826 ( -4.114 1.469 0.000) 4.368 2.116 ( 2.799 2.872 0.000) 4.010 2.155 ( -0.954 -0.353 0.000) 1.017 2.160 ( 1.015 2.622 0.000) 2.811 2.264 ( -2.046 2.587 0.000) 3.299 2.318 ( 0.178 9.748 0.000) 9.750 2.332 ( -1.600 3.796 0.000) 4.119 2.550 ( 2.162 1.457 0.000) 2.607 2.571 ( 0.613 -2.616 0.000) 2.687 2.624 ( 2.682 3.178 0.000) 4.158 2.636 ( 1.674 4.326 0.000) 4.639 2.697 ( 3.279 2.960 0.000) 4.417 2.713 ( 1.898 2.928 0.000) 3.489 2.771 ( 8.211 5.041 0.000) 9.635 2.952 ( 2.152 -4.889 0.000) 5.341 3.000 ( 6.680 6.483 0.000) 9.308 3.033 ( 1.382 2.596 0.000) 2.941 3.041 ( 1.863 -1.497 0.000) 2.390 3.105 ( 3.877 -2.076 0.000) 4.398 3.124 ( 7.175 10.980 0.000) 13.117 3.202 ( 2.601 -0.695 0.000) 2.693 3.428 ( 0.684 7.133 0.000) 7.165 3.484 ( -0.222 8.140 0.000) 8.143 3.512 ( -2.862 6.318 0.000) 6.936 3.573 ( -1.933 10.023 0.000) 10.208 3.836 ( 0.655 -3.497 0.000) 3.558 3.871 ( 1.712 -1.366 0.000) 2.190 3.882 ( -0.530 -1.179 0.000) 1.292 3.906 ( 0.507 -1.871 0.000) 1.938 4.151 ( -1.925 -3.132 0.000) 3.676 4.157 ( -2.609 0.999 0.000) 2.794 4.178 ( 0.044 -4.150 0.000) 4.150 4.192 ( -2.163 1.517 0.000) 2.642 4.258 ( -0.249 2.467 0.000) 2.479 4.259 ( 0.985 1.586 0.000) 1.867 4.289 ( 1.273 0.841 0.000) 1.526 4.296 ( 0.465 2.220 0.000) 2.268 4.400 ( 0.855 2.836 0.000) 2.962 4.416 ( -0.520 3.685 0.000) 3.722 4.436 ( 0.021 3.249 0.000) 3.249 4.457 ( 0.014 0.999 0.000) 0.999 4.590 ( 1.774 0.894 0.000) 1.986 4.626 ( 1.213 1.562 0.000) 1.978 4.627 ( 0.565 4.508 0.000) 4.543 4.642 ( -0.080 3.331 0.000) 3.332 4.989 ( -0.206 4.584 0.000) 4.588 5.009 ( -0.667 1.714 0.000) 1.839 5.036 ( 1.555 4.404 0.000) 4.670 5.095 ( -0.946 1.684 0.000) 1.932 7.452 ( 0.578 -17.906 0.000) 17.915 7.459 ( 0.073 -17.284 0.000) 17.284 7.478 ( 0.805 -16.134 0.000) 16.154 7.520 ( -0.876 -17.070 0.000) 17.092 7.895 ( 4.520 -0.472 0.000) 4.544 7.948 ( 2.992 -1.904 0.000) 3.546 7.999 ( -0.103 -3.446 0.000) 3.448 8.037 ( -1.256 -5.877 0.000) 6.010 8.125 ( -0.145 -6.968 0.000) 6.969 8.130 ( -0.364 -8.329 0.000) 8.337 8.161 ( 0.359 -8.210 0.000) 8.218 8.190 ( -0.724 -8.218 0.000) 8.250 ======================= Grid point 24 (16/56) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -4.311 8.495 0.000) 9.526 1.195 ( 4.311 8.495 0.000) 9.526 1.343 ( -6.398 7.631 0.000) 9.958 1.343 ( 6.398 7.631 0.000) 9.958 1.499 ( -1.606 13.008 0.000) 13.107 1.499 ( 1.606 13.008 0.000) 13.107 1.556 ( -2.764 5.490 0.000) 6.147 1.556 ( 2.765 5.490 0.000) 6.147 1.733 ( -3.615 3.330 0.000) 4.915 1.733 ( 3.615 3.330 0.000) 4.915 1.771 ( -1.867 3.247 0.000) 3.745 1.771 ( 1.867 3.247 0.000) 3.745 2.138 ( -0.692 0.819 0.000) 1.072 2.138 ( 0.692 0.819 0.000) 1.072 2.210 ( -3.314 1.686 0.000) 3.719 2.210 ( 3.314 1.686 0.000) 3.719 2.321 ( -0.154 8.435 0.000) 8.436 2.321 ( 0.154 8.435 0.000) 8.436 2.574 ( -0.394 -1.792 0.000) 1.835 2.574 ( 0.394 -1.792 0.000) 1.835 2.650 ( -0.147 4.208 0.000) 4.211 2.650 ( 0.147 4.208 0.000) 4.211 2.728 ( -0.214 1.153 0.000) 1.172 2.728 ( 0.214 1.153 0.000) 1.172 2.911 ( -5.485 1.364 0.000) 5.652 2.911 ( 5.485 1.364 0.000) 5.652 3.052 ( -0.601 0.332 0.000) 0.687 3.052 ( 0.601 0.332 0.000) 0.687 3.106 ( -3.538 4.851 0.000) 6.004 3.106 ( 3.538 4.851 0.000) 6.004 3.225 ( -2.260 6.116 0.000) 6.520 3.225 ( 2.260 6.116 0.000) 6.520 3.454 ( -2.552 4.993 0.000) 5.608 3.454 ( 2.552 4.993 0.000) 5.608 3.516 ( -3.429 6.720 0.000) 7.544 3.516 ( 3.429 6.720 0.000) 7.544 3.860 ( -1.654 -1.294 0.000) 2.100 3.860 ( 1.654 -1.294 0.000) 2.100 3.901 ( -1.020 -1.357 0.000) 1.698 3.901 ( 1.020 -1.357 0.000) 1.698 4.128 ( -0.035 -0.731 0.000) 0.732 4.128 ( 0.035 -0.731 0.000) 0.732 4.173 ( -0.027 -2.229 0.000) 2.229 4.173 ( 0.027 -2.229 0.000) 2.229 4.261 ( -0.292 1.995 0.000) 2.016 4.261 ( 0.293 1.995 0.000) 2.016 4.304 ( -0.068 1.408 0.000) 1.410 4.304 ( 0.068 1.408 0.000) 1.410 4.411 ( -0.381 2.583 0.000) 2.611 4.411 ( 0.381 2.583 0.000) 2.611 4.447 ( -0.957 2.536 0.000) 2.710 4.447 ( 0.957 2.536 0.000) 2.710 4.621 ( -1.293 1.973 0.000) 2.359 4.621 ( 1.293 1.973 0.000) 2.359 4.639 ( -0.211 2.730 0.000) 2.738 4.639 ( 0.211 2.730 0.000) 2.738 4.994 ( -0.647 2.954 0.000) 3.024 4.994 ( 0.647 2.954 0.000) 3.024 5.070 ( -1.735 3.069 0.000) 3.526 5.070 ( 1.735 3.069 0.000) 3.526 7.458 ( -0.145 -18.233 0.000) 18.234 7.458 ( 0.145 -18.233 0.000) 18.234 7.500 ( -1.269 -15.934 0.000) 15.984 7.500 ( 1.269 -15.934 0.000) 15.984 7.972 ( -3.073 -2.849 0.000) 4.191 7.972 ( 3.073 -2.849 0.000) 4.191 8.000 ( -2.447 -3.886 0.000) 4.592 8.000 ( 2.447 -3.886 0.000) 4.592 8.125 ( -0.139 -7.717 0.000) 7.718 8.125 ( 0.139 -7.717 0.000) 7.718 8.174 ( -0.882 -8.111 0.000) 8.158 8.174 ( 0.882 -8.111 0.000) 8.158 ======================= Grid point 28 (17/56) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 0.000 9.462 0.000) 9.462 1.489 ( 0.000 6.170 0.000) 6.170 1.520 ( 0.000 4.538 0.000) 4.538 1.551 ( 0.000 8.264 0.000) 8.264 1.631 ( 0.000 4.709 0.000) 4.709 1.681 ( 0.000 -2.777 0.000) 2.777 1.791 ( 0.000 7.850 0.000) 7.850 1.887 ( 0.000 4.205 0.000) 4.205 1.888 ( 0.000 -13.108 0.000) 13.108 2.006 ( 0.000 0.538 0.000) 0.538 2.048 ( 0.000 -3.513 0.000) 3.513 2.075 ( 0.000 7.541 0.000) 7.541 2.159 ( 0.000 1.718 0.000) 1.718 2.183 ( 0.000 -7.432 0.000) 7.432 2.194 ( 0.000 15.478 0.000) 15.478 2.243 ( 0.000 8.817 0.000) 8.817 2.266 ( 0.000 -4.981 0.000) 4.981 2.384 ( 0.000 -4.307 0.000) 4.307 2.528 ( 0.000 2.162 0.000) 2.162 2.532 ( 0.000 1.069 0.000) 1.069 2.593 ( 0.000 -0.716 0.000) 0.716 2.660 ( 0.000 3.261 0.000) 3.261 2.679 ( 0.000 11.755 0.000) 11.755 2.680 ( 0.000 11.388 0.000) 11.388 2.752 ( 0.000 0.079 0.000) 0.079 2.783 ( 0.000 5.285 0.000) 5.285 2.792 ( 0.000 -3.867 0.000) 3.867 2.934 ( 0.000 6.305 0.000) 6.305 2.940 ( 0.000 -4.853 0.000) 4.853 3.053 ( 0.000 -7.969 0.000) 7.969 3.091 ( 0.000 7.781 0.000) 7.781 3.219 ( 0.000 14.459 0.000) 14.459 3.468 ( 0.000 -1.699 0.000) 1.699 3.547 ( 0.000 -5.256 0.000) 5.256 3.601 ( 0.000 -5.569 0.000) 5.569 3.649 ( 0.000 -4.301 0.000) 4.301 3.744 ( 0.000 -2.793 0.000) 2.793 3.798 ( 0.000 -5.712 0.000) 5.712 3.833 ( 0.000 -1.969 0.000) 1.969 3.864 ( 0.000 -0.246 0.000) 0.246 4.108 ( 0.000 -3.249 0.000) 3.249 4.123 ( 0.000 -0.785 0.000) 0.785 4.129 ( 0.000 -3.788 0.000) 3.788 4.203 ( 0.000 -3.780 0.000) 3.780 4.274 ( 0.000 2.802 0.000) 2.802 4.293 ( 0.000 0.997 0.000) 0.997 4.372 ( 0.000 2.186 0.000) 2.186 4.397 ( 0.000 2.999 0.000) 2.999 4.440 ( 0.000 -1.947 0.000) 1.947 4.469 ( 0.000 4.582 0.000) 4.582 4.481 ( 0.000 -1.255 0.000) 1.255 4.507 ( 0.000 3.207 0.000) 3.207 4.570 ( 0.000 0.938 0.000) 0.938 4.602 ( 0.000 3.172 0.000) 3.172 4.732 ( 0.000 4.811 0.000) 4.811 4.745 ( 0.000 5.980 0.000) 5.980 5.196 ( 0.000 16.217 0.000) 16.217 5.235 ( 0.000 18.833 0.000) 18.833 5.244 ( 0.000 18.260 0.000) 18.260 5.268 ( 0.000 16.298 0.000) 16.298 7.112 ( 0.000 -16.022 0.000) 16.022 7.139 ( 0.000 -16.804 0.000) 16.804 7.151 ( 0.000 -16.375 0.000) 16.375 7.153 ( 0.000 -20.010 0.000) 20.010 7.850 ( 0.000 2.191 0.000) 2.191 7.873 ( 0.000 -9.812 0.000) 9.812 7.882 ( 0.000 0.562 0.000) 0.562 7.907 ( 0.000 -6.608 0.000) 6.608 7.970 ( 0.000 -6.180 0.000) 6.180 8.011 ( 0.000 -5.555 0.000) 5.555 8.034 ( 0.000 -4.967 0.000) 4.967 8.035 ( 0.000 -7.697 0.000) 7.697 ======================= Grid point 29 (18/56) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 1.986 8.319 0.000) 8.553 1.463 ( -3.755 4.832 0.000) 6.119 1.477 ( -1.266 7.251 0.000) 7.361 1.594 ( 1.970 6.879 0.000) 7.155 1.610 ( -2.178 3.971 0.000) 4.529 1.651 ( -1.793 -2.322 0.000) 2.934 1.781 ( -1.192 9.577 0.000) 9.651 1.846 ( -2.607 -4.584 0.000) 5.274 1.850 ( -3.893 5.320 0.000) 6.592 1.945 ( -6.075 0.856 0.000) 6.135 1.980 ( -1.584 4.508 0.000) 4.778 2.057 ( -3.544 8.941 0.000) 9.617 2.158 ( -0.097 0.797 0.000) 0.803 2.185 ( -3.473 10.671 0.000) 11.222 2.200 ( -0.414 7.995 0.000) 8.006 2.282 ( 0.200 -3.525 0.000) 3.530 2.306 ( 7.531 -5.437 0.000) 9.288 2.446 ( 5.674 -4.234 0.000) 7.079 2.507 ( -0.861 5.739 0.000) 5.804 2.542 ( 1.272 -1.443 0.000) 1.923 2.564 ( -2.776 0.571 0.000) 2.835 2.651 ( 2.135 2.943 0.000) 3.636 2.711 ( 4.876 2.102 0.000) 5.310 2.721 ( -1.995 -0.450 0.000) 2.045 2.786 ( 1.280 0.744 0.000) 1.480 2.807 ( 5.917 9.385 0.000) 11.095 2.855 ( 5.473 -2.760 0.000) 6.129 2.972 ( 3.185 -4.354 0.000) 5.395 2.990 ( 4.371 3.698 0.000) 5.725 3.068 ( 1.744 -7.027 0.000) 7.240 3.110 ( 2.243 9.593 0.000) 9.852 3.250 ( 2.936 12.211 0.000) 12.559 3.468 ( 0.019 -1.822 0.000) 1.822 3.543 ( -0.422 -4.751 0.000) 4.770 3.563 ( -3.689 -6.533 0.000) 7.502 3.648 ( -1.143 -5.286 0.000) 5.408 3.755 ( 1.162 -2.689 0.000) 2.929 3.799 ( 0.824 -4.120 0.000) 4.201 3.839 ( 0.592 -2.124 0.000) 2.205 3.864 ( 0.002 -0.589 0.000) 0.589 4.104 ( -0.426 -3.061 0.000) 3.091 4.121 ( -0.362 -1.762 0.000) 1.799 4.130 ( -0.019 -3.691 0.000) 3.691 4.200 ( -0.456 -3.414 0.000) 3.445 4.285 ( 1.140 2.718 0.000) 2.947 4.298 ( 0.510 1.143 0.000) 1.251 4.358 ( -1.263 2.892 0.000) 3.156 4.389 ( -0.981 3.478 0.000) 3.614 4.454 ( 1.316 -0.614 0.000) 1.452 4.465 ( -0.244 4.224 0.000) 4.231 4.481 ( 0.051 0.232 0.000) 0.238 4.502 ( -0.329 3.185 0.000) 3.202 4.579 ( 0.963 0.509 0.000) 1.090 4.612 ( 0.961 2.045 0.000) 2.259 4.723 ( -0.902 4.019 0.000) 4.119 4.736 ( -0.984 4.878 0.000) 4.977 5.195 ( -0.131 16.738 0.000) 16.739 5.235 ( -0.778 18.325 0.000) 18.342 5.241 ( 0.623 18.390 0.000) 18.400 5.273 ( 0.357 16.359 0.000) 16.363 7.111 ( -0.153 -16.715 0.000) 16.716 7.126 ( -1.232 -18.444 0.000) 18.485 7.146 ( 0.748 -16.417 0.000) 16.434 7.177 ( 1.110 -17.850 0.000) 17.884 7.858 ( 0.917 1.198 0.000) 1.509 7.883 ( 1.051 -9.251 0.000) 9.311 7.893 ( 1.033 -0.055 0.000) 1.035 7.914 ( 0.658 -6.462 0.000) 6.496 7.969 ( -0.020 -6.220 0.000) 6.220 8.003 ( -0.735 -5.857 0.000) 5.903 8.028 ( -0.605 -5.190 0.000) 5.225 8.036 ( 0.008 -7.553 0.000) 7.553 ======================= Grid point 30 (19/56) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 0.266 5.221 0.000) 5.227 1.423 ( 1.071 8.344 0.000) 8.412 1.439 ( -2.732 10.025 0.000) 10.390 1.553 ( -3.710 4.386 0.000) 5.744 1.601 ( 0.975 1.466 0.000) 1.761 1.669 ( 2.204 7.241 0.000) 7.569 1.744 ( -2.459 11.528 0.000) 11.788 1.760 ( -5.266 4.329 0.000) 6.817 1.822 ( 0.226 4.636 0.000) 4.642 1.879 ( -0.842 5.220 0.000) 5.287 1.942 ( -3.806 10.229 0.000) 10.914 1.960 ( -4.580 13.074 0.000) 13.853 2.115 ( -2.109 -1.243 0.000) 2.448 2.140 ( -1.498 -0.671 0.000) 1.641 2.219 ( 1.148 5.705 0.000) 5.820 2.265 ( -1.393 -0.105 0.000) 1.397 2.427 ( 4.849 2.492 0.000) 5.452 2.502 ( -0.064 8.249 0.000) 8.250 2.514 ( 1.337 -3.207 0.000) 3.475 2.534 ( -0.708 -2.250 0.000) 2.359 2.594 ( 3.595 -4.280 0.000) 5.590 2.675 ( -0.664 -1.347 0.000) 1.502 2.710 ( 1.787 -0.995 0.000) 2.045 2.787 ( 0.283 2.676 0.000) 2.691 2.831 ( 4.956 -4.801 0.000) 6.900 2.889 ( 2.702 4.350 0.000) 5.121 2.987 ( 7.233 -4.333 0.000) 8.432 3.047 ( 4.859 -3.490 0.000) 5.983 3.049 ( 1.688 0.570 0.000) 1.782 3.127 ( 4.602 -5.421 0.000) 7.111 3.168 ( 2.646 8.371 0.000) 8.779 3.300 ( 0.872 5.613 0.000) 5.681 3.470 ( 0.212 -1.929 0.000) 1.941 3.481 ( -3.804 -6.970 0.000) 7.941 3.529 ( -1.058 -3.493 0.000) 3.649 3.590 ( -4.407 -6.403 0.000) 7.773 3.793 ( 2.790 -1.216 0.000) 3.044 3.834 ( 2.178 -2.986 0.000) 3.696 3.851 ( 0.527 -2.111 0.000) 2.175 3.863 ( -0.236 -1.633 0.000) 1.650 4.095 ( -0.239 -2.390 0.000) 2.402 4.115 ( 0.050 -2.089 0.000) 2.089 4.124 ( -0.730 -3.091 0.000) 3.176 4.177 ( -2.052 -1.907 0.000) 2.801 4.307 ( 1.055 2.693 0.000) 2.892 4.315 ( 1.202 1.319 0.000) 1.784 4.336 ( -0.792 3.248 0.000) 3.344 4.360 ( -1.808 3.991 0.000) 4.382 4.465 ( 0.223 3.459 0.000) 3.466 4.472 ( 0.153 2.040 0.000) 2.046 4.490 ( 0.941 1.908 0.000) 2.127 4.499 ( 0.039 2.895 0.000) 2.895 4.608 ( 2.148 0.266 0.000) 2.165 4.636 ( 1.521 0.242 0.000) 1.540 4.699 ( -1.695 2.135 0.000) 2.726 4.707 ( -2.091 2.706 0.000) 3.420 5.194 ( 0.190 17.686 0.000) 17.687 5.218 ( -0.907 18.529 0.000) 18.551 5.255 ( 0.849 17.611 0.000) 17.631 5.277 ( -0.079 16.486 0.000) 16.486 7.106 ( -0.319 -17.661 0.000) 17.664 7.108 ( -0.651 -18.541 0.000) 18.553 7.166 ( 1.200 -16.310 0.000) 16.354 7.190 ( 0.241 -17.344 0.000) 17.346 7.882 ( 1.484 -1.278 0.000) 1.959 7.904 ( 0.837 -7.473 0.000) 7.520 7.915 ( 1.096 -1.685 0.000) 2.010 7.927 ( 0.608 -5.596 0.000) 5.629 7.971 ( 0.194 -6.408 0.000) 6.411 7.988 ( -0.786 -6.236 0.000) 6.285 8.015 ( -0.530 -5.887 0.000) 5.911 8.031 ( -0.585 -7.509 0.000) 7.531 ======================= Grid point 31 (20/56) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -2.055 9.754 0.000) 9.969 1.388 ( 2.055 9.754 0.000) 9.969 1.479 ( -3.885 6.811 0.000) 7.841 1.479 ( 3.885 6.811 0.000) 7.841 1.660 ( -4.867 4.577 0.000) 6.681 1.660 ( 4.867 4.577 0.000) 6.681 1.704 ( -1.742 8.223 0.000) 8.406 1.704 ( 1.742 8.223 0.000) 8.406 1.858 ( -3.537 7.324 0.000) 8.133 1.858 ( 3.536 7.324 0.000) 8.133 1.900 ( -2.559 12.384 0.000) 12.646 1.900 ( 2.559 12.384 0.000) 12.645 2.112 ( -1.175 -2.909 0.000) 3.138 2.112 ( 1.175 -2.909 0.000) 3.138 2.240 ( -1.215 2.522 0.000) 2.799 2.240 ( 1.215 2.522 0.000) 2.799 2.488 ( -1.817 7.361 0.000) 7.582 2.488 ( 1.817 7.361 0.000) 7.582 2.526 ( -0.320 -3.063 0.000) 3.079 2.526 ( 0.320 -3.063 0.000) 3.079 2.647 ( -2.069 -3.536 0.000) 4.096 2.647 ( 2.069 -3.536 0.000) 4.096 2.757 ( -2.590 -0.552 0.000) 2.648 2.757 ( 2.590 -0.552 0.000) 2.648 2.902 ( -1.565 -0.715 0.000) 1.721 2.902 ( 1.565 -0.715 0.000) 1.721 3.057 ( -1.005 -0.355 0.000) 1.066 3.057 ( 1.005 -0.355 0.000) 1.066 3.158 ( -4.372 -0.058 0.000) 4.372 3.158 ( 4.372 -0.058 0.000) 4.372 3.235 ( -6.396 -4.838 0.000) 8.020 3.235 ( 6.396 -4.838 0.000) 8.020 3.467 ( -0.960 -2.030 0.000) 2.246 3.467 ( 0.960 -2.030 0.000) 2.246 3.523 ( -1.605 -4.011 0.000) 4.320 3.523 ( 1.605 -4.011 0.000) 4.320 3.841 ( -1.875 -1.175 0.000) 2.212 3.841 ( 1.875 -1.175 0.000) 2.212 3.859 ( -0.359 -2.939 0.000) 2.961 3.859 ( 0.359 -2.940 0.000) 2.961 4.104 ( -1.103 -1.976 0.000) 2.263 4.104 ( 1.103 -1.976 0.000) 2.263 4.133 ( -2.017 -1.213 0.000) 2.354 4.133 ( 2.017 -1.213 0.000) 2.354 4.326 ( -0.763 3.721 0.000) 3.798 4.326 ( 0.763 3.721 0.000) 3.798 4.332 ( -0.915 1.567 0.000) 1.815 4.332 ( 0.915 1.567 0.000) 1.815 4.470 ( -0.209 3.082 0.000) 3.089 4.470 ( 0.209 3.082 0.000) 3.089 4.501 ( -0.112 2.709 0.000) 2.712 4.501 ( 0.112 2.709 0.000) 2.712 4.656 ( -2.750 