----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:21:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.802116331097499 -1.894954880000000 0.000000000000000 b 7.802116331097499 1.894954880000000 0.000000000000000 c -5.298823493165275 0.000000000000000 9.023875348505616 Atomic positions (fractional): *1 N 0.57673540537049 0.57673540537049 0.15709913839660 14.007 2 N 0.42326459462951 0.42326459462951 0.84290086160340 14.007 *3 Cl 0.94966025604911 0.94966025604911 0.25271349189709 35.453 4 Cl 0.05033974395089 0.05033974395089 0.74728650810291 35.453 *5 Cl 0.33765084459445 0.33765084459445 0.48829799930874 35.453 6 Cl 0.66234915540556 0.66234915540555 0.51170200069126 35.453 *7 Cl 0.22735370262010 0.22735370262010 0.11615907859722 35.453 8 Cl 0.77264629737990 0.77264629737990 0.88384092140278 35.453 *9 Y 0.13757742926526 0.13757742926526 0.29279931862732 88.906 10 Y 0.86242257073474 0.86242257073474 0.70720068137268 88.906 *11 Y 0.41206700949331 0.41206700949331 0.04576704273260 88.906 12 Y 0.58793299050669 0.58793299050669 0.95423295726740 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.604232662194999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.789909760000000 0.000000000000000 c -5.298823493165275 0.000000000000000 9.023875348505616 Atomic positions (fractional): *1 N 0.07673540537049 0.50000000000000 0.15709913839660 14.007 > 1 2 N 0.92326459462951 0.50000000000000 0.84290086160340 14.007 > 2 3 N 0.57673540537049 0.00000000000000 0.15709913839660 14.007 > 1 4 N 0.42326459462951 0.00000000000000 0.84290086160340 14.007 > 2 *5 Cl 0.94966025604911 0.00000000000000 0.25271349189709 35.453 > 3 6 Cl 0.05033974395089 0.00000000000000 0.74728650810291 35.453 > 4 *7 Cl 0.83765084459445 0.50000000000000 0.48829799930874 35.453 > 5 8 Cl 0.16234915540556 0.50000000000000 0.51170200069126 35.453 > 6 *9 Cl 0.72735370262010 0.50000000000000 0.11615907859722 35.453 > 7 10 Cl 0.27264629737990 0.50000000000000 0.88384092140278 35.453 > 8 11 Cl 0.44966025604912 0.50000000000000 0.25271349189709 35.453 > 3 12 Cl 0.55033974395089 0.50000000000000 0.74728650810291 35.453 > 4 13 Cl 0.33765084459444 0.00000000000000 0.48829799930874 35.453 > 5 14 Cl 0.66234915540555 0.00000000000000 0.51170200069126 35.453 > 6 15 Cl 0.22735370262010 0.00000000000000 0.11615907859722 35.453 > 7 16 Cl 0.77264629737990 0.00000000000000 0.88384092140278 35.453 > 8 *17 Y 0.13757742926526 0.00000000000000 0.29279931862732 88.906 > 9 18 Y 0.86242257073474 0.00000000000000 0.70720068137268 88.906 > 10 *19 Y 0.91206700949331 0.50000000000000 0.04576704273260 88.906 > 11 20 Y 0.08793299050669 0.50000000000000 0.95423295726740 88.906 > 12 21 Y 0.63757742926526 0.50000000000000 0.29279931862732 88.906 > 9 22 Y 0.36242257073474 0.50000000000000 0.70720068137268 88.906 > 10 23 Y 0.41206700949331 0.00000000000000 0.04576704273260 88.906 > 11 24 Y 0.58793299050669 0.00000000000000 0.95423295726740 88.906 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.604232662194999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.369729280000000 0.000000000000000 c -10.597646986330551 0.000000000000000 18.047750697011232 Atomic positions (fractional): *1 N 0.07673540537049 0.16666666666667 0.07854956919830 14.007 > 1 2 N 0.07673540537049 0.50000000000000 0.07854956919830 14.007 > 1 3 N 0.07673540537049 0.83333333333333 0.07854956919830 14.007 > 1 4 N 0.07673540537049 0.16666666666667 0.57854956919830 14.007 > 1 5 N 0.07673540537049 0.50000000000000 0.57854956919830 14.007 > 1 6 N 0.07673540537049 0.83333333333333 0.57854956919830 14.007 > 1 7 N 0.92326459462951 0.16666666666667 0.42145043080170 14.007 > 2 8 N 0.92326459462951 0.50000000000000 0.42145043080170 14.007 > 2 9 N 0.92326459462951 0.83333333333333 0.42145043080170 14.007 > 2 10 N 0.92326459462951 0.16666666666667 0.92145043080170 14.007 > 2 11 N 0.92326459462951 0.50000000000000 0.92145043080170 14.007 > 2 12 N 0.92326459462951 0.83333333333333 0.92145043080170 14.007 > 2 13 N 0.57673540537049 0.00000000000000 0.07854956919830 14.007 > 1 14 N 0.57673540537049 0.33333333333333 0.07854956919830 14.007 > 1 15 N 0.57673540537049 0.66666666666667 0.07854956919830 14.007 > 1 16 N 0.57673540537049 0.00000000000000 0.57854956919830 14.007 > 1 17 N 0.57673540537049 0.33333333333333 0.57854956919830 14.007 > 1 18 N 0.57673540537049 0.66666666666667 0.57854956919830 14.007 > 1 19 N 0.42326459462951 0.00000000000000 0.42145043080170 14.007 > 2 20 N 0.42326459462951 0.33333333333333 0.42145043080170 14.007 > 2 21 N 0.42326459462951 0.66666666666667 0.42145043080170 14.007 > 2 22 N 0.42326459462951 0.00000000000000 0.92145043080170 14.007 > 2 23 N 0.42326459462951 0.33333333333333 0.92145043080170 14.007 > 2 24 N 0.42326459462951 0.66666666666667 0.92145043080170 14.007 > 2 *25 Cl 0.94966025604911 0.00000000000000 0.12635674594854 35.453 > 3 26 Cl 0.94966025604911 0.33333333333333 0.12635674594854 35.453 > 3 27 Cl 0.94966025604911 0.66666666666667 0.12635674594854 35.453 > 3 28 Cl 0.94966025604911 0.00000000000000 0.62635674594854 35.453 > 3 29 Cl 0.94966025604911 0.33333333333333 0.62635674594854 35.453 > 3 30 Cl 0.94966025604911 0.66666666666667 0.62635674594854 35.453 > 3 31 Cl 0.05033974395089 0.00000000000000 0.37364325405146 35.453 > 4 32 Cl 0.05033974395089 0.33333333333333 0.37364325405146 35.453 > 4 33 Cl 0.05033974395089 0.66666666666667 0.37364325405146 35.453 > 4 34 Cl 0.05033974395089 0.00000000000000 0.87364325405146 35.453 > 4 35 Cl 0.05033974395089 0.33333333333333 0.87364325405146 35.453 > 4 36 Cl 0.05033974395089 0.66666666666667 0.87364325405146 35.453 > 4 *37 Cl 0.83765084459445 0.16666666666667 0.24414899965437 35.453 > 5 38 Cl 0.83765084459445 0.50000000000000 0.24414899965437 35.453 > 5 39 Cl 0.83765084459445 0.83333333333333 0.24414899965437 35.453 > 5 40 Cl 0.83765084459445 0.16666666666667 0.74414899965437 35.453 > 5 41 Cl 0.83765084459445 0.50000000000000 0.74414899965437 35.453 > 5 42 Cl 0.83765084459445 0.83333333333333 0.74414899965437 35.453 > 5 43 Cl 0.16234915540556 0.16666666666667 0.25585100034563 35.453 > 6 44 Cl 0.16234915540556 0.50000000000000 0.25585100034563 35.453 > 6 45 Cl 0.16234915540556 0.83333333333333 0.25585100034563 35.453 > 6 46 Cl 0.16234915540556 0.16666666666667 0.75585100034563 35.453 > 6 47 Cl 0.16234915540556 0.50000000000000 0.75585100034563 35.453 > 6 48 Cl 0.16234915540556 0.83333333333333 0.75585100034563 35.453 > 6 *49 Cl 0.72735370262010 0.16666666666667 0.05807953929861 35.453 > 7 50 Cl 0.72735370262010 0.50000000000000 0.05807953929861 35.453 > 7 51 Cl 0.72735370262010 0.83333333333333 0.05807953929861 35.453 > 7 52 Cl 0.72735370262010 0.16666666666667 0.55807953929861 35.453 > 7 53 Cl 0.72735370262010 0.50000000000000 0.55807953929861 35.453 > 7 54 Cl 0.72735370262010 0.83333333333333 0.55807953929861 35.453 > 7 55 Cl 0.27264629737990 0.16666666666667 0.44192046070139 35.453 > 8 56 Cl 0.27264629737990 0.50000000000000 0.44192046070139 35.453 > 8 57 Cl 0.27264629737990 0.83333333333333 0.44192046070139 35.453 > 8 58 Cl 0.27264629737990 0.16666666666667 0.94192046070139 35.453 > 8 59 Cl 0.27264629737990 0.50000000000000 0.94192046070139 35.453 > 8 60 Cl 0.27264629737990 0.83333333333333 0.94192046070139 35.453 > 8 61 Cl 0.44966025604912 0.16666666666667 0.12635674594854 35.453 > 3 62 Cl 0.44966025604912 0.50000000000000 0.12635674594854 35.453 > 3 63 Cl 0.44966025604912 0.83333333333333 0.12635674594854 35.453 > 3 64 Cl 0.44966025604912 0.16666666666667 0.62635674594854 35.453 > 3 65 Cl 0.44966025604912 0.50000000000000 0.62635674594854 35.453 > 3 66 Cl 0.44966025604912 0.83333333333333 0.62635674594854 35.453 > 3 67 Cl 0.55033974395089 0.16666666666667 0.37364325405146 35.453 > 4 68 Cl 0.55033974395089 0.50000000000000 0.37364325405146 35.453 > 4 69 Cl 0.55033974395089 0.83333333333333 0.37364325405146 35.453 > 4 70 Cl 0.55033974395089 0.16666666666667 0.87364325405146 35.453 > 4 71 Cl 0.55033974395089 0.50000000000000 0.87364325405146 35.453 > 4 72 Cl 0.55033974395089 0.83333333333333 0.87364325405146 35.453 > 4 73 Cl 0.33765084459444 0.00000000000000 0.24414899965437 35.453 > 5 74 Cl 0.33765084459444 0.33333333333333 0.24414899965437 35.453 > 5 75 Cl 0.33765084459444 0.66666666666667 0.24414899965437 35.453 > 5 76 Cl 0.33765084459444 0.00000000000000 0.74414899965437 35.453 > 5 77 Cl 0.33765084459444 0.33333333333333 0.74414899965437 35.453 > 5 78 Cl 0.33765084459444 0.66666666666667 0.74414899965437 35.453 > 5 79 Cl 0.66234915540555 0.00000000000000 0.25585100034563 35.453 > 6 80 Cl 0.66234915540555 0.33333333333333 0.25585100034563 35.453 > 6 81 Cl 0.66234915540555 0.66666666666667 0.25585100034563 35.453 > 6 82 Cl 0.66234915540555 0.00000000000000 0.75585100034563 35.453 > 6 83 Cl 0.66234915540555 0.33333333333333 0.75585100034563 35.453 > 6 84 Cl 0.66234915540555 0.66666666666667 0.75585100034563 35.453 > 6 85 Cl 0.22735370262010 0.00000000000000 0.05807953929861 35.453 > 7 86 Cl 0.22735370262010 0.33333333333333 0.05807953929861 35.453 > 7 87 Cl 0.22735370262010 0.66666666666667 0.05807953929861 35.453 > 7 88 Cl 0.22735370262010 0.00000000000000 0.55807953929861 35.453 > 7 89 Cl 0.22735370262010 0.33333333333333 0.55807953929861 35.453 > 7 90 Cl 0.22735370262010 0.66666666666667 0.55807953929861 35.453 > 7 91 Cl 0.77264629737990 0.00000000000000 0.44192046070139 35.453 > 8 92 Cl 0.77264629737990 0.33333333333333 0.44192046070139 35.453 > 8 93 Cl 0.77264629737990 0.66666666666667 0.44192046070139 35.453 > 8 94 Cl 0.77264629737990 0.00000000000000 0.94192046070139 35.453 > 8 95 Cl 0.77264629737990 0.33333333333333 0.94192046070139 35.453 > 8 96 Cl 0.77264629737990 0.66666666666667 0.94192046070139 35.453 > 8 *97 Y 0.13757742926526 0.00000000000000 0.14639965931366 88.906 > 9 98 Y 0.13757742926526 0.33333333333333 0.14639965931366 88.906 > 9 99 Y 0.13757742926526 0.66666666666667 0.14639965931366 88.906 > 9 100 Y 0.13757742926526 0.00000000000000 0.64639965931366 88.906 > 9 101 Y 0.13757742926526 0.33333333333333 0.64639965931366 88.906 > 9 102 Y 0.13757742926526 0.66666666666667 0.64639965931366 88.906 > 9 103 Y 0.86242257073474 0.00000000000000 0.35360034068634 88.906 > 10 104 Y 0.86242257073474 0.33333333333333 0.35360034068634 88.906 > 10 105 Y 0.86242257073474 0.66666666666667 0.35360034068634 88.906 > 10 106 Y 0.86242257073474 0.00000000000000 0.85360034068634 88.906 > 10 107 Y 0.86242257073474 0.33333333333333 0.85360034068634 88.906 > 10 108 Y 0.86242257073474 0.66666666666667 0.85360034068634 88.906 > 10 *109 Y 0.91206700949331 0.16666666666667 0.02288352136630 88.906 > 11 110 Y 0.91206700949331 0.50000000000000 0.02288352136630 88.906 > 11 111 Y 0.91206700949331 0.83333333333333 0.02288352136630 88.906 > 11 112 Y 0.91206700949331 0.16666666666667 0.52288352136630 88.906 > 11 113 Y 0.91206700949331 0.50000000000000 0.52288352136630 88.906 > 11 114 Y 0.91206700949331 0.83333333333333 0.52288352136630 88.906 > 11 115 Y 0.08793299050669 0.16666666666667 0.47711647863370 88.906 > 12 116 Y 0.08793299050669 0.50000000000000 0.47711647863370 88.906 > 12 117 Y 0.08793299050669 0.83333333333333 0.47711647863370 88.906 > 12 118 Y 0.08793299050669 0.16666666666667 0.97711647863370 88.906 > 12 119 Y 0.08793299050669 0.50000000000000 0.97711647863370 88.906 > 12 120 Y 0.08793299050669 0.83333333333333 0.97711647863370 88.906 > 12 121 Y 0.63757742926526 0.16666666666667 0.14639965931366 88.906 > 9 122 Y 0.63757742926526 0.50000000000000 0.14639965931366 88.906 > 9 123 Y 0.63757742926526 0.83333333333333 0.14639965931366 88.906 > 9 124 Y 0.63757742926526 0.16666666666667 0.64639965931366 88.906 > 9 125 Y 0.63757742926526 0.50000000000000 0.64639965931366 88.906 > 9 126 Y 0.63757742926526 0.83333333333333 0.64639965931366 88.906 > 9 127 Y 0.36242257073474 0.16666666666667 0.35360034068634 88.906 > 10 128 Y 0.36242257073474 0.50000000000000 0.35360034068634 88.906 > 10 129 Y 0.36242257073474 0.83333333333333 0.35360034068634 88.906 > 10 130 Y 0.36242257073474 0.16666666666667 0.85360034068634 88.906 > 10 131 Y 0.36242257073474 0.50000000000000 0.85360034068634 88.906 > 10 132 Y 0.36242257073474 0.83333333333333 0.85360034068634 88.906 > 10 133 Y 0.41206700949331 0.00000000000000 0.02288352136630 88.906 > 11 134 Y 0.41206700949331 0.33333333333333 0.02288352136630 88.906 > 11 135 Y 0.41206700949331 0.66666666666667 0.02288352136630 88.906 > 11 136 Y 0.41206700949331 0.00000000000000 0.52288352136630 88.906 > 11 137 Y 0.41206700949331 0.33333333333333 0.52288352136630 88.906 > 11 138 Y 0.41206700949331 0.66666666666667 0.52288352136630 88.906 > 11 139 Y 0.58793299050669 0.00000000000000 0.47711647863370 88.906 > 12 140 Y 0.58793299050669 0.33333333333333 0.47711647863370 88.906 > 12 141 Y 0.58793299050669 0.66666666666667 0.47711647863370 88.906 > 12 142 Y 0.58793299050669 0.00000000000000 0.97711647863370 88.906 > 12 143 Y 0.58793299050669 0.33333333333333 0.97711647863370 88.906 > 12 144 Y 0.58793299050669 0.66666666666667 0.97711647863370 88.906 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8174681 0.0000000 0.2170847 0.0000000 4.3413358 0.0000000 0.2170827 0.0000000 4.0767409 -------------------------- Born effective charges -------------------------- 1 N -2.3178603 0.0000000 -0.2333623 0.0000000 -3.6668858 0.0000000 -0.1884731 0.0000000 -2.9502519 2 N -2.3178603 0.0000000 -0.2333623 0.0000000 -3.6668858 0.0000000 -0.1884731 0.0000000 -2.9502519 3 Cl -0.9939486 0.0000000 -0.1264761 0.0000000 -1.1115138 0.0000000 -0.1286545 0.0000000 -0.9270496 4 Cl -0.9939486 0.0000000 -0.1264761 0.0000000 -1.1115138 0.0000000 -0.1286545 0.0000000 -0.9270496 5 Cl -0.7576302 0.0000000 -0.3164538 0.0000000 -1.2571053 0.0000000 -0.4125604 0.0000000 -1.7808527 6 Cl -0.7576302 0.0000000 -0.3164538 0.0000000 -1.2571053 0.0000000 -0.4125604 0.0000000 -1.7808527 7 Cl -1.5688580 0.0000000 0.0259050 0.0000000 -1.0557198 0.0000000 0.0358950 0.0000000 -0.9050196 8 Cl -1.5688580 0.0000000 0.0259050 0.0000000 -1.0557198 0.0000000 0.0358950 0.0000000 -0.9050196 9 Y 2.4648621 0.0000000 0.3082644 0.0000000 4.4410618 0.0000000 0.5341932 0.0000000 3.6812900 10 Y 2.4648621 0.0000000 0.3082644 0.0000000 4.4410618 0.0000000 0.5341932 0.0000000 3.6812900 11 Y 3.1734351 0.0000000 0.3421229 0.0000000 2.6501629 0.0000000 0.1595997 0.0000000 2.8818838 12 Y 3.1734351 0.0000000 0.3421229 0.0000000 2.6501629 0.0000000 0.1595997 0.0000000 2.8818838 ---------------------------------------------------------------------------- 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: 9540/9540 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2160 Number of blocks in projector: 2160 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) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 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: - (2160, 2131), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 18), data: (576, 29) @ (29, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.747 Solver_block: 200 / 400 - Time: 0.710 Solver_block: 300 / 400 - Time: 0.704 Solver_block: 400 / 400 - Time: 0.703 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.946 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9540/9540 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2160 Number of blocks in projector: 2160 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) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 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: - (2160, 2131), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 18), data: (576, 29) @ (29, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:21:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:21:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.802116331097499 -1.894954880000000 0.000000000000000 b 7.802116331097499 1.894954880000000 0.000000000000000 c -5.298823493165275 0.000000000000000 9.023875348505616 Atomic positions (fractional): 1 N 0.57673540537049 0.57673540537049 0.15709913839660 14.007 2 N 0.42326459462951 0.42326459462951 0.84290086160340 14.007 3 Cl 0.94966025604911 0.94966025604911 0.25271349189709 35.453 4 Cl 0.05033974395089 0.05033974395089 0.74728650810291 35.453 5 Cl 0.33765084459445 0.33765084459445 0.48829799930874 35.453 6 Cl 0.66234915540556 0.66234915540555 0.51170200069126 35.453 7 Cl 0.22735370262010 0.22735370262010 0.11615907859722 35.453 8 Cl 0.77264629737990 0.77264629737990 0.88384092140278 35.453 9 Y 0.13757742926526 0.13757742926526 0.29279931862732 88.906 10 Y 0.86242257073474 0.86242257073474 0.70720068137268 88.906 11 Y 0.41206700949331 0.41206700949331 0.04576704273260 88.906 12 Y 0.58793299050669 0.58793299050669 0.95423295726740 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.604232662194999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.369729280000000 0.000000000000000 c -10.597646986330551 0.000000000000000 18.047750697011232 Atomic positions (fractional): 1 N 0.07673540537049 0.16666666666667 0.07854956919830 14.007 > 1 2 N 0.07673540537049 0.50000000000000 0.07854956919830 14.007 > 1 3 N 0.07673540537049 0.83333333333333 0.07854956919830 14.007 > 1 4 N 0.07673540537049 0.16666666666667 0.57854956919830 14.007 > 1 5 N 0.07673540537049 0.50000000000000 0.57854956919830 14.007 > 1 6 N 0.07673540537049 0.83333333333333 0.57854956919830 14.007 > 1 7 N 0.92326459462951 0.16666666666667 0.42145043080170 14.007 > 7 8 N 0.92326459462951 0.50000000000000 0.42145043080170 14.007 > 7 9 N 0.92326459462951 0.83333333333333 0.42145043080170 14.007 > 7 10 N 0.92326459462951 0.16666666666667 0.92145043080170 14.007 > 7 11 N 0.92326459462951 0.50000000000000 0.92145043080170 14.007 > 7 12 N 0.92326459462951 0.83333333333333 0.92145043080170 14.007 > 7 13 N 0.57673540537049 0.00000000000000 0.07854956919830 14.007 > 1 14 N 0.57673540537049 0.33333333333333 0.07854956919830 14.007 > 1 15 N 0.57673540537049 0.66666666666667 0.07854956919830 14.007 > 1 16 N 0.57673540537049 0.00000000000000 0.57854956919830 14.007 > 1 17 N 0.57673540537049 0.33333333333333 0.57854956919830 14.007 > 1 18 N 0.57673540537049 0.66666666666667 0.57854956919830 14.007 > 1 19 N 0.42326459462951 0.00000000000000 0.42145043080170 14.007 > 7 20 N 0.42326459462951 0.33333333333333 0.42145043080170 14.007 > 7 21 N 0.42326459462951 0.66666666666667 0.42145043080170 14.007 > 7 22 N 0.42326459462951 0.00000000000000 0.92145043080170 14.007 > 7 23 N 0.42326459462951 0.33333333333333 0.92145043080170 14.007 > 7 24 N 0.42326459462951 0.66666666666667 0.92145043080170 14.007 > 7 25 Cl 0.94966025604911 0.00000000000000 0.12635674594854 35.453 > 25 26 Cl 0.94966025604911 0.33333333333333 0.12635674594854 35.453 > 25 27 Cl 0.94966025604911 0.66666666666667 0.12635674594854 35.453 > 25 28 Cl 0.94966025604911 0.00000000000000 0.62635674594854 35.453 > 25 29 Cl 0.94966025604911 0.33333333333333 0.62635674594854 35.453 > 25 30 Cl 0.94966025604911 0.66666666666667 0.62635674594854 35.453 > 25 31 Cl 0.05033974395089 0.00000000000000 0.37364325405146 35.453 > 31 32 Cl 0.05033974395089 0.33333333333333 0.37364325405146 35.453 > 31 33 Cl 0.05033974395089 0.66666666666667 0.37364325405146 35.453 > 31 34 Cl 0.05033974395089 0.00000000000000 0.87364325405146 35.453 > 31 35 Cl 0.05033974395089 0.33333333333333 0.87364325405146 35.453 > 31 36 Cl 0.05033974395089 0.66666666666667 0.87364325405146 35.453 > 31 37 Cl 0.83765084459445 0.16666666666667 0.24414899965437 35.453 > 37 38 Cl 0.83765084459445 0.50000000000000 0.24414899965437 35.453 > 37 39 Cl 0.83765084459445 0.83333333333333 0.24414899965437 35.453 > 37 40 Cl 0.83765084459445 0.16666666666667 0.74414899965437 35.453 > 37 41 Cl 0.83765084459445 0.50000000000000 0.74414899965437 35.453 > 37 42 Cl 0.83765084459445 0.83333333333333 0.74414899965437 35.453 > 37 43 Cl 0.16234915540556 0.16666666666667 0.25585100034563 35.453 > 43 44 Cl 0.16234915540556 0.50000000000000 0.25585100034563 35.453 > 43 45 Cl 0.16234915540556 0.83333333333333 0.25585100034563 35.453 > 43 46 Cl 0.16234915540556 0.16666666666667 0.75585100034563 35.453 > 43 47 Cl 0.16234915540556 0.50000000000000 0.75585100034563 35.453 > 43 48 Cl 0.16234915540556 0.83333333333333 0.75585100034563 35.453 > 43 49 Cl 0.72735370262010 0.16666666666667 0.05807953929861 35.453 > 49 50 Cl 0.72735370262010 0.50000000000000 0.05807953929861 35.453 > 49 51 Cl 0.72735370262010 0.83333333333333 0.05807953929861 35.453 > 49 52 Cl 0.72735370262010 0.16666666666667 0.55807953929861 35.453 > 49 53 Cl 0.72735370262010 0.50000000000000 0.55807953929861 35.453 > 49 54 Cl 0.72735370262010 0.83333333333333 0.55807953929861 35.453 > 49 55 Cl 0.27264629737990 0.16666666666667 0.44192046070139 35.453 > 55 56 Cl 0.27264629737990 0.50000000000000 0.44192046070139 35.453 > 55 57 Cl 0.27264629737990 0.83333333333333 0.44192046070139 35.453 > 55 58 Cl 0.27264629737990 0.16666666666667 0.94192046070139 35.453 > 55 59 Cl 0.27264629737990 0.50000000000000 0.94192046070139 35.453 > 55 60 Cl 0.27264629737990 0.83333333333333 0.94192046070139 35.453 > 55 61 Cl 0.44966025604912 0.16666666666667 0.12635674594854 35.453 > 25 62 Cl 0.44966025604912 0.50000000000000 0.12635674594854 35.453 > 25 63 Cl 0.44966025604912 0.83333333333333 0.12635674594854 35.453 > 25 64 Cl 0.44966025604912 0.16666666666667 0.62635674594854 35.453 > 25 65 Cl 0.44966025604912 0.50000000000000 0.62635674594854 35.453 > 25 66 Cl 0.44966025604912 0.83333333333333 0.62635674594854 35.453 > 25 67 Cl 0.55033974395089 0.16666666666667 0.37364325405146 35.453 > 31 68 Cl 0.55033974395089 0.50000000000000 0.37364325405146 35.453 > 31 69 Cl 0.55033974395089 0.83333333333333 0.37364325405146 35.453 > 31 70 Cl 0.55033974395089 0.16666666666667 0.87364325405146 35.453 > 31 71 Cl 0.55033974395089 0.50000000000000 0.87364325405146 35.453 > 31 72 Cl 0.55033974395089 0.83333333333333 0.87364325405146 35.453 > 31 73 Cl 0.33765084459444 0.00000000000000 0.24414899965437 35.453 > 37 74 Cl 0.33765084459444 0.33333333333333 0.24414899965437 35.453 > 37 75 Cl 0.33765084459444 0.66666666666667 0.24414899965437 35.453 > 37 76 Cl 0.33765084459444 0.00000000000000 0.74414899965437 35.453 > 37 77 Cl 0.33765084459444 0.33333333333333 0.74414899965437 35.453 > 37 78 Cl 0.33765084459444 0.66666666666667 0.74414899965437 35.453 > 37 79 Cl 0.66234915540555 0.00000000000000 0.25585100034563 35.453 > 43 80 Cl 0.66234915540555 0.33333333333333 0.25585100034563 35.453 > 43 81 Cl 0.66234915540555 0.66666666666667 0.25585100034563 35.453 > 43 82 Cl 0.66234915540555 0.00000000000000 0.75585100034563 35.453 > 43 83 Cl 0.66234915540555 0.33333333333333 0.75585100034563 35.453 > 43 84 Cl 0.66234915540555 0.66666666666667 0.75585100034563 35.453 > 43 85 Cl 0.22735370262010 0.00000000000000 0.05807953929861 35.453 > 49 86 Cl 0.22735370262010 0.33333333333333 0.05807953929861 35.453 > 49 87 Cl 0.22735370262010 0.66666666666667 0.05807953929861 35.453 > 49 88 Cl 0.22735370262010 0.00000000000000 0.55807953929861 35.453 > 49 89 Cl 0.22735370262010 0.33333333333333 0.55807953929861 35.453 > 49 90 Cl 0.22735370262010 0.66666666666667 0.55807953929861 35.453 > 49 91 Cl 0.77264629737990 0.00000000000000 0.44192046070139 35.453 > 55 92 Cl 0.77264629737990 0.33333333333333 0.44192046070139 35.453 > 55 93 Cl 0.77264629737990 0.66666666666667 0.44192046070139 35.453 > 55 94 Cl 0.77264629737990 0.00000000000000 0.94192046070139 35.453 > 55 95 Cl 0.77264629737990 0.33333333333333 0.94192046070139 35.453 > 55 96 Cl 0.77264629737990 0.66666666666667 0.94192046070139 35.453 > 55 97 Y 0.13757742926526 0.00000000000000 0.14639965931366 88.906 > 97 98 Y 0.13757742926526 0.33333333333333 0.14639965931366 88.906 > 97 99 Y 0.13757742926526 0.66666666666667 0.14639965931366 88.906 > 97 100 Y 0.13757742926526 0.00000000000000 0.64639965931366 88.906 > 97 101 Y 0.13757742926526 0.33333333333333 0.64639965931366 88.906 > 97 102 Y 0.13757742926526 0.66666666666667 0.64639965931366 88.906 > 97 103 Y 0.86242257073474 0.00000000000000 0.35360034068634 88.906 > 103 104 Y 0.86242257073474 0.33333333333333 0.35360034068634 88.906 > 103 105 Y 0.86242257073474 0.66666666666667 0.35360034068634 88.906 > 103 106 Y 0.86242257073474 0.00000000000000 0.85360034068634 88.906 > 103 107 Y 0.86242257073474 0.33333333333333 0.85360034068634 88.906 > 103 108 Y 0.86242257073474 0.66666666666667 0.85360034068634 88.906 > 103 109 Y 0.91206700949331 0.16666666666667 0.02288352136630 88.906 > 109 110 Y 0.91206700949331 0.50000000000000 0.02288352136630 88.906 > 109 111 Y 0.91206700949331 0.83333333333333 0.02288352136630 88.906 > 109 112 Y 0.91206700949331 0.16666666666667 0.52288352136630 88.906 > 109 113 Y 0.91206700949331 0.50000000000000 0.52288352136630 88.906 > 109 114 Y 0.91206700949331 0.83333333333333 0.52288352136630 88.906 > 109 115 Y 0.08793299050669 0.16666666666667 0.47711647863370 88.906 > 115 116 Y 0.08793299050669 0.50000000000000 0.47711647863370 88.906 > 115 117 Y 0.08793299050669 0.83333333333333 0.47711647863370 88.906 > 115 118 Y 0.08793299050669 0.16666666666667 0.97711647863370 88.906 > 115 119 Y 0.08793299050669 0.50000000000000 0.97711647863370 88.906 > 115 120 Y 0.08793299050669 0.83333333333333 0.97711647863370 88.906 > 115 121 Y 0.63757742926526 0.16666666666667 0.14639965931366 88.906 > 97 122 Y 0.63757742926526 0.50000000000000 0.14639965931366 88.906 > 97 123 Y 0.63757742926526 0.83333333333333 0.14639965931366 88.906 > 97 124 Y 0.63757742926526 0.16666666666667 0.64639965931366 88.906 > 97 125 Y 0.63757742926526 0.50000000000000 0.64639965931366 88.906 > 97 126 Y 0.63757742926526 0.83333333333333 0.64639965931366 88.906 > 97 127 Y 0.36242257073474 0.16666666666667 0.35360034068634 88.906 > 103 128 Y 0.36242257073474 0.50000000000000 0.35360034068634 88.906 > 103 129 Y 0.36242257073474 0.83333333333333 0.35360034068634 88.906 > 103 130 Y 0.36242257073474 0.16666666666667 0.85360034068634 88.906 > 103 131 Y 0.36242257073474 0.50000000000000 0.85360034068634 88.906 > 103 132 Y 0.36242257073474 0.83333333333333 0.85360034068634 88.906 > 103 133 Y 0.41206700949331 0.00000000000000 0.02288352136630 88.906 > 109 134 Y 0.41206700949331 0.33333333333333 0.02288352136630 88.906 > 109 135 Y 0.41206700949331 0.66666666666667 0.02288352136630 88.906 > 109 136 Y 0.41206700949331 0.00000000000000 0.52288352136630 88.906 > 109 137 Y 0.41206700949331 0.33333333333333 0.52288352136630 88.906 > 109 138 Y 0.41206700949331 0.66666666666667 0.52288352136630 88.906 > 109 139 Y 0.58793299050669 0.00000000000000 0.47711647863370 88.906 > 115 140 Y 0.58793299050669 0.33333333333333 0.47711647863370 88.906 > 115 141 Y 0.58793299050669 0.66666666666667 0.47711647863370 88.906 > 115 142 Y 0.58793299050669 0.00000000000000 0.97711647863370 88.906 > 115 143 Y 0.58793299050669 0.33333333333333 0.97711647863370 88.906 > 115 144 Y 0.58793299050669 0.66666666666667 0.97711647863370 88.906 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8174681 0.0000000 0.2170847 0.0000000 4.3413358 0.0000000 0.2170827 0.0000000 4.0767409 -------------------------- Born effective charges -------------------------- 1 N -2.3178603 0.0000000 -0.2333623 0.0000000 -3.6668858 0.0000000 -0.1884731 0.0000000 -2.9502519 2 N -2.3178603 0.0000000 -0.2333623 0.0000000 -3.6668858 0.0000000 -0.1884731 0.0000000 -2.9502519 3 Cl -0.9939486 0.0000000 -0.1264761 0.0000000 -1.1115138 0.0000000 -0.1286545 0.0000000 -0.9270496 4 Cl -0.9939486 0.0000000 -0.1264761 0.0000000 -1.1115138 0.0000000 -0.1286545 0.0000000 -0.9270496 5 Cl -0.7576302 0.0000000 -0.3164538 0.0000000 -1.2571053 0.0000000 -0.4125604 0.0000000 -1.7808527 6 Cl -0.7576302 0.0000000 -0.3164538 0.0000000 -1.2571053 0.0000000 -0.4125604 0.0000000 -1.7808527 7 Cl -1.5688580 0.0000000 0.0259050 0.0000000 -1.0557198 0.0000000 0.0358950 0.0000000 -0.9050196 8 Cl -1.5688580 0.0000000 0.0259050 0.0000000 -1.0557198 0.0000000 0.0358950 0.0000000 -0.9050196 9 Y 2.4648621 0.0000000 0.3082644 0.0000000 4.4410618 0.0000000 0.5341932 0.0000000 3.6812900 10 Y 2.4648621 0.0000000 0.3082644 0.0000000 4.4410618 0.0000000 0.5341932 0.0000000 3.6812900 11 Y 3.1734351 0.0000000 0.3421229 0.0000000 2.6501629 0.0000000 0.1595997 0.0000000 2.8818838 12 Y 3.1734351 0.0000000 0.3421229 0.0000000 2.6501629 0.0000000 0.1595997 0.0000000 2.8818838 ---------------------------------------------------------------------------- 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 37, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 109, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:22:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:22:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.802116331097499 -1.894954880000000 0.000000000000000 b 7.802116331097499 1.894954880000000 0.000000000000000 c -5.298823493165275 0.000000000000000 9.023875348505616 Atomic positions (fractional): 1 N 0.57673540537049 0.57673540537049 0.15709913839660 14.007 2 N 0.42326459462951 0.42326459462951 0.84290086160340 14.007 3 Cl 0.94966025604911 0.94966025604911 0.25271349189709 35.453 4 Cl 0.05033974395089 0.05033974395089 0.74728650810291 35.453 5 Cl 0.33765084459445 0.33765084459445 0.48829799930874 35.453 6 Cl 0.66234915540556 0.66234915540555 0.51170200069126 35.453 7 Cl 0.22735370262010 0.22735370262010 0.11615907859722 35.453 8 Cl 0.77264629737990 0.77264629737990 0.88384092140278 35.453 9 Y 0.13757742926526 0.13757742926526 0.29279931862732 88.906 10 Y 0.86242257073474 0.86242257073474 0.70720068137268 88.906 11 Y 0.41206700949331 0.41206700949331 0.04576704273260 88.906 12 Y 0.58793299050669 0.58793299050669 0.95423295726740 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.604232662194999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.369729280000000 0.000000000000000 c -10.597646986330551 0.000000000000000 18.047750697011232 Atomic positions (fractional): 1 N 0.07673540537049 0.16666666666667 0.07854956919830 14.007 > 1 2 N 0.07673540537049 0.50000000000000 0.07854956919830 14.007 > 1 3 N 0.07673540537049 0.83333333333333 0.07854956919830 14.007 > 1 4 N 0.07673540537049 0.16666666666667 0.57854956919830 14.007 > 1 5 N 0.07673540537049 0.50000000000000 0.57854956919830 14.007 > 1 6 N 0.07673540537049 0.83333333333333 0.57854956919830 14.007 > 1 7 N 0.92326459462951 0.16666666666667 0.42145043080170 14.007 > 7 8 N 0.92326459462951 0.50000000000000 0.42145043080170 14.007 > 7 9 N 0.92326459462951 0.83333333333333 0.42145043080170 14.007 > 7 10 N 0.92326459462951 0.16666666666667 0.92145043080170 14.007 > 7 11 N 0.92326459462951 0.50000000000000 0.92145043080170 14.007 > 7 12 N 0.92326459462951 0.83333333333333 0.92145043080170 14.007 > 7 13 N 0.57673540537049 0.00000000000000 0.07854956919830 14.007 > 1 14 N 0.57673540537049 0.33333333333333 0.07854956919830 14.007 > 1 15 N 0.57673540537049 0.66666666666667 0.07854956919830 14.007 > 1 16 N 0.57673540537049 0.00000000000000 0.57854956919830 14.007 > 1 17 N 0.57673540537049 0.33333333333333 0.57854956919830 14.007 > 1 18 N 0.57673540537049 0.66666666666667 0.57854956919830 14.007 > 1 19 N 0.42326459462951 0.00000000000000 0.42145043080170 14.007 > 7 20 N 0.42326459462951 0.33333333333333 0.42145043080170 14.007 > 7 21 N 0.42326459462951 0.66666666666667 0.42145043080170 14.007 > 7 22 N 0.42326459462951 0.00000000000000 0.92145043080170 14.007 > 7 23 N 0.42326459462951 0.33333333333333 0.92145043080170 14.007 > 7 24 N 0.42326459462951 0.66666666666667 0.92145043080170 14.007 > 7 25 Cl 0.94966025604911 0.00000000000000 0.12635674594854 35.453 > 25 26 Cl 0.94966025604911 0.33333333333333 0.12635674594854 35.453 > 25 27 Cl 0.94966025604911 0.66666666666667 0.12635674594854 35.453 > 25 28 Cl 0.94966025604911 0.00000000000000 0.62635674594854 35.453 > 25 29 Cl 0.94966025604911 0.33333333333333 0.62635674594854 35.453 > 25 30 Cl 0.94966025604911 0.66666666666667 0.62635674594854 35.453 > 25 31 Cl 0.05033974395089 0.00000000000000 0.37364325405146 35.453 > 31 32 Cl 0.05033974395089 0.33333333333333 0.37364325405146 35.453 > 31 33 Cl 0.05033974395089 0.66666666666667 0.37364325405146 35.453 > 31 34 Cl 0.05033974395089 0.00000000000000 0.87364325405146 35.453 > 31 35 Cl 0.05033974395089 0.33333333333333 0.87364325405146 35.453 > 31 36 Cl 0.05033974395089 0.66666666666667 0.87364325405146 35.453 > 31 37 Cl 0.83765084459445 0.16666666666667 0.24414899965437 35.453 > 37 38 Cl 0.83765084459445 0.50000000000000 0.24414899965437 35.453 > 37 39 Cl 0.83765084459445 0.83333333333333 0.24414899965437 35.453 > 37 40 Cl 0.83765084459445 0.16666666666667 0.74414899965437 35.453 > 37 41 Cl 0.83765084459445 0.50000000000000 0.74414899965437 35.453 > 37 42 Cl 0.83765084459445 0.83333333333333 0.74414899965437 35.453 > 37 43 Cl 0.16234915540556 0.16666666666667 0.25585100034563 35.453 > 43 44 Cl 0.16234915540556 0.50000000000000 0.25585100034563 35.453 > 43 45 Cl 0.16234915540556 0.83333333333333 0.25585100034563 35.453 > 43 46 Cl 0.16234915540556 0.16666666666667 0.75585100034563 35.453 > 43 47 Cl 0.16234915540556 0.50000000000000 0.75585100034563 35.453 > 43 48 Cl 0.16234915540556 0.83333333333333 0.75585100034563 35.453 > 43 49 Cl 0.72735370262010 0.16666666666667 0.05807953929861 35.453 > 49 50 Cl 0.72735370262010 0.50000000000000 0.05807953929861 35.453 > 49 51 Cl 0.72735370262010 0.83333333333333 0.05807953929861 35.453 > 49 52 Cl 0.72735370262010 0.16666666666667 0.55807953929861 35.453 > 49 53 Cl 0.72735370262010 0.50000000000000 0.55807953929861 35.453 > 49 54 Cl 0.72735370262010 0.83333333333333 0.55807953929861 35.453 > 49 55 Cl 0.27264629737990 0.16666666666667 0.44192046070139 35.453 > 55 56 Cl 0.27264629737990 0.50000000000000 0.44192046070139 35.453 > 55 57 Cl 0.27264629737990 0.83333333333333 0.44192046070139 35.453 > 55 58 Cl 0.27264629737990 0.16666666666667 0.94192046070139 35.453 > 55 59 Cl 0.27264629737990 0.50000000000000 0.94192046070139 35.453 > 55 60 Cl 0.27264629737990 0.83333333333333 0.94192046070139 35.453 > 55 61 Cl 0.44966025604912 0.16666666666667 0.12635674594854 35.453 > 25 62 Cl 0.44966025604912 0.50000000000000 0.12635674594854 35.453 > 25 63 Cl 0.44966025604912 0.83333333333333 0.12635674594854 35.453 > 25 64 Cl 0.44966025604912 0.16666666666667 0.62635674594854 35.453 > 25 65 Cl 0.44966025604912 0.50000000000000 0.62635674594854 35.453 > 25 66 Cl 0.44966025604912 0.83333333333333 0.62635674594854 35.453 > 25 67 Cl 0.55033974395089 0.16666666666667 0.37364325405146 35.453 > 31 68 Cl 0.55033974395089 0.50000000000000 0.37364325405146 35.453 > 31 69 Cl 0.55033974395089 0.83333333333333 0.37364325405146 35.453 > 31 70 Cl 0.55033974395089 0.16666666666667 0.87364325405146 35.453 > 31 71 Cl 0.55033974395089 0.50000000000000 0.87364325405146 35.453 > 31 72 Cl 0.55033974395089 0.83333333333333 0.87364325405146 35.453 > 31 73 Cl 0.33765084459444 0.00000000000000 0.24414899965437 35.453 > 37 74 Cl 0.33765084459444 0.33333333333333 0.24414899965437 35.453 > 37 75 Cl 0.33765084459444 0.66666666666667 0.24414899965437 35.453 > 37 76 Cl 0.33765084459444 0.00000000000000 0.74414899965437 35.453 > 37 77 Cl 0.33765084459444 0.33333333333333 0.74414899965437 35.453 > 37 78 Cl 0.33765084459444 0.66666666666667 0.74414899965437 35.453 > 37 79 Cl 0.66234915540555 0.00000000000000 0.25585100034563 35.453 > 43 80 Cl 0.66234915540555 0.33333333333333 0.25585100034563 35.453 > 43 81 Cl 0.66234915540555 0.66666666666667 0.25585100034563 35.453 > 43 82 Cl 0.66234915540555 0.00000000000000 0.75585100034563 35.453 > 43 83 Cl 0.66234915540555 0.33333333333333 0.75585100034563 35.453 > 43 84 Cl 0.66234915540555 0.66666666666667 0.75585100034563 35.453 > 43 85 Cl 0.22735370262010 0.00000000000000 0.05807953929861 35.453 > 49 86 Cl 0.22735370262010 0.33333333333333 0.05807953929861 35.453 > 49 87 Cl 0.22735370262010 0.66666666666667 0.05807953929861 35.453 > 49 88 Cl 0.22735370262010 0.00000000000000 0.55807953929861 35.453 > 49 89 Cl 0.22735370262010 0.33333333333333 0.55807953929861 35.453 > 49 90 Cl 0.22735370262010 0.66666666666667 0.55807953929861 35.453 > 49 91 Cl 0.77264629737990 0.00000000000000 0.44192046070139 35.453 > 55 92 Cl 0.77264629737990 0.33333333333333 0.44192046070139 35.453 > 55 93 Cl 0.77264629737990 0.66666666666667 0.44192046070139 35.453 > 55 94 Cl 0.77264629737990 0.00000000000000 0.94192046070139 35.453 > 55 95 Cl 0.77264629737990 0.33333333333333 0.94192046070139 35.453 > 55 96 Cl 0.77264629737990 0.66666666666667 0.94192046070139 35.453 > 55 97 Y 0.13757742926526 0.00000000000000 0.14639965931366 88.906 > 97 98 Y 0.13757742926526 0.33333333333333 0.14639965931366 88.906 > 97 99 Y 0.13757742926526 0.66666666666667 0.14639965931366 88.906 > 97 100 Y 0.13757742926526 0.00000000000000 0.64639965931366 88.906 > 97 101 Y 0.13757742926526 0.33333333333333 0.64639965931366 88.906 > 97 102 Y 0.13757742926526 0.66666666666667 0.64639965931366 88.906 > 97 103 Y 0.86242257073474 0.00000000000000 0.35360034068634 88.906 > 103 104 Y 0.86242257073474 0.33333333333333 0.35360034068634 88.906 > 103 105 Y 0.86242257073474 0.66666666666667 0.35360034068634 88.906 > 103 106 Y 0.86242257073474 0.00000000000000 0.85360034068634 88.906 > 103 107 Y 0.86242257073474 0.33333333333333 0.85360034068634 88.906 > 103 108 Y 0.86242257073474 0.66666666666667 0.85360034068634 88.906 > 103 109 Y 0.91206700949331 0.16666666666667 0.02288352136630 88.906 > 109 110 Y 0.91206700949331 0.50000000000000 0.02288352136630 88.906 > 109 111 Y 0.91206700949331 0.83333333333333 0.02288352136630 88.906 > 109 112 Y 0.91206700949331 0.16666666666667 0.52288352136630 88.906 > 109 113 Y 0.91206700949331 0.50000000000000 0.52288352136630 88.906 > 109 114 Y 0.91206700949331 0.83333333333333 0.52288352136630 88.906 > 109 115 Y 0.08793299050669 0.16666666666667 0.47711647863370 88.906 > 115 116 Y 0.08793299050669 0.50000000000000 0.47711647863370 88.906 > 115 117 Y 0.08793299050669 0.83333333333333 0.47711647863370 88.906 > 115 118 Y 0.08793299050669 0.16666666666667 0.97711647863370 88.906 > 115 119 Y 0.08793299050669 0.50000000000000 0.97711647863370 88.906 > 115 120 Y 0.08793299050669 0.83333333333333 0.97711647863370 88.906 > 115 121 Y 0.63757742926526 0.16666666666667 0.14639965931366 88.906 > 97 122 Y 0.63757742926526 0.50000000000000 0.14639965931366 88.906 > 97 123 Y 0.63757742926526 0.83333333333333 0.14639965931366 88.906 > 97 124 Y 0.63757742926526 0.16666666666667 0.64639965931366 88.906 > 97 125 Y 0.63757742926526 0.50000000000000 0.64639965931366 88.906 > 97 126 Y 0.63757742926526 0.83333333333333 0.64639965931366 88.906 > 97 127 Y 0.36242257073474 0.16666666666667 0.35360034068634 88.906 > 103 128 Y 0.36242257073474 0.50000000000000 0.35360034068634 88.906 > 103 129 Y 0.36242257073474 0.83333333333333 0.35360034068634 88.906 > 103 130 Y 0.36242257073474 0.16666666666667 0.85360034068634 88.906 > 103 131 Y 0.36242257073474 0.50000000000000 0.85360034068634 88.906 > 103 132 Y 0.36242257073474 0.83333333333333 0.85360034068634 88.906 > 103 133 Y 0.41206700949331 0.00000000000000 0.02288352136630 88.906 > 109 134 Y 0.41206700949331 0.33333333333333 0.02288352136630 88.906 > 109 135 Y 0.41206700949331 0.66666666666667 0.02288352136630 88.906 > 109 136 Y 0.41206700949331 0.00000000000000 0.52288352136630 88.906 > 109 137 Y 0.41206700949331 0.33333333333333 0.52288352136630 88.906 > 109 138 Y 0.41206700949331 0.66666666666667 0.52288352136630 88.906 > 109 139 Y 0.58793299050669 0.00000000000000 0.47711647863370 88.906 > 115 140 Y 0.58793299050669 0.33333333333333 0.47711647863370 88.906 > 115 141 Y 0.58793299050669 0.66666666666667 0.47711647863370 88.906 > 115 142 Y 0.58793299050669 0.00000000000000 0.97711647863370 88.906 > 115 143 Y 0.58793299050669 0.33333333333333 0.97711647863370 88.906 > 115 144 Y 0.58793299050669 0.66666666666667 0.97711647863370 88.906 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8174681 0.0000000 0.2170847 0.0000000 4.3413358 0.0000000 0.2170827 0.0000000 4.0767409 -------------------------- Born effective charges -------------------------- 1 N -2.3178603 0.0000000 -0.2333623 0.0000000 -3.6668858 0.0000000 -0.1884731 0.0000000 -2.9502519 2 N -2.3178603 0.0000000 -0.2333623 0.0000000 -3.6668858 0.0000000 -0.1884731 0.0000000 -2.9502519 3 Cl -0.9939486 0.0000000 -0.1264761 0.0000000 -1.1115138 0.0000000 -0.1286545 0.0000000 -0.9270496 4 Cl -0.9939486 0.0000000 -0.1264761 0.0000000 -1.1115138 0.0000000 -0.1286545 0.0000000 -0.9270496 5 Cl -0.7576302 0.0000000 -0.3164538 0.0000000 -1.2571053 0.0000000 -0.4125604 0.0000000 -1.7808527 6 Cl -0.7576302 0.0000000 -0.3164538 0.0000000 -1.2571053 0.0000000 -0.4125604 0.0000000 -1.7808527 7 Cl -1.5688580 0.0000000 0.0259050 0.0000000 -1.0557198 0.0000000 0.0358950 0.0000000 -0.9050196 8 Cl -1.5688580 0.0000000 0.0259050 0.0000000 -1.0557198 0.0000000 0.0358950 0.0000000 -0.9050196 9 Y 2.4648621 0.0000000 0.3082644 0.0000000 4.4410618 0.0000000 0.5341932 0.0000000 3.6812900 10 Y 2.4648621 0.0000000 0.3082644 0.0000000 4.4410618 0.0000000 0.5341932 0.0000000 3.6812900 11 Y 3.1734351 0.0000000 0.3421229 0.0000000 2.6501629 0.0000000 0.1595997 0.0000000 2.8818838 12 Y 3.1734351 0.0000000 0.3421229 0.0000000 2.6501629 0.0000000 0.1595997 0.0000000 2.8818838 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 6 ] 