1.028 0.000) 2.935 4.656 ( 2.750 1.028 0.000) 2.935 4.668 ( -1.901 0.276 0.000) 1.921 4.668 ( 1.901 0.276 0.000) 1.921 5.203 ( -0.679 18.387 0.000) 18.400 5.203 ( 0.679 18.387 0.000) 18.400 5.270 ( -0.618 16.916 0.000) 16.928 5.270 ( 0.618 16.916 0.000) 16.928 7.102 ( -0.004 -18.270 0.000) 18.270 7.102 ( 0.004 -18.270 0.000) 18.270 7.185 ( -0.760 -16.767 0.000) 16.784 7.185 ( 0.760 -16.767 0.000) 16.784 7.906 ( -0.745 -4.474 0.000) 4.536 7.906 ( 0.745 -4.474 0.000) 4.536 7.930 ( -0.410 -3.647 0.000) 3.670 7.930 ( 0.410 -3.647 0.000) 3.670 7.976 ( -0.433 -6.438 0.000) 6.453 7.976 ( 0.433 -6.438 0.000) 6.453 8.017 ( -0.703 -7.154 0.000) 7.188 8.017 ( 0.703 -7.154 0.000) 7.188 ======================= Grid point 35 (21/56) ======================= q-point: ( 0.00 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 0.000 4.781 0.000) 4.781 1.552 ( 0.000 -1.767 0.000) 1.767 1.569 ( 0.000 2.985 0.000) 2.985 1.597 ( 0.000 -3.977 0.000) 3.977 1.638 ( 0.000 -10.260 0.000) 10.260 1.664 ( 0.000 -0.728 0.000) 0.728 1.696 ( 0.000 6.259 0.000) 6.259 1.893 ( 0.000 1.491 0.000) 1.491 1.931 ( 0.000 -0.034 0.000) 0.034 1.945 ( 0.000 -7.161 0.000) 7.161 2.098 ( 0.000 9.500 0.000) 9.500 2.102 ( 0.000 -0.387 0.000) 0.387 2.173 ( 0.000 5.266 0.000) 5.266 2.228 ( 0.000 0.085 0.000) 0.085 2.278 ( 0.000 5.587 0.000) 5.587 2.315 ( 0.000 1.809 0.000) 1.809 2.382 ( 0.000 2.426 0.000) 2.426 2.479 ( 0.000 10.203 0.000) 10.203 2.508 ( 0.000 -2.099 0.000) 2.099 2.532 ( 0.000 -1.931 0.000) 1.931 2.611 ( 0.000 4.673 0.000) 4.673 2.651 ( 0.000 -5.059 0.000) 5.059 2.740 ( 0.000 -0.086 0.000) 0.086 2.766 ( 0.000 1.527 0.000) 1.527 2.784 ( 0.000 0.331 0.000) 0.331 2.831 ( 0.000 -1.089 0.000) 1.089 2.852 ( 0.000 -3.245 0.000) 3.245 2.895 ( 0.000 8.856 0.000) 8.856 2.941 ( 0.000 -2.533 0.000) 2.533 2.988 ( 0.000 0.137 0.000) 0.137 3.323 ( 0.000 12.422 0.000) 12.422 3.371 ( 0.000 -3.995 0.000) 3.995 3.382 ( 0.000 -8.285 0.000) 8.285 3.396 ( 0.000 -4.759 0.000) 4.759 3.495 ( 0.000 -9.278 0.000) 9.278 3.512 ( 0.000 3.046 0.000) 3.046 3.697 ( 0.000 -1.798 0.000) 1.798 3.705 ( 0.000 -3.051 0.000) 3.051 3.817 ( 0.000 0.332 0.000) 0.332 3.866 ( 0.000 -0.498 0.000) 0.498 4.074 ( 0.000 -0.518 0.000) 0.518 4.080 ( 0.000 -1.071 0.000) 1.071 4.096 ( 0.000 -1.496 0.000) 1.496 4.129 ( 0.000 -3.273 0.000) 3.273 4.304 ( 0.000 0.397 0.000) 0.397 4.314 ( 0.000 1.647 0.000) 1.647 4.392 ( 0.000 -2.514 0.000) 2.514 4.406 ( 0.000 1.395 0.000) 1.395 4.418 ( 0.000 -4.503 0.000) 4.503 4.429 ( 0.000 0.570 0.000) 0.570 4.538 ( 0.000 2.487 0.000) 2.487 4.555 ( 0.000 1.569 0.000) 1.569 4.610 ( 0.000 2.412 0.000) 2.412 4.648 ( 0.000 1.182 0.000) 1.182 4.804 ( 0.000 2.638 0.000) 2.638 4.817 ( 0.000 2.048 0.000) 2.048 5.586 ( 0.000 20.782 0.000) 20.782 5.631 ( 0.000 19.548 0.000) 19.548 5.639 ( 0.000 20.449 0.000) 20.449 5.657 ( 0.000 20.947 0.000) 20.947 6.778 ( 0.000 -17.920 0.000) 17.920 6.811 ( 0.000 -14.570 0.000) 14.570 6.820 ( 0.000 -17.322 0.000) 17.322 6.827 ( 0.000 -15.017 0.000) 15.017 7.708 ( 0.000 -6.248 0.000) 6.248 7.743 ( 0.000 -7.649 0.000) 7.649 7.848 ( 0.000 -1.972 0.000) 1.972 7.869 ( 0.000 -2.753 0.000) 2.753 7.919 ( 0.000 -0.905 0.000) 0.905 7.942 ( 0.000 -0.933 0.000) 0.933 7.953 ( 0.000 -0.523 0.000) 0.523 7.958 ( 0.000 -2.923 0.000) 2.923 ======================= Grid point 36 (22/56) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 0.082 3.842 0.000) 3.843 1.550 ( -0.380 3.143 0.000) 3.166 1.561 ( -0.706 2.754 0.000) 2.843 1.585 ( 1.753 -0.617 0.000) 1.859 1.647 ( -1.744 -0.351 0.000) 1.779 1.725 ( 4.528 -2.558 0.000) 5.200 1.743 ( 6.063 0.219 0.000) 6.067 1.865 ( -1.965 2.204 0.000) 2.953 1.950 ( 0.073 -1.571 0.000) 1.572 1.959 ( 1.780 -2.234 0.000) 2.856 2.074 ( -1.862 12.654 0.000) 12.790 2.140 ( 4.092 -2.825 0.000) 4.973 2.176 ( -0.477 5.596 0.000) 5.616 2.238 ( -1.726 2.005 0.000) 2.645 2.300 ( 5.934 -1.563 0.000) 6.136 2.359 ( 3.144 1.794 0.000) 3.619 2.375 ( -0.864 2.872 0.000) 3.000 2.424 ( -5.512 11.580 0.000) 12.825 2.498 ( -1.764 -3.288 0.000) 3.731 2.529 ( 1.742 -0.706 0.000) 1.879 2.584 ( -3.043 3.085 0.000) 4.334 2.702 ( -5.297 0.600 0.000) 5.331 2.707 ( -2.659 -0.425 0.000) 2.693 2.714 ( 4.200 -5.432 0.000) 6.867 2.768 ( 0.760 2.486 0.000) 2.599 2.853 ( 2.285 -0.975 0.000) 2.484 2.889 ( 3.651 -2.648 0.000) 4.510 2.938 ( 2.292 5.442 0.000) 5.905 2.966 ( 2.708 -3.271 0.000) 4.246 3.011 ( 1.831 -0.640 0.000) 1.940 3.312 ( -1.963 3.589 0.000) 4.091 3.377 ( 0.838 0.359 0.000) 0.912 3.382 ( 0.149 -6.817 0.000) 6.818 3.404 ( 0.714 -5.558 0.000) 5.604 3.423 ( -6.452 -5.177 0.000) 8.272 3.508 ( -1.185 -2.187 0.000) 2.487 3.718 ( 2.193 -1.354 0.000) 2.577 3.728 ( 2.212 -2.755 0.000) 3.533 3.819 ( 0.192 0.099 0.000) 0.216 3.862 ( -0.421 -0.504 0.000) 0.656 4.073 ( -0.240 -0.312 0.000) 0.394 4.081 ( 0.070 -1.032 0.000) 1.035 4.092 ( -0.147 -1.002 0.000) 1.013 4.131 ( 0.204 -3.124 0.000) 3.130 4.312 ( 0.882 0.787 0.000) 1.182 4.329 ( 1.408 2.049 0.000) 2.486 4.401 ( -0.559 1.630 0.000) 1.724 4.427 ( -0.324 0.650 0.000) 0.727 4.427 ( 3.276 -1.920 0.000) 3.797 4.443 ( 2.569 -3.562 0.000) 4.392 4.534 ( -0.302 2.757 0.000) 2.774 4.554 ( -0.068 1.798 0.000) 1.799 4.605 ( -0.375 2.022 0.000) 2.056 4.645 ( -0.287 0.795 0.000) 0.845 4.782 ( -2.341 2.087 0.000) 3.136 4.794 ( -2.418 1.546 0.000) 2.870 5.589 ( 0.367 20.870 0.000) 20.873 5.633 ( 0.164 19.498 0.000) 19.499 5.636 ( -0.302 20.642 0.000) 20.644 5.656 ( -0.121 20.603 0.000) 20.603 6.769 ( -0.648 -17.273 0.000) 17.285 6.800 ( -0.938 -14.783 0.000) 14.813 6.831 ( 0.838 -17.773 0.000) 17.793 6.835 ( 0.578 -15.395 0.000) 15.406 7.727 ( 1.873 -5.971 0.000) 6.258 7.757 ( 1.489 -7.179 0.000) 7.332 7.845 ( -0.345 -2.147 0.000) 2.175 7.869 ( -0.063 -3.010 0.000) 3.011 7.915 ( -0.397 -1.110 0.000) 1.179 7.938 ( -0.550 -0.952 0.000) 1.099 7.945 ( -0.708 -1.134 0.000) 1.337 7.951 ( -0.723 -2.920 0.000) 3.008 ======================= Grid point 37 (23/56) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 2.367 4.953 0.000) 5.489 1.546 ( -0.811 2.581 0.000) 2.705 1.552 ( 0.535 3.675 0.000) 3.713 1.605 ( -2.502 0.667 0.000) 2.590 1.659 ( 5.502 4.609 0.000) 7.177 1.802 ( 4.764 8.432 0.000) 9.684 1.825 ( -2.431 3.970 0.000) 4.655 1.883 ( 7.278 -0.405 0.000) 7.289 1.964 ( 2.423 2.331 0.000) 3.362 1.966 ( -1.823 0.554 0.000) 1.905 2.052 ( 0.032 10.960 0.000) 10.960 2.129 ( -4.900 8.123 0.000) 9.486 2.160 ( -1.661 1.985 0.000) 2.588 2.273 ( 3.260 -0.228 0.000) 3.268 2.286 ( -8.599 11.927 0.000) 14.703 2.344 ( -2.335 5.358 0.000) 5.844 2.395 ( 4.431 -3.986 0.000) 5.960 2.438 ( 4.033 -3.248 0.000) 5.178 2.489 ( -3.460 -0.859 0.000) 3.565 2.510 ( 3.789 -3.245 0.000) 4.989 2.586 ( 0.298 -6.244 0.000) 6.251 2.630 ( -1.771 2.555 0.000) 3.108 2.668 ( -1.083 -2.239 0.000) 2.487 2.734 ( -1.063 -5.080 0.000) 5.190 2.830 ( 4.538 1.830 0.000) 4.894 2.921 ( 5.403 -2.611 0.000) 6.000 2.956 ( -0.604 3.163 0.000) 3.220 2.971 ( 4.345 -2.748 0.000) 5.141 3.038 ( 0.744 -1.719 0.000) 1.873 3.039 ( 4.780 -4.087 0.000) 6.289 3.241 ( -5.518 -5.419 0.000) 7.733 3.258 ( -9.716 -6.094 0.000) 11.469 3.392 ( 0.890 -5.200 0.000) 5.276 3.404 ( 0.958 0.597 0.000) 1.129 3.419 ( 0.850 -5.088 0.000) 5.159 3.474 ( -2.146 -2.415 0.000) 3.231 3.770 ( 2.975 -1.204 0.000) 3.209 3.777 ( 2.618 -2.325 0.000) 3.501 3.821 ( -0.053 -0.555 0.000) 0.557 3.849 ( -1.001 -0.615 0.000) 1.174 4.069 ( 0.071 -0.131 0.000) 0.149 4.081 ( -0.154 -0.844 0.000) 0.858 4.098 ( 0.752 -0.172 0.000) 0.771 4.132 ( -0.318 -2.430 0.000) 2.451 4.336 ( 1.563 1.518 0.000) 2.179 4.359 ( 1.627 2.169 0.000) 2.711 4.386 ( -0.985 2.035 0.000) 2.261 4.414 ( -1.088 1.204 0.000) 1.623 4.497 ( 3.558 0.395 0.000) 3.580 4.504 ( 3.471 -0.367 0.000) 3.491 4.532 ( 0.125 3.249 0.000) 3.252 4.554 ( 0.095 2.378 0.000) 2.380 4.603 ( 0.552 0.136 0.000) 0.569 4.639 ( -0.178 -0.381 0.000) 0.421 4.722 ( -3.726 0.438 0.000) 3.751 4.731 ( -4.166 0.176 0.000) 4.170 5.600 ( 0.689 21.046 0.000) 21.057 5.627 ( -0.600 20.964 0.000) 20.973 5.638 ( 0.343 19.424 0.000) 19.427 5.652 ( -0.299 19.960 0.000) 19.962 6.761 ( -0.169 -16.450 0.000) 16.450 6.781 ( -1.027 -15.222 0.000) 15.256 6.845 ( 0.563 -17.943 0.000) 17.952 6.845 ( 0.456 -16.392 0.000) 16.398 7.770 ( 2.408 -5.216 0.000) 5.745 7.795 ( 2.329 -6.105 0.000) 6.534 7.834 ( -0.879 -2.897 0.000) 3.027 7.862 ( -0.791 -3.836 0.000) 3.916 7.908 ( -0.249 -1.473 0.000) 1.494 7.921 ( -0.962 -1.006 0.000) 1.392 7.934 ( -0.526 -2.167 0.000) 2.230 7.935 ( -0.765 -2.780 0.000) 2.884 ======================= Grid point 38 (24/56) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -2.234 3.866 0.000) 4.466 1.521 ( 2.234 3.866 0.000) 4.466 1.566 ( -1.225 1.793 0.000) 2.172 1.566 ( 1.225 1.793 0.000) 2.172 1.763 ( -4.622 6.484 0.000) 7.962 1.763 ( 4.622 6.484 0.000) 7.962 1.897 ( -4.867 9.554 0.000) 10.722 1.897 ( 4.868 9.554 0.000) 10.722 2.007 ( -6.749 8.057 0.000) 10.510 2.007 ( 6.749 8.057 0.000) 10.510 2.044 ( -3.353 0.328 0.000) 3.369 2.044 ( 3.353 0.328 0.000) 3.369 2.151 ( -3.082 8.436 0.000) 8.981 2.151 ( 3.082 8.436 0.000) 8.981 2.309 ( -1.332 4.428 0.000) 4.624 2.309 ( 1.332 4.428 0.000) 4.624 2.446 ( -1.659 -5.581 0.000) 5.823 2.446 ( 1.659 -5.581 0.000) 5.823 2.527 ( -4.840 -5.667 0.000) 7.453 2.527 ( 4.840 -5.668 0.000) 7.453 2.592 ( -3.640 0.250 0.000) 3.648 2.592 ( 3.640 0.250 0.000) 3.648 2.696 ( -2.746 -3.466 0.000) 4.422 2.696 ( 2.746 -3.466 0.000) 4.422 2.912 ( -3.830 1.303 0.000) 4.046 2.912 ( 3.830 1.303 0.000) 4.046 3.030 ( -1.743 -2.807 0.000) 3.304 3.030 ( 1.743 -2.807 0.000) 3.304 3.065 ( -9.629 -6.404 0.000) 11.564 3.065 ( 9.629 -6.404 0.000) 11.564 3.137 ( -5.574 -4.965 0.000) 7.465 3.137 ( 5.574 -4.965 0.000) 7.465 3.408 ( -0.537 -3.077 0.000) 3.123 3.408 ( 0.536 -3.077 0.000) 3.123 3.439 ( -1.387 -3.385 0.000) 3.658 3.439 ( 1.388 -3.385 0.000) 3.658 3.811 ( -1.165 -1.503 0.000) 1.902 3.811 ( 1.165 -1.503 0.000) 1.902 3.821 ( -2.065 -0.981 0.000) 2.286 3.821 ( 2.065 -0.981 0.000) 2.286 4.075 ( -0.404 -0.363 0.000) 0.543 4.075 ( 0.404 -0.363 0.000) 0.543 4.117 ( -1.120 -0.992 0.000) 1.496 4.117 ( 1.120 -0.992 0.000) 1.496 4.364 ( -1.335 1.967 0.000) 2.378 4.364 ( 1.335 1.967 0.000) 2.378 4.388 ( -1.521 1.936 0.000) 2.462 4.388 ( 1.521 1.936 0.000) 2.462 4.534 ( -0.313 3.620 0.000) 3.634 4.534 ( 0.313 3.620 0.000) 3.634 4.550 ( -1.003 2.563 0.000) 2.752 4.550 ( 1.003 2.563 0.000) 2.752 4.648 ( -4.108 -1.556 0.000) 4.393 4.648 ( 4.108 -1.556 0.000) 4.393 4.657 ( -2.596 -1.509 0.000) 3.003 4.657 ( 2.596 -1.509 0.000) 3.003 5.614 ( -0.783 21.120 0.000) 21.134 5.614 ( 0.783 21.120 0.000) 21.134 5.645 ( -0.411 19.524 0.000) 19.529 5.645 ( 0.411 19.524 0.000) 19.529 6.765 ( -0.576 -15.779 0.000) 15.789 6.765 ( 0.576 -15.779 0.000) 15.789 6.850 ( -0.021 -17.418 0.000) 17.418 6.850 ( 0.021 -17.418 0.000) 17.418 7.810 ( -1.716 -4.095 0.000) 4.440 7.810 ( 1.716 -4.095 0.000) 4.440 7.837 ( -1.904 -4.986 0.000) 5.337 7.837 ( 1.904 -4.986 0.000) 5.337 7.908 ( -0.365 -1.439 0.000) 1.485 7.908 ( 0.365 -1.439 0.000) 1.485 7.927 ( -0.015 -2.490 0.000) 2.490 7.927 ( 0.015 -2.490 0.000) 2.490 ======================= Grid point 42 (25/56) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 0.000 -0.863 0.000) 0.863 1.497 ( 0.000 0.863 0.000) 0.863 1.560 ( 0.000 -1.302 0.000) 1.302 1.560 ( 0.000 1.302 0.000) 1.302 1.624 ( 0.000 -2.807 0.000) 2.807 1.624 ( 0.000 2.807 0.000) 2.807 1.810 ( 0.000 -6.240 0.000) 6.240 1.810 ( 0.000 6.240 0.000) 6.240 1.912 ( 0.000 -1.177 0.000) 1.177 1.912 ( 0.000 1.177 0.000) 1.177 2.148 ( 0.000 -4.416 0.000) 4.416 2.148 ( 0.000 4.416 0.000) 4.416 2.243 ( 0.000 -1.143 0.000) 1.143 2.243 ( 0.000 1.143 0.000) 1.143 2.396 ( 0.000 -3.895 0.000) 3.895 2.396 ( 0.000 3.895 0.000) 3.895 2.403 ( 0.000 -3.723 0.000) 3.723 2.403 ( 0.000 3.723 0.000) 3.723 2.501 ( 0.000 -6.385 0.000) 6.385 2.501 ( 0.000 6.385 0.000) 6.385 2.658 ( 0.000 -3.703 0.000) 3.703 2.658 ( 0.000 3.703 0.000) 3.703 2.754 ( 0.000 -1.673 0.000) 1.673 2.754 ( 0.000 1.673 0.000) 1.673 2.816 ( 0.000 -0.224 0.000) 0.224 2.816 ( 0.000 0.224 0.000) 0.224 2.859 ( 0.000 -5.839 0.000) 5.839 2.859 ( 0.000 5.839 0.000) 5.839 2.984 ( 0.000 -0.467 0.000) 0.467 2.984 ( 0.000 0.467 0.000) 0.467 3.321 ( 0.000 -1.799 0.000) 1.799 3.321 ( 0.000 1.799 0.000) 1.799 3.327 ( 0.000 -3.677 0.000) 3.677 3.327 ( 0.000 3.677 0.000) 3.677 3.522 ( 0.000 -4.650 0.000) 4.650 3.522 ( 0.000 4.650 0.000) 4.650 3.681 ( 0.000 -0.040 0.000) 0.040 3.681 ( 0.000 0.040 0.000) 0.040 3.840 ( 0.000 -1.743 0.000) 1.743 3.840 ( 0.000 1.743 0.000) 1.743 4.077 ( 0.000 -0.555 0.000) 0.555 4.077 ( 0.000 0.555 0.000) 0.555 4.085 ( 0.000 -1.337 0.000) 1.337 4.085 ( 0.000 1.337 0.000) 1.337 4.333 ( 0.000 -2.758 0.000) 2.758 4.333 ( 0.000 2.758 0.000) 2.758 4.350 ( 0.000 -1.505 0.000) 1.505 4.350 ( 0.000 1.505 0.000) 1.505 4.426 ( 0.000 -0.697 0.000) 0.697 4.426 ( 0.000 0.697 0.000) 0.697 4.566 ( 0.000 -0.426 0.000) 0.426 4.566 ( 0.000 0.426 0.000) 0.426 4.647 ( 0.000 -1.162 0.000) 1.162 4.647 ( 0.000 1.162 0.000) 1.162 4.833 ( 0.000 -0.349 0.000) 0.349 4.833 ( 0.000 0.349 0.000) 0.349 5.849 ( 0.000 -1.597 0.000) 1.597 5.849 ( 0.000 1.597 0.000) 1.597 5.907 ( 0.000 -1.406 0.000) 1.406 5.907 ( 0.000 1.406 0.000) 1.406 6.575 ( 0.000 -2.368 0.000) 2.368 6.575 ( 0.000 2.369 0.000) 2.369 6.637 ( 0.000 -0.658 0.000) 0.658 6.637 ( 0.000 0.658 0.000) 0.658 7.655 ( 0.000 -0.978 0.000) 0.978 7.655 ( 0.000 0.978 0.000) 0.978 7.828 ( 0.000 -0.566 0.000) 0.566 7.828 ( 0.000 0.566 0.000) 0.566 7.920 ( 0.000 -1.006 0.000) 1.006 7.920 ( 0.000 1.006 0.000) 1.006 7.948 ( 0.000 -0.494 0.000) 0.494 7.948 ( 0.000 0.494 0.000) 0.494 ======================= Grid point 44 (26/56) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 1.546 -5.341 0.000) 5.561 1.537 ( 1.546 5.341 0.000) 5.561 1.606 ( 6.977 -3.001 0.000) 7.595 1.606 ( 6.977 3.001 0.000) 7.595 1.612 ( -1.169 -2.593 0.000) 2.844 1.612 ( -1.169 2.593 0.000) 2.844 1.859 ( 4.744 -6.730 0.000) 8.234 1.859 ( 4.744 6.730 0.000) 8.234 1.908 ( -0.328 -2.474 0.000) 2.495 1.908 ( -0.328 2.474 0.000) 2.495 2.160 ( 1.150 -4.579 0.000) 4.721 2.160 ( 1.150 4.579 0.000) 4.721 2.253 ( 0.678 -1.037 0.000) 1.239 2.253 ( 0.678 1.037 0.000) 1.239 2.369 ( -1.416 -5.535 0.000) 5.713 2.369 ( -1.416 5.535 0.000) 5.713 2.393 ( -0.418 -5.213 0.000) 5.230 2.393 ( -0.418 