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: 0.65, Number of G-points: 309, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/324) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 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 2.374 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 2.987 ( 0.000 0.000 0.000) 0.000 3.385 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.081 ( 0.000 0.000 0.000) 0.000 4.538 ( 0.000 0.000 0.000) 0.000 4.687 ( 0.000 0.000 0.000) 0.000 5.038 ( 0.000 0.000 0.000) 0.000 5.104 ( 0.000 0.000 0.000) 0.000 5.455 ( 0.000 0.000 0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 5.600 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 5.920 ( 0.000 0.000 0.000) 0.000 6.237 ( 0.000 0.000 0.000) 0.000 6.437 ( 0.000 0.000 0.000) 0.000 6.596 ( 0.000 0.000 0.000) 0.000 6.854 ( 0.000 0.000 0.000) 0.000 6.954 ( 0.000 0.000 0.000) 0.000 6.998 ( 0.000 0.000 0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 7.380 ( 0.000 0.000 0.000) 0.000 7.957 ( 0.000 0.000 0.000) 0.000 8.471 ( 0.000 0.000 0.000) 0.000 11.126 ( 0.000 0.000 0.000) 0.000 12.143 ( 0.000 0.000 0.000) 0.000 13.599 ( 0.000 0.000 0.000) 0.000 15.322 ( 0.000 0.000 0.000) 0.000 16.835 ( 0.000 0.000 0.000) 0.000 18.162 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/324) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( 3.508 -19.517 11.462) 22.904 0.468 ( 1.336 -23.718 8.007) 25.069 0.979 ( 6.102 -48.705 4.011) 49.249 2.392 ( -3.285 -3.722 -6.828) 8.442 2.751 ( -3.000 -20.658 -9.718) 23.026 3.031 ( 3.334 -6.140 8.442) 10.958 3.111 ( -1.422 -12.769 1.199) 12.903 3.371 ( 0.128 1.283 5.420) 5.571 3.758 ( 0.337 -3.623 1.851) 4.082 4.148 ( -0.300 -6.294 -0.213) 6.305 4.533 ( -8.818 -1.774 7.989) 12.030 4.552 ( -0.268 0.168 -20.339) 20.342 4.801 ( -5.927 -10.661 -7.216) 14.172 5.030 ( -0.749 1.428 -4.449) 4.732 5.132 ( 4.718 -1.339 2.883) 5.689 5.435 ( 2.737 2.685 6.517) 7.561 5.578 ( -4.606 -3.535 -4.053) 7.081 5.651 ( 3.620 -2.766 1.882) 4.929 5.770 ( 0.790 2.429 0.179) 2.560 5.923 ( 1.569 0.743 4.627) 4.942 6.249 ( 2.698 2.106 2.986) 4.542 6.432 ( 2.700 1.295 -0.033) 2.995 6.558 ( -0.354 5.642 5.714) 8.038 6.804 ( -3.293 2.978 -3.662) 5.755 6.881 ( 1.328 6.427 1.689) 6.776 7.123 ( 0.741 -4.648 0.335) 4.718 7.326 ( 1.078 5.319 1.165) 5.551 7.381 ( 4.694 -3.825 2.213) 6.447 7.898 ( 1.342 7.600 2.850) 8.227 8.404 ( -0.861 6.498 -0.917) 6.618 11.261 ( 0.079 -13.586 0.088) 13.586 13.590 ( -0.248 0.901 -0.096) 0.940 14.879 ( -66.259 -32.839 -88.721) 115.499 15.870 ( 4.522 17.411 97.818) 99.459 16.827 ( 29.886 9.702 -18.873) 36.654 18.085 ( -0.634 7.646 -0.739) 7.708 ======================= Grid point 2 (3/324) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 0.835 -22.525 6.941) 23.585 0.953 ( 1.210 -24.736 8.951) 26.333 1.891 ( 4.809 -43.816 3.565) 44.223 2.450 ( -5.579 -7.390 -12.032) 15.183 3.057 ( -3.816 -14.528 -11.968) 19.205 3.232 ( 2.071 -4.324 9.280) 10.446 3.409 ( 2.990 -15.527 10.713) 19.099 3.514 ( -1.509 -21.591 2.883) 21.835 3.866 ( 0.285 -6.780 3.688) 7.724 4.271 ( -1.337 -6.826 -1.451) 7.105 4.501 ( -0.409 0.061 -14.820) 14.825 4.576 ( -2.958 -3.960 5.240) 7.204 4.892 ( 0.011 -0.402 -1.121) 1.191 5.017 ( -2.339 -2.648 -5.903) 6.880 5.238 ( -0.852 -9.034 -3.918) 9.884 5.438 ( 0.260 -1.111 3.571) 3.749 5.603 ( -3.928 -2.064 -1.411) 4.656 5.693 ( 2.497 3.130 -0.435) 4.027 5.764 ( 2.159 -4.002 -0.006) 4.547 5.932 ( 1.232 0.380 5.588) 5.734 6.231 ( -2.057 -0.009 -1.473) 2.530 6.402 ( 3.085 4.033 -3.188) 5.995 6.448 ( -1.618 5.499 6.749) 8.855 6.721 ( -1.852 3.968 -2.959) 5.285 6.762 ( -1.010 5.499 0.108) 5.592 7.187 ( 4.554 10.679 3.874) 12.239 7.216 ( 1.024 -4.047 1.237) 4.354 7.491 ( 2.240 -4.295 0.909) 4.929 7.728 ( 1.104 10.497 1.418) 10.650 8.232 ( -1.576 10.045 -1.509) 10.280 11.594 ( 0.345 -20.131 0.688) 20.146 13.566 ( -0.231 1.420 -0.055) 1.440 14.958 ( -19.911 -12.586 -30.676) 38.677 15.818 ( -6.139 6.366 36.412) 37.471 16.687 ( 14.879 12.093 -6.935) 20.389 17.880 ( -1.150 12.772 -1.574) 12.920 ======================= Grid point 3 (4/324) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -2.374 -23.079 4.152) 23.569 1.458 ( 1.796 -25.548 8.198) 26.892 2.549 ( -6.068 -10.997 -13.629) 18.534 2.673 ( 1.757 -34.628 0.937) 34.686 3.228 ( -0.162 -4.225 1.554) 4.505 3.301 ( -0.733 -5.575 7.369) 9.269 3.773 ( -0.504 -19.001 2.143) 19.128 3.928 ( 0.045 -14.702 -1.981) 14.835 4.056 ( 2.178 -12.167 9.800) 15.774 4.414 ( -1.680 -11.149 -1.917) 11.437 4.471 ( -2.070 -1.738 -12.541) 12.829 4.663 ( 0.137 -3.921 3.563) 5.300 4.871 ( 2.698 2.313 2.749) 4.492 5.048 ( -0.618 -2.640 -3.082) 4.105 5.390 ( -2.284 -8.454 -6.245) 10.755 5.466 ( -1.059 -0.366 -2.801) 3.017 5.630 ( -4.775 -0.417 -1.524) 5.029 5.643 ( 3.995 -0.413 3.810) 5.536 5.861 ( 2.474 -3.985 0.628) 4.732 5.951 ( -0.727 -1.235 1.908) 2.386 6.208 ( -4.286 1.803 -3.979) 6.120 6.305 ( -0.293 2.805 0.867) 2.950 6.399 ( 2.125 2.844 3.080) 4.700 6.590 ( -0.030 8.036 -0.062) 8.036 6.711 ( -2.785 -0.209 -2.958) 4.068 6.997 ( 5.880 12.354 5.116) 14.607 7.268 ( 1.259 2.303 1.779) 3.171 7.483 ( -2.581 3.027 -2.573) 4.738 7.640 ( 4.441 -0.188 2.748) 5.226 8.036 ( -1.782 8.449 -1.366) 8.743 11.974 ( 0.570 -18.336 1.236) 18.386 13.537 ( -0.027 1.424 0.088) 1.427 14.980 ( -3.132 -0.302 -5.319) 6.180 15.782 ( -10.256 0.050 10.321) 14.550 16.480 ( 9.113 14.052 -2.974) 17.010 17.608 ( -1.382 14.362 -2.106) 14.581 ======================= Grid point 4 (5/324) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -4.591 -21.738 3.328) 22.465 1.969 ( 2.108 -25.546 5.123) 26.140 2.695 ( -5.580 -11.469 -13.340) 18.456 3.204 ( -1.884 -19.281 -2.193) 19.497 3.243 ( -0.790 1.367 7.608) 7.770 3.494 ( -0.837 -12.441 5.080) 13.464 4.083 ( -0.672 -9.085 -0.733) 9.140 4.098 ( -2.189 -10.962 -1.695) 11.306 4.296 ( 5.714 -8.351 7.018) 12.315 4.492 ( -2.604 -4.948 -8.875) 10.489 4.616 ( 0.396 -6.682 -2.447) 7.127 4.754 ( 1.669 -5.105 4.980) 7.324 4.854 ( 3.263 2.521 7.212) 8.307 5.114 ( -1.539 -5.955 -1.719) 6.386 5.416 ( 4.816 3.073 -1.071) 5.812 5.498 ( -1.610 -2.780 -5.165) 6.083 5.589 ( -4.197 0.007 -4.085) 5.857 5.752 ( 0.765 -7.525 2.643) 8.012 5.905 ( 0.357 0.409 -0.249) 0.597 5.979 ( -2.709 -1.527 0.110) 3.112 6.121 ( -1.511 2.621 -3.568) 4.677 6.307 ( -1.988 -0.072 1.313) 2.384 6.366 ( 1.629 1.478 0.390) 2.234 6.450 ( -0.762 5.435 -0.170) 5.491 6.656 ( 1.895 7.561 1.921) 8.028 6.859 ( 2.680 3.654 -0.239) 4.538 7.118 ( -0.771 10.419 0.107) 10.448 7.511 ( -0.664 -5.385 -1.917) 5.755 7.679 ( 2.682 -1.328 2.896) 4.164 7.921 ( -0.885 2.822 -0.819) 3.069 12.260 ( 0.311 -10.896 0.829) 10.932 13.515 ( 0.184 1.056 0.241) 1.099 14.932 ( 1.711 4.157 5.593) 7.176 15.768 ( -8.936 -1.502 -0.836) 9.100 16.239 ( 5.442 13.954 -1.572) 15.060 17.334 ( -1.192 13.146 -1.846) 13.329 ======================= Grid point 5 (6/324) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -5.380 -18.750 2.658) 19.687 2.453 ( 1.890 -23.466 1.160) 23.571 2.846 ( -3.887 -9.637 -9.217) 13.890 3.190 ( -0.927 4.618 7.459) 8.822 3.437 ( -3.408 -9.576 -6.578) 12.107 3.739 ( -1.652 -10.703 3.455) 11.368 4.153 ( -3.145 -3.521 -6.271) 7.850 4.267 ( 2.699 -2.625 9.857) 10.552 4.471 ( 1.335 -7.014 1.057) 7.218 4.564 ( -1.783 -3.877 -2.609) 5.002 4.662 ( 4.879 0.474 -2.453) 5.481 4.825 ( 0.842 1.985 6.214) 6.578 4.883 ( 2.911 -4.703 4.035) 6.847 5.215 ( -4.009 -4.912 -0.849) 6.397 5.426 ( 9.798 -0.689 1.083) 9.882 5.474 ( -3.696 0.365 -3.693) 5.238 5.574 ( -0.736 0.102 -1.200) 1.411 5.869 ( -0.171 2.315 -1.507) 2.768 5.901 ( -2.931 -6.157 -4.295) 8.059 5.981 ( -1.201 -1.361 3.207) 3.685 6.091 ( 1.477 0.709 -3.235) 3.626 6.229 ( -2.839 5.280 -0.489) 6.015 6.340 ( -0.164 2.697 0.483) 2.745 6.440 ( -0.699 -2.460 1.040) 2.761 6.499 ( 3.524 8.410 2.315) 9.408 6.822 ( -0.050 3.367 -0.617) 3.424 6.958 ( -0.312 4.023 -2.628) 4.815 7.616 ( -0.663 -6.070 -0.866) 6.168 7.754 ( 0.988 -4.990 2.138) 5.518 7.891 ( 0.550 0.805 -0.485) 1.089 12.386 ( -0.338 -2.842 -0.275) 2.875 13.501 ( 0.277 0.586 0.308) 0.718 14.895 ( 2.216 2.349 7.891) 8.526 15.746 ( -5.986 -0.474 -3.648) 7.026 16.012 ( 2.848 11.304 -1.180) 11.717 17.103 ( -0.688 10.268 -0.958) 10.336 ======================= Grid point 6 (7/324) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -4.401 -12.684 1.095) 13.470 2.844 ( 1.694 -15.760 -1.571) 15.928 2.954 ( -1.579 -4.266 -1.694) 4.854 3.119 ( -0.753 2.971 1.746) 3.527 3.554 ( -1.986 -6.008 -4.705) 7.885 3.866 ( -2.973 -3.629 -0.493) 4.717 4.164 ( 0.500 1.843 0.017) 1.909 4.296 ( 1.732 -0.150 7.591) 7.787 4.540 ( -0.517 5.057 -0.298) 5.092 4.588 ( -1.242 -4.563 1.275) 4.897 4.694 ( 2.915 -2.778 -1.705) 4.373 4.793 ( 1.844 2.385 1.580) 3.403 4.999 ( 1.997 -4.289 1.623) 5.002 5.246 ( -5.408 -1.004 -1.837) 5.799 5.440 ( 1.662 -1.069 0.868) 2.158 5.521 ( 2.092 -0.467 0.632) 2.235 5.593 ( 3.215 -3.363 -0.094) 4.653 5.809 ( 0.567 3.101 -2.262) 3.880 5.939 ( -3.653 -2.346 -0.044) 4.342 6.042 ( 1.171 -2.038 -0.652) 2.439 6.064 ( -0.128 1.651 -1.840) 2.476 6.128 ( -1.990 3.618 -0.803) 4.207 6.285 ( 1.564 2.956 1.104) 3.522 6.374 ( 1.771 4.535 2.433) 5.442 6.517 ( -2.925 -4.285 -3.029) 6.008 6.717 ( 0.157 6.174 1.478) 6.351 6.955 ( 0.422 -2.070 -1.835) 2.798 7.718 ( -0.789 -4.880 0.313) 4.953 7.839 ( -0.891 -1.504 -1.516) 2.314 7.894 ( 2.075 -1.611 1.516) 3.033 12.393 ( -0.547 0.798 -0.689) 1.188 13.496 ( 0.199 0.227 0.220) 0.374 14.902 ( 1.465 0.192 5.418) 5.616 15.717 ( -3.021 0.339 -2.645) 4.029 15.850 ( 1.090 6.162 -0.942) 6.328 16.944 ( -0.225 5.864 -0.201) 5.872 ======================= Grid point 7 (8/324) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 0.000 -0.000 -0.000) 0.000 2.972 ( 0.000 -0.000 0.000) 0.000 3.003 ( 0.000 -0.000 0.000) 0.000 3.106 ( 0.000 -0.000 -0.000) 0.000 3.608 ( 0.000 -0.000 0.000) 0.000 3.882 ( 0.000 -0.000 0.000) 0.000 4.120 ( 0.000 -0.000 0.000) 0.000 4.378 ( 0.000 0.000 -0.000) 0.000 4.422 ( 0.000 -0.000 0.000) 0.000 4.641 ( 0.000 -0.000 -0.000) 0.000 4.725 ( -0.000 -0.000 0.000) 0.000 4.779 ( -0.000 -0.000 0.000) 0.000 5.052 ( -0.000 0.000 -0.000) 0.000 5.225 ( 0.000 -0.000 -0.000) 0.000 5.487 ( 0.000 -0.000 0.000) 0.000 5.502 ( -0.000 0.000 -0.000) 0.000 5.660 ( 0.000 -0.000 -0.000) 0.000 5.765 ( 0.000 -0.000 0.000) 0.000 5.959 ( 0.000 -0.000 0.000) 0.000 6.043 ( -0.000 -0.000 0.000) 0.000 6.052 ( 0.000 -0.000 -0.000) 0.000 6.083 ( 0.000 -0.000 -0.000) 0.000 6.268 ( -0.000 -0.000 -0.000) 0.000 6.337 ( 0.000 -0.000 -0.000) 0.000 6.558 ( 0.000 0.000 0.000) 0.000 6.646 ( -0.000 -0.000 -0.000) 0.000 6.978 ( 0.000 -0.000 -0.000) 0.000 7.776 ( 0.000 0.000 0.000) 0.000 7.825 ( 0.000 -0.000 0.000) 0.000 7.931 ( 0.000 -0.000 -0.000) 0.000 12.379 ( 0.000 -0.000 0.000) 0.000 13.494 ( 0.000 -0.000 0.000) 0.000 14.913 ( 0.000 -0.000 0.000) 0.000 15.701 ( 0.000 -0.000 0.000) 0.000 15.793 ( 0.000 -0.000 -0.000) 0.000 16.887 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 16 (9/324) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.192 ( 16.128 0.000 8.349) 18.160 0.268 ( 22.183 0.000 11.682) 25.071 0.436 ( 19.437 0.000 47.424) 51.253 2.311 ( -5.750 -0.000 -12.409) 13.677 2.491 ( -3.427 -0.000 -12.576) 13.034 2.973 ( -3.010 -0.000 0.189) 3.015 2.980 ( 4.268 0.000 11.720) 12.473 3.424 ( -1.171 -0.000 10.777) 10.841 3.736 ( 1.009 0.000 3.858) 3.988 4.037 ( -0.050 -0.000 -1.575) 1.576 4.081 ( 0.001 0.000 0.006) 0.006 4.551 ( 6.618 0.000 -12.232) 13.907 4.664 ( -2.577 -0.000 -3.892) 4.668 5.057 ( -2.151 -0.000 -9.609) 9.847 5.166 ( 4.278 0.000 -2.133) 4.780 5.453 ( -0.394 -0.000 -0.064) 0.399 5.602 ( 0.425 0.000 -0.063) 0.429 5.630 ( -6.779 -0.000 -2.166) 7.117 5.800 ( 0.811 0.000 0.355) 0.885 5.965 ( 3.774 0.000 6.013) 7.099 6.381 ( -1.282 -0.000 -8.396) 8.493 6.490 ( 3.524 0.000 3.100) 4.693 6.803 ( -4.775 -0.000 -7.001) 8.475 6.900 ( -19.448 -0.000 31.749) 37.232 6.990 ( -1.427 -0.000 0.009) 1.427 7.065 ( 1.414 0.000 0.025) 1.415 7.300 ( 2.343 0.000 -11.768) 11.999 7.545 ( 15.256 0.000 6.397) 16.543 8.205 ( -15.024 -0.000 13.512) 20.206 8.498 ( 1.591 0.000 5.862) 6.074 11.126 ( 0.058 0.000 -0.132) 0.144 12.143 ( 0.045 0.000 0.103) 0.112 13.601 ( 0.235 0.000 0.115) 0.262 16.399 ( -71.645 -0.000 129.650) 148.129 17.416 ( 39.616 0.000 -66.754) 77.624 18.154 ( -1.146 -0.000 -0.963) 1.497 ======================= Grid point 17 (10/324) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 1.169 -19.240 5.758) 20.117 0.660 ( 11.510 -13.672 29.395) 34.402 1.117 ( 13.389 -41.744 12.242) 45.516 2.273 ( -7.850 -3.822 -16.415) 18.593 2.641 ( -4.298 -18.994 -15.576) 24.937 3.084 ( -1.866 -11.469 -1.182) 11.680 3.150 ( 3.468 -11.324 16.670) 20.448 3.420 ( -0.897 1.848 12.756) 12.920 3.784 ( 1.034 -3.342 5.376) 6.415 4.139 ( -1.086 -5.682 -1.287) 5.926 4.350 ( -12.574 -13.805 -13.159) 22.844 4.533 ( 2.647 0.448 -6.429) 6.967 4.722 ( -3.746 -9.668 -6.993) 12.506 4.984 ( -1.426 2.232 -7.894) 8.326 5.176 ( 3.631 -0.178 0.208) 3.641 5.485 ( -0.171 4.103 3.048) 5.114 5.511 ( -3.855 -3.454 -3.226) 6.099 5.679 ( 1.521 -4.184 -0.044) 4.453 5.779 ( 0.558 2.474 -0.430) 2.572 5.980 ( 2.542 1.478 5.688) 6.403 6.272 ( 0.039 5.531 -1.196) 5.659 6.483 ( 5.468 2.616 2.653) 6.617 6.599 ( -2.470 11.432 11.961) 16.728 6.743 ( -4.627 2.467 -3.118) 6.101 6.895 ( 0.018 6.705 0.573) 6.729 7.137 ( 1.426 -4.650 0.580) 4.898 7.332 ( 1.392 -0.392 -0.969) 1.741 7.510 ( 13.679 5.039 10.235) 17.812 7.934 ( 0.722 10.714 4.333) 11.579 8.387 ( -0.862 7.471 -1.234) 7.621 11.263 ( 0.222 -13.815 0.249) 13.819 13.576 ( -3.756 -2.727 -2.584) 5.313 13.894 ( -52.462 -75.156 -51.676) 105.220 16.202 ( -23.815 19.222 73.781) 79.877 17.045 ( 36.942 20.518 -25.605) 49.409 18.066 ( -1.735 7.751 -1.958) 8.180 ======================= Grid point 18 (11/324) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -3.506 -21.983 5.121) 22.843 1.085 ( 8.159 -19.146 20.895) 29.491 1.976 ( 7.146 -40.231 6.249) 41.335 2.302 ( -8.282 -8.179 -17.619) 21.117 2.959 ( -2.951 -18.308 -12.173) 22.183 3.291 ( -0.124 -6.452 8.276) 10.495 3.473 ( -1.965 -8.762 7.680) 11.816 3.552 ( 2.713 -23.143 12.149) 26.279 3.900 ( 0.858 -7.048 6.940) 9.929 4.236 ( -2.948 -6.329 -5.503) 8.890 4.406 ( -2.663 -2.136 -13.055) 13.494 4.571 ( -1.084 -5.040 0.404) 5.171 4.884 ( -0.579 -5.643 -1.813) 5.956 4.951 ( -2.104 -3.868 -9.381) 10.363 5.226 ( 1.567 -4.511 -1.399) 4.976 5.417 ( -3.525 0.400 -4.229) 5.520 5.581 ( -2.068 -3.435 3.213) 5.138 5.716 ( 1.968 3.477 -0.436) 4.019 5.782 ( 1.946 -4.995 -0.252) 5.366 5.966 ( -0.010 1.669 2.969) 3.405 6.199 ( -2.423 1.695 -2.513) 3.881 6.417 ( 0.538 7.615 2.645) 8.080 6.477 ( 0.595 3.344 5.289) 6.286 6.682 ( -2.774 1.018 -2.749) 4.036 6.752 ( -0.940 8.115 -0.371) 8.177 7.234 ( 1.359 -4.402 0.789) 4.674 7.265 ( 6.189 9.287 5.370) 12.385 7.536 ( 4.968 1.080 3.635) 6.250 7.748 ( 1.299 9.269 1.411) 9.465 8.203 ( -2.297 10.107 -2.361) 10.630 11.604 ( 0.617 -20.412 1.247) 20.460 13.563 ( -0.230 1.186 0.033) 1.209 14.587 ( -23.724 -34.138 -27.980) 50.111 15.945 ( -9.732 15.321 37.422) 41.591 16.803 ( 18.631 15.616 -9.070) 25.947 17.853 ( -2.116 12.706 -2.881) 13.199 ======================= Grid point 19 (12/324) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -5.960 -22.578 4.883) 23.857 1.555 ( 5.877 -22.063 13.521) 26.535 2.401 ( -7.638 -11.750 -16.430) 21.595 2.701 ( 2.184 -31.491 1.453) 31.600 3.211 ( -0.894 -10.949 -3.373) 11.492 3.358 ( -1.224 -1.256 13.981) 14.090 3.768 ( -2.329 -18.716 0.867) 18.880 3.918 ( -1.263 -10.445 0.007) 10.521 4.146 ( 4.473 -13.699 11.017) 18.140 4.353 ( -2.450 -9.271 -11.871) 15.260 4.420 ( -0.824 -6.216 -1.806) 6.525 4.676 ( 0.805 -5.289 0.104) 5.351 4.909 ( 1.703 0.082 2.647) 3.149 5.028 ( 0.480 -3.544 -3.266) 4.843 5.341 ( -1.805 -7.230 -5.238) 9.109 5.423 ( -2.201 -4.092 -6.937) 8.349 5.587 ( -1.646 2.408 -0.193) 2.923 5.710 ( 3.228 -1.198 4.619) 5.762 5.875 ( 0.262 -3.644 0.127) 3.656 5.944 ( -1.751 0.129 -0.761) 1.913 6.143 ( -4.747 2.002 -4.302) 6.712 6.312 ( -0.220 3.017 3.160) 4.374 6.433 ( 1.709 3.422 2.582) 4.615 6.584 ( -1.219 8.562 -0.718) 8.678 6.669 ( -2.025 -1.200 -2.972) 3.791 7.093 ( 7.407 13.035 6.722) 16.431 7.290 ( 1.446 3.387 1.652) 4.036 7.453 ( -1.358 3.467 -1.446) 3.994 7.694 ( 4.365 0.157 2.198) 4.889 8.006 ( -2.688 7.802 -2.072) 8.508 11.988 ( 0.809 -18.199 1.781) 18.304 13.539 ( 0.159 1.321 0.266) 1.357 14.903 ( -5.883 -12.269 -7.459) 15.517 15.754 ( -9.831 6.944 14.015) 18.474 16.554 ( 10.352 16.139 -3.227) 19.443 17.578 ( -2.042 13.975 -3.116) 14.463 ======================= Grid point 20 (13/324) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -7.224 -21.570 4.493) 23.187 2.032 ( 4.299 -22.927 7.093) 24.381 2.570 ( -5.851 -13.330 -13.106) 19.588 3.154 ( -2.705 -16.884 -6.595) 18.327 3.284 ( -1.128 1.671 9.250) 9.468 3.521 ( -1.033 -12.217 7.698) 14.477 4.028 ( -4.538 -5.812 -6.182) 9.623 4.095 ( -0.708 -14.922 1.623) 15.027 4.387 ( 3.188 -8.907 4.778) 10.599 4.433 ( 0.936 -4.947 -5.890) 7.749 4.627 ( 4.014 -7.210 0.248) 8.256 4.791 ( 0.995 -5.772 4.461) 7.362 4.922 ( 2.899 1.388 6.956) 7.663 5.090 ( -1.172 -4.861 -1.796) 5.313 5.407 ( -1.932 -3.143 -6.338) 7.334 5.500 ( 4.617 -1.712 -2.448) 5.499 5.539 ( -1.685 -0.374 -1.998) 2.640 5.768 ( -0.470 -3.583 1.675) 3.983 5.888 ( -2.831 1.022 -1.517) 3.371 5.957 ( -1.689 -1.999 0.151) 2.621 6.091 ( -0.812 0.275 -3.341) 3.449 6.293 ( -2.283 1.522 1.016) 2.926 6.379 ( 0.754 2.749 0.355) 2.872 6.438 ( -1.404 4.746 -0.515) 4.976 6.664 ( -0.298 1.948 -1.375) 2.403 6.910 ( 5.983 9.834 3.467) 12.022 7.111 ( -0.861 11.146 -0.155) 11.181 7.501 ( 0.353 -5.442 -1.066) 5.556 7.718 ( 2.470 -0.529 2.632) 3.648 7.904 ( -1.563 1.655 -1.443) 2.695 12.268 ( 0.359 -10.208 1.009) 10.264 13.519 ( 0.323 1.014 0.368) 1.126 14.983 ( 1.863 1.281 6.947) 7.305 15.675 ( -9.585 -0.970 -1.557) 9.759 16.282 ( 5.582 15.488 -1.354) 16.519 17.310 ( -1.499 12.464 -2.354) 12.773 ======================= Grid point 21 (14/324) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -7.090 -18.901 3.189) 20.437 2.484 ( 3.032 -21.542 1.669) 21.818 2.764 ( -3.734 -12.140 -8.071) 15.048 3.212 ( -1.377 4.402 4.488) 6.435 3.377 ( -3.232 -9.226 -4.337) 10.694 3.737 ( -2.667 -8.458 2.697) 9.270 4.089 ( -3.165 -5.308 -5.947) 8.577 4.331 ( 1.071 -7.500 7.662) 10.775 4.494 ( 2.236 -1.553 0.472) 2.763 4.538 ( -1.244 -5.357 -1.566) 5.718 4.717 ( 7.468 0.495 2.038) 7.757 4.863 ( 0.992 0.642 4.811) 4.954 4.932 ( 3.263 -1.425 2.810) 4.535 5.168 ( -4.393 -4.086 -1.201) 6.119 5.435 ( -1.877 -1.309 -1.281) 2.623 5.518 ( 7.403 -0.839 1.746) 7.652 5.561 ( 0.726 -1.168 -2.586) 2.929 5.840 ( -3.417 -3.782 -6.203) 8.029 5.849 ( -2.478 0.354 -0.550) 2.563 6.000 ( 1.583 -2.596 2.412) 3.881 6.081 ( -0.155 0.619 -2.650) 2.726 6.200 ( -2.801 5.097 -0.510) 5.838 6.331 ( -1.653 2.694 -0.319) 3.177 6.424 ( -1.864 -2.794 -2.184) 4.006 6.558 ( 4.050 9.371 5.160) 11.439 6.821 ( 0.573 3.356 -0.484) 3.439 6.944 ( 0.407 4.456 -2.791) 5.274 7.608 ( -0.351 -5.927 -0.442) 5.954 7.773 ( 0.640 -3.632 2.070) 4.229 7.892 ( 0.343 -0.403 -0.876) 1.024 12.381 ( -0.408 -2.280 -0.336) 2.340 13.506 ( 0.331 0.632 0.363) 0.801 14.965 ( 2.616 3.194 9.678) 10.522 15.666 ( -6.193 -2.343 -5.398) 8.543 16.031 ( 2.540 12.318 -0.841) 12.605 17.090 ( -0.743 9.609 -1.105) 9.700 ======================= Grid point 22 (15/324) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -4.833 -13.731 1.105) 14.599 2.854 ( 2.062 -15.164 -1.390) 15.367 2.930 ( -1.749 -7.579 -1.693) 7.960 3.121 ( -0.688 4.914 1.602) 5.214 3.508 ( -2.619 -7.451 -4.361) 9.022 3.831 ( -3.549 -4.016 -1.145) 5.480 4.162 ( 0.194 -2.165 -1.171) 2.469 4.361 ( 2.142 3.810 8.351) 9.426 4.534 ( -0.711 5.209 0.107) 5.259 4.589 ( -0.361 -5.571 1.922) 5.904 4.725 ( 4.839 -0.035 -1.171) 4.979 4.818 ( 2.308 3.505 1.083) 4.334 5.020 ( 0.845 -3.643 0.323) 3.753 5.202 ( -2.703 -2.022 1.234) 3.594 5.459 ( 0.969 -1.861 1.782) 2.753 5.528 ( -0.372 1.436 -0.024) 1.483 5.627 ( 3.328 -3.278 -0.870) 4.751 5.791 ( 0.042 2.634 -5.243) 5.868 5.901 ( -3.703 -4.047 -0.568) 5.515 6.048 ( -1.154 0.918 -0.860) 1.707 6.056 ( 1.949 -0.823 -0.011) 2.116 6.113 ( -0.526 2.968 -0.325) 3.031 6.276 ( -2.458 1.717 -1.056) 3.179 6.411 ( 0.404 4.723 -0.019) 4.740 6.492 ( 1.263 -1.963 2.273) 3.258 6.735 ( 1.207 5.416 2.620) 6.137 6.940 ( -0.227 -2.733 -4.045) 4.887 7.710 ( -1.171 -5.053 -0.157) 5.189 7.829 ( -0.433 -0.992 0.243) 1.109 7.916 ( 1.592 -1.680 0.285) 2.331 12.384 ( -0.583 0.589 -0.746) 1.114 13.499 ( 0.197 0.364 0.217) 0.468 14.946 ( 1.460 2.313 5.830) 6.439 15.674 ( -2.589 -2.056 -3.436) 4.768 15.854 ( 0.635 6.719 -0.489) 6.767 16.942 ( -0.162 5.549 -0.225) 5.556 ======================= Grid point 23 (16/324) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -0.052 -2.626 -0.057) 2.627 2.971 ( -0.287 2.305 0.411) 2.359 3.006 ( 0.278 -0.698 0.594) 0.958 3.100 ( -0.617 -2.108 -1.318) 2.561 3.599 ( -1.162 -3.091 -0.999) 3.450 3.885 ( 0.173 -2.547 0.583) 2.619 4.122 ( 0.243 2.755 0.531) 2.816 4.365 ( -0.949 5.243 -2.408) 5.847 4.431 ( 0.736 -3.618 1.319) 3.920 4.644 ( -0.102 1.118 1.329) 1.739 4.737 ( 2.264 0.068 -0.136) 2.270 4.787 ( 2.016 2.087 0.169) 2.907 5.035 ( -3.030 1.078 -0.123) 3.218 5.259 ( 4.602 -2.624 3.347) 6.266 5.472 ( -1.932 2.702 -1.101) 3.500 5.509 ( 0.258 -0.932 1.133) 1.490 5.639 ( -2.736 2.377 -1.831) 4.060 5.756 ( -0.722 -1.384 -2.957) 3.344 5.946 ( -1.586 -2.179 -1.585) 3.127 6.044 ( -0.553 -0.705 1.466) 1.718 6.061 ( 1.664 0.700 -0.350) 1.839 6.094 ( 1.890 -0.947 0.891) 2.294 6.238 ( -3.547 0.511 -1.412) 3.851 6.356 ( 0.786 1.274 1.251) 1.951 6.560 ( 1.338 -3.220 0.653) 3.548 6.667 ( 2.183 2.793 2.693) 4.452 6.967 ( -0.984 -0.823 -2.335) 2.664 7.770 ( -0.553 -0.811 -0.950) 1.366 7.828 ( -0.396 -0.359 1.462) 1.557 7.933 ( 0.557 1.313 -0.399) 1.481 12.378 ( -0.038 -0.619 -0.074) 0.624 13.494 ( -0.006 0.169 -0.010) 0.170 14.913 ( -0.087 2.407 0.075) 2.410 15.703 ( 0.745 -2.045 -0.374) 2.208 15.791 ( -0.696 -0.061 0.383) 0.797 16.887 ( 0.082 -0.068 -0.005) 0.107 ======================= Grid point 24 (17/324) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 3.178 12.040 -0.882) 12.484 2.840 ( -1.073 15.933 1.401) 16.031 2.976 ( 1.142 0.779 1.446) 2.000 3.115 ( 0.505 -1.035 -1.706) 2.058 3.593 ( 1.213 3.675 4.299) 5.784 3.891 ( 2.036 4.166 0.229) 4.642 4.141 ( -1.754 -4.483 -4.847) 6.831 4.263 ( 0.044 2.851 -1.698) 3.319 4.546 ( 0.309 -5.328 0.513) 5.362 4.596 ( 1.561 3.643 -0.715) 4.028 4.691 ( -0.400 5.762 1.943) 6.094 4.769 ( -1.136 -0.970 -1.735) 2.289 4.974 ( -1.519 4.468 -1.364) 4.912 5.295 ( 1.896 2.406 0.916) 3.197 5.417 ( -2.578 1.383 -0.090) 2.927 5.501 ( -0.041 1.292 1.019) 1.646 5.580 ( -0.074 0.958 -0.011) 0.961 5.801 ( -2.603 -4.001 -0.481) 4.798 5.964 ( 2.881 -0.350 -1.885) 3.460 6.040 ( -0.550 2.909 1.062) 3.145 6.066 ( -2.007 -1.382 2.367) 3.397 6.156 ( 3.025 -3.756 0.641) 4.865 6.248 ( -3.077 -4.467 -1.461) 5.618 6.363 ( -0.336 -1.633 -0.530) 1.749 6.558 ( 2.788 4.565 2.480) 5.896 6.718 ( 0.992 -5.932 0.078) 6.015 6.953 ( -0.935 0.819 -0.002) 1.243 7.725 ( 0.894 4.505 0.481) 4.618 7.858 ( 0.678 0.975 2.077) 2.393 7.863 ( -2.151 2.769 -2.707) 4.430 12.401 ( 0.411 -1.000 0.510) 1.195 13.493 ( -0.161 -0.111 -0.179) 0.265 14.863 ( -1.183 1.529 -4.106) 4.538 15.756 ( 3.156 -2.251 1.316) 4.094 15.844 ( -1.621 -5.717 1.377) 6.100 16.948 ( 0.226 -6.121 0.145) 6.127 ======================= Grid point 25 (18/324) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 3.060 18.774 -1.756) 19.103 2.437 ( -0.751 24.708 -0.610) 24.727 2.931 ( 3.294 7.143 9.709) 12.495 3.150 ( 0.006 -3.594 -8.985) 9.678 3.504 ( 3.115 8.773 6.358) 11.274 3.735 ( 1.019 12.330 -2.451) 12.613 4.180 ( -3.513 -0.929 -8.434) 9.183 4.210 ( 1.931 4.060 3.647) 5.789 4.462 ( 0.233 10.961 -0.781) 10.991 4.597 ( 1.977 1.709 2.708) 3.763 4.649 ( -2.797 -1.736 5.235) 6.184 4.781 ( -0.833 -1.542 -6.827) 7.049 4.841 ( -1.710 7.044 -3.438) 8.022 5.246 ( 2.610 4.428 -0.540) 5.168 5.339 ( -8.115 1.001 -0.030) 8.177 5.537 ( 4.116 -1.127 4.910) 6.505 5.588 ( 1.953 -1.124 0.001) 2.253 5.860 ( -2.586 -2.611 -0.463) 3.704 5.934 ( 0.166 7.641 2.892) 8.172 5.995 ( 4.750 -0.804 -2.403) 5.383 6.087 ( -3.107 -1.745 3.118) 4.735 6.254 ( 2.370 -4.679 -0.141) 5.247 6.330 ( -1.210 -3.891 -0.858) 4.164 6.427 ( -0.356 -4.514 -2.450) 5.148 6.477 ( -1.051 1.670 0.401) 2.013 6.827 ( 0.226 -3.733 0.575) 3.784 6.975 ( 0.588 -4.384 1.838) 4.790 7.630 ( 0.856 5.998 1.587) 6.263 7.732 ( -1.159 6.026 -2.531) 6.638 7.888 ( -0.497 -1.467 0.356) 1.589 12.390 ( 0.216 3.291 0.174) 3.303 13.498 ( -0.179 -0.571 -0.202) 0.632 14.843 ( -1.503 -1.748 -5.159) 5.650 15.811 ( 4.845 -1.009 1.814) 5.271 15.993 ( -2.708 -10.432 1.243) 10.849 17.112 ( 0.486 -10.784 0.644) 10.814 ======================= Grid point 26 (19/324) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 1.669 22.233 -1.963) 22.382 1.939 ( -0.239 26.777 -2.444) 26.889 2.806 ( 3.879 10.234 10.363) 15.073 3.178 ( -0.394 -0.658 -8.258) 8.294 3.251 ( 1.269 22.171 1.724) 22.274 3.483 ( 0.651 11.284 -1.757) 11.439 4.067 ( -1.562 10.009 -2.176) 10.361 4.132 ( 1.305 7.341 2.367) 7.823 4.230 ( -2.003 11.139 -3.802) 11.939 4.566 ( 2.890 3.554 8.372) 9.544 4.636 ( 0.862 7.269 3.709) 8.206 4.707 ( -2.023 4.151 -5.864) 7.464 4.789 ( -2.726 -3.136 -6.077) 7.362 5.132 ( 0.864 6.028 0.952) 6.164 5.376 ( -3.422 -5.899 0.039) 6.819 5.545 ( 1.515 3.131 5.291) 6.332 5.638 ( 3.195 -0.912 -1.421) 3.614 5.749 ( 1.579 9.132 2.693) 9.651 5.883 ( -3.217 0.518 -2.294) 3.985 5.999 ( 1.622 2.047 0.048) 2.612 6.152 ( 1.362 -4.856 2.622) 5.684 6.315 ( 2.009 0.104 -2.101) 2.909 6.347 ( -2.385 0.202 0.349) 2.419 6.455 ( 0.307 -5.613 0.034) 5.622 6.621 ( -2.164 -10.942 -2.351) 11.399 6.855 ( -0.207 -0.155 1.581) 1.602 7.123 ( 0.462 -9.395 -0.222) 9.409 7.530 ( 1.054 4.876 2.082) 5.405 7.641 ( -2.167 2.132 -2.565) 3.977 7.929 ( 0.375 -3.621 0.357) 3.657 12.254 ( -0.183 11.369 -0.468) 11.380 13.513 ( -0.072 -1.124 -0.111) 1.132 14.896 ( -1.023 -5.589 -3.113) 6.478 15.841 ( 5.847 1.031 0.179) 5.940 16.203 ( -3.808 -12.697 1.179) 13.308 17.350 ( 0.661 -13.607 1.015) 13.661 ======================= Grid point 27 (20/324) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -0.186 24.364 -2.230) 24.466 1.429 ( 0.493 26.476 -2.138) 26.566 2.625 ( 0.544 24.777 1.922) 24.857 2.680 ( 1.369 22.423 3.918) 22.804 3.196 ( -0.712 -1.282 -4.742) 4.964 3.299 ( 0.712 9.210 0.505) 9.252 3.761 ( -0.400 20.069 -1.281) 20.114 3.939 ( -0.268 18.407 2.003) 18.517 4.006 ( -0.136 9.010 -4.613) 10.123 4.428 ( 0.544 10.285 0.241) 10.302 4.558 ( 1.688 2.170 11.951) 12.263 4.628 ( -0.636 2.847 -8.308) 8.806 4.842 ( -1.212 -3.831 -0.858) 4.109 5.065 ( 0.343 2.109 1.210) 2.455 5.442 ( 1.291 5.568 4.631) 7.356 5.485 ( 1.837 2.070 1.934) 3.376 5.561 ( -3.824 0.515 -6.978) 7.974 5.716 ( 5.363 1.464 5.416) 7.761 5.821 ( -4.004 3.112 -2.539) 5.671 5.945 ( 0.181 3.188 -1.294) 3.445 6.257 ( 2.337 -0.915 2.026) 3.226 6.306 ( 0.014 -3.989 0.468) 4.017 6.365 ( -1.503 -2.231 -2.288) 3.531 6.590 ( -0.038 -7.831 -0.009) 7.831 6.741 ( 1.077 -1.333 1.053) 2.011 6.940 ( -2.104 -10.879 -1.728) 11.214 7.252 ( -0.535 -1.767 -0.810) 2.016 7.524 ( 2.966 -3.842 2.607) 5.510 7.586 ( -3.629 1.535 -2.637) 4.741 8.053 ( 0.628 -8.935 0.478) 8.970 11.965 ( -0.206 18.407 -0.442) 18.413 13.538 ( 0.038 -1.520 -0.011) 1.520 15.017 ( 0.858 -7.210 1.867) 7.497 15.817 ( 4.783 3.746 -3.845) 7.189 16.428 ( -3.987 -12.439 1.314) 13.129 17.624 ( 0.492 -14.565 0.749) 14.593 ======================= Grid point 28 (21/324) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -0.000 24.121 -0.000) 24.121 0.935 ( -0.000 25.772 -0.000) 25.772 1.858 ( -0.000 45.182 -0.000) 45.182 2.512 ( -0.000 7.182 -0.000) 7.182 3.137 ( -0.000 8.072 -0.000) 8.072 3.170 ( -0.000 9.192 -0.000) 9.192 3.357 ( -0.000 17.302 -0.000) 17.302 3.515 ( -0.000 20.998 -0.000) 20.998 3.855 ( -0.000 6.768 -0.000) 6.768 4.281 ( -0.000 6.951 -0.000) 6.951 4.555 ( -0.000 2.155 -0.000) 2.155 4.566 ( -0.000 0.090 -0.000) 0.090 4.896 ( 0.000 -1.374 0.000) 1.374 5.045 ( -0.000 0.619 -0.000) 0.619 5.263 ( -0.000 12.415 -0.000) 12.415 5.411 ( -0.000 1.779 -0.000) 1.779 5.633 ( 0.000 -3.906 0.000) 3.906 5.687 ( -0.000 3.964 -0.000) 3.964 5.749 ( -0.000 1.902 -0.000) 1.902 5.907 ( -0.000 0.388 -0.000) 0.388 6.246 ( -0.000 0.879 -0.000) 0.879 6.396 ( 0.000 -1.917 0.000) 1.917 6.437 ( 0.000 -7.083 0.000) 7.083 6.739 ( 0.000 -7.777 0.000) 7.777 6.767 ( 0.000 -1.939 0.000) 1.939 7.154 ( 0.000 -11.027 0.000) 11.027 7.208 ( -0.000 4.245 -0.000) 4.245 7.479 ( -0.000 5.816 -0.000) 5.816 7.718 ( 0.000 -10.769 0.000) 10.769 8.244 ( 0.000 -10.153 0.000) 10.153 11.591 ( -0.000 20.030 -0.000) 20.030 13.567 ( 0.000 -1.483 0.000) 1.483 15.172 ( 0.000 -7.283 0.000) 7.283 15.719 ( -0.000 6.445 -0.000) 6.445 16.633 ( 0.000 -9.898 0.000) 9.898 17.890 ( 0.000 -12.799 0.000) 12.799 ======================= Grid point 31 (22/324) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 15.388 0.000 9.785) 18.235 0.530 ( 21.297 0.000 11.633) 24.267 0.862 ( 18.620 0.000 45.631) 49.284 2.153 ( -9.191 -0.000 -19.296) 21.374 2.375 ( -4.061 -0.000 -16.359) 16.855 2.934 ( -5.321 -0.000 -0.340) 5.332 3.101 ( 5.319 0.000 15.465) 16.354 3.479 ( -2.531 -0.000 15.225) 15.434 3.779 ( 1.688 0.000 7.175) 7.371 4.023 ( -0.195 -0.000 -3.130) 3.136 4.081 ( 0.000 0.000 0.007) 0.007 4.525 ( 1.004 0.000 -14.302) 14.337 4.609 ( -1.615 -0.000 -5.830) 6.050 4.981 ( -2.306 -0.000 -9.788) 10.056 5.195 ( 3.532 0.000 -0.505) 3.568 5.447 ( -0.661 -0.000 -0.114) 0.671 5.563 ( -3.736 -0.000 -3.406) 5.056 5.607 ( 0.721 0.000 -0.111) 0.730 5.801 ( -0.712 -0.000 -1.072) 1.286 6.015 ( 1.226 0.000 1.808) 2.185 6.327 ( -1.682 -0.000 -6.711) 6.919 6.535 ( 2.652 0.000 3.445) 4.347 6.717 ( -5.455 -0.000 -5.868) 8.012 6.883 ( -13.348 -0.000 19.244) 23.420 6.975 ( -1.828 -0.000 0.021) 1.829 7.081 ( 1.807 0.000 0.042) 1.808 7.297 ( 5.668 0.000 -4.544) 7.265 7.722 ( 13.232 0.000 9.945) 16.552 8.128 ( -9.362 -0.000 0.357) 9.369 8.549 ( 1.952 0.000 6.377) 6.669 11.126 ( 0.103 0.000 -0.239) 0.260 12.144 ( 0.082 0.000 0.185) 0.203 13.606 ( 0.619 0.000 0.338) 0.705 16.457 ( -34.160 -0.000 71.486) 79.228 17.422 ( 22.592 0.000 -36.638) 43.043 18.130 ( -2.311 -0.000 -2.040) 3.083 ======================= Grid point 32 (23/324) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 6.878 -11.226 9.217) 16.071 0.923 ( 12.754 -13.011 25.116) 31.028 1.338 ( 14.726 -30.959 20.331) 39.858 2.091 ( -9.544 -4.162 -19.803) 22.373 2.520 ( -3.558 -19.382 -15.496) 25.069 3.043 ( -5.106 -13.292 -0.908) 14.268 3.282 ( 4.962 -11.425 16.866) 20.967 3.481 ( -2.417 2.022 14.958) 15.287 3.832 ( 1.297 -2.894 7.967) 8.575 4.105 ( -2.867 -4.629 -6.048) 8.138 4.216 ( -4.843 -12.060 -6.492) 14.527 4.505 ( -0.448 -2.122 -9.752) 9.990 4.649 ( -2.080 -7.938 -8.811) 12.040 4.930 ( -0.979 1.194 -7.378) 7.538 5.211 ( 3.999 -0.259 0.137) 4.010 5.443 ( -2.922 3.648 -3.289) 5.715 5.511 ( -0.388 -2.957 2.345) 3.794 5.689 ( 1.096 -5.261 -0.248) 5.380 5.767 ( -1.548 2.165 -2.697) 3.789 6.001 ( -0.997 1.468 -1.043) 2.058 6.250 ( -1.505 4.356 -3.669) 5.891 6.539 ( 3.135 1.744 3.379) 4.929 6.617 ( -4.098 9.103 5.460) 11.379 6.714 ( -2.983 6.576 6.721) 9.865 6.891 ( -0.806 6.580 -0.348) 6.639 7.152 ( 1.274 -4.708 0.304) 4.887 7.354 ( 3.892 -1.770 0.012) 4.276 7.700 ( 13.344 8.660 11.588) 19.681 7.941 ( -2.141 10.411 0.842) 10.662 8.384 ( 0.907 11.021 0.510) 11.070 11.268 ( 0.319 -14.232 0.362) 14.240 13.256 ( -29.349 -72.327 -25.027) 81.969 13.618 ( -0.661 -3.920 -1.418) 4.220 16.335 ( -19.654 15.638 53.553) 59.151 17.197 ( 24.840 18.447 -21.443) 37.644 18.033 ( -2.758 7.909 -3.019) 8.904 ======================= Grid point 33 (24/324) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -2.287 -18.924 7.558) 20.506 1.292 ( 10.140 -14.716 22.759) 28.937 2.058 ( 0.680 -28.117 -2.480) 28.235 2.146 ( -2.471 -16.555 -8.425) 18.739 2.876 ( -1.820 -20.964 -10.445) 23.493 3.311 ( -2.611 -13.294 3.832) 14.079 3.489 ( -3.669 -4.022 9.922) 11.318 3.657 ( 3.315 -18.132 14.027) 23.163 3.955 ( 1.531 -8.415 9.119) 12.503 4.151 ( -4.488 -5.573 -12.622) 14.509 4.333 ( -1.507 -4.492 -6.141) 7.756 4.561 ( -0.262 -5.818 -2.183) 6.219 4.840 ( -2.323 -14.049 -9.398) 17.062 4.904 ( 0.108 -0.337 -4.485) 4.499 5.250 ( 3.907 -1.902 0.678) 4.398 5.359 ( -2.849 1.601 -4.467) 5.534 5.584 ( -1.632 -2.623 3.634) 4.770 5.715 ( -0.451 0.633 -2.867) 2.970 5.797 ( 1.481 -5.008 -0.085) 5.223 5.953 ( -2.680 1.834 -2.924) 4.370 6.158 ( -3.453 3.325 -3.521) 5.947 6.442 ( -1.600 8.715 8.468) 12.256 6.515 ( 2.830 3.365 2.940) 5.289 6.650 ( -2.027 1.297 -0.327) 2.429 6.743 ( -0.331 8.293 -0.631) 8.324 7.247 ( 0.930 -4.179 0.223) 4.287 7.348 ( 6.000 5.777 4.123) 9.294 7.612 ( 4.832 9.155 6.105) 12.018 7.766 ( 2.092 6.358 0.441) 6.707 8.170 ( -1.953 11.026 -2.277) 11.426 11.618 ( 0.766 -20.814 1.575) 20.887 13.563 ( 0.048 0.659 0.278) 0.716 14.253 ( -20.002 -45.585 -20.413) 53.803 16.046 ( -8.968 18.922 32.175) 38.389 16.919 ( 16.646 17.465 -8.414) 25.552 17.811 ( -2.875 12.548 -3.869) 13.442 ======================= Grid point 34 (25/324) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -6.523 -21.252 6.779) 23.241 1.695 ( 7.475 -18.259 14.631) 24.563 2.245 ( -7.363 -13.375 -15.280) 21.601 2.721 ( 1.258 -26.931 -0.494) 26.965 3.191 ( -0.346 -14.064 -1.488) 14.147 3.417 ( -2.141 -0.821 13.713) 13.903 3.744 ( -2.822 -18.855 -0.746) 19.080 3.901 ( -3.099 -6.588 0.903) 7.337 4.193 ( -2.576 -9.245 -5.152) 10.893 4.323 ( 6.083 -14.201 2.695) 15.682 4.418 ( 0.352 -10.067 2.122) 10.294 4.682 ( 1.519 -6.610 -1.424) 6.930 4.918 ( -0.598 -2.057 -0.946) 2.342 5.029 ( 2.131 -6.165 -1.612) 6.719 5.299 ( -1.120 -3.000 -4.929) 5.878 5.374 ( -0.567 -5.658 -4.672) 7.360 5.585 ( -0.019 1.598 1.205) 2.001 5.741 ( 0.231 -2.077 0.352) 2.119 5.869 ( -1.840 -1.781 0.127) 2.564 5.912 ( -2.300 -0.414 -3.313) 4.054 6.079 ( -4.096 1.165 -4.073) 5.893 6.338 ( 0.503 4.251 5.752) 7.170 6.458 ( 1.214 4.152 1.892) 4.721 6.556 ( -3.023 7.794 -1.716) 8.534 6.651 ( 0.448 0.491 -1.535) 1.673 7.189 ( 5.583 11.662 5.352) 13.994 7.310 ( 1.210 5.912 0.846) 6.094 7.449 ( 1.263 3.683 1.282) 4.099 7.741 ( 3.867 0.351 1.339) 4.107 7.966 ( -3.311 7.533 -2.494) 8.598 12.006 ( 0.884 -18.013 1.977) 18.143 13.544 ( 0.437 1.317 0.473) 1.466 14.799 ( -7.472 -23.496 -7.563) 25.789 15.754 ( -7.112 13.745 14.408) 21.145 16.630 ( 9.588 17.989 -2.616) 20.552 17.539 ( -2.401 13.401 -3.668) 14.100 ======================= Grid point 35 (26/324) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -8.079 -21.043 5.429) 23.185 2.117 ( 5.257 -19.982 7.195) 21.879 2.454 ( -4.928 -15.171 -10.785) 19.255 3.090 ( -2.813 -14.489 -7.499) 16.555 3.319 ( -1.351 0.664 8.116) 8.255 3.554 ( -1.183 -10.656 8.074) 13.421 3.946 ( -5.439 -5.758 -6.781) 10.427 4.100 ( 0.061 -15.682 1.463) 15.750 4.355 ( -3.083 -11.024 -5.141) 12.548 4.478 ( 4.153 -4.040 2.298) 6.233 4.698 ( 9.311 -7.664 2.895) 12.402 4.822 ( 0.326 -6.270 4.960) 8.001 4.965 ( -0.458 -2.153 3.074) 3.781 5.091 ( 2.625 -0.963 1.988) 3.431 5.351 ( -2.130 -4.796 -6.436) 8.304 5.484 ( -1.079 -6.177 -4.164) 7.527 5.567 ( 3.765 1.295 1.428) 4.230 5.753 ( -2.604 -0.873 -2.173) 3.502 5.846 ( -3.885 0.736 -1.355) 4.179 5.951 ( 0.007 -3.894 -0.119) 3.896 6.071 ( -0.143 -1.059 -2.324) 2.558 6.280 ( -1.945 4.360 1.702) 5.069 6.384 ( 0.201 3.896 0.126) 3.903 6.419 ( -1.836 3.752 -0.853) 4.263 6.644 ( -1.210 -0.095 -3.040) 3.273 6.990 ( 6.145 12.816 4.511) 14.912 7.102 ( -0.782 11.230 -0.203) 11.259 7.508 ( 1.925 -4.604 0.064) 4.991 7.751 ( 1.779 0.195 2.316) 2.927 7.876 ( -2.266 0.190 -2.224) 3.181 12.277 ( 0.331 -9.436 0.985) 9.493 13.524 ( 0.419 1.041 0.437) 1.204 15.037 ( 1.481 -3.652 6.903) 7.948 15.582 ( -8.439 1.730 -1.889) 8.820 16.325 ( 4.912 16.992 -0.878) 17.709 17.282 ( -1.530 11.658 -2.448) 12.010 ======================= Grid point 36 (27/324) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -7.262 -19.078 3.150) 20.655 2.524 ( 3.452 -19.438 1.766) 19.821 2.695 ( -2.857 -14.103 -6.186) 15.663 3.215 ( -0.909 0.941 0.639) 1.456 3.333 ( -3.314 -5.778 -0.847) 6.714 3.717 ( -3.707 -5.929 0.441) 7.007 4.039 ( -1.964 -7.740 -3.685) 8.795 4.375 ( 1.228 -11.485 5.718) 12.888 4.506 ( 0.134 -2.641 -0.797) 2.762 4.530 ( 0.609 -2.745 0.269) 2.824 4.808 ( 7.343 2.823 4.475) 9.050 4.897 ( 1.598 -0.527 3.526) 3.907 4.958 ( 1.465 0.593 -2.021) 2.566 5.140 ( -1.228 -3.132 2.108) 3.970 5.424 ( -0.559 -3.665 1.017) 3.844 5.537 ( -0.998 -0.852 -0.871) 1.575 5.589 ( 3.776 -1.621 -0.971) 4.222 5.774 ( -3.589 -3.354 -6.202) 7.912 5.834 ( 0.424 -0.479 -0.312) 0.712 6.024 ( 0.912 -2.899 0.241) 3.049 6.067 ( 0.025 1.009 -0.447) 1.104 6.175 ( -2.035 4.277 -0.297) 4.746 6.310 ( -2.309 3.435 -0.551) 4.176 6.388 ( -2.250 -0.612 -3.536) 4.236 6.614 ( 1.817 4.138 4.687) 6.511 6.829 ( 1.670 5.597 -0.045) 5.841 6.936 ( 1.054 5.480 -2.373) 6.065 7.604 ( 0.016 -5.135 -0.416) 5.152 7.789 ( 0.215 -2.708 2.587) 3.751 7.887 ( 0.079 -1.795 -1.621) 2.420 12.376 ( -0.396 -1.715 -0.329) 1.791 13.511 ( 0.317 0.708 0.345) 0.849 15.044 ( 2.735 4.399 10.277) 11.508 15.578 ( -5.678 -4.515 -6.655) 9.845 16.049 ( 1.998 13.284 -0.482) 13.442 17.078 ( -0.651 8.925 -1.038) 9.009 ======================= Grid point 37 (28/324) ======================= q-point: ( 0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -4.159 -14.935 0.905) 15.529 2.866 ( 1.936 -14.269 -1.014) 14.436 2.906 ( -1.518 -10.059 -1.365) 10.264 3.124 ( -0.318 6.743 1.402) 6.894 3.461 ( -2.756 -8.448 -3.585) 9.582 3.793 ( -3.179 -5.251 -1.313) 6.277 4.159 ( 0.288 -4.200 -0.807) 4.287 4.416 ( 1.629 5.961 5.482) 8.261 4.530 ( -0.584 6.485 0.932) 6.577 4.604 ( 0.625 -6.721 3.285) 7.507 4.752 ( 2.700 1.714 -3.254) 4.563 4.853 ( 3.895 3.234 1.778) 5.366 5.015 ( -1.284 -2.066 -0.672) 2.524 5.218 ( 2.344 -4.238 4.515) 6.621 5.476 ( 0.392 -1.438 1.865) 2.387 5.523 ( -0.559 1.504 0.523) 1.688 5.627 ( -1.312 -1.450 -2.491) 3.167 5.752 ( -1.099 1.726 -7.857) 8.120 5.876 ( -1.479 -2.981 0.475) 3.362 6.036 ( -1.000 -0.222 0.420) 1.108 6.078 ( 2.325 -0.189 0.175) 2.339 6.115 ( 1.211 1.830 0.076) 2.196 6.244 ( -3.251 1.897 -0.468) 3.793 6.371 ( -3.308 -0.025 -4.931) 5.938 6.561 ( 4.877 3.094 8.079) 9.931 6.761 ( 1.199 3.998 2.311) 4.771 6.908 ( -0.774 -2.607 -5.758) 6.368 7.695 ( -1.313 -4.790 -0.863) 5.041 7.833 ( -0.109 -0.734 1.829) 1.973 7.927 ( 1.096 -1.968 -0.666) 2.349 12.375 ( -0.492 0.413 -0.637) 0.904 13.501 ( 0.155 0.497 0.171) 0.548 14.988 ( 1.174 4.528 5.065) 6.894 15.635 ( -1.909 -4.560 -3.307) 5.948 15.856 ( 0.316 7.261 -0.179) 7.270 16.939 ( -0.085 5.241 -0.197) 5.246 ======================= Grid point 38 (29/324) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( -0.066 -4.726 -0.072) 4.727 2.971 ( -0.247 4.378 0.477) 4.410 3.014 ( 0.320 -1.202 1.201) 1.729 3.083 ( -0.849 -4.016 -2.059) 4.592 3.580 ( -1.334 -5.188 -1.138) 5.477 3.890 ( 0.118 -4.895 0.616) 4.935 4.129 ( 0.344 5.000 0.739) 5.066 4.342 ( -0.927 6.250 -2.411) 6.763 4.445 ( 0.647 -3.635 1.015) 3.830 4.652 ( 0.041 2.278 1.490) 2.722 4.752 ( 0.909 -0.884 -0.252) 1.293 4.824 ( 5.601 4.757 0.374) 7.358 5.004 ( -3.955 0.619 0.662) 4.058 5.324 ( 4.214 -2.085 3.331) 5.762 5.450 ( -0.978 2.983 -0.500) 3.178 5.517 ( 0.006 -0.032 1.884) 1.885 5.606 ( -1.904 1.633 -1.687) 3.023 5.714 ( -3.434 -1.795 -5.737) 6.923 5.920 ( -1.756 -3.010 -1.524) 3.804 6.049 ( -0.200 -0.731 1.462) 1.646 6.074 ( 1.175 1.088 0.166) 1.610 6.125 ( 3.623 -1.282 0.417) 3.865 6.204 ( -3.013 0.573 0.550) 3.116 6.347 ( -1.903 -0.072 -1.834) 2.644 6.599 ( 3.541 -2.294 4.072) 5.864 6.700 ( 1.848 3.531 1.999) 4.459 6.938 ( -1.614 -1.693 -3.555) 4.255 7.760 ( -0.432 -2.331 -0.659) 2.461 7.830 ( -0.790 0.753 1.140) 1.578 7.937 ( 0.740 1.800 -0.331) 1.974 12.377 ( -0.048 -1.113 -0.092) 1.118 13.494 ( -0.008 0.304 -0.012) 0.305 14.913 ( -0.108 4.325 0.093) 4.327 15.709 ( 1.064 -3.921 -0.538) 4.098 15.785 ( -1.003 0.140 0.549) 1.152 16.888 ( 0.102 -0.124 -0.006) 0.161 ======================= Grid point 39 (30/324) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 1.614 11.780 -0.494) 11.901 2.839 ( -0.472 15.851 0.834) 15.880 2.990 ( 0.591 -2.018 0.898) 2.286 3.110 ( 0.199 0.582 -1.149) 1.303 3.620 ( 0.510 1.058 2.655) 2.904 3.907 ( 1.133 4.848 0.518) 5.006 4.095 ( -1.451 -2.085 -4.902) 5.521 4.266 ( 0.464 1.031 0.651) 1.305 4.552 ( 0.223 -5.231 0.457) 5.255 4.607 ( 1.125 1.816 -0.138) 2.141 4.697 ( -0.118 8.811 0.652) 8.836 4.759 ( 0.390 0.410 -0.658) 0.868 4.958 ( -0.762 4.499 -0.634) 4.607 5.280 ( -3.363 3.347 -0.976) 4.844 5.404 ( -0.327 4.396 -0.155) 4.411 5.542 ( 4.112 -1.391 4.735) 6.423 5.583 ( 1.259 0.064 -0.797) 1.491 5.756 ( -4.859 -5.433 -2.837) 7.822 5.973 ( 1.525 -3.211 -2.017) 4.087 6.041 ( -0.277 3.220 0.795) 3.328 6.058 ( -1.996 -0.033 1.834) 2.711 6.183 ( 2.447 -3.600 -0.873) 4.439 6.230 ( -0.980 -4.067 1.688) 4.511 6.351 ( -1.130 -1.645 -1.221) 2.340 6.593 ( 2.098 5.908 1.888) 6.547 6.729 ( 0.865 -5.481 0.373) 5.561 6.941 ( -0.867 -0.639 -0.666) 1.266 7.741 ( 1.283 4.394 1.551) 4.833 7.826 ( -2.282 1.245 -2.717) 3.760 7.873 ( 0.591 2.790 1.146) 3.073 12.406 ( 0.217 -1.147 0.266) 1.197 13.491 ( -0.089 -0.036 -0.100) 0.139 14.838 ( -0.660 2.650 -2.199) 3.506 15.787 ( 2.797 -3.441 0.002) 4.435 15.835 ( -1.949 -5.472 1.435) 5.983 16.950 ( 0.143 -6.284 0.074) 6.286 ======================= Grid point 40 (31/324) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 0.945 18.908 -0.615) 18.942 2.431 ( -0.142 25.217 -0.180) 25.219 3.006 ( 1.948 6.121 8.061) 10.307 3.098 ( -0.789 -3.324 -7.873) 8.583 3.552 ( 1.370 7.926 2.780) 8.510 3.733 ( 0.431 13.476 -0.696) 13.500 4.115 ( -1.829 -0.857 -4.093) 4.564 4.239 ( 0.731 3.504 1.610) 3.925 4.463 ( 0.362 12.371 -0.302) 12.380 4.624 ( 1.036 -0.336 1.515) 1.866 4.657 ( -1.096 -3.857 3.240) 5.155 4.745 ( -0.261 0.741 -3.665) 3.748 4.816 ( -0.663 8.540 -1.704) 8.734 5.259 ( 1.485 -0.122 -1.331) 1.998 5.286 ( -3.751 4.708 1.060) 6.112 5.575 ( 0.313 -0.102 1.560) 1.594 5.621 ( 3.422 -2.232 0.946) 4.193 5.828 ( -2.439 -3.418 -0.970) 4.309 5.943 ( -0.099 7.402 0.841) 7.450 6.026 ( 3.429 0.176 -1.380) 3.700 6.071 ( -2.860 -3.989 1.925) 5.272 6.270 ( 1.216 -3.869 -0.479) 4.084 6.317 ( -0.885 -4.443 -0.014) 4.531 6.417 ( 0.014 -6.811 -0.758) 6.853 6.472 ( -0.336 6.080 0.083) 6.090 6.831 ( 0.107 -3.915 0.239) 3.924 6.986 ( 0.286 -4.868 0.655) 4.920 7.646 ( 0.602 6.034 1.327) 6.207 7.710 ( -0.734 6.377 -1.697) 6.639 7.886 ( -0.195 -1.629 0.155) 1.648 12.392 ( 0.073 3.539 0.059) 3.541 13.496 ( -0.061 -0.572 -0.070) 0.580 14.814 ( -0.534 -1.424 -1.794) 2.352 15.851 ( 2.109 -1.807 0.435) 2.812 15.978 ( -1.350 -9.964 0.613) 10.074 17.118 ( 0.175 -11.066 0.226) 11.070 ======================= Grid point 41 (32/324) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -0.000 22.639 -0.000) 22.639 1.932 ( -0.000 26.948 -0.000) 26.948 2.857 ( -0.000 10.058 -0.000) 10.058 3.149 ( 0.000 -2.637 0.000) 2.637 3.262 ( -0.000 25.694 -0.000) 25.694 3.482 ( -0.000 10.522 -0.000) 10.522 4.050 ( -0.000 8.577 -0.000) 8.577 4.144 ( -0.000 6.774 -0.000) 6.774 4.213 ( -0.000 13.049 -0.000) 13.049 4.617 ( -0.000 3.162 -0.000) 3.162 4.659 ( -0.000 6.804 -0.000) 6.804 4.665 ( -0.000 5.734 -0.000) 5.734 4.754 ( 0.000 -4.681 0.000) 4.681 5.139 ( -0.000 5.959 -0.000) 5.959 5.360 ( 0.000 -6.611 0.000) 6.611 5.570 ( -0.000 1.337 -0.000) 1.337 5.639 ( -0.000 3.835 -0.000) 3.835 5.788 ( -0.000 6.094 -0.000) 6.094 5.842 ( -0.000 0.939 -0.000) 0.939 6.007 ( -0.000 2.304 -0.000) 2.304 6.167 ( 0.000 -5.794 0.000) 5.794 6.321 ( 0.000 -2.010 0.000) 2.010 6.333 ( -0.000 2.973 -0.000) 2.973 6.456 ( 0.000 -5.597 0.000) 5.597 6.603 ( 0.000 -11.447 0.000) 11.447 6.860 ( -0.000 0.340 -0.000) 0.340 7.125 ( 0.000 -8.889 0.000) 8.889 7.544 ( -0.000 4.499 -0.000) 4.499 7.621 ( -0.000 2.578 -0.000) 2.578 7.932 ( 0.000 -3.909 0.000) 3.909 12.252 ( -0.000 11.537 -0.000) 11.537 13.512 ( 0.000 -1.157 0.000) 1.157 14.882 ( 0.000 -6.016 0.000) 6.016 15.869 ( -0.000 0.702 -0.000) 0.702 16.188 ( 0.000 -12.188 0.000) 12.188 17.356 ( 0.000 -13.771 0.000) 13.771 ======================= Grid point 46 (33/324) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 13.721 0.000 11.524) 17.918 0.781 ( 19.738 0.000 11.518) 22.853 1.257 ( 16.256 0.000 40.031) 43.206 1.957 ( -9.350 -0.000 -19.071) 21.240 2.249 ( -3.699 -0.000 -16.864) 17.265 2.874 ( -7.158 -0.000 -0.449) 7.172 3.235 ( 5.431 0.000 15.706) 16.618 3.537 ( -3.167 -0.000 15.688) 16.004 3.837 ( 1.203 0.000 8.784) 8.866 3.999 ( -0.486 -0.000 -4.627) 4.653 4.081 ( -0.001 -0.000 0.005) 0.005 4.401 ( -5.783 -0.000 -20.689) 21.482 4.587 ( 2.034 0.000 -5.581) 5.940 4.918 ( -1.474 -0.000 -7.246) 7.394 5.229 ( 4.499 0.000 -0.163) 4.501 5.440 ( -0.753 -0.000 -0.139) 0.766 5.532 ( -0.314 -0.000 -1.041) 1.087 5.613 ( 0.836 0.000 -0.135) 0.847 5.770 ( -3.056 -0.000 -3.738) 4.828 5.999 ( -2.744 -0.000 -4.512) 5.281 6.273 ( -3.078 -0.000 -6.180) 6.904 6.576 ( 1.916 0.000 3.776) 4.234 6.653 ( -3.982 -0.000 -1.125) 4.138 6.874 ( -8.017 -0.000 14.131) 16.247 6.958 ( -1.747 -0.000 0.030) 1.747 7.097 ( 1.721 0.000 0.050) 1.722 7.340 ( 6.291 0.000 -0.865) 6.351 7.875 ( 7.024 0.000 8.511) 11.035 8.056 ( -3.061 -0.000 -2.246) 3.796 8.597 ( 1.684 0.000 5.230) 5.494 11.125 ( 0.126 0.000 -0.299) 0.325 12.146 ( 0.103 0.000 0.231) 0.253 13.616 ( 1.137 0.000 0.665) 1.317 16.536 ( -21.631 -0.000 52.312) 56.608 17.437 ( 17.913 0.000 -26.555) 32.032 18.089 ( -3.485 -0.000 -3.216) 4.742 ======================= Grid point 47 (34/324) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 9.691 -4.179 11.696) 15.754 1.155 ( 12.509 -15.435 18.027) 26.827 1.570 ( 9.846 -19.422 16.913) 27.572 1.915 ( -6.283 -4.938 -12.382) 14.737 2.414 ( -2.532 -20.750 -13.278) 24.764 2.986 ( -6.331 -14.366 -0.596) 15.711 3.416 ( 4.827 -11.255 16.128) 20.250 3.536 ( -2.559 1.906 14.305) 14.657 3.886 ( 0.396 -2.586 8.467) 8.862 4.024 ( -3.651 -2.626 -11.199) 12.068 4.175 ( -1.176 -8.796 -1.214) 8.957 4.410 ( -4.645 -8.683 -15.355) 18.242 4.603 ( 0.894 -4.023 -6.985) 8.110 4.890 ( -0.529 0.224 -5.355) 5.386 5.252 ( 4.946 -0.381 -0.070) 4.961 5.419 ( -0.176 4.175 -0.008) 4.179 5.517 ( -0.260 -3.012 1.497) 3.373 5.696 ( 0.391 -4.824 -0.430) 4.859 5.725 ( -2.561 0.932 -4.398) 5.174 5.956 ( -3.959 1.217 -6.256) 7.503 6.201 ( -4.201 3.490 -5.252) 7.577 6.568 ( -2.960 2.908 5.442) 6.843 6.614 ( 1.636 2.839 1.196) 3.488 6.747 ( -1.077 9.542 10.769) 14.428 6.881 ( -0.741 6.344 -0.618) 6.417 7.164 ( 1.197 -4.642 0.083) 4.794 7.398 ( 4.674 -1.919 1.181) 5.188 7.836 ( 1.128 7.387 5.301) 9.162 7.939 ( 5.462 10.070 2.196) 11.665 8.405 ( 1.786 14.748 1.758) 14.959 11.273 ( 0.352 -14.760 0.407) 14.770 12.956 ( -15.723 -64.637 -13.006) 67.781 13.619 ( 0.877 -0.116 0.287) 0.930 16.433 ( -14.521 14.525 41.058) 45.908 17.288 ( 18.451 14.859 -17.004) 29.161 17.984 ( -3.759 7.910 -4.028) 9.640 ======================= Grid point 48 (35/324) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 0.536 -14.027 10.458) 17.505 1.495 ( 9.024 -12.214 17.390) 23.088 1.926 ( -7.550 -13.100 -14.527) 20.968 2.205 ( 5.398 -27.247 6.263) 28.474 2.817 ( -0.844 -23.208 -6.511) 24.119 3.293 ( -3.591 -18.402 1.297) 18.794 3.516 ( -2.720 -0.048 10.786) 11.124 3.748 ( 0.849 -11.950 11.925) 16.904 4.010 ( -2.087 -7.706 -1.538) 8.130 4.045 ( -0.272 -9.911 -3.723) 10.591 4.307 ( 0.315 -5.738 -2.024) 6.093 4.540 ( -0.849 -8.311 -4.154) 9.330 4.766 ( -0.948 -14.951 -11.647) 18.976 4.885 ( -0.456 -1.285 -2.643) 2.975 5.295 ( 4.006 -2.106 -0.357) 4.540 5.336 ( 1.287 4.377 1.129) 4.700 5.588 ( -1.317 -2.088 2.939) 3.838 5.679 ( -2.469 -1.656 -5.010) 5.825 5.807 ( 0.825 -4.545 -0.254) 4.626 5.895 ( -4.118 1.062 -6.077) 7.417 6.093 ( -5.607 3.684 -4.802) 8.250 6.471 ( -2.452 6.436 8.291) 10.778 6.562 ( 3.964 5.305 3.190) 7.351 6.642 ( -0.935 3.989 1.862) 4.500 6.741 ( 0.542 7.400 -0.538) 7.440 7.254 ( 0.784 -3.829 -0.131) 3.910 7.418 ( 5.127 3.678 2.870) 6.932 7.660 ( -1.050 11.539 3.544) 12.116 7.808 ( 5.980 6.221 1.939) 8.844 8.145 ( -1.064 12.846 -1.563) 12.984 11.634 ( 0.768 -21.257 1.603) 21.331 13.567 ( 0.384 -0.432 0.518) 0.776 14.005 ( -14.397 -49.250 -13.609) 53.085 16.128 ( -7.080 20.646 25.499) 33.565 17.017 ( 13.608 18.088 -6.395) 23.521 17.760 ( -3.389 12.165 -4.459) 13.392 ======================= Grid point 49 (36/324) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -5.096 -18.606 8.375) 21.031 1.827 ( 5.615 -15.981 8.623) 19.007 2.120 ( -4.347 -14.337 -7.892) 16.933 2.713 ( -0.407 -22.668 -3.961) 23.016 3.192 ( 0.369 -16.237 1.921) 16.354 3.467 ( -1.915 -1.140 12.016) 12.221 3.710 ( -2.668 -17.526 -2.336) 17.881 3.873 ( -3.682 -5.020 0.598) 6.254 4.107 ( -4.435 -10.290 -10.432) 15.310 4.403 ( 4.531 -6.790 1.323) 8.269 4.472 ( 4.668 -20.405 11.510) 23.888 4.688 ( 1.733 -7.856 -1.998) 8.290 4.900 ( -0.438 -2.710 -3.267) 4.267 5.030 ( 0.452 -12.197 -3.558) 12.713 5.279 ( 0.939 2.004 -1.209) 2.522 5.367 ( 2.015 -4.139 -0.810) 4.674 5.591 ( -0.193 0.457 0.567) 0.753 5.714 ( -3.581 -2.358 -4.327) 6.091 5.841 ( -3.885 0.250 -0.616) 3.942 5.876 ( -1.652 -2.259 -3.238) 4.280 6.030 ( -2.159 -1.221 -3.045) 3.927 6.379 ( 0.774 5.180 6.906) 8.667 6.477 ( 1.169 5.394 1.399) 5.694 6.521 ( -2.388 7.543 -1.233) 8.008 6.651 ( 0.811 2.667 -1.489) 3.160 7.243 ( 2.134 7.767 2.188) 8.347 7.318 ( 0.150 9.582 -0.125) 9.584 7.496 ( 5.003 3.854 4.971) 8.037 7.777 ( 2.890 0.364 -0.005) 2.913 7.921 ( -3.576 8.283 -2.402) 9.337 12.025 ( 0.792 -17.808 1.789) 17.915 13.551 ( 0.616 1.449 0.574) 1.676 14.694 ( -7.003 -31.231 -6.135) 32.589 15.773 ( -4.536 18.385 12.066) 22.454 16.699 ( 7.806 19.517 -1.605) 21.082 17.496 ( -2.379 12.640 -3.622) 13.362 ======================= Grid point 50 (37/324) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -6.941 -19.922 5.305) 21.753 2.191 ( 3.718 -18.462 3.133) 19.091 2.376 ( -2.164 -15.674 -4.550) 16.464 3.026 ( -2.610 -13.895 -7.077) 15.811 3.347 ( -1.064 0.584 6.548) 6.659 3.581 ( -1.352 -7.732 5.990) 9.874 3.864 ( -4.606 -7.179 -5.503) 10.151 4.114 ( 1.360 -16.553 1.557) 16.681 4.299 ( -3.493 -13.206 -4.382) 14.346 4.515 ( 2.200 -3.497 1.077) 4.269 4.804 ( 11.126 -6.732 -1.812) 13.129 4.856 ( -0.406 -7.049 9.437) 11.786 4.953 ( -2.381 -3.745 -0.368) 4.453 5.153 ( 5.038 1.574 5.687) 7.759 5.304 ( -1.283 -6.998 -5.179) 8.800 5.458 ( -0.642 -5.272 -1.885) 5.636 5.585 ( -1.161 -0.068 -0.088) 1.166 5.702 ( -3.647 -0.818 -5.225) 6.424 5.818 ( -0.510 -0.974 -0.142) 1.109 5.945 ( -0.909 -5.001 -1.290) 5.244 6.065 ( 0.613 -1.916 -0.955) 2.227 6.278 ( -0.818 7.515 2.327) 7.909 6.382 ( -0.960 4.804 -0.164) 4.902 6.402 ( -0.508 3.358 -0.310) 3.411 6.613 ( -1.645 0.028 -3.396) 3.773 7.060 ( 4.413 12.983 3.036) 14.045 7.095 ( -0.742 10.944 0.296) 10.973 7.537 ( 3.577 -2.420 1.200) 4.483 7.774 ( 0.449 0.847 2.202) 2.402 7.839 ( -2.414 -1.720 -3.092) 4.284 12.284 ( 0.248 -8.731 0.775) 8.768 13.530 ( 0.401 1.127 0.398) 1.261 15.081 ( 0.790 -10.832 5.467) 12.159 15.505 ( -6.029 7.123 -1.641) 9.475 16.361 ( 3.671 18.286 -0.412) 18.656 17.257 ( -1.262 10.856 -2.060) 11.121 ======================= Grid point 51 (38/324) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -5.478 -19.194 2.356) 20.099 2.560 ( 2.490 -18.123 0.857) 18.313 2.649 ( -1.351 -14.835 -3.278) 15.253 3.207 ( 0.015 -5.576 -1.678) 5.823 3.305 ( -3.107 0.694 1.355) 3.460 3.680 ( -3.433 -4.480 -1.132) 5.757 4.014 ( -0.729 -9.439 -1.417) 9.573 4.417 ( 2.114 -13.416 4.007) 14.160 4.497 ( -1.275 -6.933 -0.180) 7.052 4.542 ( 1.043 0.348 0.514) 1.214 4.869 ( 0.947 7.982 1.128) 8.116 4.929 ( 1.521 0.017 2.473) 2.904 4.958 ( 3.356 -2.277 -2.417) 4.721 5.167 ( 2.508 -2.094 4.085) 5.231 5.434 ( 0.306 -5.132 2.818) 5.863 5.523 ( -1.045 -1.848 -0.878) 2.298 5.586 ( -2.058 -1.100 -1.583) 2.820 5.711 ( -2.691 -2.513 -6.026) 7.062 5.858 ( 4.044 -0.890 0.597) 4.184 6.008 ( -2.708 -2.342 -1.266) 3.797 6.087 ( 2.645 -0.113 1.241) 2.924 6.159 ( -1.274 3.519 -0.203) 3.748 6.287 ( -2.056 4.230 -0.314) 4.714 6.350 ( -1.825 1.584 -3.265) 4.062 6.639 ( -0.347 -2.806 2.597) 3.839 6.850 ( 2.121 9.640 0.723) 9.897 6.936 ( 1.078 6.255 -1.714) 6.575 7.604 ( 0.245 -3.791 -0.425) 3.823 7.805 ( -0.126 -2.475 3.016) 3.904 7.876 ( -0.025 -3.008 -2.284) 3.776 12.371 ( -0.288 -1.261 -0.241) 1.316 13.515 ( 0.228 0.790 0.248) 0.859 15.122 ( 2.527 6.405 9.206) 11.496 15.494 ( -4.468 -7.274 -6.791) 10.909 16.062 ( 1.281 14.046 -0.217) 14.105 17.068 ( -0.439 8.356 -0.745) 8.401 ======================= Grid point 52 (39/324) ======================= q-point: ( 0.64 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -2.411 -15.894 0.513) 16.084 2.876 ( 1.178 -13.528 -0.623) 13.594 2.889 ( -0.863 -11.395 -0.664) 11.446 3.129 ( 0.009 8.347 0.931) 8.399 3.423 ( -1.896 -9.459 -2.170) 9.888 3.763 ( -1.855 -6.491 -0.825) 6.801 4.158 ( 0.218 -5.087 -0.379) 5.105 4.447 ( 0.756 6.413 1.879) 6.725 4.533 ( -0.188 8.202 1.271) 8.302 4.636 ( 1.315 -6.283 4.972) 8.120 4.737 ( -0.301 0.508 -5.538) 5.570 4.901 ( 3.642 1.698 1.816) 4.410 5.000 ( -1.270 0.337 -0.125) 1.320 5.276 ( 4.089 -5.577 4.268) 8.126 5.484 ( -0.011 0.295 1.009) 1.052 5.524 ( -0.964 0.584 0.946) 1.471 5.592 ( -2.382 -0.822 -1.975) 3.202 5.695 ( -1.932 1.380 -6.616) 7.029 5.872 ( -0.146 -0.574 0.173) 0.617 6.034 ( -0.220 -1.442 0.783) 1.656 6.095 ( 1.113 0.710 0.413) 1.383 6.135 ( 2.656 0.017 -0.167) 2.661 6.215 ( -2.872 2.019 0.601) 3.562 6.318 ( -2.474 -0.487 -3.946) 4.683 6.646 ( 3.790 4.066 7.687) 9.486 6.776 ( 0.141 1.279 0.207) 1.303 6.869 ( -0.820 -1.144 -5.168) 5.356 7.680 ( -0.838 -4.491 -0.712) 4.623 7.843 ( -0.058 -0.466 1.689) 1.753 7.930 ( 0.588 -2.384 -0.817) 2.588 12.368 ( -0.282 0.299 -0.368) 0.552 13.503 ( 0.085 0.592 0.094) 0.605 15.019 ( 0.658 6.335 3.006) 7.043 15.606 ( -1.021 -6.584 -2.074) 6.978 15.858 ( 0.122 7.652 -0.036) 7.653 16.938 ( -0.030 5.014 -0.116) 5.016 ======================= Grid point 53 (40/324) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -0.030 -5.888 -0.032) 5.888 2.972 ( -0.075 5.785 0.203) 5.789 3.023 ( 0.198 -1.083 0.984) 1.476 3.066 ( -0.467 -5.689 -1.354) 5.866 3.566 ( -0.560 -6.161 -0.476) 6.205 3.893 ( 0.026 -6.318 0.244) 6.322 4.135 ( 0.170 6.289 0.365) 6.302 4.326 ( -0.385 6.248 -1.008) 6.340 4.453 ( 0.250 -3.312 0.363) 3.341 4.658 ( 0.054 3.111 0.629) 3.174 4.755 ( 0.178 -1.225 -0.127) 1.245 4.878 ( 4.531 7.188 0.049) 8.497 4.972 ( -3.321 -1.275 0.668) 3.619 5.349 ( -0.093 2.899 0.240) 2.910 5.461 ( 1.736 1.494 0.620) 2.373 5.539 ( 1.609 -2.737 4.055) 5.150 5.590 ( -0.239 -0.349 -0.660) 0.784 5.641 ( -4.339 -0.231 -5.729) 7.191 5.903 ( -0.645 -2.990 -0.515) 3.101 6.053 ( -0.017 -0.590 0.572) 0.822 6.083 ( 0.446 1.309 0.228) 1.402 6.154 ( 2.293 -0.577 -0.906) 2.532 6.190 ( -1.488 -0.551 1.789) 2.392 6.319 ( -1.356 -1.063 -1.520) 2.298 6.649 ( 2.066 -1.729 2.859) 3.928 6.718 ( 0.522 4.498 0.322) 4.540 6.908 ( -0.977 -2.564 -2.005) 3.398 7.756 ( -0.123 -3.723 -0.184) 3.730 7.828 ( -0.421 2.219 0.349) 2.286 7.941 ( 0.332 1.744 -0.095) 1.778 12.377 ( -0.021 -1.386 -0.041) 1.387 13.494 ( -0.003 0.379 -0.005) 0.379 14.912 ( -0.048 5.380 0.041) 5.381 15.715 ( 0.549 -5.269 -0.280) 5.305 15.780 ( -0.522 0.566 0.285) 0.821 16.889 ( 0.045 -0.155 -0.003) 0.162 ======================= Grid point 54 (41/324) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -0.000 11.726 -0.000) 11.726 2.839 ( -0.000 15.782 -0.000) 15.782 2.995 ( 0.000 -3.142 0.000) 3.142 3.108 ( -0.000 1.271 -0.000) 1.271 3.630 ( 0.000 -0.149 0.000) 0.149 3.915 ( -0.000 5.065 -0.000) 5.065 4.074 ( 0.000 -0.660 0.000) 0.660 4.271 ( -0.000 0.063 -0.000) 0.063 4.554 ( 0.000 -5.085 0.000) 5.085 4.612 ( -0.000 0.443 -0.000) 0.443 4.697 ( -0.000 10.084 -0.000) 10.084 4.761 ( -0.000 1.526 -0.000) 1.526 4.953 ( -0.000 4.463 -0.000) 4.463 5.258 ( -0.000 3.377 -0.000) 3.377 5.402 ( -0.000 5.094 -0.000) 5.094 5.575 ( 0.000 -0.117 0.000) 0.117 5.603 ( 0.000 -0.451 0.000) 0.451 5.710 ( 0.000 -7.450 0.000) 7.450 5.974 ( 0.000 -4.491 0.000) 4.491 6.042 ( -0.000 3.255 -0.000) 3.255 6.053 ( -0.000 0.867 -0.000) 0.867 6.190 ( 0.000 -3.698 0.000) 3.698 6.235 ( 0.000 -3.595 0.000) 3.595 6.340 ( 0.000 -2.009 0.000) 2.009 6.609 ( -0.000 6.902 -0.000) 6.902 6.734 ( 0.000 -5.463 0.000) 5.463 6.935 ( 0.000 -1.367 0.000) 1.367 7.756 ( -0.000 4.935 -0.000) 4.935 7.803 ( -0.000 0.683 -0.000) 0.683 7.879 ( -0.000 2.875 -0.000) 2.875 12.407 ( 0.000 -1.201 0.000) 1.201 13.490 ( 0.000 -0.011 0.000) 0.011 14.829 ( -0.000 3.039 -0.000) 3.039 15.803 ( 0.000 -3.719 0.000) 3.719 15.827 ( 0.000 -5.521 0.000) 5.521 16.951 ( 0.000 -6.340 0.000) 6.340 ======================= Grid point 61 (42/324) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 10.571 0.000 12.825) 16.620 1.012 ( 17.352 0.000 11.224) 20.665 1.514 ( 3.348 0.000 6.492) 7.304 1.859 ( 2.423 0.000 10.244) 10.527 2.129 ( -3.133 -0.000 -16.003) 16.307 2.802 ( -7.930 -0.000 -0.454) 7.943 3.366 ( 5.059 0.000 14.759) 15.602 3.592 ( -2.242 -0.000 14.120) 14.297 3.887 ( -0.471 -0.000 7.697) 7.711 3.965 ( -0.905 -0.000 -5.964) 6.032 4.081 ( -0.003 -0.000 0.002) 0.004 4.221 ( -6.984 -0.000 -22.958) 23.997 4.572 ( 1.494 0.000 -6.171) 6.349 4.874 ( -1.056 -0.000 -4.857) 4.970 5.278 ( 6.207 0.000 0.612) 6.237 5.432 ( -0.689 -0.000 -0.134) 0.702 5.546 ( 2.601 0.000 1.975) 3.266 5.620 ( 0.782 0.000 -0.132) 0.793 5.711 ( -4.097 -0.000 -5.189) 6.611 5.928 ( -4.745 -0.000 -8.067) 9.359 6.197 ( -6.087 -0.000 -6.662) 9.023 6.594 ( -3.573 -0.000 4.242) 5.546 6.645 ( 2.480 0.000 1.589) 2.946 6.890 ( -3.277 -0.000 10.734) 11.223 6.944 ( -1.451 -0.000 0.032) 1.451 7.112 ( 1.426 0.000 0.050) 1.427 7.393 ( 4.776 0.000 0.647) 4.819 7.890 ( -5.283 -0.000 -1.189) 5.415 8.100 ( 8.660 0.000 4.833) 9.917 8.635 ( 1.256 0.000 3.788) 3.991 11.125 ( 0.123 0.000 -0.302) 0.326 12.149 ( 0.104 0.000 0.231) 0.253 13.633 ( 1.570 0.000 0.951) 1.835 16.616 ( -15.333 -0.000 39.685) 42.544 17.467 ( 15.796 0.000 -19.446) 25.053 18.032 ( -4.617 -0.000 -4.248) 6.274 ======================= Grid point 62 (43/324) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 8.930 -0.665 13.233) 15.978 1.343 ( 10.576 -15.146 10.905) 21.452 1.582 ( -5.066 -12.054 -13.061) 18.481 1.948 ( 6.655 -5.273 15.390) 17.577 2.340 ( -0.940 -22.428 -6.274) 23.308 2.926 ( -5.927 -15.635 -0.101) 16.721 3.540 ( 3.787 -9.019 14.377) 17.389 3.591 ( -0.949 0.213 12.377) 12.415 3.906 ( -3.569 -1.090 -5.383) 6.550 3.942 ( -1.269 -1.320 -1.234) 2.208 4.168 ( 0.048 -7.869 0.171) 7.871 4.278 ( -4.849 -13.182 -16.027) 21.311 4.577 ( 0.865 -2.665 -6.054) 6.671 4.860 ( -0.638 -0.359 -3.736) 3.807 5.301 ( 5.420 0.455 0.552) 5.467 5.438 ( 2.224 2.499 2.427) 4.133 5.525 ( 0.436 -1.618 1.459) 2.222 5.660 ( -3.042 1.250 -4.474) 5.553 5.714 ( 1.182 -5.475 -0.208) 5.605 5.874 ( -4.925 0.837 -8.216) 9.616 6.117 ( -7.408 2.967 -6.198) 10.104 6.558 ( -4.025 2.963 4.508) 6.731 6.651 ( 3.319 1.561 2.042) 4.198 6.798 ( 0.237 9.045 8.975) 12.745 6.872 ( -0.318 6.022 -0.522) 6.053 7.175 ( 1.228 -4.541 0.118) 4.706 7.444 ( 3.445 -2.245 1.458) 4.363 7.802 ( -5.176 5.822 -2.262) 8.112 8.048 ( 8.888 10.387 6.078) 14.961 8.430 ( 1.619 16.875 1.743) 17.042 11.278 ( 0.315 -15.299 0.372) 15.307 12.798 ( -8.309 -56.345 -6.743) 57.352 13.632 ( 1.266 0.860 0.694) 1.681 16.509 ( -10.551 14.192 29.928) 34.763 17.362 ( 14.743 12.642 -11.701) 22.674 17.921 ( -4.594 7.649 -4.668) 10.070 ======================= Grid point 63 (44/324) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 2.772 -9.045 12.324) 15.537 1.580 ( -0.761 -12.251 -5.881) 13.610 1.863 ( 2.284 -13.316 6.848) 15.147 2.260 ( 1.805 -22.211 0.357) 22.287 2.796 ( 0.265 -24.770 -0.146) 24.771 3.268 ( -2.828 -20.721 0.743) 20.927 3.552 ( -1.111 1.640 8.842) 9.062 3.795 ( -1.934 -4.958 7.413) 9.126 3.901 ( -4.380 -5.189 -13.957) 15.522 4.115 ( 3.486 -18.025 10.751) 21.275 4.312 ( 1.501 -6.571 -0.092) 6.741 4.499 ( -1.531 -12.802 -6.753) 14.555 4.703 ( -0.223 -13.500 -9.386) 16.444 4.866 ( -0.807 -1.507 -2.105) 2.712 5.320 ( 2.924 0.024 1.234) 3.174 5.391 ( 5.412 3.771 3.953) 7.690 5.594 ( -0.457 -2.023 2.734) 3.431 5.620 ( -3.318 -1.627 -6.635) 7.595 5.800 ( -1.845 -2.327 -2.773) 4.063 5.830 ( -2.645 -1.234 -4.007) 4.957 6.010 ( -6.345 2.106 -4.844) 8.256 6.485 ( -2.138 4.232 5.212) 7.046 6.613 ( 2.809 5.047 2.596) 6.333 6.652 ( 0.316 8.295 3.606) 9.050 6.745 ( 0.938 6.574 -0.598) 6.667 7.261 ( 0.826 -3.320 -0.059) 3.422 7.471 ( 3.741 3.648 1.759) 5.513 7.644 ( -3.501 6.583 0.320) 7.462 7.880 ( 5.836 10.339 3.038) 12.255 8.133 ( -0.316 14.788 -0.828) 14.814 11.649 ( 0.621 -21.657 1.311) 21.706 13.574 ( 0.425 -2.775 0.500) 2.851 13.840 ( -8.954 -48.017 -8.160) 49.521 16.189 ( -4.982 21.495 17.701) 28.287 17.100 ( 10.242 18.549 -3.701) 21.510 17.704 ( -3.429 11.447 -4.316) 12.705 ======================= Grid point 64 (45/324) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -2.863 -15.185 7.860) 17.336 1.850 ( -1.141 -18.336 -6.050) 19.342 2.119 ( 2.966 -11.411 7.669) 14.065 2.674 ( -1.812 -20.442 -6.254) 21.454 3.214 ( 0.755 -16.995 3.721) 17.414 3.513 ( -0.673 -1.772 9.750) 9.932 3.668 ( -2.740 -13.578 -4.082) 14.441 3.848 ( -2.032 -7.244 0.534) 7.542 4.016 ( -3.942 -11.919 -8.300) 15.050 4.436 ( 2.340 -5.774 0.585) 6.257 4.587 ( 4.577 -22.176 12.595) 25.910 4.692 ( 1.844 -9.279 -2.598) 9.811 4.882 ( 0.847 -2.755 -3.705) 4.694 4.997 ( -1.946 -16.435 -5.621) 17.478 5.305 ( 2.945 3.831 3.775) 6.132 5.398 ( 4.033 -1.190 1.244) 4.385 5.577 ( -2.554 0.758 -2.572) 3.703 5.646 ( -4.612 -1.827 -4.660) 6.806 5.801 ( -3.051 -0.167 -0.848) 3.171 5.844 ( -1.940 -3.816 -2.765) 5.096 6.007 ( -0.425 -3.334 -1.432) 3.654 6.416 ( -0.189 4.270 4.760) 6.398 6.489 ( -0.485 8.945 0.286) 8.962 6.513 ( 1.441 6.754 1.623) 7.094 6.645 ( 0.010 4.282 -2.185) 4.807 7.262 ( 0.789 5.189 0.681) 5.293 7.313 ( -0.683 11.235 -0.539) 11.269 7.580 ( 5.962 2.939 6.170) 9.069 7.788 ( 0.585 0.812 -2.511) 2.703 7.881 ( -2.621 9.932 -1.074) 10.328 12.039 ( 0.548 -17.627 1.246) 17.680 13.560 ( 0.545 1.650 0.473) 1.801 14.612 ( -4.846 -35.643 -3.913) 36.183 15.796 ( -2.524 20.940 7.906) 22.525 16.753 ( 5.216 20.769 -0.656) 21.424 17.459 ( -1.840 11.792 -2.776) 12.253 ======================= Grid point 65 (46/324) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -4.029 -18.680 3.399) 19.409 2.206 ( 0.233 -20.191 -2.466) 20.343 2.373 ( 1.279 -13.100 2.448) 13.388 2.972 ( -1.768 -14.396 -4.710) 15.249 3.369 ( -0.453 0.940 4.022) 4.155 3.591 ( -1.335 -3.816 2.314) 4.658 3.810 ( -2.295 -10.022 -2.507) 10.582 4.142 ( 2.503 -17.433 1.876) 17.711 4.245 ( -3.634 -14.906 -3.394) 15.714 4.534 ( 1.073 -3.000 0.497) 3.224 4.855 ( 4.201 -7.109 -2.731) 8.697 4.922 ( 1.947 -4.478 5.792) 7.576 4.933 ( -0.626 -4.443 0.931) 4.582 5.226 ( 3.969 2.517 4.873) 6.770 5.274 ( -0.321 -10.158 -2.866) 10.560 5.456 ( 1.037 -3.245 0.513) 3.445 5.548 ( -4.839 -0.797 -2.017) 5.303 5.641 ( -3.139 -1.986 -4.781) 6.054 5.835 ( 2.851 -3.326 1.083) 4.513 5.920 ( -2.483 -4.727 -1.892) 5.665 6.068 ( 0.681 -2.815 -0.250) 2.907 6.286 ( -0.088 9.458 1.471) 9.572 6.369 ( -1.179 4.430 -0.057) 4.585 6.407 ( 0.796 5.121 0.583) 5.216 6.580 ( -1.555 0.196 -2.664) 3.091 7.090 ( 0.477 9.877 -1.007) 9.940 7.103 ( 1.191 12.767 2.693) 13.102 7.581 ( 3.771 1.044 1.579) 4.219 7.775 ( -2.605 -0.496 1.026) 2.843 7.810 ( 0.011 -2.547 -2.294) 3.428 12.289 ( 0.132 -8.236 0.425) 8.248 13.535 ( 0.247 1.220 0.238) 1.267 15.109 ( 0.210 -18.400 2.973) 18.640 15.457 ( -3.024 13.544 -0.912) 13.907 16.386 ( 1.974 19.194 -0.120) 19.295 17.239 ( -0.719 10.239 -1.191) 10.333 ======================= Grid point 66 (47/324) ======================= q-point: ( 0.64 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -2.043 -19.247 0.878) 19.375 2.574 ( 0.537 -18.437 -0.280) 18.447 2.635 ( 0.032 -13.972 -0.451) 13.979 3.200 ( 0.228 -11.134 -1.052) 11.186 3.291 ( -1.389 6.248 0.893) 6.463 3.651 ( -1.387 -4.235 -0.688) 4.509 4.006 ( -0.147 -10.022 -0.303) 10.028 4.455 ( 2.437 -13.012 1.861) 13.369 4.481 ( -1.985 -10.142 -0.262) 10.338 4.552 ( 0.397 0.490 0.319) 0.706 4.858 ( -0.861 10.221 -1.315) 10.341 4.949 ( 0.296 -0.047 1.610) 1.637 4.984 ( 2.281 -1.986 -0.532) 3.070 5.210 ( 2.011 -2.060 1.976) 3.492 5.455 ( 0.735 -5.760 2.308) 6.248 5.507 ( -1.354 -1.390 -0.684) 2.058 5.558 ( -1.368 -1.805 -0.956) 2.458 5.666 ( -1.226 -2.055 -2.942) 3.793 5.899 ( 3.292 0.932 0.480) 3.454 5.976 ( -2.587 -4.211 -0.591) 4.978 6.114 ( 1.822 -1.309 0.619) 2.327 6.148 ( -0.964 3.936 -0.234) 4.059 6.272 ( -0.844 4.704 -0.010) 4.779 6.325 ( -0.693 3.132 -1.382) 3.493 6.643 ( -0.453 -6.779 0.732) 6.834 6.869 ( 0.933 11.985 0.541) 12.033 6.936 ( 0.441 6.490 -0.714) 6.544 7.604 ( 0.145 -2.692 -0.192) 2.703 7.817 ( -0.142 -2.506 1.815) 3.097 7.865 ( 0.010 -3.807 -1.528) 4.102 12.368 ( -0.106 -1.008 -0.089) 1.017 13.517 ( 0.083 0.843 0.090) 0.852 15.180 ( 1.318 9.547 4.507) 10.639 15.433 ( -1.997 -10.829 -3.660) 11.604 16.069 ( 0.442 14.468 -0.057) 14.475 17.062 ( -0.155 8.032 -0.271) 8.038 ======================= Grid point 67 (48/324) ======================= q-point: ( 0.71 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 0.000 -16.259 0.000) 16.259 2.879 ( 0.000 -13.282 0.000) 13.282 2.884 ( 0.000 -11.750 0.000) 11.750 3.132 ( -0.000 9.092 -0.000) 9.092 3.408 ( 0.000 -10.012 0.000) 10.012 3.752 ( 0.000 -6.989 0.000) 6.989 4.158 ( 0.000 -5.338 0.000) 5.338 4.454 ( -0.000 6.297 -0.000) 6.297 4.537 ( -0.000 8.792 -0.000) 8.792 4.667 ( 0.000 -4.520 0.000) 4.520 4.708 ( 0.000 -1.657 0.000) 1.657 4.925 ( -0.000 0.137 -0.000) 0.137 4.993 ( -0.000 2.281 -0.000) 2.281 5.313 ( 0.000 -6.054 0.000) 6.054 5.491 ( -0.000 1.303 -0.000) 1.303 5.510 ( 0.000 -0.217 0.000) 0.217 5.580 ( 0.000 -0.621 0.000) 0.621 5.664 ( -0.000 1.704 -0.000) 1.704 5.872 ( -0.000 0.319 -0.000) 0.319 6.036 ( 0.000 -1.808 0.000) 1.808 6.102 ( -0.000 0.941 -0.000) 0.941 6.150 ( 0.000 -1.002 0.000) 1.002 6.202 ( -0.000 2.248 -0.000) 2.248 6.294 ( 0.000 -0.363 0.000) 0.363 6.693 ( -0.000 5.960 -0.000) 5.960 6.769 ( 0.000 -2.927 0.000) 2.927 6.850 ( -0.000 0.897 -0.000) 0.897 7.674 ( 0.000 -4.384 0.000) 4.384 7.847 ( 0.000 -0.295 0.000) 0.295 7.931 ( 0.000 -2.612 0.000) 2.612 12.366 ( -0.000 0.260 -0.000) 0.260 13.504 ( -0.000 0.627 -0.000) 0.627 15.030 ( -0.000 7.059 -0.000) 7.059 15.596 ( 0.000 -7.388 0.000) 7.388 15.858 ( -0.000 7.795 -0.000) 7.795 16.937 ( -0.000 4.931 -0.000) 4.931 ======================= Grid point 77 (49/324) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 5.483 0.000 12.675) 13.810 1.214 ( 13.818 0.000 10.334) 17.255 1.429 ( -4.529 -0.000 -18.260) 18.813 2.022 ( -2.694 -0.000 -13.893) 14.152 2.074 ( 10.573 0.000 30.472) 32.254 2.729 ( -7.121 -0.000 -0.353) 7.130 3.484 ( 4.303 0.000 12.862) 13.562 3.647 ( -0.525 -0.000 10.781) 10.794 3.901 ( -2.705 -0.000 1.663) 3.175 3.920 ( -1.331 -0.000 -6.807) 6.936 4.046 ( -5.647 -0.000 -17.629) 18.511 4.081 ( -0.004 -0.000 0.000) 0.004 4.549 ( 0.698 0.000 -5.940) 5.980 4.843 ( -1.028 -0.000 -3.168) 3.331 5.347 ( 6.617 0.000 2.213) 6.977 5.426 ( -0.514 -0.000 -0.104) 0.524 5.598 ( 4.748 0.000 4.127) 6.291 5.626 ( 0.595 0.000 -0.104) 0.604 5.652 ( -2.236 -0.000 -4.230) 4.785 5.835 ( -5.025 -0.000 -8.884) 10.207 6.090 ( -9.118 -0.000 -6.825) 11.389 6.578 ( -3.590 -0.000 3.215) 4.819 6.686 ( 3.129 0.000 2.336) 3.905 6.924 ( -0.368 -0.000 7.688) 7.697 6.932 ( -1.030 -0.000 0.027) 1.030 7.123 ( 1.011 0.000 0.040) 1.012 7.428 ( 2.016 0.000 0.463) 2.069 7.829 ( -4.269 -0.000 -2.808) 5.110 8.204 ( 7.177 0.000 4.878) 8.677 8.661 ( 0.856 0.000 2.406) 2.553 11.124 ( 0.096 0.000 -0.243) 0.262 12.151 ( 0.084 0.000 0.185) 0.203 13.654 ( 1.598 0.000 0.985) 1.877 16.677 ( -10.638 -0.000 26.968) 28.990 17.518 ( 13.643 0.000 -11.953) 18.139 17.961 ( -5.526 -0.000 -4.622) 7.204 ======================= Grid point 78 (50/324) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 6.343 -0.672 14.446) 15.791 1.366 ( -3.605 -4.208 -17.159) 18.031 1.558 ( 6.393 -21.375 8.401) 23.840 2.042 ( 1.512 -4.590 0.642) 4.875 2.357 ( 2.802 -18.906 9.425) 21.310 2.881 ( -3.937 -17.042 0.505) 17.499 3.624 ( 0.806 1.838 8.595) 8.826 3.662 ( 2.277 -9.427 11.187) 14.806 3.809 ( -3.609 1.229 -11.817) 12.417 3.951 ( -1.378 -3.035 4.122) 5.301 4.158 ( -3.757 -15.272 -13.538) 20.751 4.174 ( 0.485 -8.096 0.671) 8.138 4.554 ( 0.353 -2.511 -4.593) 5.246 4.837 ( -0.728 -0.648 -2.394) 2.585 5.356 ( 4.617 1.339 2.553) 5.443 5.466 ( 0.873 -1.644 0.393) 1.903 5.545 ( 1.722 2.201 2.364) 3.660 5.627 ( 0.784 1.191 -2.369) 2.765 5.727 ( 1.616 -4.609 0.662) 4.928 5.787 ( -4.264 -0.000 -7.217) 8.382 6.004 ( -9.557 2.197 -6.270) 11.639 6.548 ( -2.508 2.378 2.914) 4.521 6.687 ( 2.162 1.937 1.731) 3.380 6.843 ( 0.568 8.403 5.724) 10.183 6.870 ( 0.167 5.720 -0.174) 5.725 7.187 ( 1.135 -4.566 0.282) 4.713 7.472 ( 1.153 -3.109 0.738) 3.396 7.748 ( -3.290 5.846 -2.378) 7.117 8.143 ( 5.584 10.396 4.147) 12.508 8.451 ( 1.090 17.828 1.144) 17.898 11.282 ( 0.217 -15.739 0.261) 15.743 12.717 ( -4.106 -51.063 -3.296) 51.334 13.648 ( 1.124 1.396 0.672) 1.914 16.560 ( -6.687 13.964 18.167) 23.869 17.433 ( 10.990 11.895 -5.947) 17.252 17.853 ( -4.765 7.038 -4.296) 9.523 ======================= Grid point 79 (51/324) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 3.387 -4.422 11.292) 12.591 1.481 ( -4.811 -15.573 -13.091) 20.905 1.984 ( 7.018 -11.617 14.805) 20.085 2.236 ( -2.617 -19.963 -7.375) 21.441 2.814 ( 0.907 -24.678 3.428) 24.931 3.252 ( -1.400 -21.650 0.507) 21.701 3.586 ( 0.114 2.375 5.121) 5.646 3.800 ( -2.358 -0.487 2.749) 3.655 3.804 ( -2.694 -5.831 -8.959) 11.023 4.205 ( 3.101 -21.436 10.533) 24.084 4.327 ( 1.282 -7.139 0.305) 7.260 4.442 ( -1.659 -17.053 -8.357) 19.062 4.662 ( -0.214 -11.302 -4.872) 12.310 4.850 ( -0.610 -1.532 -1.283) 2.089 5.369 ( 4.191 0.554 4.447) 6.136 5.453 ( 3.173 2.875 2.958) 5.204 5.546 ( -3.879 -0.996 -7.477) 8.482 5.619 ( 2.467 0.480 2.932) 3.862 5.756 ( -2.148 -1.686 -3.248) 4.244 5.792 ( -3.632 -0.643 -2.450) 4.428 5.940 ( -3.601 -1.982 -2.743) 4.942 6.490 ( -1.172 3.401 2.474) 4.366 6.632 ( 0.329 5.294 0.576) 5.336 6.688 ( 1.837 9.425 4.343) 10.539 6.747 ( 0.336 6.609 -1.348) 6.754 7.268 ( 0.675 -2.837 0.107) 2.919 7.504 ( 1.838 5.339 0.648) 5.684 7.614 ( -2.448 1.751 -0.337) 3.029 7.936 ( 3.153 12.488 1.905) 13.020 8.129 ( 0.015 16.162 -0.337) 16.166 11.659 ( 0.348 -21.937 0.739) 21.952 13.579 ( 0.102 -7.241 0.175) 7.244 13.750 ( -4.064 -43.405 -3.674) 43.750 16.226 ( -2.623 21.824 9.040) 23.768 17.161 ( 5.874 19.271 -1.334) 20.191 17.656 ( -2.433 10.487 -2.883) 11.145 ======================= Grid point 80 (52/324) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -0.832 -12.396 3.469) 12.899 1.802 ( -1.215 -20.910 -4.004) 21.324 2.190 ( 2.309 -8.404 5.249) 10.174 2.628 ( -1.275 -20.545 -3.638) 20.903 3.237 ( 0.404 -16.787 1.922) 16.901 3.559 ( 0.771 -1.696 6.744) 6.996 3.619 ( -2.133 -10.576 -4.983) 11.884 3.843 ( -0.168 -10.467 0.605) 10.485 3.954 ( -1.929 -12.430 -3.581) 13.078 4.453 ( 0.852 -5.726 0.288) 5.796 4.672 ( -0.055 -19.417 9.750) 21.727 4.693 ( 2.666 -13.027 -4.782) 14.130 4.878 ( 1.508 -2.599 -1.900) 3.555 4.949 ( -2.194 -18.195 -3.169) 18.598 5.359 ( 2.558 4.880 4.161) 6.905 5.444 ( 3.724 -0.610 1.270) 3.981 5.518 ( -4.000 0.096 -4.486) 6.011 5.595 ( -2.577 1.217 -1.502) 3.222 5.786 ( -0.180 -2.382 0.274) 2.405 5.814 ( -1.541 -4.727 -1.684) 5.249 6.001 ( 0.026 -4.143 -0.371) 4.159 6.428 ( -0.352 3.445 1.328) 3.709 6.484 ( -0.311 9.594 0.030) 9.600 6.543 ( 1.550 7.914 2.100) 8.333 6.630 ( -0.529 5.187 -1.771) 5.507 7.270 ( 0.394 3.930 0.264) 3.959 7.304 ( -0.529 12.055 -0.360) 12.072 7.659 ( 4.068 -1.538 4.621) 6.346 7.760 ( -2.077 6.335 -3.727) 7.638 7.866 ( -0.509 9.359 0.096) 9.374 12.047 ( 0.196 -17.521 0.447) 17.527 13.565 ( 0.217 1.798 0.183) 1.820 14.567 ( -1.718 -37.587 -1.338) 37.650 15.809 ( -0.816 22.023 2.741) 22.208 16.784 ( 1.859 21.562 -0.129) 21.642 17.436 ( -0.711 11.172 -1.063) 11.245 ======================= Grid point 81 (53/324) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 0.000 -18.126 0.000) 18.126 2.197 ( 0.000 -21.132 0.000) 21.132 2.390 ( 0.000 -11.752 0.000) 11.752 2.950 ( 0.000 -14.839 0.000) 14.839 3.379 ( -0.000 1.155 -0.000) 1.155 3.589 ( 0.000 -1.931 0.000) 1.931 3.794 ( 0.000 -11.504 0.000) 11.504 4.169 ( 0.000 -18.532 0.000) 18.532 4.209 ( 0.000 -14.827 0.000) 14.827 4.540 ( 0.000 -2.795 0.000) 2.795 4.867 ( 0.000 -7.791 0.000) 7.791 4.920 ( 0.000 -2.353 0.000) 2.353 4.960 ( 0.000 -4.715 0.000) 4.715 5.261 ( -0.000 4.002 -0.000) 4.002 5.266 ( 0.000 -13.123 0.000) 13.123 5.476 ( 0.000 -0.246 0.000) 0.246 5.503 ( 0.000 -2.961 0.000) 2.961 5.610 ( 0.000 -2.758 0.000) 2.758 5.863 ( 0.000 -5.203 0.000) 5.203 5.893 ( 0.000 -3.501 0.000) 3.501 6.071 ( 0.000 -3.160 0.000) 3.160 6.289 ( -0.000 9.871 -0.000) 9.871 6.364 ( -0.000 4.445 -0.000) 4.445 6.414 ( -0.000 6.238 -0.000) 6.238 6.564 ( 0.000 -0.019 0.000) 0.019 7.089 ( -0.000 9.831 -0.000) 9.831 7.116 ( -0.000 12.151 -0.000) 12.151 7.607 ( -0.000 3.679 -0.000) 3.679 7.758 ( 0.000 -3.877 0.000) 3.877 7.807 ( 0.000 -1.205 0.000) 1.205 12.291 ( 0.000 -8.058 0.000) 8.058 13.537 ( -0.000 1.259 -0.000) 1.259 15.118 ( 0.000 -21.840 0.000) 21.840 15.441 ( -0.000 16.587 -0.000) 16.587 16.395 ( -0.000 19.526 -0.000) 19.526 17.232 ( -0.000 10.003 -0.000) 10.003 ======================= Grid point 93 (54/324) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 0.018 0.000 8.633) 8.633 1.315 ( -0.695 -0.000 -13.173) 13.191 1.367 ( 8.385 0.000 7.419) 11.196 1.935 ( -2.103 -0.000 -9.323) 9.557 2.299 ( 6.791 0.000 20.159) 21.272 2.674 ( -4.341 -0.000 -0.184) 4.344 3.578 ( 2.902 0.000 8.982) 9.439 3.690 ( 0.346 0.000 4.426) 4.440 3.845 ( -3.214 -0.000 -7.849) 8.481 3.871 ( -1.356 -0.000 -5.903) 6.056 3.959 ( -2.781 -0.000 -2.217) 3.557 4.081 ( -0.003 -0.000 -0.000) 0.003 4.526 ( 0.288 0.000 -3.762) 3.773 4.822 ( -0.707 -0.000 -1.662) 1.806 5.411 ( 3.855 0.000 2.669) 4.689 5.422 ( -0.272 -0.000 -0.056) 0.278 5.617 ( 0.062 0.000 -0.561) 0.564 5.630 ( 0.320 0.000 -0.057) 0.325 5.690 ( 7.333 0.000 3.015) 7.928 5.751 ( -2.944 -0.000 -5.638) 6.360 5.961 ( -11.023 -0.000 -6.641) 12.869 6.567 ( -1.859 -0.000 1.742) 2.547 6.720 ( 1.719 0.000 1.444) 2.244 6.925 ( -0.534 -0.000 0.016) 0.534 6.959 ( 0.622 0.000 4.274) 4.319 7.131 ( 0.523 0.000 0.022) 0.524 7.436 ( -0.067 -0.000 -0.250) 0.258 7.790 ( -1.732 -0.000 -1.574) 2.340 8.276 ( 3.762 0.000 2.719) 4.642 8.677 ( 0.461 0.000 1.160) 1.248 11.124 ( 0.053 0.000 -0.136) 0.146 12.152 ( 0.047 0.000 0.103) 0.113 13.671 ( 1.028 0.000 0.639) 1.210 16.710 ( -5.621 -0.000 13.473) 14.598 17.582 ( 9.553 0.000 -4.840) 10.709 17.887 ( -5.201 -0.000 -3.514) 6.277 ======================= Grid point 94 (55/324) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 3.903 -5.429 14.501) 15.968 1.228 ( -3.905 0.673 -16.692) 17.156 1.657 ( 3.948 -22.588 5.421) 23.563 2.020 ( -1.134 -6.749 -3.702) 7.780 2.436 ( 1.842 -12.730 6.647) 14.478 2.861 ( -1.251 -17.911 0.509) 17.962 3.656 ( 0.199 3.113 1.715) 3.560 3.724 ( 0.844 -6.885 4.474) 8.254 3.741 ( -1.072 -0.458 -3.543) 3.730 3.962 ( -0.331 -4.955 3.041) 5.824 4.071 ( -1.915 -15.837 -7.427) 17.597 4.181 ( 0.238 -8.462 0.350) 8.473 4.538 ( 0.082 -2.546 -1.748) 3.090 4.823 ( -0.326 -0.754 -0.856) 1.186 5.409 ( 3.209 0.619 3.586) 4.851 5.452 ( -1.933 -1.535 -2.713) 3.668 5.571 ( 0.945 3.682 1.986) 4.288 5.638 ( 1.800 -0.645 -1.531) 2.449 5.731 ( -1.318 -1.185 -2.492) 3.058 5.763 ( 4.373 -0.302 2.787) 5.194 5.885 ( -8.541 -0.035 -5.026) 9.911 6.543 ( -0.832 2.074 1.001) 2.448 6.707 ( 0.704 2.327 0.639) 2.513 6.863 ( 0.049 6.086 0.998) 6.168 6.875 ( 0.386 7.539 0.962) 7.610 7.197 ( 0.527 -4.666 0.196) 4.700 7.477 ( -0.081 -3.892 0.040) 3.893 7.720 ( -0.918 6.219 -0.844) 6.342 8.192 ( 1.875 10.463 1.441) 10.726 8.462 ( 0.393 18.167 0.390) 18.176 11.285 ( 0.077 -15.987 0.094) 15.987 12.682 ( -1.247 -48.562 -0.996) 48.588 13.658 ( 0.452 1.660 0.277) 1.743 16.583 ( -2.323 13.780 6.052) 15.228 17.489 ( 4.666 12.228 -1.474) 13.171 17.799 ( -2.543 6.158 -1.969) 6.948 ======================= Grid point 95 (56/324) ======================= q-point: ( 0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 0.000 -0.882 0.000) 0.882 1.411 ( 0.000 -18.696 0.000) 18.696 2.094 ( 0.000 -3.990 0.000) 3.990 2.167 ( 0.000 -26.679 0.000) 26.679 2.831 ( 0.000 -24.185 0.000) 24.185 3.247 ( 0.000 -21.861 0.000) 21.861 3.602 ( -0.000 2.571 -0.000) 2.571 3.766 ( 0.000 -6.076 0.000) 6.076 3.794 ( -0.000 0.782 -0.000) 0.782 4.259 ( 0.000 -22.566 0.000) 22.566 4.334 ( 0.000 -7.580 0.000) 7.580 4.402 ( 0.000 -18.313 0.000) 18.313 4.648 ( 0.000 -10.372 0.000) 10.372 4.843 ( 0.000 -1.545 0.000) 1.545 5.421 ( -0.000 0.308 -0.000) 0.308 5.470 ( 0.000 -2.115 0.000) 2.115 5.493 ( -0.000 4.600 -0.000) 4.600 5.652 ( -0.000 2.155 -0.000) 2.155 5.740 ( 0.000 -0.824 0.000) 0.824 5.751 ( 0.000 -1.209 0.000) 1.209 5.918 ( 0.000 -4.337 0.000) 4.337 6.492 ( -0.000 3.214 -0.000) 3.214 6.635 ( -0.000 5.895 -0.000) 5.895 6.714 ( -0.000 9.001 -0.000) 9.001 6.740 ( -0.000 6.811 -0.000) 6.811 7.272 ( 0.000 -2.627 0.000) 2.627 7.513 ( -0.000 6.773 -0.000) 6.773 7.602 ( 0.000 -0.707 0.000) 0.707 7.956 ( -0.000 13.073 -0.000) 13.073 8.128 ( -0.000 16.659 -0.000) 16.659 11.662 ( 0.000 -22.038 0.000) 22.038 13.579 ( 0.000 -10.461 0.000) 10.461 13.722 ( 0.000 -40.013 0.000) 40.013 16.238 ( -0.000 21.895 -0.000) 21.895 17.186 ( -0.000 19.729 -0.000) 19.729 17.636 ( -0.000 9.949 -0.000) 9.949 ======================= Grid point 110 (57/324) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.000 0.000 -0.000) 0.000 1.278 ( 0.000 0.000 0.000) 0.000 1.430 ( 0.000 0.000 0.000) 0.000 1.897 ( 0.000 0.000 -0.000) 0.000 2.388 ( 0.000 0.000 -0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 3.619 ( 0.000 0.000 -0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 3.810 ( 0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 3.942 ( 0.000 0.000 -0.000) 0.000 4.081 ( 0.000 0.000 0.000) 0.000 4.517 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.436 ( 0.000 0.000 0.000) 0.000 5.626 ( -0.000 -0.000 -0.000) 0.000 5.631 ( 0.000 0.000 0.000) 0.000 5.688 ( 0.000 0.000 0.000) 0.000 5.816 ( -0.000 -0.000 -0.000) 0.000 5.832 ( 0.000 0.000 0.000) 0.000 6.563 ( 0.000 0.000 0.000) 0.000 6.731 ( 0.000 0.000 0.000) 0.000 6.923 ( 0.000 0.000 0.000) 0.000 6.975 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 -0.000) 0.000 7.433 ( 0.000 0.000 0.000) 0.000 7.779 ( 0.000 0.000 0.000) 0.000 8.300 ( 0.000 0.000 0.000) 0.000 8.682 ( 0.000 0.000 0.000) 0.000 11.124 ( 0.000 0.000 0.000) 0.000 12.153 ( 0.000 0.000 -0.000) 0.000 13.677 ( 0.000 0.000 0.000) 0.000 16.720 ( 0.000 0.000 0.000) 0.000 17.619 ( 0.000 0.000 -0.000) 0.000 17.848 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 205 (58/324) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( -1.620 -0.000 19.006) 19.075 0.363 ( 5.208 0.000 19.060) 19.758 0.962 ( 12.369 0.000 50.134) 51.637 2.142 ( -6.745 -0.000 -20.817) 21.883 2.326 ( -4.815 -0.000 -17.244) 17.903 2.964 ( 1.992 0.000 0.410) 2.033 3.154 ( 2.396 0.000 15.620) 15.803 3.577 ( 4.862 0.000 14.992) 15.761 3.775 ( 3.702 0.000 6.000) 7.050 4.006 ( -0.892 -0.000 -3.873) 3.974 4.081 ( 0.015 0.000 -0.016) 0.022 4.506 ( -8.448 -0.000 -11.754) 14.475 4.630 ( -7.790 -0.000 -13.171) 15.303 4.969 ( -4.053 -0.000 -2.375) 4.698 5.158 ( -0.293 -0.000 1.235) 1.270 5.453 ( -0.041 -0.000 -0.118) 0.125 5.599 ( -0.043 -0.000 -0.114) 0.122 5.616 ( -2.163 -0.000 -2.515) 3.317 5.781 ( 1.031 0.000 -1.962) 2.216 6.021 ( 2.257 0.000 4.558) 5.086 6.276 ( 0.246 0.000 -4.039) 4.047 6.400 ( 10.889 0.000 -4.442) 11.760 6.767 ( -1.974 -0.000 -0.685) 2.089 6.951 ( 7.514 0.000 4.633) 8.827 6.998 ( -0.006 -0.000 0.031) 0.031 7.058 ( 0.023 0.000 0.040) 0.046 7.443 ( 15.218 0.000 5.787) 16.281 7.550 ( -15.833 -0.000 5.301) 16.697 8.175 ( 3.485 0.000 -8.159) 8.872 8.533 ( 4.589 0.000 4.474) 6.409 11.123 ( -0.053 -0.000 -0.295) 0.299 12.145 ( 0.049 0.000 0.216) 0.222 13.605 ( -0.670 -0.000 0.547) 0.865 16.245 ( 62.360 0.000 1.105) 62.370 17.774 ( -33.676 -0.000 -2.007) 33.736 18.165 ( -1.690 -0.000 0.291) 1.715 ======================= Grid point 206 (59/324) ======================= q-point: ( 0.07 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -1.623 -17.487 13.513) 22.160 0.919 ( 5.688 -25.734 18.212) 32.035 1.293 ( 11.384 -21.810 32.363) 40.653 2.089 ( -7.816 -4.343 -21.637) 23.411 2.471 ( -4.175 -19.857 -15.553) 25.566 3.086 ( 0.442 -11.639 0.392) 11.654 3.337 ( 3.021 -12.041 16.229) 20.433 3.596 ( 2.665 2.787 14.243) 14.755 3.838 ( 4.246 -3.299 6.645) 8.547 4.105 ( -3.379 -5.146 -9.875) 11.637 4.195 ( 0.570 -9.225 -6.842) 11.499 4.499 ( -5.499 -2.559 -8.682) 10.591 4.614 ( -4.870 -9.763 -16.279) 19.597 4.946 ( -4.052 -0.080 -0.264) 4.061 5.162 ( 1.218 -0.350 0.622) 1.412 5.500 ( -5.099 2.596 -2.109) 6.098 5.528 ( 0.715 -3.860 1.691) 4.274 5.671 ( 1.356 -3.652 0.809) 3.979 5.751 ( 0.491 2.691 -2.919) 4.000 6.021 ( 0.083 1.404 0.801) 1.619 6.242 ( -1.475 1.783 -1.726) 2.886 6.401 ( 10.179 3.086 -3.289) 11.133 6.710 ( -1.739 4.936 3.183) 6.125 6.815 ( -0.647 10.316 6.380) 12.147 6.917 ( -0.812 7.765 1.739) 7.998 7.129 ( 1.011 -4.892 0.519) 5.023 7.413 ( -5.639 4.302 7.296) 10.175 7.499 ( 13.056 2.743 7.991) 15.551 7.965 ( 0.654 12.176 0.849) 12.223 8.374 ( 0.206 9.426 -0.614) 9.448 11.264 ( 0.244 -14.204 0.222) 14.208 13.446 ( -16.079 -78.624 -49.044) 94.051 13.597 ( 0.382 0.075 -0.206) 0.441 16.357 ( 45.697 13.446 -4.316) 47.829 17.206 ( -27.317 29.041 24.483) 46.787 18.068 ( -2.334 8.399 -0.669) 8.742 ======================= Grid point 207 (60/324) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -2.812 -21.244 10.216) 23.740 1.337 ( 5.640 -14.624 25.338) 29.794 2.002 ( 5.203 -36.226 5.643) 37.031 2.129 ( -6.644 -10.273 -18.213) 21.941 2.839 ( -2.335 -22.001 -9.184) 23.955 3.359 ( 0.406 -14.555 3.177) 14.904 3.609 ( -0.056 -1.817 10.235) 10.395 3.692 ( 4.812 -16.188 14.019) 21.948 3.983 ( 2.946 -9.123 8.290) 12.674 4.134 ( -5.242 -4.843 -15.195) 16.788 4.304 ( 0.193 -4.210 -2.982) 5.163 4.511 ( 0.035 -3.934 -9.783) 10.545 4.814 ( -5.055 -14.721 -13.314) 20.482 4.949 ( -3.223 -1.776 4.468) 5.788 5.199 ( 1.624 -3.155 -0.349) 3.566 5.406 ( -5.380 2.470 -2.810) 6.553 5.632 ( -0.807 -2.645 1.703) 3.247 5.684 ( 1.469 1.342 -1.592) 2.548 5.764 ( 2.320 -4.651 0.535) 5.225 5.978 ( -1.725 2.166 -3.030) 4.105 6.200 ( -3.854 1.008 -0.799) 4.063 6.369 ( 9.096 4.446 -1.084) 10.183 6.584 ( -1.854 7.969 7.093) 10.829 6.689 ( -1.728 3.840 0.611) 4.255 6.764 ( -2.285 7.751 0.287) 8.086 7.225 ( 1.900 -4.144 0.886) 4.644 7.300 ( 3.466 9.611 5.723) 11.711 7.544 ( 4.938 0.311 4.671) 6.805 7.751 ( 0.421 10.378 0.104) 10.387 8.183 ( -1.627 9.743 -3.130) 10.362 11.613 ( 0.882 -20.699 1.132) 20.749 13.571 ( -0.417 1.374 0.594) 1.554 14.379 ( -12.945 -42.019 -27.649) 51.939 16.169 ( 21.112 20.432 2.245) 29.466 16.764 ( -7.971 16.566 13.105) 22.577 17.843 ( -2.705 13.197 -1.888) 13.603 ======================= Grid point 208 (61/324) ======================= q-point: ( 0.21 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -3.948 -21.525 8.695) 23.548 1.718 ( 3.804 -17.375 17.227) 24.762 2.248 ( -6.435 -12.998 -16.538) 21.997 