5.214 0.000) 5.230 2.545 ( 2.749 -9.575 0.000) 9.962 2.545 ( 2.749 9.575 0.000) 9.962 2.646 ( -2.445 -6.280 0.000) 6.739 2.646 ( -2.445 6.280 0.000) 6.739 2.681 ( -5.661 -2.544 0.000) 6.206 2.681 ( -5.661 2.544 0.000) 6.206 2.852 ( 3.070 -1.887 0.000) 3.603 2.852 ( 3.070 1.887 0.000) 3.603 2.873 ( 1.990 -5.895 0.000) 6.222 2.873 ( 1.990 5.895 0.000) 6.222 3.000 ( 1.116 -0.505 0.000) 1.225 3.000 ( 1.116 0.505 0.000) 1.225 3.281 ( -4.899 -3.228 0.000) 5.867 3.281 ( -4.899 3.228 0.000) 5.867 3.328 ( 0.815 -1.733 0.000) 1.915 3.328 ( 0.815 1.733 0.000) 1.915 3.496 ( -2.445 -3.398 0.000) 4.187 3.496 ( -2.445 3.398 0.000) 4.187 3.702 ( 2.223 -0.090 0.000) 2.225 3.702 ( 2.223 0.090 0.000) 2.225 3.838 ( -0.220 -1.563 0.000) 1.579 3.838 ( -0.220 1.563 0.000) 1.579 4.079 ( 0.225 -0.620 0.000) 0.660 4.079 ( 0.225 0.620 0.000) 0.660 4.087 ( 0.242 -1.428 0.000) 1.448 4.087 ( 0.242 1.428 0.000) 1.448 4.346 ( 1.135 -1.977 0.000) 2.280 4.346 ( 1.135 1.977 0.000) 2.280 4.392 ( 4.267 -0.774 0.000) 4.337 4.392 ( 4.267 0.774 0.000) 4.337 4.424 ( -0.293 -0.765 0.000) 0.820 4.424 ( -0.293 0.765 0.000) 0.820 4.566 ( 0.127 -0.519 0.000) 0.535 4.566 ( 0.127 0.519 0.000) 0.535 4.640 ( -0.725 -1.221 0.000) 1.420 4.640 ( -0.725 1.221 0.000) 1.420 4.805 ( -2.949 -0.346 0.000) 2.969 4.805 ( -2.949 0.346 0.000) 2.969 5.853 ( 0.358 -1.498 0.000) 1.540 5.853 ( 0.358 1.498 0.000) 1.540 5.903 ( -0.397 -1.379 0.000) 1.435 5.903 ( -0.397 1.379 0.000) 1.435 6.578 ( 0.304 -2.841 0.000) 2.857 6.578 ( 0.303 2.841 0.000) 2.857 6.632 ( -0.590 -1.412 0.000) 1.531 6.632 ( -0.590 1.412 0.000) 1.531 7.676 ( 2.083 -0.864 0.000) 2.255 7.676 ( 2.083 0.864 0.000) 2.255 7.825 ( -0.359 -0.683 0.000) 0.771 7.825 ( -0.359 0.683 0.000) 0.771 7.913 ( -0.645 -0.944 0.000) 1.143 7.913 ( -0.645 0.944 0.000) 1.143 7.938 ( -1.007 -0.299 0.000) 1.051 7.938 ( -1.007 0.299 0.000) 1.051 ======================= Grid point 46 (27/56) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 0.634 -2.719 0.000) 2.792 1.552 ( 0.634 2.719 0.000) 2.792 1.587 ( -1.306 -1.846 0.000) 2.261 1.587 ( -1.306 1.846 0.000) 2.261 1.784 ( 9.511 -7.512 0.000) 12.120 1.784 ( 9.511 7.512 0.000) 12.120 1.903 ( -0.286 -3.973 0.000) 3.983 1.903 ( -0.286 3.973 0.000) 3.983 1.968 ( 7.067 -4.806 0.000) 8.546 1.968 ( 7.067 4.806 0.000) 8.546 2.189 ( 2.170 -4.423 0.000) 4.927 2.189 ( 2.170 4.423 0.000) 4.927 2.252 ( -1.309 -1.256 0.000) 1.814 2.252 ( -1.309 1.256 0.000) 1.814 2.360 ( -4.567 -8.085 0.000) 9.285 2.360 ( -4.567 8.085 0.000) 9.286 2.381 ( 2.357 -2.647 0.000) 3.544 2.381 ( 2.357 2.647 0.000) 3.544 2.508 ( -7.427 -3.412 0.000) 8.173 2.508 ( -7.427 3.412 0.000) 8.173 2.585 ( 1.847 -8.856 0.000) 9.047 2.585 ( 1.847 8.856 0.000) 9.047 2.646 ( -0.877 -0.508 0.000) 1.014 2.646 ( -0.877 0.508 0.000) 1.014 2.893 ( 2.333 -2.240 0.000) 3.234 2.893 ( 2.333 2.240 0.000) 3.234 2.954 ( 5.102 -2.504 0.000) 5.683 2.954 ( 5.101 2.504 0.000) 5.683 3.007 ( -0.803 -1.536 0.000) 1.733 3.007 ( -0.803 1.536 0.000) 1.733 3.156 ( -7.473 -1.304 0.000) 7.586 3.156 ( -7.473 1.304 0.000) 7.586 3.352 ( 1.718 -1.482 0.000) 2.269 3.352 ( 1.718 1.482 0.000) 2.269 3.444 ( -2.886 -1.946 0.000) 3.481 3.444 ( -2.886 1.946 0.000) 3.481 3.755 ( 3.038 -0.099 0.000) 3.039 3.755 ( 3.038 0.099 0.000) 3.039 3.829 ( -0.794 -1.120 0.000) 1.372 3.829 ( -0.794 1.120 0.000) 1.372 4.085 ( 0.365 -1.216 0.000) 1.270 4.085 ( 0.365 1.216 0.000) 1.270 4.091 ( 0.124 -1.608 0.000) 1.612 4.092 ( 0.124 1.608 0.000) 1.613 4.371 ( 1.429 -1.264 0.000) 1.908 4.371 ( 1.429 1.264 0.000) 1.908 4.414 ( -0.738 -0.878 0.000) 1.147 4.414 ( -0.738 0.878 0.000) 1.147 4.495 ( 6.235 -0.178 0.000) 6.237 4.495 ( 6.235 0.178 0.000) 6.237 4.574 ( 0.737 -0.664 0.000) 0.992 4.574 ( 0.737 0.664 0.000) 0.992 4.620 ( -1.277 -1.282 0.000) 1.810 4.620 ( -1.277 1.282 0.000) 1.810 4.727 ( -5.225 -0.275 0.000) 5.232 4.727 ( -5.225 0.276 0.000) 5.232 5.863 ( 0.685 -1.306 0.000) 1.474 5.863 ( 0.685 1.306 0.000) 1.474 5.892 ( -0.711 -1.306 0.000) 1.487 5.892 ( -0.711 1.306 0.000) 1.487 6.587 ( 0.609 -3.472 0.000) 3.525 6.587 ( 0.609 3.472 0.000) 3.525 6.617 ( -0.889 -2.569 0.000) 2.718 6.617 ( -0.889 2.569 0.000) 2.718 7.725 ( 2.933 -0.740 0.000) 3.025 7.725 ( 2.933 0.740 0.000) 3.025 7.810 ( -1.254 -0.840 0.000) 1.509 7.810 ( -1.254 0.840 0.000) 1.509 7.901 ( -0.484 -0.750 0.000) 0.893 7.901 ( -0.484 0.750 0.000) 0.893 7.916 ( -1.140 -0.217 0.000) 1.161 7.916 ( -1.140 0.217 0.000) 1.161 ======================= Grid point 48 (28/56) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -0.907 -1.284 0.000) 1.572 1.566 ( 0.907 -1.284 0.000) 1.572 1.566 ( -0.907 1.284 0.000) 1.572 1.566 ( 0.907 1.284 0.000) 1.572 1.888 ( -1.982 -5.619 0.000) 5.959 1.888 ( 1.982 -5.619 0.000) 5.958 1.888 ( -1.982 5.619 0.000) 5.958 1.888 ( 1.982 5.619 0.000) 5.958 2.149 ( -10.723 -4.403 0.000) 11.592 2.149 ( -10.723 4.403 0.000) 11.592 2.149 ( 10.723 -4.403 0.000) 11.591 2.149 ( 10.723 4.403 0.000) 11.592 2.245 ( -4.010 -11.328 0.000) 12.017 2.245 ( 4.010 -11.328 0.000) 12.017 2.245 ( -4.010 11.328 0.000) 12.017 2.245 ( 4.010 11.328 0.000) 12.017 2.430 ( -2.513 -4.603 0.000) 5.245 2.430 ( 2.513 -4.603 0.000) 5.245 2.430 ( -2.513 4.603 0.000) 5.245 2.430 ( 2.513 4.603 0.000) 5.245 2.621 ( -1.804 -4.248 0.000) 4.615 2.621 ( 1.804 -4.248 0.000) 4.615 2.621 ( -1.804 4.248 0.000) 4.615 2.621 ( 1.804 4.248 0.000) 4.615 2.956 ( -4.123 -2.948 0.000) 5.069 2.956 ( 4.123 -2.948 0.000) 5.069 2.956 ( -4.123 2.948 0.000) 5.069 2.956 ( 4.123 2.948 0.000) 5.069 3.042 ( -4.556 -2.829 0.000) 5.363 3.042 ( 4.556 -2.829 0.000) 5.363 3.042 ( -4.556 2.829 0.000) 5.363 3.042 ( 4.556 2.829 0.000) 5.363 3.392 ( -2.522 -1.269 0.000) 2.823 3.392 ( 2.521 -1.269 0.000) 2.823 3.392 ( -2.521 1.269 0.000) 2.823 3.392 ( 2.521 1.269 0.000) 2.823 3.804 ( -2.002 -0.548 0.000) 2.076 3.804 ( -2.002 0.548 0.000) 2.076 3.804 ( 2.002 -0.548 0.000) 2.076 3.804 ( 2.002 0.548 0.000) 2.076 4.091 ( -0.215 -1.535 0.000) 1.550 4.091 ( 0.215 -1.535 0.000) 1.549 4.091 ( -0.215 1.535 0.000) 1.550 4.091 ( 0.215 1.535 0.000) 1.550 4.396 ( -1.200 -0.939 0.000) 1.524 4.396 ( 1.200 -0.939 0.000) 1.524 4.396 ( -1.200 0.939 0.000) 1.524 4.396 ( 1.200 0.939 0.000) 1.524 4.594 ( -1.169 -0.227 0.000) 1.191 4.594 ( -1.170 0.226 0.000) 1.191 4.594 ( 1.170 -0.226 0.000) 1.191 4.594 ( 1.170 0.226 0.000) 1.191 4.616 ( -6.212 -0.725 0.000) 6.254 4.616 ( -6.212 0.725 0.000) 6.254 4.616 ( 6.212 -0.725 0.000) 6.254 4.616 ( 6.212 0.725 0.000) 6.254 5.877 ( -0.831 -1.237 0.000) 1.490 5.877 ( 0.831 -1.237 0.000) 1.490 5.877 ( -0.831 1.237 0.000) 1.490 5.877 ( 0.831 1.237 0.000) 1.490 6.600 ( -0.849 -3.406 0.000) 3.511 6.600 ( 0.849 -3.406 0.000) 3.511 6.600 ( -0.849 3.407 0.000) 3.511 6.600 ( 0.849 3.406 0.000) 3.511 7.776 ( -2.355 -0.816 0.000) 2.492 7.776 ( -2.355 0.816 0.000) 2.492 7.776 ( 2.355 -0.816 0.000) 2.492 7.776 ( 2.355 0.816 0.000) 2.492 7.900 ( -0.436 -0.496 0.000) 0.660 7.900 ( 0.436 -0.496 0.000) 0.660 7.900 ( -0.436 0.496 0.000) 0.660 7.900 ( 0.436 0.496 0.000) 0.660 ======================= Grid point 91 (29/56) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 0.000 0.000 19.043) 19.043 0.371 ( 0.000 0.000 18.367) 18.367 0.670 ( 0.000 0.000 -7.766) 7.766 0.701 ( 0.000 0.000 32.036) 32.036 0.733 ( 0.000 0.000 -18.558) 18.558 1.154 ( 0.000 0.000 5.619) 5.619 1.318 ( 0.000 0.000 -22.791) 22.791 1.336 ( 0.000 0.000 -13.684) 13.684 1.409 ( 0.000 0.000 14.552) 14.552 1.636 ( 0.000 0.000 -8.048) 8.048 1.651 ( 0.000 0.000 6.912) 6.912 1.753 ( 0.000 0.000 -4.955) 4.955 1.789 ( 0.000 0.000 4.610) 4.610 1.876 ( 0.000 0.000 0.633) 0.633 1.907 ( 0.000 0.000 -2.973) 2.973 1.955 ( 0.000 0.000 -12.766) 12.766 2.183 ( 0.000 0.000 0.306) 0.306 2.231 ( 0.000 0.000 -4.479) 4.479 2.380 ( 0.000 0.000 6.199) 6.199 2.404 ( 0.000 0.000 6.510) 6.510 2.459 ( 0.000 0.000 -0.256) 0.256 2.500 ( 0.000 0.000 -5.724) 5.724 2.624 ( 0.000 0.000 10.187) 10.187 2.656 ( 0.000 0.000 2.609) 2.609 2.697 ( 0.000 0.000 7.968) 7.968 2.698 ( 0.000 0.000 -1.622) 1.622 2.731 ( 0.000 0.000 -3.135) 3.135 2.736 ( 0.000 0.000 9.154) 9.154 2.813 ( 0.000 0.000 -3.576) 3.576 2.949 ( 0.000 0.000 -9.138) 9.138 2.949 ( 0.000 0.000 0.411) 0.411 2.956 ( 0.000 0.000 -0.200) 0.200 3.087 ( 0.000 0.000 0.120) 0.120 3.113 ( 0.000 0.000 -2.134) 2.134 3.376 ( 0.000 0.000 0.411) 0.411 3.388 ( 0.000 0.000 -0.616) 0.616 3.816 ( 0.000 0.000 0.444) 0.444 3.826 ( 0.000 0.000 -0.441) 0.441 3.877 ( 0.000 0.000 14.031) 14.031 3.982 ( 0.000 0.000 0.100) 0.100 3.983 ( 0.000 0.000 -0.039) 0.039 4.102 ( 0.000 0.000 -2.635) 2.635 4.113 ( 0.000 0.000 0.973) 0.973 4.148 ( 0.000 0.000 0.785) 0.785 4.165 ( 0.000 0.000 -0.854) 0.854 4.189 ( 0.000 0.000 -10.865) 10.865 4.326 ( 0.000 0.000 0.248) 0.248 4.333 ( 0.000 0.000 -0.246) 0.246 4.354 ( 0.000 0.000 -0.141) 0.141 4.355 ( 0.000 0.000 -0.237) 0.237 4.439 ( 0.000 0.000 -0.194) 0.194 4.443 ( 0.000 0.000 -0.760) 0.760 4.460 ( 0.000 0.000 0.316) 0.316 4.467 ( 0.000 0.000 -0.299) 0.299 4.595 ( 0.000 0.000 2.280) 2.280 4.627 ( 0.000 0.000 -0.627) 0.627 5.028 ( 0.000 0.000 1.000) 1.000 5.042 ( 0.000 0.000 -0.250) 0.250 5.209 ( 0.000 0.000 3.170) 3.170 5.279 ( 0.000 0.000 -3.322) 3.322 7.671 ( 0.000 0.000 5.647) 5.647 7.801 ( 0.000 0.000 -6.731) 6.731 8.090 ( 0.000 0.000 2.547) 2.547 8.109 ( 0.000 0.000 2.665) 2.665 8.149 ( 0.000 0.000 -3.068) 3.068 8.171 ( 0.000 0.000 -3.647) 3.647 8.240 ( 0.000 0.000 0.532) 0.532 8.247 ( 0.000 0.000 0.012) 0.012 8.294 ( 0.000 0.000 0.059) 0.059 8.295 ( 0.000 0.000 0.008) 0.008 8.323 ( 0.000 0.000 3.290) 3.290 8.370 ( 0.000 0.000 -1.403) 1.403 ======================= Grid point 92 (30/56) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 8.953 0.000 14.285) 16.859 0.567 ( 16.657 0.000 11.773) 20.398 0.723 ( 3.056 0.000 -17.276) 17.544 0.839 ( 9.826 0.000 -15.418) 18.283 0.957 ( 20.099 0.000 27.233) 33.847 1.146 ( 3.360 0.000 6.787) 7.573 1.269 ( -5.688 0.000 -3.789) 6.835 1.420 ( 0.922 0.000 12.888) 12.921 1.477 ( 11.616 0.000 -21.471) 24.412 1.616 ( -2.326 0.000 -6.754) 7.143 1.652 ( -2.615 0.000 2.752) 3.796 1.720 ( 0.926 0.000 -0.928) 1.311 1.778 ( -0.974 0.000 0.878) 1.311 1.887 ( 1.513 0.000 1.477) 2.115 1.929 ( -1.601 0.000 -11.932) 12.039 1.940 ( 3.378 0.000 -4.024) 5.254 2.193 ( 0.449 0.000 1.757) 1.814 2.227 ( -0.142 0.000 -2.108) 2.112 2.352 ( -2.935 0.000 6.273) 6.925 2.474 ( -3.008 0.000 -5.843) 6.572 2.479 ( 5.964 0.000 3.150) 6.745 2.503 ( 1.756 0.000 1.058) 2.050 2.612 ( -2.724 0.000 6.885) 7.405 2.657 ( 0.145 0.000 2.689) 2.693 2.695 ( -0.852 0.000 2.743) 2.872 2.700 ( 0.260 0.000 -1.704) 1.724 2.714 ( 1.487 0.000 3.766) 4.049 2.798 ( 0.626 0.000 -1.437) 1.567 2.807 ( 3.083 0.000 1.190) 3.305 2.882 ( -5.577 0.000 1.692) 5.828 2.914 ( -4.473 0.000 -1.356) 4.674 2.929 ( -1.712 0.000 -6.970) 7.178 3.066 ( -1.619 0.000 0.290) 1.645 3.068 ( -2.350 0.000 -0.222) 2.360 3.288 ( -6.117 0.000 2.488) 6.603 3.338 ( -3.935 0.000 -2.193) 4.505 3.855 ( 3.649 0.000 0.667) 3.710 3.870 ( 3.825 0.000 -0.682) 3.886 3.972 ( 8.491 0.000 9.815) 12.978 3.982 ( 0.073 0.000 0.273) 0.283 3.987 ( 0.224 0.000 -0.222) 0.316 4.093 ( 1.395 0.000 0.064) 1.396 4.113 ( 0.322 0.000 0.878) 0.935 4.167 ( 2.094 0.000 0.675) 2.200 4.182 ( 1.825 0.000 -0.720) 1.962 4.200 ( 1.112 0.000 -7.868) 7.946 4.305 ( -0.571 0.000 0.051) 0.573 4.327 ( -0.494 0.000 -2.380) 2.431 4.375 ( 1.914 0.000 0.760) 2.059 4.388 ( 2.709 0.000 -0.422) 2.742 4.443 ( -1.815 0.000 0.318) 1.843 4.449 ( -1.823 0.000 -0.293) 1.846 4.473 ( 2.264 0.000 0.897) 2.435 4.504 ( 3.450 0.000 -2.367) 4.184 4.579 ( -1.140 0.000 1.892) 2.209 4.601 ( -1.835 0.000 0.057) 1.836 5.052 ( 2.109 0.000 0.701) 2.222 5.059 ( 1.935 0.000 0.320) 1.961 5.202 ( -0.773 0.000 3.004) 3.102 5.271 ( -0.875 0.000 -3.376) 3.487 7.762 ( 7.637 0.000 3.914) 8.581 7.858 ( 5.454 0.000 -5.220) 7.550 8.114 ( 2.303 0.000 2.195) 3.181 8.120 ( 0.999 0.000 3.191) 3.343 8.164 ( 1.445 0.000 -2.591) 2.967 8.191 ( 1.030 0.000 -3.884) 4.018 8.248 ( 0.721 0.000 0.408) 0.828 8.253 ( 0.601 0.000 0.006) 0.601 8.270 ( -1.617 0.000 1.126) 1.971 8.292 ( -0.951 0.000 -0.842) 1.270 8.327 ( -0.283 0.000 2.269) 2.287 8.363 ( -1.064 0.000 -1.145) 1.563 ======================= Grid point 93 (31/56) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 12.887 0.000 -0.345) 12.892 0.756 ( 1.118 0.000 -10.462) 10.521 0.882 ( 15.283 0.000 5.943) 16.398 1.032 ( 8.813 0.000 -8.935) 12.550 1.119 ( -3.633 0.000 8.059) 8.840 1.228 ( -0.703 0.000 -4.740) 4.792 1.386 ( 20.653 0.000 14.824) 25.423 1.430 ( -0.017 0.000 7.414) 7.414 1.545 ( -5.083 0.000 -4.165) 6.571 1.618 ( 2.895 0.000 10.617) 11.005 1.675 ( 5.150 0.000 -1.267) 5.304 1.751 ( 2.771 0.000 -6.818) 7.359 1.803 ( 4.250 0.000 -4.276) 6.028 1.945 ( 3.263 0.000 -14.662) 15.021 1.947 ( 5.092 0.000 3.052) 5.936 2.028 ( 5.482 0.000 -5.062) 7.461 2.176 ( -1.630 0.000 2.992) 3.407 2.235 ( -0.029 0.000 -1.318) 1.318 2.272 ( -5.232 0.000 5.777) 7.794 2.378 ( -7.081 0.000 -4.795) 8.552 2.407 ( -9.691 0.000 4.287) 10.597 2.495 ( -8.466 0.000 -5.125) 9.896 2.609 ( 4.186 0.000 6.260) 7.530 2.668 ( 1.167 0.000 2.327) 2.603 2.696 ( 1.420 0.000 -1.811) 2.301 2.709 ( 0.751 0.000 -1.777) 1.929 2.773 ( 1.855 0.000 1.372) 2.307 2.781 ( -4.455 0.000 2.041) 4.900 2.790 ( 1.292 0.000 -1.044) 1.661 2.820 ( -4.783 0.000 -1.667) 5.065 2.898 ( 4.612 0.000 1.353) 4.806 2.914 ( 0.947 0.000 -0.200) 0.968 3.024 ( -2.103 0.000 0.840) 2.264 3.053 ( 0.658 0.000 -2.154) 2.252 3.174 ( -5.181 0.000 4.871) 7.111 3.262 ( -4.609 0.000 -3.613) 5.856 3.926 ( 3.337 0.000 0.536) 3.380 3.938 ( 2.924 0.000 -0.568) 2.979 3.983 ( -0.073 0.000 0.248) 0.258 3.987 ( -0.277 0.000 -0.211) 0.348 4.116 ( 3.484 0.000 0.556) 3.529 4.131 ( 3.178 0.000 -0.664) 3.247 4.164 ( 4.871 0.000 2.701) 5.570 4.198 ( -1.245 0.000 -0.374) 1.300 4.227 ( 4.216 0.000 0.391) 4.234 4.236 ( 3.887 0.000 -0.419) 3.910 4.317 ( 2.090 0.000 -0.011) 2.090 4.343 ( 2.506 0.000 -2.606) 3.616 4.392 ( -3.523 0.000 0.300) 3.536 4.398 ( -3.565 0.000 -0.270) 3.575 4.403 ( 0.478 0.000 1.630) 1.699 4.430 ( 1.066 0.000 -0.633) 1.240 4.499 ( 0.671 0.000 2.105) 2.209 4.544 ( -0.914 0.000 -1.207) 1.514 4.559 ( 0.461 0.000 -0.054) 0.464 4.577 ( -0.449 0.000 -1.314) 1.389 5.092 ( 2.388 0.000 1.469) 2.803 5.117 ( 3.727 0.000 -0.710) 3.794 5.180 ( -1.643 0.000 2.628) 3.099 5.243 ( -2.264 0.000 -3.055) 3.802 7.934 ( 9.629 0.000 1.941) 9.823 7.983 ( 7.178 0.000 -2.886) 7.737 8.136 ( 0.413 0.000 3.313) 3.339 8.165 ( 2.771 0.000 1.283) 3.053 8.194 ( 1.412 0.000 -1.444) 2.019 8.199 ( -0.350 0.000 -2.907) 2.928 8.241 ( -1.214 0.000 1.361) 1.824 8.261 ( 0.519 0.000 0.170) 0.546 8.264 ( 0.337 0.000 -0.003) 0.337 8.265 ( -1.832 0.000 -0.560) 1.916 8.306 ( -1.837 0.000 0.625) 1.940 8.326 ( -2.606 0.000 -0.928) 2.766 ======================= Grid point 94 (32/56) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -1.481 0.000 -5.439) 5.637 0.764 ( 1.481 0.000 -5.439) 5.637 1.086 ( -4.714 0.000 0.246) 4.721 1.086 ( 4.714 0.000 0.246) 4.721 1.138 ( -5.683 0.000 1.251) 5.819 1.138 ( 5.683 0.000 1.251) 5.819 1.452 ( -3.557 0.000 -0.494) 3.591 1.452 ( 3.557 0.000 -0.494) 3.591 1.651 ( -2.414 0.000 8.098) 8.450 1.651 ( 2.414 0.000 8.098) 8.450 1.741 ( -5.852 0.000 3.715) 6.932 1.741 ( 5.853 0.000 3.716) 6.932 1.948 ( -6.697 0.000 -4.238) 7.925 1.948 ( 6.697 0.000 -4.238) 7.925 2.059 ( -4.855 0.000 1.198) 5.001 2.059 ( 4.855 0.000 1.198) 5.001 2.180 ( -4.818 0.000 -6.779) 8.317 2.180 ( 4.818 0.000 -6.779) 8.317 2.243 ( -5.181 0.000 -1.208) 5.320 2.243 ( 5.181 0.000 -1.208) 5.320 2.329 ( -4.709 0.000 -0.992) 4.813 2.329 ( 4.709 0.000 -0.992) 4.812 2.682 ( -3.103 0.000 4.498) 5.464 2.682 ( 3.103 0.000 4.498) 5.464 2.701 ( -2.178 0.000 1.232) 2.502 2.701 ( 2.178 0.000 1.232) 2.502 2.753 ( -2.058 0.000 -0.959) 2.271 2.753 ( 2.058 0.000 -0.959) 2.271 2.799 ( -1.531 0.000 -3.836) 4.130 2.799 ( 1.531 0.000 -3.836) 4.130 2.939 ( -0.849 0.000 0.068) 0.852 2.939 ( 0.849 0.000 0.068) 0.852 3.038 ( -3.594 0.000 3.859) 5.273 3.038 ( 3.594 0.000 3.859) 5.273 3.164 ( -4.856 0.000 -1.561) 5.101 3.164 ( 4.856 0.000 -1.561) 5.101 3.971 ( -1.453 0.000 0.115) 1.457 3.971 ( 1.453 0.000 0.115) 1.457 3.974 ( -1.023 0.000 -0.114) 1.029 3.974 ( 1.023 0.000 -0.114) 1.029 4.159 ( -1.888 0.000 0.769) 2.039 4.159 ( 1.888 0.000 0.769) 2.039 4.190 ( -1.526 0.000 -1.075) 1.867 4.190 ( 1.526 0.000 -1.075) 1.867 4.312 ( -2.825 0.000 0.066) 2.826 4.312 ( 2.825 0.000 0.066) 2.826 4.321 ( -2.816 0.000 -0.066) 2.816 4.321 ( 2.816 0.000 -0.066) 2.816 4.381 ( -2.194 0.000 1.015) 2.418 4.381 ( 2.195 0.000 1.015) 2.418 4.407 ( -3.202 0.000 -0.976) 3.347 4.407 ( 3.202 0.000 -0.976) 3.347 4.515 ( -1.183 0.000 1.394) 1.828 4.515 ( 1.183 0.000 1.394) 1.828 4.571 ( -0.456 0.000 -1.130) 1.219 4.571 ( 0.456 0.000 -1.130) 1.218 5.140 ( -2.441 0.000 1.891) 3.088 5.140 ( 2.441 0.000 1.891) 3.088 5.188 ( -3.457 0.000 -1.883) 3.937 5.188 ( 3.457 0.000 -1.884) 3.937 8.065 ( -2.291 0.000 0.249) 2.304 8.065 ( 2.291 0.000 0.249) 2.304 8.157 ( -3.857 0.000 -0.498) 3.889 8.157 ( 3.857 0.000 -0.498) 3.889 8.202 ( -0.828 0.000 0.005) 0.828 8.202 ( 0.828 0.000 0.005) 0.828 8.233 ( -0.736 0.000 0.757) 1.056 8.233 ( 0.736 0.000 0.757) 1.056 8.266 ( -0.042 0.000 -0.005) 0.042 8.266 ( 0.042 0.000 -0.005) 0.042 8.288 ( -0.699 0.000 -0.503) 0.861 8.288 ( 0.699 0.000 -0.504) 0.861 ======================= Grid point 98 (33/56) ======================= q-point: ( 0.00 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 0.000 14.740 14.398) 20.605 0.618 ( 0.000 19.641 10.447) 22.247 0.855 ( 0.000 15.662 -7.447) 17.342 0.891 ( 0.000 12.910 -13.533) 18.703 0.966 ( 0.000 25.022 19.348) 31.629 1.209 ( 0.000 6.269 6.349) 8.922 1.283 ( 0.000 2.165 -1.403) 2.580 1.466 ( 0.000 13.325 -19.573) 23.678 1.604 ( 0.000 12.174 -2.827) 12.498 1.630 ( 0.000 -0.936 6.346) 6.415 1.658 ( 0.000 1.595 -3.042) 3.435 1.740 ( 0.000 0.496 -4.032) 4.063 1.802 ( 0.000 4.100 3.556) 5.427 1.886 ( 0.000 1.367 -2.780) 3.098 1.991 ( 0.000 5.015 -2.082) 5.430 2.017 ( 0.000 4.519 -8.016) 9.203 2.278 ( 0.000 9.172 -1.242) 9.256 2.291 ( 0.000 5.548 -2.786) 6.208 2.379 ( 0.000 -0.440 4.821) 4.841 2.404 ( 0.000 0.672 1.332) 1.492 2.514 ( 0.000 4.555 3.455) 5.717 2.565 ( 0.000 2.740 0.599) 2.805 2.623 ( 0.000 -1.973 9.828) 10.024 2.673 ( 0.000 2.157 2.423) 3.244 2.717 ( 0.000 -0.827 -1.388) 1.615 2.750 ( 0.000 2.936 7.686) 8.228 2.752 ( 0.000 -0.510 -3.993) 4.025 2.824 ( 0.000 12.586 1.839) 12.719 2.882 ( 0.000 11.782 -3.372) 12.255 2.911 ( 0.000 -0.483 -6.944) 6.961 2.913 ( 0.000 -0.993 4.029) 4.149 3.003 ( 0.000 1.012 -3.523) 3.665 3.072 ( 0.000 0.221 2.270) 2.281 3.125 ( 0.000 3.381 -2.479) 4.193 3.237 ( 0.000 -8.075 1.439) 8.202 3.267 ( 0.000 -7.926 -1.355) 8.041 3.872 ( 0.000 -0.157 9.704) 9.705 3.905 ( 0.000 5.416 0.393) 5.430 3.911 ( 0.000 4.973 -0.150) 4.976 3.972 ( 0.000 -1.327 -1.475) 1.984 4.013 ( 0.000 2.708 2.963) 4.014 4.052 ( 0.000 -0.530 1.423) 1.519 4.075 ( 0.000 -0.501 -0.528) 0.728 4.180 ( 0.000 1.044 -10.006) 10.060 4.182 ( 0.000 2.564 0.736) 2.668 4.201 ( 0.000 2.416 -2.026) 3.152 4.291 ( 0.000 -2.391 0.294) 2.409 4.303 ( 0.000 -2.059 -0.680) 2.169 4.371 ( 0.000 1.347 0.234) 1.368 4.377 ( 0.000 1.956 -0.369) 1.990 4.424 ( 0.000 -0.531 -0.095) 0.539 4.426 ( 0.000 -0.897 -0.275) 0.938 4.486 ( 0.000 1.764 0.190) 1.774 4.492 ( 0.000 2.378 -0.313) 2.398 4.559 ( 0.000 -2.650 1.659) 3.126 4.564 ( 0.000 -2.249 0.780) 2.380 5.010 ( 0.000 -1.806 1.125) 2.128 5.026 ( 0.000 -1.598 -0.368) 1.640 5.179 ( 0.000 -3.020 2.911) 4.195 5.244 ( 0.000 -3.558 -3.077) 4.704 7.678 ( 0.000 0.598 5.327) 5.361 7.801 ( 0.000 -0.116 -6.401) 6.402 8.007 ( 0.000 -8.517 0.403) 8.526 8.010 ( 0.000 -9.629 0.233) 9.632 8.101 ( 0.000 -10.943 1.479) 11.042 8.110 ( 0.000 -5.982 0.477) 6.001 8.186 ( 0.000 -0.617 -1.899) 1.997 8.190 ( 0.000 -7.447 -1.730) 7.645 8.295 ( 0.000 -1.683 1.849) 2.500 8.312 ( 0.000 -0.779 -0.291) 0.831 8.360 ( 0.000 0.919 1.971) 2.175 8.409 ( 0.000 0.285 -2.671) 2.686 ======================= Grid point 99 (34/56) ======================= q-point: ( 0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 1.098 17.064 11.843) 20.800 0.700 ( 9.961 10.290 11.801) 18.558 0.829 ( 0.004 11.187 -12.964) 17.123 0.933 ( 3.870 8.840 -10.496) 14.258 1.135 ( 7.862 13.113 15.546) 21.805 1.245 ( 6.118 7.598 3.930) 10.517 1.352 ( 3.552 10.235 -2.776) 11.184 1.483 ( 3.338 6.461 -3.327) 7.998 1.584 ( -1.661 10.312 -0.804) 10.476 1.637 ( 0.413 1.408 5.438) 5.633 1.708 ( 4.186 4.686 -8.430) 10.515 1.757 ( 2.737 3.072 -4.648) 6.207 1.784 ( -1.843 4.477 3.208) 5.808 1.881 ( -0.308 1.016 -4.600) 4.721 1.987 ( 0.543 4.996 -2.640) 5.677 2.018 ( 1.661 4.905 -7.390) 9.024 2.235 ( -3.983 3.195 2.725) 5.788 2.281 ( 0.244 5.667 -1.640) 5.904 2.426 ( -6.918 0.646 2.491) 7.381 2.439 ( -2.740 -0.233 0.267) 2.763 2.472 ( 6.324 2.158 1.626) 6.877 2.512 ( -1.510 -0.047 -2.365) 2.806 2.658 ( 2.043 1.149 9.227) 9.520 2.680 ( -1.058 -0.371 2.778) 2.996 2.688 ( 0.444 -0.471 3.453) 3.514 2.744 ( 0.777 1.842 -0.142) 2.004 2.800 ( 2.535 1.630 0.228) 3.022 2.822 ( -0.048 11.342 -0.598) 11.358 2.884 ( 0.412 11.277 -1.695) 11.411 2.888 ( -0.647 7.151 0.667) 7.211 2.929 ( -0.529 1.357 -1.564) 2.138 2.985 ( -0.377 3.123 -4.567) 5.545 3.062 ( -1.103 0.356 2.748) 2.982 3.113 ( -1.775 4.026 -1.594) 4.680 3.245 ( -0.404 -3.818 0.133) 3.842 3.256 ( -1.094 -5.134 -0.775) 5.306 3.909 ( 0.935 3.417 0.412) 3.566 3.913 ( 0.958 2.714 0.021) 2.878 3.925 ( 3.457 -1.626 4.288) 5.743 3.967 ( -0.257 -1.673 -0.548) 1.779 4.052 ( 3.952 2.696 3.171) 5.740 4.069 ( 1.912 0.024 0.836) 2.086 4.088 ( 2.045 -0.316 0.905) 2.259 4.187 ( 0.802 1.822 -1.429) 2.451 4.205 ( 1.452 1.816 -1.731) 2.899 4.216 ( 1.509 1.714 -4.248) 4.823 4.287 ( -0.057 -1.618 0.309) 1.649 4.302 ( 0.118 -1.933 -1.535) 2.471 4.383 ( 0.943 0.164 0.150) 0.969 4.396 ( 1.161 0.016 -1.117) 1.612 4.435 ( 0.041 -0.454 0.713) 0.847 4.444 ( 0.415 -0.419 0.119) 0.602 4.496 ( 1.128 2.545 0.242) 2.794 4.505 ( 2.278 1.426 -0.593) 2.753 4.551 ( -0.630 -1.978 1.133) 2.365 4.563 ( -0.229 -2.235 -0.093) 2.248 5.031 ( 1.935 -2.061 0.725) 2.919 5.039 ( 1.585 -1.910 0.186) 2.490 5.172 ( -0.779 -3.021 2.796) 4.189 5.236 ( -0.847 -3.512 -3.107) 4.764 7.754 ( 7.368 -0.398 4.197) 8.489 7.852 ( 5.007 -0.685 -5.161) 7.224 8.012 ( 0.669 -9.065 0.703) 9.117 8.022 ( 0.956 -9.783 -0.085) 9.830 8.095 ( -0.446 -11.002 1.553) 11.120 8.115 ( 0.232 -7.939 -0.430) 7.954 8.162 ( -1.019 -4.150 0.532) 4.306 8.200 ( 0.543 -1.960 -2.695) 3.376 8.293 ( -0.484 -1.492 1.503) 2.173 8.309 ( -0.504 -0.420 -0.306) 0.724 8.356 ( -0.337 0.690 1.405) 1.602 8.389 ( -1.494 0.606 -1.588) 2.264 ======================= Grid point 100 (35/56) ======================= q-point: ( 0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 11.727 8.242 3.134) 14.672 0.852 ( 1.921 8.941 -9.191) 12.966 0.923 ( 12.385 5.121 6.534) 14.910 1.063 ( 5.951 5.306 -8.434) 11.606 1.144 ( 0.998 1.973 9.002) 9.269 1.299 ( -1.825 2.714 -5.911) 6.755 1.469 ( 1.676 9.218 2.681) 9.745 1.506 ( -4.922 4.348 0.274) 6.573 1.560 ( 4.679 4.006 10.680) 12.329 1.687 ( 4.410 8.369 9.051) 13.093 1.749 ( 0.829 3.363 4.518) 5.693 1.792 ( 2.744 3.949 -10.262) 11.333 1.812 ( 2.948 0.508 -0.997) 3.153 1.907 ( 3.228 1.905 -10.069) 10.744 2.057 ( 5.403 6.546 -1.788) 8.675 2.073 ( -1.211 -2.927 -3.065) 4.408 2.145 ( -1.771 3.593 1.186) 4.178 2.235 ( -5.944 -0.577 -6.252) 8.646 2.315 ( -4.450 2.737 1.472) 5.427 2.323 ( -0.537 3.660 1.688) 4.066 2.531 ( -0.906 6.133 0.716) 6.241 2.565 ( -0.675 5.902 -2.438) 6.421 2.622 ( -1.218 4.411 7.005) 8.367 2.672 ( 0.250 -0.663 3.394) 3.468 2.731 ( 2.164 -0.882 0.821) 2.477 2.780 ( 1.745 1.401 -2.633) 3.456 2.822 ( 0.649 6.612 -1.537) 6.819 2.827 ( 0.603 8.252 -1.902) 8.489 2.888 ( 0.551 8.533 0.753) 8.584 2.897 ( -0.063 8.161 -0.143) 8.163 2.948 ( 4.185 7.642 2.009) 8.942 2.987 ( -0.849 6.512 -1.085) 6.656 3.035 ( -1.856 1.850 2.085) 3.349 3.075 ( 0.041 2.548 -1.301) 2.862 3.183 ( -4.826 2.212 2.190) 5.743 3.231 ( -2.829 -2.276 -2.263) 4.279 3.936 ( 1.727 0.344 0.305) 1.787 3.943 ( 1.637 -0.008 -0.346) 1.673 3.964 ( 0.407 -1.862 0.216) 1.918 3.965 ( 0.337 -2.082 0.187) 2.117 4.113 ( 2.995 -0.922 0.343) 3.152 4.123 ( 3.676 -0.666 -0.510) 3.771 4.180 ( 4.409 2.404 1.713) 5.306 4.201 ( -0.037 1.054 -0.516) 1.174 4.232 ( 1.562 0.623 0.538) 1.765 4.240 ( 1.925 0.689 -0.397) 2.083 4.302 ( 1.762 -1.527 0.370) 2.361 4.316 ( 0.851 -2.513 -1.178) 2.903 4.374 ( -1.948 -1.496 0.297) 2.474 4.395 ( -0.252 -0.800 -1.525) 1.740 4.424 ( -0.758 0.996 1.768) 2.166 4.455 ( 0.136 1.559 -0.954) 1.833 4.515 ( 0.536 1.935 1.024) 2.253 4.530 ( -0.752 -0.591 0.192) 0.975 4.553 ( 1.421 0.084 -0.228) 1.442 4.567 ( 0.556 -0.463 -1.278) 1.468 5.067 ( 2.131 -2.535 1.365) 3.582 5.091 ( 3.411 -2.567 -0.786) 4.340 5.150 ( -1.597 -2.997 2.553) 4.249 5.209 ( -2.123 -3.344 -2.835) 4.872 7.921 ( 9.401 -1.515 1.870) 9.704 7.966 ( 6.374 -2.221 -2.448) 7.180 8.028 ( 0.826 -9.779 0.744) 9.842 8.041 ( 0.904 -9.872 -0.406) 9.921 8.090 ( 0.103 -11.139 1.109) 11.194 8.110 ( -0.632 -10.936 -1.000) 11.000 8.152 ( -0.755 -3.217 2.129) 3.930 8.200 ( -1.268 -2.452 -2.407) 3.663 8.280 ( -0.551 -0.025 1.077) 1.210 8.295 ( -0.812 0.278 -0.510) 0.998 8.348 ( -0.518 0.523 0.588) 0.943 8.363 ( -1.286 0.543 -0.770) 1.595 ======================= Grid point 101 (36/56) ======================= q-point: (-0.50 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -2.780 9.135 -3.873) 10.304 0.864 ( 2.780 9.134 -3.873) 10.304 1.059 ( -1.566 3.818 -0.939) 4.233 1.059 ( 1.566 3.818 -0.939) 4.233 1.288 ( -11.627 -0.031 6.454) 13.298 1.288 ( 11.627 -0.031 6.454) 13.298 1.391 ( -9.229 4.512 -3.057) 10.718 1.391 ( 9.229 4.512 -3.056) 10.718 1.679 ( -3.547 1.798 7.050) 8.094 1.679 ( 3.547 1.798 7.050) 8.094 1.813 ( -1.202 3.447 -3.106) 4.793 1.813 ( 1.202 3.447 -3.106) 4.793 1.909 ( -6.987 -3.293 3.602) 8.522 1.909 ( 6.987 -3.292 3.602) 8.522 2.006 ( -5.622 -1.765 -5.964) 8.384 2.006 ( 5.622 -1.765 -5.964) 8.384 2.216 ( -4.345 6.733 1.625) 8.177 2.216 ( 4.345 6.733 1.625) 8.176 2.317 ( -3.718 6.774 -5.430) 9.444 2.317 ( 3.718 6.773 -5.430) 9.444 2.486 ( -0.727 10.715 0.769) 10.767 2.486 ( 0.727 10.715 0.769) 10.767 2.659 ( -2.004 1.443 4.835) 5.429 2.659 ( 2.004 1.443 4.835) 5.429 2.772 ( -1.930 1.352 -4.730) 5.284 2.772 ( 1.930 1.352 -4.730) 5.284 2.836 ( -0.357 6.246 -1.431) 6.417 2.836 ( 0.357 6.246 -1.431) 6.417 2.901 ( -0.955 11.530 1.025) 11.615 2.901 ( 0.955 11.530 1.025) 11.615 2.972 ( -0.963 3.692 1.404) 4.065 2.972 ( 0.963 3.692 1.404) 4.065 3.068 ( -5.032 4.447 2.835) 7.289 3.068 ( 5.032 4.447 2.835) 7.289 3.153 ( -4.503 0.139 -1.640) 4.794 3.153 ( 4.503 0.139 -1.640) 4.794 3.960 ( -0.661 -1.610 0.183) 1.750 3.960 ( 0.661 -1.610 0.183) 1.750 3.964 ( -0.663 -1.051 -0.162) 1.253 3.964 ( 0.663 -1.052 -0.162) 1.253 4.166 ( -1.929 0.369 0.384) 2.001 4.166 ( 1.929 0.369 0.384) 2.001 4.193 ( -1.854 0.543 -0.596) 2.022 4.193 ( 1.854 0.543 -0.596) 2.022 4.276 ( -0.265 -2.181 -0.133) 2.201 4.276 ( 0.265 -2.181 -0.133) 2.201 4.296 ( -1.038 -2.046 0.267) 2.310 4.296 ( 1.038 -2.046 0.267) 2.310 4.402 ( -1.595 0.548 0.404) 1.734 4.402 ( 1.595 0.548 0.404) 1.734 4.419 ( -3.118 0.535 -0.612) 3.222 4.419 ( 3.118 0.535 -0.612) 3.222 4.521 ( -0.245 1.368 1.133) 1.793 4.521 ( 0.245 1.368 1.133) 1.793 4.569 ( -0.393 0.212 -0.889) 0.995 4.569 ( 0.393 0.212 -0.889) 0.994 5.110 ( -2.259 -2.967 1.696) 4.096 5.110 ( 2.259 -2.967 1.696) 4.096 5.158 ( -3.185 -2.963 -1.688) 4.666 5.158 ( 3.185 -2.963 -1.688) 4.666 8.034 ( -0.522 -8.164 0.846) 8.225 8.034 ( 0.522 -8.165 0.846) 8.225 8.054 ( -2.100 -5.428 -0.622) 5.853 8.054 ( 2.100 -5.428 -0.622) 5.853 8.100 ( -0.272 -10.756 -0.258) 10.762 8.100 ( 0.272 -10.756 -0.258) 10.762 8.143 ( -2.837 -2.764 0.053) 3.961 8.143 ( 2.837 -2.764 0.053) 3.961 8.282 ( -0.589 0.638 0.081) 0.872 8.282 ( 0.589 0.638 0.081) 0.872 8.345 ( -0.439 0.638 -0.095) 0.780 8.345 ( 0.439 0.638 -0.095) 0.780 ======================= Grid point 105 (37/56) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 0.000 14.216 10.842) 17.879 0.991 ( 0.000 16.878 2.236) 17.025 1.137 ( 0.000 12.857 -5.908) 14.150 1.169 ( 0.000 14.516 -6.363) 15.850 1.368 ( 0.000 11.834 5.240) 12.942 1.451 ( 0.000 13.211 -2.202) 13.393 1.460 ( 0.000 18.031 9.898) 20.569 1.658 ( 0.000 4.508 -7.395) 8.661 1.693 ( 0.000 3.266 1.573) 3.625 1.733 ( 0.000 14.088 7.158) 15.803 1.780 ( 0.000 4.296 -7.253) 8.430 1.885 ( 0.000 12.290 -3.680) 12.829 1.916 ( 0.000 6.188 1.503) 6.368 1.973 ( 0.000 10.110 -9.327) 13.755 2.089 ( 0.000 6.306 -0.860) 6.365 2.111 ( 0.000 6.481 -4.020) 7.627 2.326 ( 0.000 -1.160 1.776) 2.122 