2.677 ( 1.602 -28.853 -2.873) 29.040 3.189 ( -0.040 -16.439 0.040) 16.439 3.534 ( 1.032 -1.960 12.242) 12.441 3.798 ( -2.899 -16.424 -0.208) 16.679 3.941 ( 1.161 -6.458 3.143) 7.275 4.194 ( -3.433 -8.854 -9.080) 13.139 4.231 ( 4.977 -7.310 2.781) 9.270 4.444 ( -0.707 -12.431 2.918) 12.788 4.594 ( 2.473 -8.473 -7.042) 11.291 4.989 ( -3.699 -7.944 -2.876) 9.223 5.003 ( 0.614 -1.831 7.942) 8.174 5.281 ( -1.348 -4.961 -5.755) 7.717 5.366 ( -3.315 -2.693 -4.742) 6.382 5.574 ( 0.526 4.040 -1.700) 4.415 5.755 ( 0.372 -3.421 3.830) 5.149 5.865 ( 2.331 -4.467 -0.078) 5.039 5.916 ( -1.809 1.891 -5.557) 6.143 6.154 ( -6.116 1.476 -1.747) 6.530 6.320 ( 5.265 3.300 1.259) 6.340 6.468 ( -0.409 5.405 3.707) 6.567 6.583 ( -0.314 8.138 -0.598) 8.166 6.658 ( -3.158 0.863 -1.972) 3.822 7.109 ( 6.933 13.689 5.605) 16.336 7.297 ( 0.969 1.152 1.072) 1.847 7.452 ( -1.237 6.289 -0.486) 6.428 7.685 ( 3.394 -0.688 1.857) 3.930 8.001 ( -2.327 6.979 -2.047) 7.636 11.999 ( 1.189 -18.027 1.242) 18.109 13.544 ( -0.046 1.435 0.583) 1.549 14.867 ( -5.511 -20.105 -5.889) 21.662 15.878 ( 3.694 15.004 -0.555) 15.462 16.491 ( 2.168 14.675 3.983) 15.360 17.563 ( -2.452 14.037 -2.228) 14.422 ======================= Grid point 209 (62/324) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -4.994 -20.021 6.818) 21.732 2.111 ( 2.184 -18.971 8.971) 21.099 2.451 ( -4.286 -14.865 -12.051) 19.610 3.073 ( -2.131 -15.837 -8.657) 18.174 3.391 ( -0.091 -1.998 6.283) 6.594 3.642 ( -0.587 -7.985 8.978) 12.030 3.986 ( -4.167 -4.558 -6.332) 8.845 4.129 ( -1.699 -15.180 1.737) 15.373 4.342 ( 0.648 -8.881 -5.605) 10.522 4.412 ( 5.047 -8.980 4.623) 11.291 4.570 ( 3.016 -3.964 -3.728) 6.221 4.847 ( 1.556 -9.020 5.834) 10.854 5.015 ( 1.940 3.115 8.716) 9.457 5.105 ( -3.644 -7.153 1.143) 8.109 5.327 ( -0.803 -4.175 -7.455) 8.582 5.440 ( 1.823 -3.107 -1.556) 3.924 5.521 ( 0.278 0.219 -1.594) 1.633 5.785 ( -2.169 0.163 -2.079) 3.009 5.879 ( -0.396 0.050 -0.988) 1.065 5.952 ( 1.211 -3.818 -1.915) 4.440 6.086 ( -4.007 2.123 -0.580) 4.572 6.319 ( -0.484 -0.113 0.676) 0.839 6.374 ( 0.467 5.101 0.165) 5.125 6.443 ( -1.088 4.842 -0.474) 4.986 6.639 ( -0.930 0.086 -3.041) 3.181 6.898 ( 6.238 12.251 3.139) 14.102 7.121 ( -0.993 12.132 0.382) 12.179 7.486 ( 0.204 -5.834 -0.685) 5.877 7.728 ( 2.274 -1.870 2.152) 3.647 7.905 ( -1.890 2.019 -0.726) 2.860 12.273 ( 0.627 -9.879 0.454) 9.909 13.522 ( 0.207 1.124 0.464) 1.234 15.074 ( 1.174 -2.884 9.006) 9.529 15.679 ( -4.742 3.920 -8.452) 10.455 16.238 ( 3.257 14.098 1.274) 14.526 17.298 ( -1.715 12.174 -1.597) 12.397 ======================= Grid point 210 (63/324) ======================= q-point: ( 0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -5.815 -16.476 3.906) 17.903 2.494 ( 1.615 -18.734 2.847) 19.018 2.689 ( -2.148 -14.284 -7.323) 16.195 3.243 ( -2.666 -3.537 -2.602) 5.137 3.377 ( -0.963 -0.220 1.405) 1.718 3.790 ( -3.224 -5.591 1.143) 6.554 4.049 ( -2.191 -6.062 -3.827) 7.497 4.401 ( -0.515 -13.000 3.108) 13.377 4.486 ( 2.108 -2.317 1.028) 3.297 4.501 ( 1.339 -2.805 -2.758) 4.155 4.712 ( 6.276 -2.913 6.423) 9.441 4.905 ( 0.416 -0.737 2.076) 2.242 4.943 ( 0.195 6.190 0.873) 6.254 5.210 ( -4.815 -4.809 1.088) 6.892 5.440 ( 1.430 -6.779 0.735) 6.967 5.455 ( 7.174 0.638 2.115) 7.506 5.547 ( -0.939 -1.188 -1.410) 2.069 5.753 ( -1.498 0.440 -8.467) 8.610 5.886 ( -2.298 -1.410 0.863) 2.831 6.009 ( 1.016 -2.024 -1.419) 2.673 6.056 ( -0.312 0.079 0.692) 0.763 6.218 ( -2.363 6.320 -0.459) 6.763 6.339 ( -1.212 1.990 -0.498) 2.383 6.404 ( -2.321 -1.126 -3.434) 4.295 6.597 ( 4.480 6.515 6.337) 10.133 6.784 ( 0.899 0.150 -4.172) 4.270 6.919 ( -0.217 8.146 -0.544) 8.167 7.606 ( -0.444 -6.686 -0.462) 6.716 7.798 ( 0.925 -3.811 2.624) 4.719 7.881 ( -0.377 0.210 -0.725) 0.844 12.383 ( -0.514 -2.355 -0.034) 2.411 13.506 ( 0.339 0.748 0.226) 0.851 15.077 ( 2.511 4.765 10.606) 11.895 15.630 ( -5.552 -2.612 -8.242) 10.276 16.010 ( 1.929 11.229 0.782) 11.421 17.086 ( -0.846 9.334 -0.689) 9.397 ======================= Grid point 211 (64/324) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -4.576 -10.536 0.870) 11.520 2.826 ( 1.565 -14.298 -0.311) 14.386 2.912 ( -0.578 -10.902 -2.500) 11.200 3.156 ( -1.618 7.703 1.941) 8.107 3.473 ( -1.187 -7.808 -3.600) 8.679 3.850 ( -3.697 -3.509 -0.954) 5.186 4.148 ( 0.255 -3.955 -0.461) 3.990 4.418 ( 1.515 5.641 2.439) 6.330 4.541 ( 0.000 6.302 0.446) 6.318 4.620 ( 0.655 -7.648 3.385) 8.390 4.682 ( 1.932 0.073 -0.249) 1.949 4.808 ( 1.926 6.051 -0.024) 6.350 5.013 ( 0.882 -4.875 -0.167) 4.957 5.257 ( -2.521 -1.482 3.052) 4.227 5.475 ( 1.693 -1.199 2.709) 3.412 5.534 ( 0.421 1.378 0.849) 1.673 5.595 ( 2.850 -5.791 0.257) 6.459 5.711 ( -1.870 0.711 -8.103) 8.346 5.910 ( -1.051 -1.464 -0.956) 2.040 6.025 ( 1.721 0.188 -1.568) 2.336 6.071 ( -0.897 -1.020 2.106) 2.506 6.111 ( -0.795 3.611 -0.722) 3.768 6.293 ( -1.993 1.541 0.490) 2.566 6.391 ( -2.677 0.217 -4.513) 5.251 6.528 ( 4.310 3.016 6.609) 8.447 6.750 ( 1.555 5.401 1.663) 5.861 6.882 ( -1.044 -4.642 -5.070) 6.953 7.718 ( -1.783 -5.500 -0.644) 5.817 7.841 ( 0.532 0.536 1.313) 1.514 7.909 ( 0.817 -2.752 0.540) 2.921 12.391 ( -1.189 0.188 0.562) 1.329 13.497 ( 0.307 0.458 -0.076) 0.556 15.008 ( 1.002 5.334 4.972) 7.361 15.654 ( -2.916 -3.232 -3.360) 5.499 15.853 ( 0.527 5.820 1.170) 5.960 16.940 ( -0.197 5.517 -0.215) 5.525 ======================= Grid point 212 (65/324) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 0.149 0.366 -0.436) 0.588 2.963 ( 1.155 1.943 -0.377) 2.292 3.032 ( -0.824 -0.362 2.316) 2.484 3.084 ( -0.914 -3.507 -2.189) 4.234 3.588 ( -0.408 -4.719 -1.595) 4.998 3.896 ( 0.023 -1.655 1.118) 1.998 4.128 ( 0.292 4.975 0.654) 5.027 4.336 ( -0.674 5.651 -2.785) 6.335 4.438 ( 0.813 -2.239 0.685) 2.479 4.652 ( 2.126 5.024 1.136) 5.572 4.721 ( -0.585 -2.184 -0.648) 2.352 4.783 ( -0.031 -1.295 0.395) 1.354 5.050 ( -0.029 1.329 0.077) 1.331 5.276 ( 3.248 -0.117 4.619) 5.648 5.476 ( -1.284 2.221 -0.767) 2.677 5.529 ( 0.467 -0.432 2.529) 2.608 5.645 ( -4.160 1.427 -2.534) 5.076 5.719 ( -1.723 -5.922 -4.084) 7.397 5.912 ( 1.561 0.850 -2.300) 2.906 6.037 ( 2.063 -1.342 0.082) 2.462 6.076 ( 0.583 -0.263 0.222) 0.677 6.091 ( -0.799 -0.554 1.334) 1.650 6.268 ( -3.196 0.118 0.885) 3.318 6.365 ( -1.244 0.374 -0.944) 1.606 6.563 ( 2.922 -2.492 2.925) 4.827 6.669 ( 2.777 4.058 1.102) 5.039 6.942 ( -1.465 -2.609 -2.809) 4.104 7.765 ( -0.594 0.380 -0.628) 0.944 7.846 ( -0.544 -1.521 0.093) 1.618 7.934 ( 0.323 1.318 1.453) 1.988 12.393 ( -0.925 -0.798 1.419) 1.873 13.491 ( 0.152 0.193 -0.288) 0.379 14.918 ( -0.167 4.924 0.447) 4.947 15.695 ( -0.401 -2.353 -0.534) 2.446 15.812 ( -0.394 -0.973 1.909) 2.179 16.885 ( 0.094 -0.045 -0.161) 0.192 ======================= Grid point 213 (66/324) ======================= q-point: (-0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 4.620 13.610 -0.321) 14.377 2.874 ( -2.381 15.994 1.286) 16.222 2.959 ( 1.980 -1.175 -1.336) 2.662 3.107 ( 0.357 1.673 0.717) 1.855 3.615 ( 1.582 2.299 0.722) 2.883 3.873 ( 2.691 5.928 0.202) 6.513 4.086 ( -1.325 -1.971 -4.121) 4.756 4.269 ( 0.289 1.462 1.775) 2.317 4.515 ( 1.958 -1.899 -2.549) 3.734 4.583 ( 2.126 1.559 0.690) 2.725 4.736 ( -3.651 0.217 1.975) 4.156 4.765 ( -1.925 1.365 -0.967) 2.551 4.972 ( -0.816 6.165 -0.784) 6.268 5.294 ( 3.270 2.648 2.522) 4.905 5.437 ( -0.739 -0.090 0.330) 0.815 5.525 ( -1.795 1.196 1.357) 2.548 5.594 ( -3.260 0.637 -0.172) 3.327 5.813 ( -3.437 -5.871 -2.342) 7.195 5.896 ( 4.451 1.265 -1.819) 4.972 6.062 ( -1.358 2.196 0.170) 2.587 6.101 ( 0.715 -2.223 2.083) 3.129 6.124 ( 2.362 -3.908 -1.269) 4.739 6.276 ( -3.064 -2.563 0.630) 4.044 6.364 ( -1.267 -1.270 -0.637) 1.904 6.559 ( 2.968 5.075 1.793) 6.146 6.705 ( 1.751 -5.972 -0.020) 6.224 6.957 ( -1.254 -0.838 -0.637) 1.638 7.719 ( 1.493 4.101 0.369) 4.380 7.844 ( -2.377 3.508 -3.025) 5.206 7.894 ( -0.194 0.767 3.342) 3.434 12.413 ( -0.278 -0.641 1.297) 1.473 13.490 ( -0.029 -0.170 -0.283) 0.331 14.837 ( -0.586 2.893 -1.092) 3.148 15.737 ( 1.796 -1.711 -0.342) 2.504 15.884 ( -1.161 -6.230 2.315) 6.747 16.947 ( 0.190 -6.316 0.012) 6.319 ======================= Grid point 214 (67/324) ======================= q-point: (-0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 5.770 19.320 0.229) 20.164 2.456 ( -2.193 25.474 1.448) 25.609 3.018 ( 4.850 3.975 9.145) 11.089 3.023 ( -0.088 0.438 -10.083) 10.093 3.525 ( 3.055 8.506 0.887) 9.081 3.698 ( 2.641 13.593 -0.582) 13.859 4.119 ( -2.025 -1.755 -3.686) 4.557 4.228 ( 1.142 4.239 0.313) 4.402 4.437 ( 1.217 9.666 -1.434) 9.847 4.612 ( 1.794 -0.890 2.399) 3.125 4.715 ( -2.233 0.096 -4.265) 4.816 4.756 ( -4.504 -1.228 4.059) 6.186 4.825 ( -0.676 7.516 -0.045) 7.547 5.231 ( 1.294 4.704 0.747) 4.935 5.421 ( -7.735 0.041 0.606) 7.759 5.543 ( 5.062 -1.921 2.819) 6.105 5.586 ( -1.327 -0.332 0.430) 1.434 5.882 ( -2.489 -2.111 0.195) 3.270 5.907 ( 4.890 -1.369 -3.690) 6.278 5.956 ( -0.280 8.276 0.445) 8.292 6.149 ( -1.431 -2.059 2.570) 3.591 6.215 ( 2.867 -3.896 -2.070) 5.262 6.326 ( -0.196 -3.091 -0.886) 3.222 6.411 ( -0.262 -2.776 -0.543) 2.840 6.487 ( -1.394 -0.057 -0.369) 1.443 6.825 ( 0.507 -5.048 -0.254) 5.080 6.993 ( -0.221 -4.142 1.169) 4.309 7.635 ( 1.123 5.307 0.525) 5.449 7.722 ( -1.489 6.074 -0.812) 6.306 7.903 ( -0.967 -0.785 0.822) 1.492 12.392 ( 0.106 3.885 0.244) 3.894 13.497 ( -0.146 -0.671 -0.070) 0.691 14.816 ( -0.425 -1.441 -0.209) 1.517 15.760 ( 4.916 0.981 -1.802) 5.327 16.047 ( -2.945 -11.221 2.065) 11.784 17.115 ( 0.286 -11.064 0.296) 11.072 ======================= Grid point 215 (68/324) ======================= q-point: (-0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 4.856 21.871 1.482) 22.453 1.949 ( -1.208 27.392 3.065) 27.590 2.842 ( 0.057 10.402 -3.987) 11.140 3.099 ( 5.867 -2.421 2.420) 6.792 3.251 ( 1.243 24.250 0.045) 24.282 3.460 ( 2.339 10.270 0.081) 10.533 4.049 ( -1.073 9.189 -2.798) 9.665 4.121 ( 1.197 8.253 -2.166) 8.616 4.211 ( -0.154 11.438 0.291) 11.443 4.616 ( -2.228 3.719 -8.287) 9.353 4.625 ( 2.826 6.093 6.091) 9.067 4.681 ( 0.213 6.056 0.425) 6.075 4.825 ( -4.475 -4.250 5.476) 8.251 5.146 ( -0.463 4.159 1.387) 4.408 5.422 ( -4.859 -3.219 0.429) 5.844 5.574 ( -2.174 1.021 -3.564) 4.298 5.600 ( 5.132 1.109 4.584) 6.970 5.770 ( 1.806 9.192 2.001) 9.579 5.880 ( -2.714 0.895 -2.299) 3.668 5.942 ( 3.362 -0.017 -3.217) 4.653 6.193 ( -0.260 -2.908 2.866) 4.091 6.254 ( 3.310 0.495 -3.184) 4.619 6.364 ( -1.057 -0.775 -0.167) 1.321 6.448 ( 0.658 -5.385 -0.374) 5.438 6.614 ( -1.602 -10.102 -1.199) 10.298 6.876 ( -1.561 -1.360 0.258) 2.086 7.122 ( 0.531 -8.403 0.768) 8.455 7.548 ( 0.202 4.007 1.491) 4.280 7.636 ( -1.987 1.851 -1.019) 2.900 7.932 ( 0.222 -3.005 0.277) 3.026 12.248 ( 0.244 11.623 -0.356) 11.631 13.515 ( -0.172 -1.220 0.237) 1.255 14.890 ( -0.117 -6.064 1.372) 6.218 15.722 ( 9.744 6.010 -5.079) 12.525 16.281 ( -5.646 -14.857 2.321) 16.062 17.354 ( 0.253 -13.776 0.196) 13.779 ======================= Grid point 216 (69/324) ======================= q-point: (-0.21 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 2.531 22.980 4.370) 23.528 1.453 ( 0.738 26.182 7.313) 27.194 2.609 ( -0.376 18.065 -5.939) 19.020 2.685 ( -1.804 28.452 -1.985) 28.578 3.176 ( 5.338 -1.187 5.388) 7.677 3.294 ( 0.963 8.580 -0.351) 8.641 3.748 ( 1.260 20.452 -0.150) 20.492 3.892 ( 1.398 15.425 -5.320) 16.376 4.031 ( 1.917 11.433 6.790) 13.435 4.434 ( 0.229 10.661 1.188) 10.730 4.496 ( -1.655 4.385 -11.092) 12.042 4.653 ( 1.352 1.361 2.084) 2.833 4.895 ( -3.909 -3.352 5.572) 7.587 5.088 ( -2.170 1.934 0.862) 3.032 5.419 ( -0.627 5.591 -5.156) 7.631 5.517 ( -0.218 3.758 2.458) 4.496 5.560 ( 0.229 0.612 2.935) 3.006 5.701 ( 3.429 1.585 -1.698) 4.141 5.821 ( -3.532 2.839 -2.444) 5.148 5.929 ( 2.020 1.289 1.007) 2.599 6.234 ( 3.323 0.847 -4.137) 5.373 6.274 ( 0.395 -3.674 -0.164) 3.699 6.394 ( -0.556 -3.240 2.822) 4.333 6.582 ( 0.381 -7.937 -0.793) 7.986 6.739 ( 0.782 -2.421 -0.143) 2.548 6.962 ( -2.972 -10.237 1.365) 10.747 7.248 ( 0.162 -2.195 0.072) 2.203 7.541 ( 1.893 -3.205 3.341) 5.001 7.595 ( -4.541 0.731 -1.781) 4.933 8.043 ( 1.216 -8.417 -0.679) 8.532 11.961 ( 0.365 18.324 0.029) 18.327 13.542 ( -0.172 -1.588 0.498) 1.673 15.026 ( -1.294 -7.153 -1.399) 7.403 15.585 ( 19.825 13.425 -7.961) 25.231 16.560 ( -9.914 -17.516 4.476) 20.619 17.626 ( -0.076 -14.675 -0.273) 14.678 ======================= Grid point 217 (70/324) ======================= q-point: (-0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 1.794 21.366 9.459) 23.435 1.024 ( 1.636 22.414 16.835) 28.080 1.893 ( -2.062 43.705 3.677) 43.908 2.428 ( -2.695 7.686 -13.662) 15.905 3.035 ( -4.321 15.337 -13.063) 20.605 3.236 ( 4.556 7.383 8.368) 12.053 3.404 ( 6.462 12.183 10.206) 17.157 3.542 ( 2.043 19.019 5.215) 19.827 3.862 ( 2.916 8.208 3.333) 9.326 4.282 ( -0.473 6.896 -0.211) 6.915 4.383 ( 0.097 3.761 -12.776) 13.319 4.633 ( -1.539 -0.184 -4.851) 5.092 4.916 ( -2.170 2.759 2.601) 4.369 5.045 ( -4.153 1.306 -2.700) 5.123 5.228 ( -1.927 9.160 -4.520) 10.394 5.451 ( 2.808 1.865 6.176) 7.036 5.624 ( 3.672 -1.840 0.473) 4.135 5.664 ( -3.828 1.775 -4.142) 5.913 5.748 ( -1.060 2.182 -0.887) 2.583 5.941 ( 2.458 -0.442 5.206) 5.774 6.233 ( 2.601 0.065 -0.482) 2.646 6.317 ( -0.398 -2.372 -7.041) 7.441 6.506 ( 1.511 -6.271 7.024) 9.537 6.730 ( -0.910 -7.455 -1.411) 7.641 6.781 ( 0.045 -3.241 1.390) 3.526 7.160 ( 0.266 -6.650 1.036) 6.736 7.229 ( -0.557 0.038 2.645) 2.703 7.505 ( -2.508 4.171 2.085) 5.295 7.725 ( 0.124 -10.627 1.172) 10.693 8.225 ( 0.848 -9.819 -2.137) 10.085 11.592 ( 0.348 20.016 0.438) 20.024 13.572 ( -0.243 -1.517 0.602) 1.650 14.926 ( -2.822 19.520 -41.566) 46.007 15.511 ( 37.225 3.156 16.507) 40.843 16.883 ( -17.150 -21.840 10.613) 29.728 17.889 ( -0.626 -13.012 -0.569) 13.039 ======================= Grid point 218 (71/324) ======================= q-point: (-0.07 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -0.387 18.628 11.185) 21.731 0.765 ( 2.105 15.708 28.793) 32.866 1.074 ( 2.790 40.121 18.350) 44.206 2.257 ( -4.800 3.976 -17.988) 19.038 2.601 ( -4.935 19.299 -16.652) 25.964 3.055 ( 4.433 10.553 2.877) 11.802 3.235 ( 1.407 11.600 13.726) 18.026 3.478 ( 5.799 -2.289 13.895) 15.229 3.774 ( 3.641 3.628 3.568) 6.257 4.148 ( -0.711 6.273 -0.876) 6.374 4.250 ( 2.416 9.448 -15.453) 18.273 4.623 ( -8.127 -1.780 -12.555) 15.062 4.726 ( -3.382 10.185 -9.336) 14.224 4.998 ( -6.082 0.003 -2.666) 6.640 5.151 ( -1.059 0.009 2.375) 2.600 5.494 ( 3.162 -0.632 5.221) 6.137 5.562 ( -4.003 2.016 -3.526) 5.703 5.643 ( 2.763 1.915 1.544) 3.700 5.756 ( 0.239 -2.303 -1.532) 2.776 5.984 ( 3.294 -0.790 5.742) 6.667 6.252 ( 0.986 -1.342 1.625) 2.326 6.345 ( 5.028 -1.850 -6.487) 8.414 6.668 ( 3.311 -7.585 9.346) 12.484 6.816 ( -3.521 -4.866 0.654) 6.042 6.904 ( 1.202 -7.261 2.272) 7.703 7.120 ( 0.258 4.542 0.327) 4.561 7.342 ( 7.215 -2.382 3.589) 8.403 7.472 ( -9.417 -4.525 8.280) 13.331 7.928 ( 3.159 -10.253 4.165) 11.508 8.383 ( 0.046 -7.115 -2.103) 7.419 11.262 ( 0.100 13.772 0.145) 13.773 13.595 ( 0.052 -0.371 0.042) 0.377 13.885 ( 1.227 80.299 -78.805) 112.515 15.838 ( 54.963 -6.936 21.793) 59.531 17.343 ( -27.032 -35.456 18.757) 48.371 18.087 ( -1.195 -8.004 -0.282) 8.097 ======================= Grid point 220 (72/324) ======================= q-point: ( 0.07 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 7.747 0.000 19.534) 21.014 0.555 ( 13.974 0.000 16.494) 21.617 1.340 ( 12.329 0.000 46.171) 47.788 1.952 ( -8.168 -0.000 -22.659) 24.086 2.191 ( -4.308 -0.000 -17.087) 17.621 2.962 ( -2.144 -0.000 -0.321) 2.168 3.270 ( 3.956 0.000 16.103) 16.582 3.678 ( 0.748 0.000 12.581) 12.603 3.854 ( 4.107 0.000 9.064) 9.951 3.973 ( -0.894 -0.000 -5.379) 5.453 4.081 ( 0.014 0.000 -0.017) 0.022 4.366 ( -7.118 -0.000 -17.534) 18.924 4.519 ( -1.896 -0.000 -9.989) 10.167 4.928 ( -3.119 -0.000 -1.044) 3.289 5.165 ( 1.544 0.000 -0.810) 1.744 5.451 ( -0.421 -0.000 -0.135) 0.442 5.575 ( -3.726 -0.000 0.260) 3.735 5.600 ( 0.397 0.000 -0.133) 0.419 5.769 ( -0.397 -0.000 -4.250) 4.268 6.030 ( -2.114 -0.000 -1.733) 2.733 6.252 ( -0.638 -0.000 -3.877) 3.929 6.467 ( 9.227 0.000 -4.403) 10.224 6.739 ( -3.646 -0.000 2.092) 4.203 6.991 ( -1.426 -0.000 0.035) 1.426 7.007 ( 1.962 0.000 0.392) 2.001 7.066 ( 1.426 0.000 0.047) 1.426 7.432 ( -12.206 -0.000 11.141) 16.526 7.672 ( 19.364 0.000 6.022) 20.278 8.103 ( -5.481 -0.000 -10.392) 11.749 8.590 ( 3.204 0.000 3.258) 4.570 11.121 ( 0.029 0.000 -0.334) 0.335 12.147 ( 0.075 0.000 0.246) 0.257 13.605 ( 0.100 0.000 0.492) 0.502 16.657 ( 40.718 0.000 -16.384) 43.891 17.488 ( -35.054 -0.000 16.320) 38.667 18.143 ( -3.260 -0.000 -0.049) 3.261 ======================= Grid point 221 (73/324) ======================= q-point: ( 0.14 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 1.491 -13.155 16.355) 21.042 1.080 ( 9.960 -27.279 14.924) 32.651 1.566 ( 8.857 -11.137 27.742) 31.179 1.904 ( -6.184 -4.908 -18.889) 20.473 2.365 ( -2.604 -21.532 -11.558) 24.577 3.073 ( -2.981 -12.539 -0.202) 12.890 3.458 ( 4.056 -12.237 16.187) 20.694 3.674 ( -0.833 2.548 11.348) 11.660 3.916 ( 3.571 -2.698 7.856) 9.042 4.002 ( -4.145 -2.662 -13.134) 14.028 4.177 ( -0.341 -8.215 -1.798) 8.416 4.399 ( -6.114 -9.684 -13.104) 17.404 4.504 ( 0.324 -3.972 -12.725) 13.335 4.916 ( -3.098 -0.662 1.467) 3.491 5.177 ( 2.382 -0.813 -0.917) 2.679 5.455 ( -3.337 3.621 0.706) 4.974 5.537 ( -0.223 -4.398 1.095) 4.537 5.684 ( 0.792 -4.981 0.871) 5.118 5.725 ( -1.352 2.533 -5.254) 5.988 5.993 ( -3.471 1.495 -4.350) 5.763 6.214 ( -2.247 1.974 -2.954) 4.204 6.476 ( 9.542 2.269 -2.239) 10.060 6.701 ( -3.347 3.048 3.658) 5.820 6.845 ( -0.514 11.612 5.594) 12.899 6.909 ( -2.631 8.093 1.245) 8.601 7.140 ( 0.963 -4.913 -0.022) 5.006 7.410 ( -2.921 0.780 8.136) 8.680 7.687 ( 16.637 7.114 7.331) 19.523 7.941 ( -3.552 9.307 -4.317) 10.857 8.384 ( 1.485 13.701 1.262) 13.839 11.269 ( 0.358 -14.733 0.235) 14.739 13.106 ( -14.242 -71.155 -25.523) 76.924 13.601 ( 0.704 0.386 0.049) 0.804 16.650 ( 31.326 14.731 -14.595) 37.567 17.113 ( -22.134 21.391 25.654) 40.070 18.037 ( -3.630 8.679 -0.803) 9.442 ======================= Grid point 222 (74/324) ======================= q-point: ( 0.21 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -3.166 -19.198 12.454) 23.102 1.519 ( 5.331 -12.924 21.551) 25.688 1.933 ( -6.738 -13.604 -16.972) 22.771 2.122 ( 6.956 -27.870 3.544) 28.942 2.791 ( -0.509 -24.221 -3.464) 24.472 3.361 ( -2.288 -17.549 1.123) 17.733 3.647 ( -2.580 0.125 8.517) 8.900 3.809 ( 3.642 -12.781 13.597) 19.013 4.002 ( -5.272 -5.144 -15.405) 17.076 4.055 ( 2.586 -10.404 8.838) 13.894 4.289 ( -0.232 -4.685 -2.065) 5.125 4.472 ( 2.157 -4.394 -8.786) 10.057 4.693 ( -4.011 -17.144 -14.969) 23.110 4.948 ( -2.922 -3.375 5.399) 7.005 5.220 ( 3.050 -2.626 -0.458) 4.051 5.360 ( -2.880 4.160 0.775) 5.119 5.627 ( -1.199 0.370 -0.045) 1.256 5.675 ( -0.779 -3.520 -2.741) 4.529 5.787 ( 1.790 -4.939 0.767) 5.309 5.927 ( -3.636 2.016 -5.848) 7.176 6.151 ( -4.924 2.058 -2.802) 6.028 6.453 ( 9.145 4.870 0.553) 10.375 6.596 ( -3.376 7.630 6.264) 10.434 6.685 ( -1.300 4.646 2.844) 5.600 6.743 ( -2.029 8.592 -0.428) 8.839 7.236 ( 0.614 -4.764 -0.347) 4.816 7.366 ( 4.194 7.334 5.190) 9.915 7.637 ( 7.847 7.618 6.182) 12.563 7.744 ( -0.439 7.205 -2.510) 7.642 8.153 ( -1.507 10.820 -2.417) 11.189 11.628 ( 0.988 -21.124 1.051) 21.173 13.572 ( -0.168 1.090 0.861) 1.399 14.134 ( -12.704 -48.893 -19.180) 54.035 16.312 ( 9.105 25.282 0.028) 26.872 16.795 ( 1.137 14.535 10.054) 17.710 17.804 ( -3.620 13.132 -1.730) 13.731 ======================= Grid point 223 (75/324) ======================= q-point: ( 0.29 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -5.947 -20.528 9.672) 23.459 1.836 ( 2.654 -14.731 12.938) 19.785 2.120 ( -3.705 -14.114 -11.057) 18.308 2.666 ( 1.223 -24.602 -5.823) 25.311 3.202 ( 0.733 -18.128 3.142) 18.413 3.591 ( -1.521 -2.694 9.975) 10.443 3.759 ( -4.184 -15.307 -2.063) 16.002 3.945 ( -3.046 -3.003 1.113) 4.420 4.104 ( -3.513 -11.384 -9.416) 15.185 4.310 ( 6.823 -6.808 2.959) 10.083 4.467 ( 2.160 -11.121 3.295) 11.798 4.596 ( 3.703 -13.184 -2.500) 13.921 4.933 ( -3.564 -11.611 -5.165) 13.198 5.040 ( -1.026 -5.259 5.937) 7.997 5.257 ( 0.755 1.792 -1.074) 2.222 5.332 ( -0.180 -4.790 -2.224) 5.284 5.574 ( 0.966 2.605 -1.499) 3.157 5.755 ( -2.737 -2.947 -0.449) 4.047 5.870 ( -1.349 0.445 -4.908) 5.110 5.880 ( 0.795 -3.836 -0.092) 3.919 6.082 ( -6.575 1.155 -2.743) 7.217 6.382 ( 5.248 5.751 3.636) 8.593 6.479 ( -0.907 5.223 2.447) 5.839 6.566 ( -2.525 8.530 -0.834) 8.935 6.630 ( -0.852 1.541 -1.377) 2.235 7.192 ( 5.389 12.598 2.674) 13.960 7.308 ( 0.669 2.151 0.242) 2.266 7.460 ( 2.114 7.828 2.473) 8.477 7.722 ( 3.112 -0.831 0.521) 3.263 7.966 ( -3.089 6.629 -1.880) 7.551 12.016 ( 1.193 -17.842 0.929) 17.906 13.549 ( 