2.379 ( 0.000 -2.169 -2.475) 3.291 2.430 ( 0.000 3.126 3.852) 4.961 2.458 ( 0.000 5.115 -0.748) 5.169 2.562 ( 0.000 2.221 1.913) 2.931 2.565 ( 0.000 -0.618 2.388) 2.466 2.644 ( 0.000 -2.011 0.562) 2.088 2.649 ( 0.000 -7.317 -0.154) 7.318 2.705 ( 0.000 4.553 2.532) 5.210 2.747 ( 0.000 0.392 -2.055) 2.092 2.769 ( 0.000 -3.710 5.371) 6.527 2.846 ( 0.000 0.901 8.852) 8.897 2.905 ( 0.000 -2.049 -6.893) 7.191 2.994 ( 0.000 -0.127 -4.936) 4.938 3.069 ( 0.000 0.572 4.363) 4.400 3.157 ( 0.000 4.245 -4.205) 5.975 3.215 ( 0.000 12.342 1.072) 12.389 3.229 ( 0.000 16.106 -0.126) 16.106 3.254 ( 0.000 16.731 0.195) 16.732 3.265 ( 0.000 10.853 -0.825) 10.884 3.860 ( 0.000 -1.670 3.753) 4.108 3.909 ( 0.000 -2.930 -0.884) 3.060 3.926 ( 0.000 -1.564 0.304) 1.593 3.941 ( 0.000 -2.012 -1.374) 2.436 4.072 ( 0.000 3.194 4.266) 5.330 4.147 ( 0.000 7.398 0.528) 7.417 4.162 ( 0.000 7.042 -0.581) 7.066 4.190 ( 0.000 -0.333 -6.465) 6.474 4.235 ( 0.000 2.486 0.198) 2.494 4.242 ( 0.000 0.201 -0.529) 0.566 4.266 ( 0.000 1.271 0.415) 1.337 4.278 ( 0.000 -0.306 -0.730) 0.791 4.369 ( 0.000 -1.457 1.559) 2.134 4.398 ( 0.000 0.106 -1.423) 1.426 4.433 ( 0.000 0.869 0.348) 0.936 4.435 ( 0.000 1.307 0.169) 1.318 4.524 ( 0.000 1.585 0.647) 1.712 4.536 ( 0.000 0.937 0.503) 1.063 4.537 ( 0.000 1.505 -0.419) 1.562 4.541 ( 0.000 2.473 -0.090) 2.474 4.971 ( 0.000 -1.550 1.170) 1.942 4.989 ( 0.000 -1.723 -0.381) 1.765 5.102 ( 0.000 -4.420 2.170) 4.923 5.152 ( 0.000 -5.339 -2.406) 5.856 7.666 ( 0.000 -4.680 3.481) 5.832 7.729 ( 0.000 -12.648 -2.122) 12.825 7.806 ( 0.000 -11.476 0.444) 11.485 7.837 ( 0.000 -2.104 -2.548) 3.304 7.846 ( 0.000 -12.018 1.370) 12.095 7.875 ( 0.000 -16.339 -1.952) 16.455 8.084 ( 0.000 -4.086 2.847) 4.980 8.134 ( 0.000 -4.142 -2.332) 4.753 8.244 ( 0.000 -4.176 1.397) 4.404 8.266 ( 0.000 -4.574 -0.857) 4.654 8.310 ( 0.000 -5.607 1.662) 5.849 8.344 ( 0.000 -6.274 -1.508) 6.453 ======================= Grid point 106 (38/56) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 2.016 15.012 8.754) 17.495 0.940 ( -1.171 16.777 5.987) 17.851 1.106 ( -3.864 15.267 -6.395) 16.997 1.146 ( 1.730 12.524 -7.878) 14.896 1.337 ( -2.553 10.240 5.100) 11.721 1.458 ( -0.434 12.866 -4.010) 13.484 1.515 ( 1.658 5.333 5.610) 7.916 1.595 ( -1.236 4.803 1.001) 5.060 1.728 ( 1.566 0.958 0.360) 1.871 1.776 ( -1.016 7.108 -3.026) 7.792 1.804 ( 1.259 5.856 2.636) 6.544 1.862 ( -0.623 8.321 3.041) 8.881 1.944 ( 1.989 10.777 -3.606) 11.537 1.981 ( 0.055 9.288 -9.562) 13.331 2.106 ( 1.678 6.825 -0.783) 7.071 2.139 ( 3.604 10.251 -3.350) 11.371 2.241 ( -6.652 -2.018 3.173) 7.642 2.315 ( -5.957 -3.570 -4.613) 8.338 2.419 ( 0.077 5.054 2.562) 5.667 2.450 ( -5.334 -0.092 -1.038) 5.435 2.534 ( 2.370 1.271 1.458) 3.059 2.564 ( 2.282 1.571 -1.492) 3.147 2.625 ( 2.937 0.021 4.646) 5.497 2.661 ( 2.619 -0.637 1.941) 3.322 2.745 ( 2.782 5.429 2.322) 6.527 2.769 ( -0.131 -0.445 1.850) 1.907 2.838 ( 4.430 2.919 2.332) 5.795 2.922 ( 1.922 -0.271 -4.622) 5.013 2.972 ( 7.902 0.095 1.768) 8.098 3.028 ( 3.166 1.633 -2.349) 4.267 3.067 ( -0.202 2.688 3.554) 4.460 3.144 ( -1.330 2.794 -3.545) 4.706 3.231 ( 1.461 13.113 0.726) 13.214 3.238 ( 0.649 16.547 0.087) 16.560 3.255 ( 0.137 16.174 0.282) 16.177 3.272 ( 0.784 8.252 -1.164) 8.371 3.881 ( 1.871 -2.531 2.187) 3.832 3.913 ( 0.178 -2.707 -0.902) 2.859 3.925 ( -0.032 -1.625 0.322) 1.657 3.930 ( -0.645 -1.860 -0.066) 1.969 4.111 ( 1.251 4.551 0.893) 4.804 4.128 ( -1.535 5.088 -0.512) 5.339 4.149 ( 2.509 4.454 2.321) 5.614 4.216 ( 1.217 -0.039 -3.220) 3.443 4.237 ( 0.477 1.391 0.049) 1.472 4.246 ( 0.855 0.104 -1.338) 1.591 4.267 ( 0.103 0.730 0.449) 0.863 4.277 ( -0.243 -0.133 -0.430) 0.511 4.365 ( -0.337 -1.185 0.194) 1.247 4.380 ( -1.696 -0.105 -1.229) 2.097 4.434 ( -0.173 -0.363 1.422) 1.477 4.452 ( 0.981 -0.242 -0.351) 1.070 4.539 ( 1.070 1.681 0.678) 2.105 4.542 ( 1.194 2.251 0.526) 2.602 4.551 ( 1.384 2.262 -0.487) 2.696 4.556 ( 1.156 2.542 -0.492) 2.836 4.985 ( 1.206 -2.050 0.672) 2.472 4.994 ( 0.877 -2.135 0.058) 2.309 5.095 ( -0.748 -4.373 2.212) 4.957 5.146 ( -0.649 -5.178 -2.472) 5.775 7.708 ( 3.743 -8.237 2.254) 9.325 7.744 ( 1.390 -14.013 -1.136) 14.128 7.812 ( 0.320 -13.651 1.244) 13.711 7.844 ( 0.907 -7.139 -0.012) 7.196 7.865 ( -0.569 -15.013 -1.301) 15.080 7.876 ( 3.364 -2.702 -2.065) 4.784 8.088 ( 0.355 -3.833 2.668) 4.684 8.137 ( 0.131 -4.427 -2.264) 4.974 8.243 ( -0.105 -4.206 1.225) 4.382 8.263 ( -0.331 -4.623 -0.773) 4.699 8.308 ( -0.216 -5.385 1.313) 5.547 8.335 ( -0.827 -5.755 -1.220) 5.941 ======================= Grid point 107 (39/56) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 4.947 13.850 5.022) 15.540 1.035 ( 5.697 9.661 0.910) 11.252 1.096 ( 4.229 12.064 -0.546) 12.795 1.214 ( 4.829 9.429 -6.593) 12.478 1.281 ( -3.542 10.410 2.222) 11.219 1.351 ( -7.702 6.601 -3.357) 10.685 1.520 ( -4.148 -0.500 7.511) 8.595 1.621 ( 0.015 3.694 -2.469) 4.443 1.683 ( -3.295 5.421 7.156) 9.563 1.741 ( -0.568 0.716 2.180) 2.364 1.785 ( -1.967 -0.748 -0.197) 2.113 1.836 ( -4.699 -2.374 -6.709) 8.528 1.962 ( 1.333 11.964 -3.328) 12.490 1.993 ( 1.213 6.062 -6.089) 8.678 2.036 ( -4.260 3.697 5.460) 7.851 2.146 ( -5.340 1.500 -4.266) 6.998 2.237 ( 5.871 7.690 3.321) 10.229 2.359 ( 8.532 10.434 -6.525) 14.974 2.370 ( -2.714 3.045 4.437) 6.027 2.458 ( 3.170 8.258 -2.196) 9.114 2.584 ( 1.474 -0.642 1.690) 2.333 2.607 ( 1.801 -0.657 -0.985) 2.155 2.687 ( 2.643 1.816 2.847) 4.288 2.736 ( 1.887 3.730 6.138) 7.426 2.744 ( 2.470 1.024 -0.917) 2.826 2.825 ( 3.326 6.076 -2.902) 7.510 2.920 ( 3.822 5.006 -0.598) 6.326 2.944 ( 1.263 3.167 -3.219) 4.689 3.029 ( -0.988 1.337 4.536) 4.831 3.074 ( 0.618 7.586 1.334) 7.727 3.086 ( 1.454 9.017 0.022) 9.134 3.107 ( -2.730 1.057 -2.961) 4.164 3.250 ( 1.061 13.095 0.323) 13.142 3.255 ( 0.736 17.790 -0.249) 17.807 3.265 ( 0.949 12.025 0.929) 12.098 3.285 ( 0.102 8.906 -0.815) 8.943 3.911 ( 0.159 -3.174 0.283) 3.190 3.914 ( 0.979 -2.855 0.072) 3.019 3.919 ( -0.349 -1.931 0.548) 2.037 3.930 ( 0.169 -1.559 -0.470) 1.637 4.115 ( 0.887 1.872 0.331) 2.098 4.128 ( 1.924 1.650 -0.858) 2.676 4.213 ( -0.185 -1.072 0.760) 1.327 4.226 ( -0.003 -0.012 -0.489) 0.489 4.251 ( 0.713 1.120 0.754) 1.527 4.262 ( 0.851 -1.948 0.100) 2.128 4.267 ( 0.135 1.401 -0.256) 1.430 4.277 ( 0.175 -0.171 -0.606) 0.653 4.355 ( 0.631 0.781 0.516) 1.129 4.373 ( 1.284 -0.469 -1.122) 1.769 4.422 ( -0.957 -0.588 1.519) 1.889 4.452 ( -0.970 -1.163 -1.413) 2.072 4.560 ( 1.075 3.368 0.904) 3.649 4.571 ( 0.643 3.163 -0.109) 3.230 4.572 ( 1.421 1.637 0.125) 2.172 4.581 ( 1.124 2.024 -0.691) 2.416 5.006 ( 1.313 -3.137 1.153) 3.591 5.029 ( 2.274 -3.278 -0.980) 4.108 5.075 ( -1.233 -4.059 2.318) 4.835 5.125 ( -1.676 -4.711 -2.304) 5.505 7.767 ( 2.012 -14.360 0.368) 14.504 7.773 ( 1.540 -14.985 -0.212) 15.065 7.808 ( -0.537 -15.871 1.151) 15.922 7.834 ( -1.430 -15.702 -1.231) 15.815 7.925 ( 5.959 -1.636 1.474) 6.352 7.961 ( 5.116 -1.843 -2.088) 5.825 8.088 ( -0.683 -3.687 2.080) 4.288 8.127 ( -1.577 -4.666 -1.714) 5.215 8.241 ( 0.015 -4.149 0.717) 4.211 8.254 ( -0.514 -4.536 -0.544) 4.598 8.303 ( -0.253 -5.010 0.677) 5.062 8.317 ( -0.949 -5.065 -0.687) 5.198 ======================= Grid point 108 (40/56) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -5.017 9.493 -0.523) 10.750 1.060 ( 5.017 9.493 -0.523) 10.750 1.224 ( -1.807 11.065 -2.075) 11.402 1.224 ( 1.807 11.065 -2.075) 11.402 1.245 ( -6.189 2.711 3.234) 7.491 1.245 ( 6.190 2.711 3.234) 7.492 1.494 ( -7.286 1.443 0.382) 7.437 1.494 ( 7.286 1.442 0.383) 7.437 1.721 ( -2.513 2.357 2.695) 4.374 1.721 ( 2.513 2.357 2.695) 4.374 1.769 ( -1.993 -2.191 0.763) 3.058 1.769 ( 1.993 -2.190 0.763) 3.058 1.984 ( -1.394 8.066 -3.065) 8.741 1.984 ( 1.394 8.066 -3.065) 8.741 2.056 ( -3.993 3.858 -4.379) 7.072 2.056 ( 3.993 3.858 -4.379) 7.072 2.320 ( -3.080 4.798 5.486) 7.913 2.320 ( 3.080 4.798 5.487) 7.913 2.482 ( -2.730 7.999 -4.162) 9.421 2.482 ( 2.730 7.999 -4.162) 9.421 2.604 ( -1.431 0.714 0.534) 1.686 2.604 ( 1.431 0.714 0.534) 1.686 2.726 ( -1.305 3.388 3.862) 5.301 2.726 ( 1.305 3.388 3.862) 5.301 2.828 ( -3.342 5.140 -3.256) 6.942 2.828 ( 3.342 5.140 -3.256) 6.942 2.963 ( -0.439 5.245 -1.229) 5.405 2.963 ( 0.439 5.245 -1.229) 5.405 3.042 ( -3.006 4.799 0.731) 5.710 3.042 ( 3.006 4.799 0.731) 5.710 3.080 ( -0.958 6.661 1.095) 6.818 3.080 ( 0.958 6.661 1.095) 6.818 3.269 ( -0.623 12.713 0.327) 12.733 3.269 ( 0.623 12.713 0.327) 12.732 3.274 ( -1.008 14.039 -0.110) 14.075 3.274 ( 1.008 14.038 -0.110) 14.075 3.912 ( -0.221 -2.889 0.546) 2.949 3.912 ( 0.221 -2.889 0.546) 2.949 3.929 ( -0.362 -2.310 -0.558) 2.404 3.929 ( 0.362 -2.310 -0.559) 2.404 4.154 ( -2.042 -1.238 0.312) 2.409 4.154 ( 2.042 -1.238 0.312) 2.409 4.198 ( -2.220 -1.156 -0.612) 2.577 4.198 ( 2.220 -1.156 -0.612) 2.577 4.257 ( -0.501 -0.079 0.520) 0.726 4.257 ( 0.501 -0.079 0.520) 0.726 4.275 ( -0.327 0.727 -0.263) 0.840 4.275 ( 0.327 0.727 -0.263) 0.840 4.396 ( -0.338 -0.335 0.133) 0.494 4.396 ( 0.338 -0.335 0.133) 0.494 4.417 ( -2.395 -0.049 -0.173) 2.402 4.417 ( 2.395 -0.049 -0.173) 2.402 4.574 ( -0.350 3.430 0.417) 3.473 4.574 ( 0.350 3.430 0.417) 3.473 4.589 ( -0.291 1.721 -0.341) 1.779 4.589 ( 0.291 1.721 -0.341) 1.779 5.035 ( -1.606 -4.129 1.148) 4.577 5.035 ( 1.606 -4.129 1.148) 4.577 5.086 ( -2.302 -3.831 -1.155) 4.616 5.086 ( 2.302 -3.831 -1.155) 4.616 7.790 ( -0.534 -14.709 0.448) 14.726 7.790 ( 0.534 -14.709 0.448) 14.726 7.807 ( -1.186 -16.442 -0.356) 16.488 7.807 ( 1.186 -16.442 -0.356) 16.489 8.022 ( -2.122 -2.268 -0.046) 3.106 8.022 ( 2.122 -2.268 -0.046) 3.106 8.077 ( -2.347 -3.973 -0.026) 4.614 8.077 ( 2.347 -3.973 -0.026) 4.614 8.245 ( -0.401 -4.336 0.010) 4.354 8.245 ( 0.401 -4.336 0.010) 4.354 8.303 ( -0.426 -4.782 -0.027) 4.801 8.303 ( 0.426 -4.782 -0.027) 4.801 ======================= Grid point 112 (41/56) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 0.000 13.072 5.813) 14.306 1.250 ( 0.000 10.924 -4.465) 11.801 1.394 ( 0.000 12.064 0.616) 12.080 1.399 ( 0.000 9.534 -0.060) 9.534 1.540 ( 0.000 7.713 4.663) 9.013 1.646 ( 0.000 4.227 -5.582) 7.002 1.716 ( 0.000 5.353 5.445) 7.636 1.798 ( 0.000 7.247 -0.924) 7.305 1.827 ( 0.000 7.290 -1.318) 7.408 1.831 ( 0.000 14.798 -1.836) 14.911 1.974 ( 0.000 2.721 0.823) 2.843 2.017 ( 0.000 3.281 -5.101) 6.065 2.026 ( 0.000 7.094 3.797) 8.047 2.129 ( 0.000 3.758 -5.644) 6.781 2.279 ( 0.000 -8.467 0.631) 8.490 2.291 ( 0.000 -1.918 -0.500) 1.982 2.342 ( 0.000 20.072 2.401) 20.215 2.356 ( 0.000 2.789 1.223) 3.046 2.435 ( 0.000 6.165 -3.429) 7.054 2.437 ( 0.000 -7.122 -2.430) 7.525 2.529 ( 0.000 1.086 1.541) 1.886 2.549 ( 0.000 0.765 1.573) 1.749 2.590 ( 0.000 2.368 4.255) 4.870 2.635 ( 0.000 1.579 -0.383) 1.625 2.722 ( 0.000 -0.635 1.975) 2.074 2.759 ( 0.000 0.228 2.124) 2.136 2.779 ( 0.000 2.247 -2.103) 3.078 2.836 ( 0.000 -3.248 -5.525) 6.409 2.975 ( 0.000 10.642 3.994) 11.367 3.021 ( 0.000 2.291 0.235) 2.303 3.050 ( 0.000 -1.446 3.284) 3.589 3.136 ( 0.000 -3.889 -4.223) 5.741 3.441 ( 0.000 8.161 2.047) 8.414 3.482 ( 0.000 8.989 -1.780) 9.163 3.568 ( 0.000 11.869 0.804) 11.896 3.581 ( 0.000 12.173 -0.467) 12.182 3.808 ( 0.000 -3.296 1.207) 3.510 3.842 ( 0.000 -3.823 -2.145) 4.384 3.893 ( 0.000 -1.793 0.388) 1.834 3.899 ( 0.000 -2.250 0.026) 2.250 4.124 ( 0.000 1.483 1.655) 2.222 4.164 ( 0.000 -1.943 -2.172) 2.914 4.227 ( 0.000 -2.986 0.984) 3.144 4.234 ( 0.000 0.761 0.736) 1.059 4.241 ( 0.000 -0.485 -0.528) 0.717 4.258 ( 0.000 0.276 -1.539) 1.564 4.312 ( 0.000 4.767 0.197) 4.771 4.315 ( 0.000 4.210 0.072) 4.211 4.383 ( 0.000 4.083 1.378) 4.310 4.417 ( 0.000 2.574 -1.887) 3.192 4.458 ( 0.000 1.508 0.261) 1.531 4.461 ( 0.000 1.949 -0.094) 1.951 4.556 ( 0.000 1.636 0.464) 1.700 4.567 ( 0.000 0.764 -0.467) 0.896 4.611 ( 0.000 6.360 0.855) 6.418 4.623 ( 0.000 5.802 -0.339) 5.812 4.994 ( 0.000 5.539 0.670) 5.579 5.005 ( 0.000 5.052 -0.278) 5.059 5.054 ( 0.000 1.416 1.611) 2.145 5.088 ( 0.000 0.955 -1.595) 1.859 7.430 ( 0.000 -16.338 0.192) 16.339 7.437 ( 0.000 -15.385 -0.584) 15.396 7.496 ( 0.000 -17.506 1.701) 17.588 7.526 ( 0.000 -18.921 -1.228) 18.961 7.808 ( 0.000 2.228 1.390) 2.626 7.845 ( 0.000 1.199 -2.189) 2.496 8.006 ( 0.000 -4.071 1.847) 4.470 8.037 ( 0.000 -6.038 -1.145) 6.145 8.128 ( 0.000 -7.434 0.080) 7.434 8.135 ( 0.000 -8.600 -0.520) 8.615 8.172 ( 0.000 -7.739 1.239) 7.838 8.194 ( 0.000 -8.583 -0.844) 8.625 ======================= Grid point 113 (42/56) ======================= q-point: ( 0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 2.999 12.572 5.159) 13.917 1.244 ( -1.227 12.654 -1.383) 12.788 1.370 ( -2.922 9.645 -0.839) 10.113 1.381 ( -0.576 12.711 -1.973) 12.876 1.538 ( -0.616 8.307 3.995) 9.238 1.601 ( -2.814 5.578 -1.089) 6.342 1.683 ( -7.233 5.974 2.254) 9.648 1.749 ( -3.053 2.357 -1.135) 4.021 1.768 ( -2.733 11.913 0.487) 12.233 1.836 ( -0.983 7.239 -1.449) 7.448 1.897 ( -6.478 3.516 -1.587) 7.540 1.926 ( -5.860 0.158 -2.606) 6.415 2.082 ( 0.093 2.922 1.233) 3.172 2.117 ( -0.956 2.245 -3.248) 4.062 2.161 ( -4.104 -1.199 2.294) 4.852 2.231 ( -4.082 -1.374 -3.596) 5.611 2.362 ( 1.965 12.633 2.673) 13.062 2.420 ( -0.177 -1.370 0.383) 1.433 2.465 ( 4.487 12.813 -1.063) 13.617 2.506 ( 5.938 2.200 -2.150) 6.688 2.551 ( 2.114 1.294 0.497) 2.528 2.567 ( 1.306 1.842 -0.901) 2.431 2.638 ( 4.358 2.383 3.871) 6.297 2.681 ( 4.229 2.869 0.158) 5.113 2.760 ( 0.717 -0.358 4.996) 5.060 2.828 ( 8.091 -2.326 0.321) 8.424 2.854 ( 6.210 2.047 -1.876) 6.803 2.890 ( 5.059 -3.769 -5.379) 8.290 3.018 ( 4.412 8.794 2.528) 10.158 3.047 ( 2.682 2.852 0.104) 3.916 3.064 ( 1.885 -1.781 3.660) 4.485 3.142 ( 0.730 -3.046 -3.647) 4.807 3.442 ( -0.043 8.025 1.841) 8.233 3.478 ( -0.434 8.778 -1.622) 8.937 3.562 ( -0.800 10.706 1.114) 10.794 3.581 ( -0.240 11.748 -0.723) 11.773 3.821 ( 1.256 -3.529 0.781) 3.826 3.845 ( 0.194 -3.962 -1.620) 4.284 3.891 ( -0.049 -1.719 0.511) 1.794 3.898 ( 0.044 -1.600 0.041) 1.601 4.149 ( 1.924 -0.649 0.590) 2.114 4.167 ( 0.103 -2.472 -1.218) 2.757 4.215 ( -1.612 -1.321 0.949) 2.289 4.227 ( -1.225 1.151 -0.312) 1.710 4.243 ( 0.183 -0.006 0.434) 0.471 4.257 ( -0.006 0.473 -1.142) 1.236 4.293 ( -1.138 3.915 0.458) 4.102 4.299 ( -0.855 4.361 -0.082) 4.445 4.387 ( 0.397 3.689 0.698) 3.775 4.410 ( -0.515 2.929 -1.600) 3.377 4.452 ( -0.542 2.050 0.548) 2.190 4.459 ( -0.180 1.684 -0.024) 1.693 4.568 ( 1.264 1.023 0.710) 1.774 4.585 ( 1.596 0.961 -0.883) 2.062 4.621 ( 0.855 5.657 0.790) 5.776 4.633 ( 0.776 5.078 -0.356) 5.150 4.998 ( 0.171 5.082 0.265) 5.092 5.003 ( 0.014 4.570 -0.067) 4.571 5.050 ( -0.316 1.860 1.784) 2.596 5.087 ( -0.183 1.261 -1.680) 2.108 7.438 ( 0.754 -16.627 0.138) 16.645 7.444 ( 0.580 -16.078 -0.501) 16.096 7.494 ( -0.215 -17.310 1.552) 17.381 7.521 ( -0.456 -18.296 -1.152) 18.338 7.836 ( 2.870 1.476 1.393) 3.515 7.871 ( 2.610 0.445 -1.984) 3.309 8.011 ( 0.365 -4.143 1.583) 4.450 8.038 ( -0.013 -5.876 -1.041) 5.968 8.126 ( -0.141 -7.522 0.059) 7.523 8.132 ( -0.274 -8.500 -0.423) 8.515 8.172 ( -0.060 -7.855 1.112) 7.933 8.191 ( -0.241 -8.394 -0.782) 8.434 ======================= Grid point 114 (43/56) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -1.479 13.747 2.684) 14.084 1.242 ( 2.929 10.532 0.728) 10.956 1.310 ( -1.383 9.056 2.359) 9.460 1.398 ( 1.540 9.984 -4.439) 11.034 1.493 ( -4.584 8.608 3.205) 10.266 1.539 ( -5.433 9.809 -2.476) 11.483 1.556 ( -2.908 6.306 2.365) 7.336 1.627 ( -7.315 -1.529 -4.386) 8.665 1.759 ( -0.067 5.030 3.893) 6.361 1.777 ( -2.293 6.657 1.946) 7.305 1.823 ( -2.882 2.789 -0.483) 4.040 1.828 ( -3.038 3.038 -0.980) 4.407 2.079 ( 0.668 2.809 -1.328) 3.178 2.108 ( -0.223 3.092 -3.548) 4.712 2.123 ( -1.187 2.435 -0.515) 2.758 2.168 ( -2.764 1.194 -4.831) 5.693 2.394 ( 1.310 7.341 3.988) 8.456 2.416 ( -0.155 2.464 3.612) 4.375 2.542 ( 3.430 4.823 0.612) 5.950 2.581 ( 1.540 0.706 0.250) 1.712 2.599 ( 2.621 3.597 -2.400) 5.056 2.604 ( 2.250 3.449 -2.199) 4.668 2.709 ( 2.640 1.289 1.501) 3.299 2.736 ( 0.843 -1.113 -0.282) 1.424 2.824 ( 6.075 5.951 5.890) 10.344 2.944 ( 3.951 3.729 -5.310) 7.597 2.955 ( 2.286 -2.106 0.275) 3.120 2.972 ( 3.281 -0.876 -2.099) 3.992 3.093 ( 3.212 4.156 2.549) 5.839 3.117 ( 5.024 5.461 0.041) 7.421 3.149 ( 5.064 0.950 1.817) 5.463 3.182 ( 3.753 -0.626 -1.749) 4.188 3.441 ( 0.195 7.427 1.183) 7.523 3.468 ( -0.262 7.781 -1.398) 7.910 3.530 ( -2.776 7.359 1.533) 8.013 3.560 ( -2.313 9.104 -1.305) 9.484 3.844 ( 1.143 -3.181 0.770) 3.467 3.862 ( 1.758 -2.181 -0.856) 2.929 3.890 ( -0.328 -1.138 0.670) 1.361 3.902 ( 0.132 -1.379 -0.462) 1.460 4.155 ( -1.239 -2.234 0.498) 2.603 4.169 ( -0.144 -3.029 -0.722) 3.117 4.169 ( -2.621 0.745 0.907) 2.872 4.186 ( -2.292 1.200 -0.694) 2.678 4.249 ( 0.487 0.500 0.032) 0.699 4.259 ( 0.109 0.276 -0.675) 0.737 4.294 ( 0.795 2.631 0.513) 2.796 4.300 ( 0.559 2.473 0.018) 2.535 4.400 ( 0.995 3.278 0.238) 3.434 4.410 ( 0.716 3.418 -0.655) 3.553 4.442 ( -0.454 2.547 0.683) 2.676 4.454 ( -0.384 1.719 -0.412) 1.809 4.598 ( 1.658 1.008 0.732) 2.074 4.615 ( 1.300 1.435 -0.892) 2.132 4.634 ( 0.427 4.105 0.507) 4.158 4.642 ( 0.076 3.579 -0.203) 3.585 4.997 ( 0.011 4.086 0.636) 4.135 5.008 ( 0.044 2.779 -0.340) 2.800 5.047 ( 0.245 3.371 1.331) 3.633 5.079 ( -0.747 2.116 -1.549) 2.727 7.453 ( 0.600 -17.733 0.040) 17.743 7.455 ( 0.542 -17.408 -0.220) 17.417 7.491 ( 0.081 -16.426 1.075) 16.461 7.511 ( -0.603 -16.848 -0.859) 16.881 7.906 ( 4.221 -0.714 1.080) 4.415 7.932 ( 3.478 -1.366 -1.356) 3.975 8.012 ( -0.486 -4.125 0.987) 4.269 8.030 ( -1.054 -5.247 -0.737) 5.403 8.124 ( -0.072 -7.594 0.032) 7.594 8.127 ( -0.240 -8.178 -0.229) 8.184 8.170 ( -0.045 -8.056 0.741) 8.090 8.184 ( -0.541 -8.131 -0.570) 8.169 ======================= Grid point 115 (44/56) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -2.473 8.669 1.550) 9.147 1.218 ( 2.473 8.669 1.550) 9.147 1.372 ( -4.243 8.433 2.375) 9.734 1.372 ( 4.243 8.433 2.375) 9.734 1.462 ( -1.682 9.692 -4.141) 10.673 1.462 ( 1.682 9.692 -4.141) 10.673 1.535 ( -2.093 6.347 0.526) 6.704 1.535 ( 2.093 6.347 0.526) 6.704 1.777 ( -0.485 4.277 1.425) 4.534 1.777 ( 0.485 4.277 1.425) 4.534 1.781 ( -0.512 3.234 1.371) 3.550 1.781 ( 0.512 3.234 1.371) 3.550 2.098 ( -1.018 2.514 -3.229) 4.217 2.098 ( 1.018 2.514 -3.229) 4.217 2.124 ( -1.637 2.902 -3.087) 4.542 2.124 ( 1.637 2.902 -3.087) 4.542 2.411 ( -0.512 4.833 4.262) 6.464 2.411 ( 0.512 4.833 4.262) 6.464 2.586 ( -1.096 1.008 1.124) 1.866 2.586 ( 1.096 1.008 1.124) 1.866 2.626 ( -0.095 3.865 -2.190) 4.443 2.626 ( 0.095 3.865 -2.190) 4.443 2.737 ( -0.553 -0.929 0.521) 1.200 2.737 ( 0.553 -0.929 0.521) 1.200 2.927 ( -4.092 3.185 1.676) 5.449 2.927 ( 4.092 3.185 1.676) 5.449 2.992 ( -1.058 0.435 -3.318) 3.509 2.992 ( 1.058 0.435 -3.318) 3.509 3.157 ( -1.997 4.509 2.375) 5.474 3.157 ( 1.997 4.509 2.375) 5.474 3.214 ( -1.712 5.372 -0.839) 5.700 3.214 ( 1.712 5.372 -0.839) 5.700 3.467 ( -2.830 4.967 1.245) 5.850 3.467 ( 2.830 4.967 1.245) 5.851 3.500 ( -3.301 6.371 -1.485) 7.327 3.500 ( 3.301 6.371 -1.485) 7.327 3.872 ( -1.512 -1.061 1.014) 2.107 3.872 ( 1.512 -1.061 1.014) 2.107 3.893 ( -1.189 -1.316 -0.835) 1.960 3.893 ( 1.189 -1.316 -0.835) 1.960 4.140 ( -0.215 -0.715 1.060) 1.297 4.140 ( 0.215 -0.715 1.060) 1.297 4.163 ( -0.192 -1.754 -0.974) 2.016 4.163 ( 0.192 -1.754 -0.974) 2.015 4.258 ( -0.296 0.746 -0.221) 0.833 4.258 ( 0.296 0.746 -0.221) 0.833 4.304 ( -0.214 2.201 -0.011) 2.212 4.304 ( 0.214 2.201 -0.011) 2.212 4.418 ( -0.502 2.497 0.468) 2.590 4.418 ( 0.502 2.497 0.468) 2.590 4.442 ( -0.719 2.631 -0.344) 2.749 4.442 ( 0.719 2.631 -0.344) 2.749 4.623 ( -0.728 1.974 0.113) 2.107 4.623 ( 0.728 1.974 0.113) 2.107 4.638 ( -0.271 2.646 -0.045) 2.660 4.638 ( 0.271 2.646 -0.045) 2.660 5.002 ( -0.468 2.749 0.578) 2.848 5.002 ( 0.468 2.749 0.578) 2.848 5.061 ( -1.030 3.302 -0.600) 3.511 5.061 ( 1.030 3.302 -0.600) 3.511 7.459 ( -0.117 -18.405 0.077) 18.405 7.459 ( 0.117 -18.405 0.077) 18.405 7.499 ( -0.657 -15.789 -0.040) 15.802 7.499 ( 0.657 -15.789 -0.040) 15.802 7.975 ( -1.788 -2.660 0.144) 3.208 7.975 ( 1.788 -2.660 0.144) 3.208 7.998 ( -1.475 -4.028 -0.145) 4.292 7.998 ( 1.475 -4.028 -0.145) 4.292 8.124 ( -0.085 -7.758 -0.040) 7.759 8.124 ( 0.085 -7.758 -0.040) 7.759 8.174 ( -0.437 -8.093 0.004) 8.105 8.174 ( 0.437 -8.093 0.004) 8.105 ======================= Grid point 119 (45/56) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 0.000 8.691 3.105) 9.229 1.426 ( 0.000 7.116 -3.826) 8.080 1.543 ( 0.000 5.675 0.147) 5.676 1.552 ( 0.000 3.835 0.292) 3.846 1.663 ( 0.000 2.907 1.357) 3.208 1.667 ( 0.000 -1.168 -0.204) 1.186 1.810 ( 0.000 3.804 3.177) 4.956 1.894 ( 0.000 6.602 -2.611) 7.100 1.931 ( 0.000 -2.754 3.836) 4.722 2.011 ( 0.000 -2.027 -3.343) 3.909 2.035 ( 0.000 4.751 -0.098) 4.752 2.048 ( 0.000 0.866 2.949) 3.073 2.115 ( 0.000 1.570 -2.165) 2.674 2.162 ( 0.000 -7.536 -3.980) 8.523 2.223 ( 0.000 11.242 1.370) 11.325 2.239 ( 0.000 7.538 -0.495) 7.554 2.258 ( 0.000 0.001 1.886) 1.886 2.324 ( 0.000 -5.000 -4.417) 6.672 2.551 ( 0.000 1.362 1.688) 2.169 2.570 ( 0.000 1.153 0.941) 1.488 2.647 ( 0.000 0.401 3.734) 3.756 2.669 ( 0.000 4.757 1.790) 5.083 2.697 ( 0.000 10.990 1.946) 11.161 2.721 ( 0.000 3.703 0.789) 3.786 2.741 ( 0.000 1.171 2.885) 3.114 2.753 ( 0.000 7.315 -2.751) 7.815 2.756 ( 0.000 -2.581 -3.038) 3.986 2.857 ( 0.000 3.532 -6.033) 6.991 2.975 ( 0.000 -3.341 2.411) 4.120 3.027 ( 0.000 -6.456 -2.459) 6.909 3.135 ( 0.000 8.005 3.581) 8.770 3.197 ( 0.000 11.615 -2.353) 11.851 3.492 ( 0.000 -1.956 2.042) 2.827 3.530 ( 0.000 -3.658 -1.613) 3.998 3.621 ( 0.000 -5.692 1.605) 5.914 3.645 ( 0.000 -4.796 -0.647) 4.839 3.744 ( 0.000 -3.103 0.205) 3.110 3.763 ( 0.000 -4.280 -1.960) 4.708 3.855 ( 0.000 -1.875 1.010) 2.129 3.865 ( 0.000 -0.618 -0.089) 0.624 4.113 ( 0.000 -2.930 0.456) 2.966 4.121 ( 0.000 -1.458 -0.264) 1.482 4.142 ( 0.000 -3.776 1.332) 4.004 4.178 ( 0.000 -4.035 -2.088) 4.543 4.278 ( 0.000 2.536 0.450) 2.576 4.288 ( 0.000 1.724 -0.479) 1.789 4.379 ( 0.000 2.256 0.546) 2.321 4.390 ( 0.000 2.599 -0.571) 2.661 4.446 ( 0.000 -1.607 0.759) 1.777 4.465 ( 0.000 0.416 -0.849) 0.945 4.482 ( 0.000 2.571 0.538) 2.627 4.497 ( 0.000 3.561 -0.840) 3.658 4.584 ( 0.000 1.717 1.131) 2.056 4.600 ( 0.000 2.725 -0.380) 2.751 4.736 ( 0.000 5.001 0.325) 5.012 4.742 ( 0.000 5.586 -0.277) 5.593 5.206 ( 0.000 16.652 0.878) 16.675 5.225 ( 0.000 17.884 -0.907) 17.907 5.252 ( 0.000 17.921 0.705) 17.934 5.264 ( 0.000 17.021 -0.464) 17.028 7.117 ( 0.000 -15.962 0.502) 15.970 7.130 ( 0.000 -16.098 -0.722) 16.114 7.154 ( 0.000 -19.368 0.085) 19.368 7.154 ( 0.000 -17.805 0.118) 17.806 7.854 ( 0.000 1.159 0.526) 1.273 7.869 ( 0.000 0.617 -0.979) 1.157 7.885 ( 0.000 -8.684 1.033) 8.746 7.903 ( 0.000 -7.604 -0.650) 7.632 7.979 ( 0.000 -5.289 0.945) 5.373 8.000 ( 0.000 -5.122 -1.008) 5.220 8.035 ( 0.000 -5.936 0.060) 5.936 8.035 ( 0.000 -7.196 0.027) 7.196 ======================= Grid point 120 (46/56) ======================= q-point: ( 0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 1.665 7.849 2.743) 8.480 1.426 ( -0.014 6.662 -2.346) 7.063 1.508 ( -2.722 5.213 1.772) 6.142 1.555 ( -0.649 3.901 -2.701) 4.789 1.637 ( -2.101 0.652 1.794) 2.838 1.663 ( -0.224 2.013 0.343) 2.054 1.769 ( -3.866 4.054 0.781) 5.656 1.819 ( -6.040 5.620 -3.090) 8.810 1.895 ( -1.807 3.904 3.840) 5.767 1.953 ( -3.205 3.120 -0.710) 4.529 2.009 ( -1.631 6.935 2.871) 7.681 2.069 ( -3.089 5.661 0.199) 6.452 2.112 ( 1.760 1.634 -2.044) 3.154 2.173 ( -1.765 2.744 -3.483) 4.773 2.189 ( -3.145 9.877 0.483) 10.377 2.214 ( -1.837 3.055 -3.128) 4.743 2.339 ( 7.547 -5.829 3.079) 10.021 2.406 ( 6.456 -4.694 -3.312) 8.642 2.548 ( -0.126 -0.601 1.240) 1.384 2.574 ( 0.278 -0.354 0.061) 0.454 2.591 ( -2.099 4.965 3.871) 6.636 2.640 ( -0.504 3.225 -0.858) 3.375 2.714 ( -0.496 -0.130 1.131) 1.242 2.735 ( 2.647 1.961 1.108) 3.475 2.776 ( 2.962 -1.500 -0.062) 3.321 2.818 ( 5.524 -1.524 -3.237) 6.582 2.846 ( 6.328 8.086 3.203) 10.756 2.927 ( 5.615 3.138 -4.586) 7.900 2.999 ( 2.382 -3.093 1.936) 4.358 3.045 ( 2.015 -5.788 -2.192) 6.509 3.157 ( 2.431 8.352 3.805) 9.495 3.224 ( 2.699 10.362 -2.640) 11.028 3.490 ( -0.239 -2.181 1.886) 2.893 3.525 ( -0.659 -3.615 -1.497) 3.968 3.591 ( -2.950 -6.392 2.221) 7.381 3.632 ( -1.975 -5.804 -1.648) 6.348 3.756 ( 1.427 -2.755 0.283) 3.116 3.773 ( 1.499 -3.278 -1.491) 3.901 3.857 ( 0.224 -1.618 0.956) 1.893 3.866 ( 0.174 -1.065 -0.013) 1.079 4.109 ( -0.395 -2.823 0.487) 2.892 4.118 ( -0.383 -2.039 -0.323) 2.100 4.143 ( -0.066 -3.821 1.305) 4.038 4.177 ( -0.247 -3.864 -1.957) 4.338 4.286 ( 0.817 2.608 0.185) 2.739 4.292 ( 0.436 1.960 -0.411) 2.049 4.370 ( -0.902 2.886 0.915) 3.159 4.385 ( -0.735 3.197 -0.500) 3.318 4.455 ( 0.877 0.068 0.241) 0.912 4.463 ( -0.024 2.204 -0.389) 2.239 4.483 ( 0.188 1.783 0.487) 1.857 4.497 ( -0.053 2.814 -0.619) 2.882 4.589 ( 0.668 1.166 0.922) 1.629 4.606 ( 0.659 1.905 -0.637) 2.114 4.728 ( -0.874 4.164 0.360) 4.270 4.734 ( -0.931 4.591 -0.244) 4.690 5.204 ( -0.115 17.072 0.904) 17.097 5.224 ( -0.166 17.932 -0.932) 17.957 5.251 ( 0.077 17.803 0.838) 17.822 5.267 ( 0.200 16.907 -0.650) 16.921 7.113 ( -0.347 -16.838 0.234) 16.843 7.120 ( -0.780 -17.414 -0.433) 17.437 7.156 ( 0.662 -17.381 0.800) 17.412 7.171 ( 0.949 -17.811 -0.613) 17.847 7.864 ( 1.038 0.465 0.620) 1.296 7.880 ( 1.084 -0.374 -0.947) 1.487 7.894 ( 0.891 -8.106 0.866) 8.201 7.910 ( 0.679 -7.286 -0.586) 7.341 7.977 ( -0.222 -5.438 0.756) 5.495 7.994 ( -0.593 -5.322 -0.833) 5.419 8.031 ( -0.424 -6.166 0.234) 6.185 8.035 ( -0.140 -7.160 -0.153) 7.163 ======================= Grid point 121 (47/56) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -0.011 5.910 1.966) 6.229 1.424 ( -0.289 7.904 -0.354) 7.917 1.471 ( 0.080 7.697 3.073) 8.289 1.549 ( 1.144 4.661 -4.300) 6.444 1.591 ( -3.156 3.390 3.463) 5.783 1.665 ( -0.072 2.964 -1.994) 3.573 1.693 ( -3.897 8.810 -1.639) 9.772 1.719 ( -3.947 9.120 -2.458) 10.237 1.878 ( -0.081 5.796 3.226) 6.634 1.906 ( -1.471 6.448 0.827) 6.665 1.966 ( -2.787 11.367 2.598) 11.988 1.993 ( -4.347 11.343 1.747) 12.272 2.112 ( -0.924 -1.577 0.165) 1.835 2.134 ( -1.633 2.233 -0.405) 2.796 2.157 ( -0.232 5.702 -3.683) 6.792 2.183 ( -1.327 1.014 -5.783) 6.019 2.455 ( 3.742 -0.126 1.988) 4.239 2.483 ( 1.341 0.210 -0.992) 1.681 2.553 ( 1.390 -1.435 2.522) 3.218 2.598 ( 1.104 1.364 3.797) 4.183 2.602 ( 2.824 -2.845 -0.260) 4.017 2.647 ( 0.694 -0.273 -2.131) 2.257 2.703 ( -0.021 -1.728 0.819) 1.912 2.754 ( -0.687 0.763 -2.916) 3.092 2.865 ( 5.144 -2.946 2.944) 6.618 2.920 ( 3.010 -0.042 0.080) 3.011 2.950 ( 5.640 1.692 -0.201) 5.892 3.012 ( 2.462 1.833 -3.535) 4.682 3.069 ( 5.705 -4.722 2.028) 7.678 3.109 ( 5.001 -4.880 -1.692) 7.190 3.211 ( 2.221 5.881 3.457) 7.174 3.274 ( 1.291 5.305 -2.565) 6.032 3.478 ( -1.359 -3.670 0.965) 4.031 3.492 ( -2.588 -4.936 0.036) 5.573 3.536 ( -1.970 -3.794 1.140) 4.425 3.570 ( -3.891 -5.715 -1.816) 7.148 3.799 ( 2.899 -1.778 0.651) 3.463 3.817 ( 2.677 -2.649 -1.115) 3.927 3.861 ( 0.070 -1.682 0.685) 1.817 3.868 ( -0.116 -1.946 0.089) 1.952 4.101 ( -0.168 -2.331 0.550) 2.401 4.111 ( -0.034 -2.162 -0.363) 2.193 4.134 ( -0.933 -3.107 1.067) 3.415 4.161 ( -1.577 -2.609 -1.450) 3.376 4.302 ( 0.685 3.108 -0.222) 3.190 4.305 ( 0.840 2.980 -0.491) 3.135 4.352 ( -0.785 2.515 0.937) 2.797 4.362 ( -1.371 3.262 -0.082) 3.539 4.467 ( 0.419 3.183 0.200) 3.216 4.471 ( 0.511 2.850 -0.104) 2.898 4.490 ( 0.511 1.851 0.177) 1.929 4.497 ( 0.077 2.338 -0.345) 2.364 4.614 ( 1.951 0.368 0.587) 2.071 4.627 ( 1.645 0.364 -0.708) 1.828 4.702 ( -1.822 2.237 0.244) 2.895 4.706 ( -2.015 2.535 -0.107) 3.240 5.204 ( 0.107 17.826 0.828) 17.846 5.217 ( -0.453 18.279 -0.338) 18.288 5.256 ( 0.405 17.348 0.312) 17.356 5.269 ( -0.073 16.827 -0.734) 16.843 7.106 ( -0.364 -17.814 0.015) 17.818 7.107 ( -0.510 -18.227 -0.086) 18.234 7.172 ( 0.916 -16.673 0.624) 16.710 7.185 ( 0.451 -17.164 -0.544) 17.179 7.889 ( 1.466 -1.614 0.678) 2.283 7.904 ( 1.277 -2.452 -0.765) 2.869 7.911 ( 0.736 -6.398 0.586) 6.467 7.924 ( 0.572 -6.021 -0.483) 6.067 7.974 ( -0.041 -5.922 0.313) 5.930 7.982 ( -0.538 -5.771 -0.484) 5.816 8.020 ( -0.568 -6.597 0.430) 6.636 8.028 ( -0.583 -7.284 -0.309) 7.314 ======================= Grid point 122 (48/56) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -1.103 8.846 0.981) 8.969 1.403 ( 1.103 8.846 0.981) 8.969 1.519 ( -3.908 7.101 3.740) 8.926 1.519 ( 3.908 7.101 3.740) 8.926 1.604 ( -4.186 6.917 -4.560) 9.282 1.604 ( 4.186 6.917 -4.560) 9.282 1.678 ( -0.797 6.370 -1.505) 6.594 1.678 ( 0.797 6.370 -1.505) 6.594 1.892 ( -1.075 7.647 1.522) 7.871 1.892 ( 1.075 7.647 1.523) 7.871 1.935 ( -0.965 11.341 2.913) 11.749 1.935 ( 0.965 11.341 2.913) 11.749 2.110 ( -0.777 -1.160 0.326) 1.434 2.110 ( 0.777 -1.160 0.326) 1.434 2.164 ( -0.717 3.218 -5.328) 6.265 2.164 ( 0.717 3.218 -5.328) 6.265 2.487 ( -0.482 1.293 -0.010) 1.380 2.487 ( 0.482 1.293 -0.010) 1.380 2.592 ( -1.681 0.535 4.677) 4.999 2.592 ( 1.681 0.535 4.677) 4.999 2.645 ( -1.126 -2.563 -0.602) 2.864 2.645 ( 1.126 -2.563 -0.602) 2.864 2.725 ( -1.999 -0.995 -2.497) 3.350 2.725 ( 1.999 -0.995 -2.497) 3.350 2.930 ( -1.548 -0.931 2.122) 2.787 2.930 ( 1.548 -0.931 2.122) 2.787 3.020 ( -1.491 1.226 -2.470) 3.135 3.020 ( 1.491 1.226 -2.470) 3.135 3.185 ( -4.063 -1.838 1.808) 4.812 3.185 ( 4.063 -1.838 1.808) 4.812 3.227 ( -5.107 -4.280 -0.820) 6.714 3.227 ( 5.107 -4.280 -0.820) 6.714 3.463 ( -0.761 -3.096 -0.182) 3.193 3.463 ( 0.761 -3.096 -0.182) 3.193 3.522 ( -0.795 -2.661 -0.136) 2.781 3.522 ( 0.795 -2.661 -0.136) 2.781 3.845 ( -1.230 -1.880 0.222) 2.257 3.845 ( 1.230 -1.880 0.222) 2.257 3.859 ( -0.699 -2.414 0.030) 2.513 3.859 ( 0.699 -2.414 0.030) 2.513 4.111 ( -1.179 -1.961 0.677) 2.386 4.111 ( 1.179 -1.961 0.676) 2.386 4.126 ( -1.671 -1.554 -0.707) 2.389 4.126 ( 1.671 -1.554 -0.707) 2.389 4.312 ( -0.213 4.006 -0.524) 4.046 4.312 ( 0.213 4.006 -0.524) 4.046 4.346 ( -0.215 1.637 0.466) 1.716 4.346 ( 0.215 1.637 0.466) 1.716 4.473 ( -0.155 3.063 0.269) 3.078 4.473 ( 0.155 3.063 0.269) 3.078 4.497 ( -0.143 2.646 -0.241) 2.661 4.497 ( 0.143 2.646 -0.241) 2.661 4.657 ( -1.764 1.039 0.103) 2.050 4.657 ( 1.764 1.039 0.103) 2.050 4.667 ( -1.349 0.274 -0.120) 1.382 4.667 ( 1.349 0.274 -0.120) 1.382 5.209 ( -0.411 18.331 0.415) 18.341 5.209 ( 0.411 18.331 0.415) 18.341 5.264 ( -0.380 16.974 -0.402) 16.983 5.264 ( 0.380 16.974 -0.402) 16.983 7.102 ( -0.013 -18.284 -0.008) 18.284 7.102 ( 0.013 -18.284 -0.008) 18.284 7.186 ( -0.380 -16.767 0.021) 16.771 7.186 ( 0.380 -16.767 0.021) 16.771 7.911 ( -0.691 -4.492 0.535) 4.576 7.911 ( 0.691 -4.492 0.535) 4.576 7.924 ( -0.575 -3.771 -0.533) 3.852 7.924 ( 0.575 -3.771 -0.533) 3.852 7.976 ( -0.213 -6.228 -0.018) 6.231 7.976 ( 0.213 -6.228 -0.018) 6.231 8.017 ( -0.349 -7.209 -0.001) 7.217 8.017 ( 0.349 -7.209 -0.001) 7.217 ======================= Grid point 126 (49/56) ======================= q-point: ( 0.00 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 0.000 4.590 2.244) 5.109 1.528 ( 0.000 3.658 -2.383) 4.366 1.561 ( 0.000 -1.875 0.946) 2.100 1.610 ( 0.000 -0.811 -3.823) 3.908 1.628 ( 0.000 -2.177 1.817) 2.835 1.651 ( 0.000 -2.171 -0.334) 2.196 1.719 ( 0.000 -4.608 4.559) 6.482 1.841 ( 0.000 -7.707 -6.843) 10.307 1.975 ( 0.000 0.312 5.328) 5.337 2.009 ( 0.000 -1.011 3.245) 3.399 2.107 ( 0.000 3.052 1.853) 3.571 2.120 ( 0.000 9.241 2.129) 9.483 2.165 ( 0.000 6.025 -1.432) 6.193 2.223 ( 0.000 0.737 -7.159) 7.197 2.239 ( 0.000 4.662 0.805) 4.731 2.264 ( 0.000 5.777 -1.293) 5.920 2.409 ( 0.000 3.579 2.133) 4.166 2.455 ( 0.000 7.163 -2.214) 7.497 2.550 ( 0.000 -3.174 1.825) 3.662 2.555 ( 0.000 -1.726 3.091) 3.540 2.631 ( 0.000 0.734 0.637) 0.971 2.632 ( 0.000 -6.697 -1.490) 6.861 2.725 ( 0.000 1.309 -0.221) 1.327 2.745 ( 0.000 1.527 -1.814) 2.371 2.784 ( 0.000 0.632 0.068) 0.636 2.802 ( 0.000 1.580 -1.944) 2.505 2.862 ( 0.000 -1.892 0.936) 2.111 2.884 ( 0.000 2.587 -1.060) 2.796 2.957 ( 0.000 0.486 0.821) 0.954 2.971 ( 0.000 1.077 -1.014) 1.479 3.315 ( 0.000 6.437 0.301) 6.444 3.339 ( 0.000 -0.571 -1.846) 1.932 3.415 ( 0.000 -7.997 1.904) 8.220 3.429 ( 0.000 -3.507 1.323) 3.748 3.488 ( 0.000 -6.472 -0.113) 6.473 3.503 ( 0.000 1.192 -0.949) 1.524 3.696 ( 0.000 -1.698 -0.029) 1.698 3.699 ( 0.000 -2.107 -0.372) 2.140 3.834 ( 0.000 -0.464 1.464) 1.536 3.859 ( 0.000 -0.686 -0.832) 1.078 4.071 ( 0.000 -0.726 0.190) 0.751 4.084 ( 0.000 -1.483 -1.008) 1.793 4.097 ( 0.000 -1.368 1.183) 1.809 4.119 ( 0.000 -2.224 -0.929) 2.410 4.308 ( 0.000 0.555 0.300) 0.631 4.313 ( 0.000 1.276 -0.148) 1.284 4.387 ( 0.000 -2.382 -0.198) 2.390 4.394 ( 0.000 -2.926 -1.045) 3.107 4.423 ( 0.000 0.878 1.286) 1.557 4.440 ( 0.000 -0.025 -0.169) 0.171 4.545 ( 0.000 2.490 0.638) 2.570 4.555 ( 0.000 2.036 -0.178) 2.043 4.621 ( 0.000 1.681 1.005) 1.958 4.640 ( 0.000 1.107 -0.767) 1.347 4.807 ( 0.000 2.497 0.301) 2.515 4.814 ( 0.000 2.202 -0.313) 2.224 5.597 ( 0.000 20.611 1.019) 20.637 5.619 ( 0.000 20.082 -1.097) 20.112 5.645 ( 0.000 20.420 0.528) 20.427 5.654 ( 0.000 20.582 -0.346) 20.585 6.788 ( 0.000 -17.758 0.929) 17.782 6.808 ( 0.000 -17.373 -1.024) 17.403 6.816 ( 0.000 -14.699 0.427) 14.705 6.824 ( 0.000 -15.008 -0.359) 15.012 7.717 ( 0.000 -6.563 0.778) 6.609 7.734 ( 0.000 -7.259 -0.836) 7.307 7.853 ( 0.000 -2.172 0.507) 2.230 7.864 ( 0.000 -2.567 -0.467) 2.609 7.925 ( 0.000 -0.955 0.651) 1.156 7.941 ( 0.000 -1.140 -0.894) 1.449 7.948 ( 0.000 -1.331 0.506) 1.424 7.957 ( 0.000 -1.950 -0.307) 1.974 ======================= Grid point 127 (50/56) ======================= q-point: ( 0.17 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 0.091 3.921 2.698) 4.761 1.525 ( -0.102 3.681 -1.797) 4.097 1.569 ( 1.321 2.041 0.771) 2.551 1.592 ( -0.009 1.579 -0.240) 1.597 1.640 ( -0.515 -0.305 -0.217) 0.637 1.666 ( 1.966 -0.931 -3.233) 3.897 1.766 ( 4.366 -3.959 2.767) 6.510 1.843 ( 0.419 -2.239 -4.588) 5.122 1.978 ( 0.670 0.803 7.072) 7.148 2.068 ( -0.132 -0.301 5.789) 5.798 2.093 ( 1.041 5.962 -1.532) 6.243 2.129 ( 1.617 4.144 1.110) 4.585 2.145 ( -0.783 3.867 -2.682) 4.771 2.205 ( -1.119 4.360 -3.754) 5.861 2.289 ( 4.503 0.953 -0.649) 4.648 2.300 ( 3.356 2.460 -2.344) 4.776 2.401 ( -1.103 5.162 0.815) 5.342 2.418 ( -3.699 7.543 -0.848) 8.444 2.520 ( -2.197 -1.997 2.358) 3.791 2.556 ( -1.432 1.196 0.094) 1.868 2.606 ( -0.798 -2.287 2.755) 3.668 2.664 ( 0.009 -3.645 -2.986) 4.712 2.701 ( -3.567 0.378 0.329) 3.602 2.720 ( -1.318 -2.786 -0.619) 3.144 2.771 ( 3.072 2.443 1.104) 4.078 2.818 ( 2.886 0.502 -2.970) 4.171 2.901 ( 3.133 -2.492 1.241) 4.192 2.927 ( 3.139 -0.942 -1.158) 3.476 2.982 ( 2.078 0.901 1.048) 2.496 2.999 ( 2.125 0.546 -0.864) 2.358 3.320 ( -0.542 3.775 0.868) 3.911 3.348 ( 0.419 -0.096 -1.808) 1.858 3.388 ( -2.101 -7.661 0.944) 8.000 3.409 ( -3.559 -7.789 -0.723) 8.594 3.456 ( -1.157 -2.087 2.552) 3.494 3.495 ( -1.169 -1.861 -1.380) 2.595 3.717 ( 2.216 -1.385 0.018) 2.613 3.721 ( 2.234 -1.950 -0.400) 2.993 3.836 ( 0.070 -0.483 1.344) 1.430 3.856 ( -0.287 -0.627 -0.641) 0.941 4.073 ( 0.125 -0.551 0.342) 0.660 4.085 ( 0.080 -0.956 -0.653) 1.160 4.093 ( -0.206 -1.332 0.969) 1.660 4.116 ( -0.094 -2.294 -1.275) 2.626 4.316 ( 0.929 0.917 0.395) 1.364 4.324 ( 1.176 1.576 -0.402) 2.007 4.410 ( 0.352 0.965 0.515) 1.149 4.417 ( 1.349 -0.533 -0.487) 1.530 4.429 ( 2.316 -1.576 0.483) 2.843 4.443 ( 1.090 -1.387 -0.476) 1.827 4.542 ( -0.269 2.652 0.671) 2.749 4.552 ( -0.204 2.206 -0.254) 2.230 4.617 ( -0.392 1.400 1.004) 1.767 4.636 ( -0.351 0.844 -0.840) 1.241 4.785 ( -2.313 1.937 0.320) 3.033 4.791 ( -2.361 1.674 -0.269) 2.907 5.600 ( 0.315 20.685 0.971) 20.711 5.621 ( 0.194 20.161 -1.039) 20.189 5.642 ( -0.245 20.361 0.542) 20.369 5.652 ( -0.189 20.385 -0.394) 20.390 6.778 ( -0.774 -16.932 0.769) 16.967 6.793 ( -0.983 -15.758 -0.673) 15.803 6.830 ( 0.910 -16.745 0.054) 16.770 6.833 ( 0.683 -15.802 -0.173) 15.818 7.734 ( 1.770 -6.231 0.672) 6.513 7.749 ( 1.572 -6.825 -0.738) 7.042 7.851 ( -0.258 -2.401 0.590) 2.485 7.863 ( -0.124 -2.827 -0.532) 2.880 7.920 ( -0.487 -1.120 0.550) 1.340 7.933 ( -0.756 -1.104 -0.671) 1.496 7.944 ( -0.431 -1.740 0.280) 1.814 7.950 ( -0.695 -2.196 -0.204) 2.312 ======================= Grid point 128 (51/56) ======================= q-point: ( 0.33 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 1.224 4.193 1.738) 4.701 1.524 ( -0.115 3.188 -1.298) 3.444 1.586 ( 0.438 2.490 1.979) 3.210 1.607 ( -0.658 0.167 -0.032) 0.680 1.664 ( 4.850 5.721 0.954) 7.560 1.721 ( 4.062 6.074 -4.571) 8.619 1.847 ( 1.354 4.206 -0.177) 4.422 1.858 ( 2.694 4.395 -1.365) 5.333 1.988 ( 0.309 0.558 2.645) 2.720 2.000 ( -2.935 1.833 1.839) 3.918 2.106 ( -1.403 9.593 2.941) 10.132 2.138 ( -3.384 5.577 -0.583) 6.549 2.141 ( 0.779 3.619 0.627) 3.755 2.208 ( 1.167 2.044 -4.241) 4.850 2.310 ( -5.426 10.812 0.379) 12.103 2.326 ( -3.079 7.534 -1.333) 8.248 2.391 ( 4.890 -3.407 0.744) 6.007 2.419 ( 3.624 -3.614 -1.556) 5.350 2.505 ( -0.691 -4.432 0.793) 4.555 2.508 ( 1.041 -2.354 0.165) 2.579 2.610 ( -0.625 -3.838 1.660) 4.228 2.637 ( -0.088 0.181 -0.209) 0.290 2.669 ( -1.159 -1.523 0.744) 2.053 2.703 ( -0.914 -4.989 -2.425) 5.622 2.854 ( 4.752 0.851 2.220) 5.314 2.900 ( 5.248 -0.999 -2.135) 5.753 2.960 ( 2.658 -2.174 1.588) 3.783 2.989 ( 2.716 -1.804 0.018) 3.261 3.026 ( 3.362 -2.561 -0.723) 4.287 3.030 ( 1.060 -0.344 -0.733) 1.334 3.247 ( -6.789 -6.365 0.451) 9.317 3.254 ( -8.608 -5.948 -0.313) 10.468 3.388 ( 1.401 -1.692 -0.394) 2.232 3.389 ( 0.994 -3.897 -0.304) 4.033 3.447 ( -0.298 -3.239 1.506) 3.584 3.467 ( -1.491 -2.694 -0.627) 3.142 3.770 ( 2.978 -1.336 0.011) 3.264 3.772 ( 2.812 -1.815 -0.265) 3.357 3.832 ( -0.512 -0.849 0.856) 1.310 3.845 ( -0.948 -0.756 -0.418) 1.283 4.075 ( 0.149 -0.295 0.561) 0.651 4.084 ( -0.186 -0.726 -0.049) 0.751 4.098 ( 0.633 -0.532 0.352) 0.898 4.117 ( 0.028 -1.811 -1.260) 2.207 4.341 ( 1.594 1.546 0.477) 2.271 4.352 ( 1.619 1.830 -0.580) 2.511 4.397 ( -1.155 1.943 0.906) 2.435 4.411 ( -1.206 1.495 -0.414) 1.965 4.496 ( 3.712 0.246 -0.009) 3.721 4.499 ( 3.678 -0.153 -0.346) 3.697 4.539 ( -0.052 3.070 0.578) 3.124 4.549 ( -0.084 2.677 -0.443) 2.715 4.613 ( 0.352 -0.068 0.872) 0.942 4.630 ( -0.017 -0.294 -0.783) 0.836 4.725 ( -3.843 0.352 0.247) 3.867 4.729 ( -4.063 0.232 -0.138) 4.072 5.608 ( 0.592 20.871 0.830) 20.896 5.626 ( 0.187 20.780 -0.683) 20.792 5.636 ( -0.290 19.782 0.393) 19.788 5.647 ( -0.383 19.958 -0.500) 19.968 6.766 ( -0.397 -16.190 0.468) 16.202 6.776 ( -0.829 -15.579 -0.458) 15.608 6.845 ( 0.561 -17.369 -0.004) 17.378 6.845 ( 0.500 -16.886 -0.017) 16.894 7.775 ( 2.343 -5.371 0.510) 5.882 7.787 ( 2.258 -5.759 -0.630) 6.218 7.842 ( -0.776 -3.237 0.702) 3.402 7.856 ( -0.778 -3.649 -0.600) 3.779 7.911 ( -0.358 -1.446 0.335) 1.527 7.918 ( -0.714 -1.269 -0.320) 1.491 7.933 ( -0.620 -2.280 0.042) 2.363 7.935 ( -0.764 -2.468 -0.066) 2.585 ======================= Grid point 129 (52/56) ======================= q-point: (-0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -0.914 3.482 -0.173) 3.604 1.516 ( 0.914 3.482 -0.173) 3.604 1.592 ( -0.520 0.222 1.571) 1.670 1.592 ( 0.520 0.222 1.571) 1.670 1.760 ( -3.111 8.801 -0.123) 9.335 1.760 ( 3.111 8.801 -0.123) 9.335 1.853 ( -2.772 10.663 -2.398) 11.275 1.853 ( 2.772 10.663 -2.398) 11.275 2.017 ( -2.420 -1.301 -0.167) 2.753 2.017 ( 2.420 -1.301 -0.166) 2.753 2.056 ( -0.636 8.402 1.153) 8.505 2.056 ( 0.636 8.402 1.153) 8.505 2.178 ( -2.968 5.235 2.099) 6.374 2.178 ( 2.968 5.235 2.099) 6.373 2.276 ( -1.448 8.511 -2.548) 9.002 2.276 ( 1.448 8.511 -2.548) 9.002 2.442 ( -0.811 -4.783 -0.152) 4.853 2.442 ( 0.811 -4.783 -0.152) 4.853 2.530 ( -1.917 -6.882 0.126) 7.145 2.530 ( 1.917 -6.882 0.126) 7.145 2.618 ( -2.506 -0.766 2.175) 3.406 2.618 ( 2.506 -0.766 2.175) 3.406 2.676 ( -1.842 -2.913 -1.891) 3.932 2.676 ( 1.842 -2.913 -1.891) 3.932 2.930 ( -2.674 0.605 1.434) 3.093 2.930 ( 2.674 0.605 1.434) 3.093 3.013 ( -1.423 -2.081 -1.405) 2.886 3.013 ( 1.423 -2.081 -1.405) 2.886 3.081 ( -6.942 -6.361 1.499) 9.534 3.081 ( 6.942 -6.361 1.499) 9.534 3.122 ( -5.642 -5.482 -1.349) 7.982 3.122 ( 5.642 -5.482 -1.349) 7.982 3.404 ( -0.107 -2.221 -0.191) 2.232 3.404 ( 0.107 -2.221 -0.191) 2.232 3.446 ( -0.513 -3.961 0.402) 4.015 3.446 ( 0.513 -3.961 0.402) 4.014 3.814 ( -1.528 -1.520 0.214) 2.166 3.814 ( 1.528 -1.520 0.214) 2.166 3.819 ( -1.942 -1.108 -0.201) 2.245 3.819 ( 1.942 -1.109 -0.201) 2.245 4.079 ( -0.288 -0.549 0.323) 0.699 4.079 ( 0.288 -0.549 0.323) 0.699 4.111 ( -0.621 -0.672 -0.421) 1.007 4.111 ( 0.621 -0.672 -0.421) 1.007 4.370 ( -1.347 1.728 0.514) 2.250 4.370 ( 1.347 1.728 0.514) 2.250 4.384 ( -1.460 2.125 -0.417) 2.612 4.384 ( 1.460 2.125 -0.417) 2.612 4.537 ( -0.407 3.451 0.241) 3.483 4.537 ( 0.407 3.451 0.241) 3.483 4.547 ( -0.732 2.700 -0.291) 2.812 4.547 ( 0.732 2.700 -0.291) 2.812 4.650 ( -3.439 -1.576 0.180) 3.788 4.650 ( 3.439 -1.576 0.180) 3.787 4.655 ( -2.701 -1.470 -0.159) 3.079 4.655 ( 2.701 -1.470 -0.159) 3.080 5.620 ( -0.611 21.160 0.545) 21.176 5.620 ( 0.611 21.160 0.545) 21.176 5.639 ( -0.430 19.486 -0.534) 19.498 5.639 ( 0.430 19.486 -0.534) 19.498 6.765 ( -0.287 -15.763 -0.001) 15.766 6.765 ( 0.287 -15.763 -0.002) 15.766 6.850 ( -0.011 -17.443 0.001) 17.443 6.850 ( 0.011 -17.443 0.001) 17.443 7.812 ( -1.046 -4.249 0.151) 4.379 7.812 ( 1.046 -4.249 0.151) 4.379 7.834 ( -1.138 -4.782 -0.167) 4.918 7.834 ( 1.138 -4.782 -0.167) 4.918 7.909 ( -0.197 -1.510 0.078) 1.525 7.909 ( 0.197 -1.510 0.078) 1.525 7.926 ( -0.041 -2.463 -0.066) 2.464 7.926 ( 0.041 -2.463 -0.066) 2.464 ======================= Grid point 133 (53/56) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 0.000 -0.348 2.532) 2.556 1.531 ( 0.000 0.348 2.532) 2.556 1.562 ( 0.000 -0.110 0.274) 0.295 1.562 ( 0.000 0.110 0.274) 0.295 1.617 ( 0.000 -1.726 -0.613) 1.831 1.617 ( 0.000 1.726 -0.613) 1.831 1.729 ( 0.000 -3.821 -4.312) 5.762 1.729 ( 0.000 3.822 -4.312) 5.762 1.975 ( 0.000 -0.810 2.739) 2.856 1.975 ( 0.000 0.810 2.739) 2.856 2.153 ( 0.000 -2.006 0.662) 2.112 2.153 ( 0.000 2.006 0.662) 2.113 2.284 ( 0.000 -1.797 3.237) 3.703 2.284 ( 0.000 1.797 3.237) 3.702 2.384 ( 0.000 -3.154 -1.987) 3.728 2.384 ( 0.000 3.154 -1.987) 3.728 2.409 ( 0.000 -0.252 0.044) 0.256 2.409 ( 0.000 0.253 0.044) 0.256 2.468 ( 0.000 -2.697 -1.172) 2.941 2.468 ( 0.000 2.698 -1.172) 2.941 2.639 ( 0.000 -2.657 -1.541) 3.071 2.639 ( 0.000 2.657 -1.540) 3.071 2.754 ( 0.000 -1.126 0.172) 1.139 2.754 ( 0.000 1.126 0.172) 1.139 2.823 ( 0.000 -1.680 0.712) 1.825 2.823 ( 0.000 1.680 0.712) 1.825 2.845 ( 0.000 -5.076 -1.261) 5.230 2.845 ( 0.000 5.076 -1.261) 5.230 2.983 ( 0.000 -0.141 -0.050) 0.150 2.983 ( 0.000 0.141 -0.050) 0.150 3.321 ( 0.000 -1.948 0.142) 1.953 3.321 ( 0.000 1.948 0.142) 1.953 3.326 ( 0.000 -0.671 -0.193) 0.699 3.326 ( 0.000 0.672 -0.193) 0.699 3.531 ( 0.000 -2.194 0.589) 2.272 3.531 ( 0.000 2.194 0.589) 2.272 3.680 ( 0.000 -0.001 -0.042) 0.042 3.680 ( 0.000 0.001 -0.042) 0.042 3.838 ( 0.000 -0.923 -0.082) 0.926 3.838 ( 0.000 0.923 -0.082) 0.926 4.076 ( 0.000 -0.034 0.016) 0.037 4.076 ( 0.000 0.034 0.016) 0.038 4.085 ( 0.000 -0.948 -0.036) 0.948 4.085 ( 0.000 0.948 -0.036) 0.949 4.327 ( 0.000 -1.382 -0.302) 1.415 4.327 ( 0.000 1.382 -0.302) 1.415 4.346 ( 0.000 -0.852 -0.280) 0.897 4.346 ( 0.000 0.852 -0.280) 0.897 4.439 ( 0.000 -0.476 0.721) 0.864 4.439 ( 0.000 0.476 0.721) 0.864 4.572 ( 0.000 -0.243 0.406) 0.473 4.572 ( 0.000 0.243 0.406) 0.473 4.644 ( 0.000 -0.582 -0.200) 0.616 4.644 ( 0.000 0.582 -0.200) 0.616 4.833 ( 0.000 -0.178 0.000) 0.178 4.833 ( 0.000 0.178 0.000) 0.178 5.851 ( 0.000 -0.803 0.067) 0.806 5.851 ( 0.000 0.803 0.067) 0.806 5.907 ( 0.000 -0.700 0.009) 0.701 5.907 ( 0.000 0.700 0.009) 0.700 6.575 ( 0.000 -1.187 -0.009) 1.187 6.575 ( 0.000 1.187 -0.009) 1.187 6.637 ( 0.000 -0.328 -0.037) 0.330 6.637 ( 0.000 0.328 -0.037) 0.330 7.655 ( 0.000 -0.491 -0.011) 0.491 7.655 ( 0.000 0.491 -0.011) 0.491 7.828 ( 0.000 -0.282 0.018) 0.283 7.828 ( 0.000 0.282 0.019) 0.283 7.920 ( 0.000 -0.502 -0.027) 0.503 7.920 ( 0.000 0.502 -0.027) 0.503 7.948 ( 0.000 -0.248 -0.025) 0.249 7.948 ( 0.000 0.248 -0.025) 0.250 ======================= Grid point 135 (54/56) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 0.501 -2.660 0.835) 2.832 1.551 ( 0.501 2.660 0.835) 2.832 1.603 ( -0.419 -1.252 -0.201) 1.335 1.603 ( -0.420 1.252 -0.201) 1.335 1.629 ( 7.246 -3.359 1.774) 8.181 1.629 ( 7.246 3.359 1.774) 8.181 1.763 ( 3.384 -4.463 -4.796) 7.373 1.763 ( 3.384 4.463 -4.796) 7.373 2.006 ( 2.477 -2.746 4.928) 6.161 2.006 ( 2.477 2.746 4.928) 6.161 2.130 ( -1.723 -2.525 -2.234) 3.787 2.130 ( -1.723 2.525 -2.234) 3.787 2.280 ( -0.217 -0.431 1.426) 1.505 2.280 ( -0.217 0.430 1.426) 1.505 2.367 ( -0.908 -3.128 -0.511) 3.297 2.367 ( -0.908 3.128 -0.511) 3.297 2.417 ( 0.667 -6.575 2.551) 7.084 2.417 ( 0.667 6.575 2.551) 7.084 2.503 ( 2.439 -7.350 -3.200) 8.380 2.503 ( 2.439 7.350 -3.200) 8.380 2.643 ( -0.127 -3.784 -0.316) 3.799 2.643 ( -0.127 3.784 -0.316) 3.800 2.682 ( -6.762 -1.434 0.057) 6.913 2.682 ( -6.762 1.434 0.057) 6.913 2.844 ( 2.080 -2.281 -0.363) 3.108 2.844 ( 2.080 2.281 -0.363) 3.108 2.863 ( 2.553 -4.134 -0.702) 4.909 2.863 ( 2.553 4.134 -0.702) 4.909 3.003 ( 1.494 -0.259 0.203) 1.530 3.003 ( 1.494 0.259 0.203) 1.530 3.279 ( -4.815 -1.581 -0.061) 5.069 3.279 ( -4.815 1.581 -0.061) 5.069 3.333 ( 0.962 -0.862 0.244) 1.315 3.333 ( 0.962 0.862 0.244) 1.315 3.499 ( -2.847 -1.648 0.175) 3.295 3.499 ( -2.847 1.648 0.175) 3.295 3.702 ( 2.220 -0.035 0.022) 2.220 3.702 ( 2.220 0.035 0.022) 2.220 3.839 ( -0.055 -0.794 0.105) 0.803 3.839 ( -0.055 0.794 0.105) 0.803 4.078 ( 0.274 -0.329 -0.019) 0.428 4.078 ( 0.274 0.329 -0.019) 0.428 4.086 ( 0.108 -0.712 -0.110) 0.728 4.086 ( 0.108 0.712 -0.110) 0.728 4.340 ( 1.198 -0.955 -0.322) 1.566 4.340 ( 1.198 0.955 -0.322) 1.566 4.388 ( 4.113 -0.438 -0.228) 4.143 4.388 ( 4.113 0.438 -0.228) 4.143 4.436 ( -0.250 -0.511 0.662) 0.873 4.436 ( -0.250 0.511 0.662) 0.873 4.572 ( 0.019 -0.282 0.337) 0.440 4.572 ( 0.019 0.282 0.337) 0.440 4.637 ( -0.690 -0.621 -0.170) 0.944 4.637 ( -0.690 0.621 -0.170) 0.944 4.805 ( -2.923 -0.174 0.019) 2.928 4.805 ( -2.923 0.174 0.019) 2.928 5.854 ( 0.340 -0.753 0.055) 0.828 5.854 ( 0.340 0.753 0.055) 0.828 5.903 ( -0.400 -0.689 0.007) 0.797 5.903 ( -0.400 0.689 0.007) 0.797 6.578 ( 0.299 -1.425 -0.013) 1.456 6.578 ( 0.299 1.425 -0.013) 1.456 6.631 ( -0.576 -0.710 -0.028) 0.915 6.631 ( -0.576 0.710 -0.028) 0.915 7.675 ( 2.087 -0.433 -0.008) 2.132 7.675 ( 2.087 0.433 -0.008) 2.132 7.825 ( -0.369 -0.341 0.011) 0.502 7.825 ( -0.369 0.341 0.011) 0.502 7.913 ( -0.638 -0.471 -0.023) 0.793 7.913 ( -0.638 0.471 -0.023) 0.793 7.937 ( -0.995 -0.150 -0.016) 1.006 7.937 ( -0.995 0.150 -0.016) 1.006 ======================= Grid point 137 (55/56) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 0.406 -1.620 0.417) 1.722 1.558 ( 0.406 1.620 0.417) 1.722 1.584 ( -1.036 -1.090 -0.216) 1.519 1.584 ( -1.036 1.090 -0.216) 1.520 1.797 ( 7.313 -5.893 1.535) 9.516 1.797 ( 7.313 5.893 1.535) 9.516 1.866 ( 8.653 -4.374 -3.156) 10.196 1.866 ( 8.653 4.374 -3.156) 10.196 2.005 ( -2.227 -2.102 3.155) 4.397 2.005 ( -2.227 2.103 3.155) 4.397 2.145 ( 2.874 -1.485 -2.982) 4.399 2.145 ( 2.874 1.485 -2.982) 4.400 2.279 ( -0.144 -1.186 1.306) 1.770 2.279 ( -0.144 1.186 1.306) 1.770 2.341 ( -2.618 -2.046 -0.856) 3.431 2.341 ( -2.618 2.047 -0.856) 3.431 2.424 ( -0.249 -3.161 2.684) 4.155 2.424 ( -0.249 3.161 2.684) 4.155 2.508 ( -6.838 -1.701 -0.446) 7.061 2.508 ( -6.838 1.701 -0.446) 7.061 2.561 ( 1.995 -5.301 -1.207) 5.791 2.561 ( 1.995 5.301 -1.207) 5.791 2.650 ( -0.425 -0.440 0.086) 0.618 2.650 ( -0.425 0.440 0.087) 0.618 2.890 ( 2.924 -1.301 -0.264) 3.211 2.890 ( 2.924 1.301 -0.264) 3.211 2.933 ( 3.834 -1.447 -1.054) 4.231 2.933 ( 3.834 1.447 -1.054) 4.231 3.024 ( 0.509 -0.647 0.803) 1.150 3.024 ( 0.509 0.647 0.803) 1.150 3.154 ( -7.720 -0.802 -0.146) 7.763 3.154 ( -7.720 0.802 -0.146) 7.763 3.357 ( 1.612 -0.788 0.295) 1.818 3.357 ( 1.612 0.788 0.294) 1.818 3.444 ( -2.860 -0.998 -0.028) 3.029 3.444 ( -2.860 0.998 -0.028) 3.029 3.754 ( 2.976 -0.055 -0.052) 2.977 3.754 ( 2.976 0.055 -0.052) 2.977 3.831 ( -0.915 -0.561 0.117) 1.080 3.831 ( -0.915 0.561 0.117) 1.080 4.086 ( 0.410 -0.900 0.091) 0.993 4.086 ( 0.410 0.901 0.091) 0.993 4.089 ( 0.205 -0.937 -0.177) 0.976 4.089 ( 0.205 0.938 -0.177) 0.976 4.367 ( 1.592 -0.606 -0.199) 1.715 4.367 ( 1.592 0.606 -0.199) 1.715 4.419 ( -0.895 -0.435 0.245) 1.025 4.419 ( -0.895 0.435 0.245) 1.025 4.494 ( 6.177 -0.105 -0.006) 6.178 4.494 ( 6.177 0.105 -0.006) 6.178 4.577 ( 0.577 -0.349 0.170) 0.695 4.577 ( 0.577 0.349 0.170) 0.695 4.618 ( -1.242 -0.668 -0.128) 1.416 4.618 ( -1.242 0.668 -0.128) 1.416 4.728 ( -5.224 -0.135 0.040) 5.226 4.728 ( -5.224 0.135 0.040) 5.225 5.863 ( 0.664 -0.656 0.030) 0.934 5.863 ( 0.664 0.656 0.030) 0.934 5.892 ( -0.710 -0.656 0.006) 0.967 5.892 ( -0.710 0.656 0.006) 0.967 6.586 ( 0.612 -1.735 -0.014) 1.840 6.586 ( 0.611 1.735 -0.014) 1.840 6.617 ( -0.878 -1.283 -0.012) 1.555 6.617 ( -0.878 1.283 -0.012) 1.555 7.725 ( 2.937 -0.370 -0.002) 2.961 7.725 ( 2.937 0.370 -0.003) 2.961 7.810 ( -1.257 -0.420 0.003) 1.325 7.810 ( -1.257 0.420 0.003) 1.325 7.901 ( -0.473 -0.373 -0.011) 0.603 7.901 ( -0.473 0.373 -0.011) 0.603 7.916 ( -1.133 -0.106 -0.003) 1.138 7.916 ( -1.133 0.106 -0.003) 1.138 ======================= Grid point 139 (56/56) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -0.338 -2.154 0.115) 2.183 1.568 ( 0.176 -2.149 0.115) 2.159 1.568 ( -0.176 2.149 0.115) 2.159 1.568 ( 0.338 2.154 0.115) 2.183 1.898 ( -2.820 -4.592 0.686) 5.432 1.898 ( -0.391 -4.374 0.686) 4.445 1.898 ( 0.391 4.375 0.686) 4.445 1.898 ( 2.820 4.592 0.686) 5.432 2.106 ( -5.934 -6.365 -2.274) 8.994 2.106 ( -3.765 -5.937 -2.274) 7.389 2.106 ( 3.766 5.937 -2.274) 7.390 2.106 ( 5.934 6.365 -2.275) 8.994 2.281 ( -1.488 -8.769 1.763) 9.068 2.281 ( 1.404 -8.766 1.763) 9.051 2.281 ( -1.404 8.766 1.763) 9.051 2.281 ( 1.488 8.769 1.763) 9.068 2.428 ( -1.535 -3.841 -0.145) 4.139 2.428 ( 1.499 -3.838 -0.145) 4.123 2.428 ( -1.499 3.838 -0.145) 4.123 2.428 ( 1.535 3.841 -0.145) 4.139 2.621 ( -2.560 -2.565 -0.035) 3.624 2.621 ( 0.981 -2.276 -0.035) 2.479 2.621 ( -0.981 2.276 -0.035) 2.479 2.621 ( 2.560 2.565 -0.035) 3.624 2.953 ( -2.682 -2.310 -0.188) 3.545 2.953 ( 1.339 -1.997 -0.188) 2.411 2.953 ( -1.339 1.997 -0.188) 2.411 2.953 ( 2.682 2.310 -0.188) 3.545 3.042 ( -2.822 -1.579 0.007) 3.234 3.042 ( -0.309 -0.724 0.007) 0.788 3.042 ( 0.309 0.724 0.007) 0.788 3.042 ( 2.822 1.579 0.007) 3.234 3.394 ( -2.066 -1.053 0.109) 2.321 3.394 ( -1.079 -0.577 0.109) 1.228 3.394 ( 1.079 0.577 0.109) 1.228 3.394 ( 2.066 1.053 0.109) 2.321 3.803 ( -2.059 -0.319 -0.040) 2.084 3.803 ( -1.994 0.190 -0.040) 2.004 3.803 ( 1.994 -0.190 -0.040) 2.004 3.803 ( 2.059 0.319 -0.040) 2.084 4.091 ( -0.107 -1.268 0.010) 1.273 4.091 ( 0.106 -1.268 0.010) 1.273 4.091 ( -0.106 1.268 0.010) 1.273 4.091 ( 0.107 1.268 0.010) 1.273 4.396 ( -1.302 -0.625 0.008) 1.445 4.396 ( -0.626 -0.255 0.008) 0.676 4.396 ( 0.626 0.255 0.008) 0.676 4.396 ( 1.302 0.625 0.008) 1.445 4.594 ( -1.150 -0.224 -0.012) 1.172 4.594 ( -1.063 -0.040 -0.012) 1.064 4.594 ( 1.063 0.040 -0.012) 1.064 4.594 ( 1.150 0.224 -0.012) 1.172 4.616 ( -6.314 -0.394 0.002) 6.326 4.616 ( -6.294 0.307 0.002) 6.302 4.616 ( 6.294 -0.307 0.002) 6.302 4.616 ( 6.314 0.394 0.002) 6.326 5.878 ( -0.737 -0.781 0.012) 1.074 5.878 ( 0.317 -0.707 0.012) 0.775 5.878 ( -0.317 0.707 0.012) 0.775 5.878 ( 0.737 0.781 0.012) 1.074 6.600 ( -0.501 -3.363 -0.008) 3.400 6.600 ( 0.339 -3.358 -0.008) 3.375 6.600 ( -0.339 3.359 -0.008) 3.376 6.600 ( 0.501 3.363 -0.008) 3.400 7.776 ( -2.207 -0.590 0.001) 2.285 7.776 ( -1.867 -0.039 0.001) 1.867 7.776 ( 1.867 0.039 0.001) 1.867 7.776 ( 2.207 0.590 0.001) 2.285 7.900 ( -0.347 -0.418 -0.001) 0.543 7.900 ( 0.032 -0.380 -0.001) 0.382 7.900 ( -0.032 0.380 -0.001) 0.382 7.900 ( 0.347 0.418 -0.001) 0.543 =================== 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 3/15552 10.0 140.684 206.382 153.111 0.000 0.000 -0.000 3/15552 20.0 24.672 53.620 28.100 0.000 0.000 -0.000 3/15552 30.0 11.261 26.459 12.157 0.000 0.000 -0.000 3/15552 40.0 7.175 17.430 7.395 0.000 0.000 -0.000 3/15552 50.0 5.280 13.138 5.260 0.000 0.000 -0.000 3/15552 60.0 4.197 10.672 4.078 0.000 0.000 -0.000 3/15552 70.0 3.497 9.076 3.335 0.000 0.000 -0.000 3/15552 80.0 3.005 7.953 2.825 0.000 0.000 -0.000 3/15552 90.0 2.641 7.113 2.455 0.000 0.000 -0.000 3/15552 100.0 2.359 6.454 2.173 0.000 0.000 -0.000 3/15552 110.0 2.133 5.921 1.951 0.000 0.000 -0.000 3/15552 120.0 1.949 5.476 1.772 0.000 0.000 -0.000 3/15552 130.0 1.795 5.098 1.624 0.000 0.000 -0.000 3/15552 140.0 1.665 4.771 1.499 0.000 0.000 -0.000 3/15552 150.0 1.553 4.485 1.393 0.000 0.000 -0.000 3/15552 160.0 1.455 4.233 1.301 0.000 0.000 -0.000 3/15552 170.0 1.369 4.007 1.221 0.000 0.000 -0.000 3/15552 180.0 1.293 3.805 1.150 0.000 0.000 -0.000 3/15552 190.0 1.225 3.622 1.087 0.000 0.000 -0.000 3/15552 200.0 1.164 3.456 1.031 0.000 0.000 -0.000 3/15552 210.0 1.109 3.305 0.980 0.000 0.000 -0.000 3/15552 220.0 1.059 3.166 0.935 0.000 0.000 -0.000 3/15552 230.0 1.013 3.038 0.893 0.000 0.000 -0.000 3/15552 240.0 0.972 2.921 0.855 0.000 0.000 -0.000 3/15552 250.0 0.933 2.811 0.820 0.000 0.000 -0.000 3/15552 260.0 0.898 2.710 0.788 0.000 0.000 -0.000 3/15552 270.0 0.865 2.616 0.759 0.000 0.000 -0.000 3/15552 280.0 0.834 2.528 0.731 0.000 0.000 -0.000 3/15552 290.0 0.806 2.445 0.706 0.000 0.000 -0.000 3/15552 300.0 0.779 2.368 0.682 0.000 0.000 -0.000 3/15552 310.0 0.754 2.295 0.660 0.000 0.000 -0.000 3/15552 320.0 0.731 2.227 0.639 0.000 0.000 -0.000 3/15552 330.0 0.709 2.163 0.619 0.000 0.000 -0.000 3/15552 340.0 0.688 2.102 0.601 0.000 0.000 -0.000 3/15552 350.0 0.669 2.044 0.584 0.000 0.000 -0.000 3/15552 360.0 0.651 1.990 0.567 0.000 0.000 -0.000 3/15552 370.0 0.633 1.938 0.552 0.000 0.000 -0.000 3/15552 380.0 0.617 1.889 0.537 0.000 0.000 -0.000 3/15552 390.0 0.601 1.843 0.524 0.000 0.000 -0.000 3/15552 400.0 0.586 1.798 0.510 0.000 0.000 -0.000 3/15552 410.0 0.572 1.756 0.498 0.000 0.000 -0.000 3/15552 420.0 0.559 1.715 0.486 0.000 0.000 -0.000 3/15552 430.0 0.546 1.677 0.475 0.000 0.000 -0.000 3/15552 440.0 0.533 1.640 0.464 0.000 0.000 -0.000 3/15552 450.0 0.522 1.605 0.453 0.000 0.000 -0.000 3/15552 460.0 0.511 1.571 0.444 0.000 0.000 -0.000 3/15552 470.0 0.500 1.538 0.434 0.000 0.000 -0.000 3/15552 480.0 0.489 1.507 0.425 0.000 0.000 -0.000 3/15552 490.0 0.480 1.477 0.416 0.000 0.000 -0.000 3/15552 500.0 0.470 1.448 0.408 0.000 0.000 -0.000 3/15552 510.0 0.461 1.421 0.400 0.000 0.000 -0.000 3/15552 520.0 0.452 1.394 0.392 0.000 0.000 -0.000 3/15552 530.0 0.444 1.368 0.385 0.000 0.000 -0.000 3/15552 540.0 0.436 1.344 0.378 0.000 0.000 -0.000 3/15552 550.0 0.428 1.320 0.371 0.000 0.000 -0.000 3/15552 560.0 0.420 1.297 0.364 0.000 0.000 -0.000 3/15552 570.0 0.413 1.274 0.358 0.000 0.000 -0.000 3/15552 580.0 0.406 1.253 0.352 0.000 0.000 -0.000 3/15552 590.0 0.399 1.232 0.346 0.000 0.000 -0.000 3/15552 600.0 0.392 1.212 0.340 0.000 0.000 -0.000 3/15552 610.0 0.386 1.193 0.334 0.000 0.000 -0.000 3/15552 620.0 0.380 1.174 0.329 0.000 0.000 -0.000 3/15552 630.0 0.374 1.155 0.324 0.000 0.000 -0.000 3/15552 640.0 0.368 1.138 0.319 0.000 0.000 -0.000 3/15552 650.0 0.362 1.121 0.314 0.000 0.000 -0.000 3/15552 660.0 0.357 1.104 0.309 0.000 0.000 -0.000 3/15552 670.0 0.352 1.088 0.304 0.000 0.000 -0.000 3/15552 680.0 0.347 1.072 0.300 0.000 0.000 -0.000 3/15552 690.0 0.342 1.057 0.296 0.000 0.000 -0.000 3/15552 700.0 0.337 1.042 0.291 0.000 0.000 -0.000 3/15552 710.0 0.332 1.027 0.287 0.000 0.000 -0.000 3/15552 720.0 0.327 1.013 0.283 0.000 0.000 -0.000 3/15552 730.0 0.323 1.000 0.279 0.000 0.000 -0.000 3/15552 740.0 0.319 0.986 0.276 0.000 0.000 -0.000 3/15552 750.0 0.314 0.973 0.272 0.000 0.000 -0.000 3/15552 760.0 0.310 0.961 0.268 0.000 0.000 -0.000 3/15552 770.0 0.306 0.949 0.265 0.000 0.000 -0.000 3/15552 780.0 0.302 0.937 0.262 0.000 0.000 -0.000 3/15552 790.0 0.299 0.925 0.258 0.000 0.000 -0.000 3/15552 800.0 0.295 0.913 0.255 0.000 0.000 -0.000 3/15552 810.0 0.291 0.902 0.252 0.000 0.000 -0.000 3/15552 820.0 0.288 0.891 0.249 0.000 0.000 -0.000 3/15552 830.0 0.284 0.881 0.246 0.000 0.000 -0.000 3/15552 840.0 0.281 0.871 0.243 0.000 0.000 -0.000 3/15552 850.0 0.278 0.860 0.240 0.000 0.000 -0.000 3/15552 860.0 0.275 0.851 0.237 0.000 0.000 -0.000 3/15552 870.0 0.271 0.841 0.235 0.000 0.000 -0.000 3/15552 880.0 0.268 0.831 0.232 0.000 0.000 -0.000 3/15552 890.0 0.265 0.822 0.229 0.000 0.000 -0.000 3/15552 900.0 0.262 0.813 0.227 0.000 0.000 -0.000 3/15552 910.0 0.260 0.804 0.224 0.000 0.000 -0.000 3/15552 920.0 0.257 0.796 0.222 0.000 0.000 -0.000 3/15552 930.0 0.254 0.787 0.219 0.000 0.000 -0.000 3/15552 940.0 0.251 0.779 0.217 0.000 0.000 -0.000 3/15552 950.0 0.249 0.771 0.215 0.000 0.000 -0.000 3/15552 960.0 0.246 0.763 0.213 0.000 0.000 -0.000 3/15552 970.0 0.244 0.755 0.210 0.000 0.000 -0.000 3/15552 980.0 0.241 0.747 0.208 0.000 0.000 -0.000 3/15552 990.0 0.239 0.740 0.206 0.000 0.000 -0.000 3/15552 1000.0 0.236 0.733 0.204 0.000 0.000 -0.000 3/15552 Thermal conductivity related properties were written into "kappa-m6123.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:44:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|