0.221 1.437 0.678) 1.604 14.780 ( -6.834 -28.426 -5.169) 29.689 15.891 ( -0.229 20.224 -0.205) 20.226 16.549 ( 6.049 15.706 2.876) 17.074 17.527 ( -2.892 13.529 -1.734) 13.942 ======================= Grid point 224 (76/324) ======================= q-point: ( 0.36 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -7.848 -19.326 6.350) 21.805 2.174 ( 1.897 -17.246 6.027) 18.367 2.367 ( -1.828 -15.667 -6.983) 17.250 3.012 ( -1.789 -15.045 -7.153) 16.755 3.415 ( -1.147 -1.822 4.569) 5.051 3.669 ( -2.692 -5.811 6.236) 8.939 3.910 ( -4.782 -5.283 -5.679) 9.112 4.122 ( -1.246 -15.791 1.107) 15.878 4.313 ( -1.122 -12.180 -3.786) 12.805 4.476 ( 3.812 -6.054 2.636) 7.625 4.596 ( 7.266 -6.442 -4.401) 10.662 4.895 ( 1.805 -8.062 6.326) 10.406 5.041 ( -4.273 -1.165 3.500) 5.645 5.117 ( 3.533 -0.427 5.708) 6.726 5.287 ( -0.645 -8.372 -4.598) 9.573 5.444 ( 0.812 -6.028 -1.668) 6.307 5.541 ( 3.753 1.820 0.426) 4.193 5.737 ( -3.399 0.945 -4.985) 6.107 5.863 ( -2.696 -0.129 -0.470) 2.739 5.947 ( -0.298 -3.973 -1.373) 4.214 6.055 ( -1.591 -0.511 -0.653) 1.794 6.319 ( -1.012 4.457 1.748) 4.893 6.376 ( 0.338 4.971 -0.658) 5.026 6.427 ( -1.663 4.265 -0.327) 4.589 6.611 ( -1.213 -1.089 -3.454) 3.819 6.971 ( 6.205 13.456 1.314) 14.876 7.119 ( -0.450 12.400 1.558) 12.505 7.493 ( 1.669 -4.859 0.287) 5.146 7.758 ( 2.165 -1.674 1.402) 3.075 7.879 ( -2.911 1.039 -0.959) 3.236 12.280 ( 0.543 -9.222 0.179) 9.239 13.527 ( 0.320 1.145 0.433) 1.265 15.125 ( -0.011 -9.099 7.643) 11.883 15.586 ( -5.554 8.122 -7.837) 12.580 16.280 ( 4.414 15.445 1.070) 16.099 17.275 ( -1.784 11.497 -1.027) 11.680 ======================= Grid point 225 (77/324) ======================= q-point: ( 0.43 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -8.003 -16.474 2.769) 18.523 2.527 ( 2.315 -17.489 2.632) 17.837 2.641 ( -1.130 -15.354 -4.669) 16.088 3.208 ( -1.647 -7.082 -2.187) 7.593 3.369 ( -2.476 2.863 1.045) 3.926 3.751 ( -4.896 -4.121 -0.961) 6.471 4.021 ( -1.053 -8.079 -1.110) 8.223 4.411 ( 0.366 -13.670 1.229) 13.730 4.494 ( 1.346 -7.591 -2.205) 8.018 4.518 ( 1.842 1.951 1.522) 3.085 4.800 ( 5.952 -5.688 3.988) 9.148 4.898 ( -1.780 3.352 -3.902) 5.444 4.955 ( 1.523 7.035 3.425) 7.971 5.195 ( -1.493 -4.414 3.805) 6.016 5.452 ( 0.080 -6.000 2.749) 6.600 5.523 ( 2.237 -2.155 0.140) 3.109 5.548 ( 3.867 -0.666 0.412) 3.946 5.696 ( -1.139 0.577 -7.585) 7.691 5.864 ( -3.223 -1.791 1.304) 3.911 6.008 ( 0.744 -2.418 -1.913) 3.172 6.063 ( 0.801 -0.341 1.059) 1.370 6.195 ( -2.322 5.969 0.094) 6.405 6.318 ( -2.021 1.947 -1.525) 3.194 6.365 ( -2.258 1.533 -2.637) 3.795 6.654 ( 1.347 -1.936 3.260) 4.024 6.780 ( 3.369 6.878 -3.233) 8.313 6.923 ( 0.568 8.384 1.162) 8.483 7.599 ( -0.316 -5.785 -0.614) 5.826 7.824 ( 1.127 -3.349 3.185) 4.757 7.868 ( -1.010 -0.941 -1.668) 2.165 12.378 ( -0.541 -1.915 0.053) 1.991 13.511 ( 0.348 0.816 0.125) 0.896 15.151 ( 1.971 6.770 8.762) 11.247 15.534 ( -5.611 -5.697 -7.629) 11.052 16.033 ( 2.003 12.151 0.920) 12.349 17.075 ( -0.770 8.809 -0.346) 8.849 ======================= Grid point 226 (78/324) ======================= q-point: ( 0.50 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -5.092 -11.967 0.399) 13.011 2.842 ( 1.989 -13.455 0.159) 13.602 2.894 ( -0.580 -12.366 -1.782) 12.507 3.151 ( -1.365 8.429 1.397) 8.652 3.443 ( -1.709 -8.635 -2.318) 9.103 3.811 ( -3.680 -5.087 -0.588) 6.306 4.151 ( 0.427 -4.751 0.140) 4.772 4.436 ( 1.137 5.852 0.016) 5.962 4.543 ( -0.019 7.062 0.092) 7.063 4.642 ( 0.535 -7.635 2.014) 7.914 4.691 ( 1.200 1.771 -1.789) 2.788 4.841 ( 4.157 6.586 1.938) 8.025 5.013 ( -0.339 -5.830 -0.525) 5.863 5.272 ( 0.664 -2.838 4.951) 5.745 5.492 ( -0.030 0.537 0.760) 0.931 5.544 ( 0.216 0.303 2.512) 2.540 5.612 ( 0.305 -3.396 -0.634) 3.468 5.652 ( -0.826 1.428 -8.033) 8.200 5.896 ( -1.578 -1.789 0.345) 2.410 6.035 ( 1.633 -0.581 -0.476) 1.797 6.077 ( 0.204 -0.262 1.737) 1.769 6.106 ( 0.159 2.547 -0.234) 2.563 6.273 ( -2.777 1.344 0.242) 3.095 6.335 ( -2.959 -0.841 -4.738) 5.649 6.612 ( 5.225 5.033 5.937) 9.375 6.770 ( 0.891 2.731 0.459) 2.909 6.848 ( -0.704 -3.444 -3.366) 4.867 7.696 ( -1.717 -5.036 -1.094) 5.432 7.851 ( 0.078 0.519 0.336) 0.623 7.921 ( 0.814 -3.064 1.399) 3.465 12.385 ( -1.117 0.051 0.850) 1.404 13.499 ( 0.283 0.567 -0.164) 0.655 15.034 ( 0.173 6.873 2.577) 7.342 15.617 ( -1.935 -5.328 -1.969) 6.001 15.863 ( 0.103 6.272 1.431) 6.434 16.938 ( -0.100 5.291 -0.122) 5.293 ======================= Grid point 227 (79/324) ======================= q-point: (-0.43 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 0.151 -2.364 -0.441) 2.410 2.971 ( 0.744 3.683 0.029) 3.758 3.030 ( -1.279 0.599 0.007) 1.412 3.069 ( -0.259 -6.085 -0.445) 6.107 3.574 ( -0.736 -5.567 -1.113) 5.725 3.900 ( -0.278 -4.052 0.730) 4.126 4.133 ( 0.211 6.143 0.223) 6.150 4.321 ( -0.089 5.547 -1.311) 5.700 4.447 ( 0.606 -2.190 0.231) 2.284 4.668 ( -0.300 3.350 0.724) 3.441 4.728 ( 2.765 -0.229 -0.675) 2.855 4.792 ( 1.907 1.247 0.342) 2.304 5.045 ( -1.775 1.463 1.124) 2.560 5.336 ( 3.524 -0.858 3.794) 5.249 5.454 ( -1.905 2.328 -0.986) 3.166 5.550 ( 0.901 0.759 3.640) 3.826 5.593 ( -2.432 1.181 -3.974) 4.807 5.675 ( -3.350 -5.004 -3.938) 7.195 5.912 ( 0.091 -0.635 -0.567) 0.856 6.058 ( 2.159 -0.999 0.494) 2.430 6.082 ( -1.047 -0.191 1.588) 1.911 6.095 ( 1.731 -0.499 -0.911) 2.019 6.245 ( -2.721 0.221 1.152) 2.963 6.335 ( -2.099 -1.138 -2.783) 3.667 6.617 ( 3.677 -1.684 3.442) 5.311 6.695 ( 2.069 4.702 0.145) 5.138 6.916 ( -1.275 -3.040 -1.449) 3.601 7.758 ( -0.340 -1.816 -0.317) 1.874 7.832 ( -0.961 0.778 -1.948) 2.308 7.949 ( 0.253 1.233 2.713) 2.991 12.392 ( -0.913 -1.139 1.465) 2.068 13.491 ( 0.155 0.291 -0.286) 0.437 14.918 ( -0.306 5.613 0.403) 5.636 15.692 ( 0.495 -3.302 -0.677) 3.407 15.816 ( -1.250 -0.970 2.049) 2.588 16.886 ( 0.176 -0.095 -0.152) 0.252 ======================= Grid point 228 (80/324) ======================= q-point: (-0.36 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 3.464 12.327 0.204) 12.806 2.859 ( -1.952 15.587 0.386) 15.713 2.965 ( 1.610 -1.342 -2.312) 3.121 3.117 ( 0.288 0.953 1.774) 2.034 3.619 ( 0.294 0.691 -2.234) 2.357 3.893 ( 1.918 5.837 -0.746) 6.189 4.075 ( 0.544 -0.759 1.607) 1.858 4.276 ( -0.221 0.522 0.757) 0.946 4.522 ( 1.897 -2.471 -1.884) 3.640 4.608 ( 2.292 1.626 0.683) 2.892 4.712 ( -2.606 4.396 0.089) 5.111 4.752 ( -0.542 0.000 0.467) 0.715 4.969 ( -0.222 6.405 0.909) 6.473 5.305 ( -2.495 3.382 0.276) 4.211 5.419 ( -2.391 1.891 0.468) 3.084 5.545 ( 3.184 -0.017 1.141) 3.383 5.582 ( 0.346 -0.274 1.596) 1.656 5.759 ( -4.528 -6.591 -3.491) 8.726 5.927 ( 3.562 -0.185 -0.324) 3.581 6.048 ( -1.286 2.451 -0.870) 2.901 6.101 ( -2.307 -1.676 1.009) 3.024 6.143 ( 3.170 -3.972 -0.802) 5.144 6.260 ( -1.559 -2.638 0.679) 3.138 6.345 ( -1.173 -1.779 -1.148) 2.421 6.592 ( 2.138 6.512 0.802) 6.900 6.721 ( 1.406 -5.686 0.093) 5.858 6.944 ( -0.970 -1.441 -0.128) 1.742 7.735 ( 1.536 4.270 -0.227) 4.544 7.809 ( -1.536 1.633 -2.138) 3.098 7.906 ( -1.049 2.509 2.833) 3.927 12.416 ( -0.421 -0.734 1.010) 1.318 13.489 ( 0.025 -0.123 -0.180) 0.219 14.835 ( -0.057 3.001 1.164) 3.219 15.750 ( 2.108 -2.574 -1.542) 3.667 15.882 ( -2.043 -5.854 2.065) 6.535 16.948 ( 0.196 -6.393 -0.075) 6.396 ======================= Grid point 229 (81/324) ======================= q-point: (-0.29 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 3.565 18.800 1.476) 19.192 2.450 ( -1.330 24.958 1.883) 25.064 2.962 ( -0.952 3.982 -10.233) 11.022 3.111 ( 4.487 -0.472 8.817) 9.904 3.533 ( 0.445 7.807 -4.245) 8.897 3.722 ( 2.275 13.056 0.764) 13.275 4.115 ( 1.390 -0.067 3.665) 3.921 4.226 ( 0.194 4.306 -2.887) 5.187 4.447 ( 1.630 11.035 -0.358) 11.160 4.619 ( -0.238 0.005 -2.837) 2.847 4.666 ( -4.179 -3.141 -2.649) 5.860 4.761 ( 1.058 2.725 4.562) 5.419 4.837 ( -0.275 5.011 4.316) 6.619 5.239 ( 0.497 3.873 -0.205) 3.910 5.360 ( -6.710 0.647 2.243) 7.104 5.566 ( -0.124 -0.536 -2.217) 2.284 5.614 ( 3.934 -1.507 2.635) 4.969 5.842 ( -3.545 -3.970 -1.301) 5.479 5.927 ( 1.549 3.788 -3.282) 5.246 5.964 ( 2.665 3.932 -0.781) 4.814 6.134 ( -3.650 -3.131 1.278) 4.976 6.238 ( 3.751 -3.444 -0.473) 5.114 6.315 ( -0.739 -3.732 -1.467) 4.077 6.413 ( 0.716 -5.010 0.423) 5.078 6.478 ( -0.705 3.767 0.179) 3.836 6.826 ( 0.217 -4.183 -0.707) 4.248 6.994 ( -0.648 -4.959 0.219) 5.006 7.638 ( -0.020 5.496 -1.672) 5.745 7.718 ( 0.155 6.203 1.986) 6.515 7.897 ( -1.094 -1.012 0.509) 1.575 12.393 ( 0.003 3.934 0.119) 3.936 13.496 ( -0.059 -0.680 0.075) 0.687 14.825 ( 0.522 -1.475 3.394) 3.737 15.788 ( 4.353 -0.284 -3.697) 5.719 16.028 ( -3.492 -10.383 1.841) 11.108 17.117 ( 0.068 -11.117 -0.164) 11.119 ======================= Grid point 230 (82/324) ======================= q-point: (-0.21 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 2.479 21.745 3.476) 22.160 1.967 ( -0.023 26.117 5.293) 26.648 2.781 ( -2.681 9.728 -11.978) 15.662 3.187 ( 5.160 0.915 7.562) 9.200 3.251 ( -0.108 20.562 -1.614) 20.626 3.485 ( 2.107 11.541 2.299) 11.955 4.040 ( 1.832 9.400 -0.995) 9.629 4.120 ( 0.658 9.297 -1.797) 9.492 4.223 ( 1.061 9.741 1.898) 9.980 4.545 ( -2.901 4.913 -9.162) 10.793 4.648 ( -1.955 5.543 -1.377) 6.037 4.700 ( 2.705 4.020 4.567) 6.658 4.841 ( -1.212 -2.013 9.195) 9.490 5.145 ( -0.782 5.015 0.353) 5.088 5.388 ( -3.611 -4.903 1.283) 6.223 5.533 ( -1.804 3.366 -4.608) 5.985 5.664 ( 3.140 -0.513 3.044) 4.404 5.763 ( -2.467 7.717 -4.629) 9.331 5.859 ( 0.152 1.734 2.422) 2.982 5.953 ( 3.114 0.467 -4.397) 5.409 6.187 ( -1.948 -3.506 -0.451) 4.036 6.283 ( 4.035 0.677 -0.093) 4.093 6.354 ( -1.124 -0.861 0.401) 1.471 6.451 ( 0.500 -5.315 -0.354) 5.350 6.608 ( 0.465 -10.647 0.718) 10.682 6.859 ( -1.664 -0.949 -1.143) 2.231 7.131 ( 0.200 -8.792 0.996) 8.850 7.541 ( -1.638 3.499 -1.395) 4.108 7.633 ( 0.640 3.214 2.237) 3.967 7.933 ( -0.081 -3.484 -0.025) 3.485 12.250 ( 0.419 11.528 0.086) 11.536 13.515 ( -0.119 -1.251 0.333) 1.300 14.909 ( 0.811 -5.356 4.609) 7.113 15.772 ( 7.789 3.495 -6.683) 10.842 16.243 ( -5.305 -13.715 2.334) 14.890 17.353 ( -0.304 -13.714 -0.756) 13.738 ======================= Grid point 231 (83/324) ======================= q-point: (-0.14 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 1.627 22.287 7.255) 23.494 1.513 ( 1.197 24.314 11.400) 26.880 2.533 ( -3.867 11.187 -14.484) 18.705 2.666 ( -0.707 35.062 0.463) 35.073 3.223 ( 0.338 7.273 -1.267) 7.390 3.337 ( 4.451 3.463 9.632) 11.161 3.773 ( 2.588 18.768 2.719) 19.140 3.888 ( 2.295 13.379 -2.776) 13.856 4.087 ( 1.901 10.333 7.765) 13.065 4.407 ( -3.128 5.246 -12.310) 13.742 4.442 ( -0.415 10.955 0.650) 10.982 4.653 ( 0.156 2.682 -4.208) 4.992 4.909 ( -1.469 -2.263 8.354) 8.779 5.065 ( -2.696 2.907 -0.816) 4.047 5.378 ( -1.612 7.906 -5.910) 10.002 5.489 ( -3.529 -2.898 -1.395) 4.775 5.611 ( 2.273 4.362 1.476) 5.135 5.685 ( -1.311 0.672 -1.691) 2.243 5.812 ( 2.095 4.039 0.499) 4.578 5.951 ( 1.401 -0.389 0.413) 1.511 6.241 ( 2.853 -2.794 -4.800) 6.244 6.260 ( -1.547 1.125 -0.599) 2.004 6.417 ( 0.446 -4.949 4.969) 7.027 6.583 ( 0.484 -7.643 -0.541) 7.677 6.732 ( -1.112 -2.065 -1.843) 2.983 6.966 ( 0.862 -11.410 4.018) 12.127 7.259 ( 1.086 -1.528 1.400) 2.340 7.527 ( -4.226 -4.611 -1.984) 6.562 7.597 ( 2.651 1.657 3.276) 4.528 8.043 ( -0.002 -8.277 -1.383) 8.392 11.969 ( 0.729 18.283 0.746) 18.313 13.542 ( -0.237 -1.595 0.480) 1.682 14.993 ( -2.225 0.047 -4.213) 4.765 15.721 ( 16.366 3.544 -4.713) 17.396 16.501 ( -8.177 -15.852 5.052) 18.538 17.617 ( -0.945 -14.619 -1.436) 14.720 ======================= Grid point 232 (84/324) ======================= q-point: (-0.07 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.105 21.452 9.145) 23.320 1.159 ( 3.539 18.085 24.100) 30.338 1.924 ( 2.767 42.129 6.591) 42.731 2.296 ( -6.312 8.158 -18.752) 21.401 2.927 ( -3.774 19.275 -12.471) 23.266 3.316 ( 3.334 10.524 6.594) 12.859 3.525 ( 5.200 6.026 12.643) 14.940 3.595 ( 2.025 18.012 8.949) 20.214 3.916 ( 3.086 8.762 6.292) 11.220 4.247 ( -3.776 5.747 -8.752) 11.131 4.323 ( 0.739 3.578 -7.670) 8.496 4.574 ( -2.018 2.629 -9.365) 9.934 4.901 ( -2.630 7.853 -2.961) 8.795 4.977 ( -5.585 2.154 -2.367) 6.437 5.199 ( -0.183 5.796 -2.193) 6.200 5.467 ( -3.610 -0.861 -0.929) 3.826 5.629 ( -1.091 4.525 0.973) 4.755 5.662 ( 3.667 -3.765 0.377) 5.269 5.746 ( 1.191 3.354 -0.327) 3.574 5.983 ( 1.187 -1.552 2.315) 3.030 6.235 ( -2.731 -0.040 -0.161) 2.736 6.308 ( 6.607 -3.315 -4.560) 8.685 6.553 ( -0.013 -7.362 7.505) 10.513 6.709 ( -1.852 -5.047 -1.303) 5.532 6.779 ( -1.396 -5.845 0.682) 6.048 7.189 ( 3.322 -2.474 2.419) 4.796 7.250 ( 1.068 -4.438 4.623) 6.497 7.503 ( 0.021 3.805 2.618) 4.619 7.739 ( 0.936 -11.135 1.515) 11.277 8.211 ( -0.729 -9.610 -3.054) 10.110 11.600 ( 0.652 20.303 0.913) 20.334 13.572 ( -0.425 -1.496 0.514) 1.638 14.657 ( -9.815 30.820 -35.565) 48.073 15.899 ( 31.950 -10.822 7.832) 34.631 16.798 ( -14.579 -19.220 12.915) 27.364 17.873 ( -1.692 -13.126 -1.497) 13.319 ======================= Grid point 235 (85/324) ======================= q-point: ( 0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 11.026 0.000 19.453) 22.360 0.778 ( 16.714 0.000 13.412) 21.429 1.594 ( -4.614 -0.000 9.661) 10.706 1.839 ( 7.060 0.000 8.067) 10.720 2.067 ( -3.424 -0.000 -15.374) 15.751 2.925 ( -5.187 -0.000 -0.416) 5.203 3.393 ( 4.349 0.000 14.968) 15.587 3.730 ( -1.971 -0.000 9.285) 9.492 3.932 ( -0.933 -0.000 -6.695) 6.760 3.932 ( 2.101 0.000 7.874) 8.150 4.081 ( 0.012 0.000 -0.018) 0.022 4.186 ( -7.736 -0.000 -21.335) 22.694 4.479 ( 1.548 0.000 -6.942) 7.112 4.903 ( -2.389 -0.000 1.336) 2.737 5.180 ( 3.488 0.000 -1.678) 3.870 5.445 ( -0.669 -0.000 -0.123) 0.680 5.563 ( -1.409 -0.000 4.294) 4.520 5.604 ( 0.714 0.000 -0.121) 0.724 5.726 ( -2.502 -0.000 -6.346) 6.822 5.974 ( -5.071 -0.000 -5.551) 7.519 6.215 ( -2.329 -0.000 -5.182) 5.682 6.531 ( 8.426 0.000 -1.628) 8.582 6.723 ( -3.940 -0.000 4.103) 5.689 6.975 ( -1.827 -0.000 0.035) 1.828 7.001 ( -2.295 -0.000 -0.384) 2.326 7.081 ( 1.811 0.000 0.042) 1.811 7.422 ( -4.579 -0.000 12.351) 13.172 7.870 ( 17.130 0.000 4.736) 17.773 7.987 ( -6.948 -0.000 -10.299) 12.424 8.628 ( 2.121 0.000 2.041) 2.944 11.120 ( 0.106 0.000 -0.315) 0.332 12.149 ( 0.086 0.000 0.230) 0.246 13.612 ( 0.926 0.000 0.568) 1.086 16.875 ( 29.788 0.000 -19.967) 35.861 17.305 ( -27.980 -0.000 22.047) 35.623 18.105 ( -4.751 -0.000 -0.152) 4.753 ======================= Grid point 236 (86/324) ======================= q-point: ( 0.21 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 5.650 -7.174 17.432) 19.679 1.254 ( 10.730 -25.394 13.271) 30.596 1.599 ( -8.943 -8.212 -12.806) 17.646 1.903 ( 8.275 -3.125 9.860) 13.246 2.315 ( 0.592 -23.068 -1.151) 23.104 3.034 ( -5.176 -13.446 -0.240) 14.409 3.580 ( 3.959 -12.024 14.886) 19.541 3.707 ( -2.648 1.893 7.485) 8.162 3.890 ( -3.989 -0.097 -12.944) 13.546 3.984 ( 1.251 -2.033 6.691) 7.104 4.166 ( -0.271 -7.490 -1.132) 7.580 4.258 ( -6.114 -14.151 -15.505) 21.864 4.469 ( 2.795 -1.047 -8.660) 9.160 4.906 ( -2.444 -1.096 4.052) 4.857 5.200 ( 4.397 -0.794 -1.305) 4.654 5.447 ( -0.929 3.350 3.215) 4.735 5.540 ( -0.325 -3.701 1.313) 3.940 5.673 ( -2.718 1.874 -6.222) 7.044 5.698 ( 0.847 -5.243 1.460) 5.508 5.921 ( -5.471 1.166 -6.219) 8.365 6.165 ( -3.749 2.157 -5.129) 6.709 6.550 ( 7.990 1.640 -0.593) 8.178 6.688 ( -4.349 2.856 4.287) 6.741 6.863 ( -0.507 9.582 2.669) 9.959 6.890 ( -2.669 8.415 1.855) 9.021 7.148 ( 1.105 -4.676 -0.537) 4.835 7.445 ( 0.050 -0.129 8.676) 8.678 7.853 ( 5.934 7.425 -6.427) 11.474 7.878 ( 3.548 7.308 4.178) 9.135 8.408 ( 1.886 16.730 1.302) 16.886 11.273 ( 0.414 -15.254 0.178) 15.261 12.899 ( -9.697 -62.194 -12.544) 64.183 13.610 ( 1.176 0.724 0.298) 1.413 16.785 ( 15.257 17.652 -15.839) 28.200 17.090 ( -9.044 13.113 21.092) 26.431 17.994 ( -4.887 8.691 -0.482) 9.983 ======================= Grid point 237 (87/324) ======================= q-point: ( 0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -1.657 -15.280 13.556) 20.494 1.610 ( -3.918 -12.127 1.809) 12.872 1.848 ( 2.794 -14.917 1.342) 15.236 2.185 ( 5.165 -22.872 -2.444) 23.575 2.792 ( 1.022 -25.142 2.384) 25.276 3.336 ( -3.683 -19.306 0.241) 19.656 3.656 ( -3.578 1.368 5.648) 6.825 3.879 ( -3.159 -7.640 -8.943) 12.179 3.888 ( -1.939 -4.733 5.097) 7.221 4.128 ( 3.169 -14.729 8.946) 17.522 4.286 ( 1.125 -5.982 -0.083) 6.087 4.446 ( 1.361 -7.472 -8.362) 11.296 4.592 ( -0.527 -16.197 -13.510) 21.098 4.951 ( -3.629 -3.630 6.569) 8.337 5.249 ( 4.383 -2.665 -0.755) 5.185 5.368 ( 0.920 5.296 5.206) 7.483 5.606 ( -1.474 1.956 -3.963) 4.659 5.647 ( -2.443 -6.225 -0.775) 6.732 5.805 ( 0.892 -4.770 0.951) 4.945 5.858 ( -4.104 0.965 -5.724) 7.109 6.081 ( -5.866 2.722 -4.727) 8.010 6.533 ( 6.898 3.992 0.003) 7.969 6.593 ( -3.497 6.772 5.940) 9.663 6.689 ( -1.590 7.430 2.908) 8.136 6.728 ( -0.340 8.165 -0.632) 8.196 7.238 ( 0.724 -4.241 -0.966) 4.409 7.429 ( 3.764 6.038 4.531) 8.435 7.696 ( -2.312 8.828 -1.168) 9.201 7.762 ( 8.657 6.854 2.098) 11.239 8.131 ( -0.822 12.647 -1.585) 12.773 11.641 ( 0.943 -21.495 0.677) 21.527 13.578 ( 0.133 0.541 1.189) 1.313 13.944 ( -10.480 -51.395 -11.926) 53.792 16.348 ( 0.702 25.972 -2.206) 26.075 16.883 ( 7.712 14.532 6.451) 17.672 17.760 ( -4.280 12.841 -0.866) 13.564 ======================= Grid point 238 (88/324) ======================= q-point: ( 0.36 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -6.992 -18.168 8.630) 21.294 1.862 ( -3.320 -16.892 -1.519) 17.282 2.104 ( 3.707 -11.342 4.395) 12.716 2.639 ( 0.370 -22.146 -6.432) 23.064 3.228 ( 0.751 -18.145 3.414) 18.479 3.616 ( -2.868 -2.637 7.246) 8.227 3.703 ( -4.306 -14.371 -3.770) 15.468 3.905 ( -4.634 -3.045 -1.369) 5.712 4.032 ( -3.308 -13.040 -5.695) 14.609 4.378 ( 5.342 -6.456 1.359) 8.489 4.511 ( 5.845 -7.612 -2.192) 9.844 4.637 ( 3.600 -18.243 5.038) 19.265 4.877 ( -1.960 -14.734 -5.089) 15.711 5.047 ( -3.334 -7.176 4.556) 9.130 5.285 ( 3.102 5.712 4.105) 7.688 5.337 ( 2.494 -4.702 0.012) 5.323 5.571 ( 0.291 0.490 -2.522) 2.586 5.705 ( -4.881 -1.592 -3.261) 6.082 5.840 ( -0.608 -1.557 -3.685) 4.047 5.873 ( -2.754 -2.278 0.239) 3.582 6.017 ( -3.693 -0.838 -2.610) 4.599 6.451 ( 4.797 7.892 4.548) 10.294 6.476 ( -1.718 4.832 1.073) 5.240 6.536 ( -2.887 8.059 -0.228) 8.564 6.620 ( 0.240 3.274 -2.055) 3.873 7.232 ( 2.587 9.573 -0.609) 9.935 7.311 ( 0.172 5.218 -0.611) 5.256 7.518 ( 5.557 8.035 5.353) 11.139 7.745 ( 2.201 -0.946 -1.221) 2.689 7.927 ( -3.325 7.033 -1.256) 7.880 12.030 ( 1.039 -17.662 0.302) 17.695 13.555 ( 0.411 1.557 0.669) 1.744 14.693 ( -6.819 -33.964 -3.504) 34.818 15.875 ( -1.872 22.418 -2.081) 22.592 16.625 ( 7.321 17.416 2.125) 19.011 17.494 ( -2.945 12.922 -0.586) 13.266 ======================= Grid point 239 (89/324) ======================= q-point: ( 0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -9.715 -18.409 3.798) 21.159 2.198 ( -0.114 -19.093 0.914) 19.115 2.354 ( 1.895 -13.228 0.312) 13.367 2.967 ( -1.212 -14.999 -3.910) 15.548 3.418 ( -1.971 -0.814 1.790) 2.784 3.658 ( -4.174 -3.246 1.571) 5.516 3.847 ( -3.694 -8.099 -2.760) 9.320 4.123 ( 0.347 -16.772 1.182) 16.817 4.280 ( -2.336 -14.180 -2.706) 14.624 4.512 ( 2.120 -4.002 1.402) 4.741 4.644 ( 8.856 -7.578 -6.242) 13.222 4.933 ( 0.731 -6.231 1.658) 6.489 5.032 ( -2.491 -2.436 7.317) 8.104 5.188 ( 4.384 3.478 5.163) 7.614 5.268 ( -0.230 -12.130 -0.694) 12.152 5.445 ( 0.701 -5.542 0.130) 5.588 5.570 ( 1.642 -0.054 -0.881) 1.864 5.681 ( -3.356 0.174 -3.829) 5.095 5.827 ( -3.204 -0.526 -1.040) 3.409 5.934 ( -0.886 -4.534 -1.669) 4.912 6.050 ( 0.665 -2.161 -0.134) 2.265 6.317 ( -1.410 8.128 1.712) 8.425 6.373 ( 0.097 5.209 -1.281) 5.365 6.414 ( -1.048 4.133 0.779) 4.334 6.582 ( -1.108 -0.978 -3.005) 3.349 7.018 ( 4.278 12.494 -1.721) 13.318 7.130 ( 0.059 12.149 2.677) 12.441 7.521 ( 3.420 -2.311 1.367) 4.348 7.781 ( 1.679 -2.130 -0.019) 2.712 7.843 ( -3.713 0.256 -0.375) 3.741 12.285 ( 0.420 -8.724 -0.218) 8.737 13.532 ( 0.327 1.221 0.312) 1.302 15.152 ( -1.574 -16.671 4.792) 17.417 15.501 ( -4.220 13.549 -6.448) 15.587 16.326 ( 4.235 16.921 0.944) 17.469 17.256 ( -1.540 10.930 -0.071) 11.038 ======================= Grid point 240 (90/324) ======================= q-point: ( 0.50 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -8.565 -17.181 0.952) 19.221 2.559 ( 1.777 -17.650 2.073) 17.860 2.621 ( 0.427 -14.620 -1.684) 14.722 3.193 ( -0.276 -9.226 -0.152) 9.232 3.342 ( -3.500 4.561 -0.907) 5.821 3.700 ( -4.498 -4.076 -1.081) 6.165 4.013 ( -0.535 -9.204 0.431) 9.229 4.423 ( 1.424 -12.655 0.391) 12.741 4.491 ( 0.421 -9.079 -2.742) 9.493 4.540 ( 1.207 0.921 1.290) 1.992 4.841 ( 2.378 -7.700 -6.344) 10.256 4.867 ( 0.559 7.958 0.353) 7.986 4.999 ( 2.010 6.356 5.469) 8.623 5.216 ( 0.612 -3.757 4.621) 5.987 5.465 ( -0.106 -6.042 1.694) 6.276 5.534 ( 0.071 -2.751 2.489) 3.711 5.569 ( -0.083 -0.182 -2.501) 2.509 5.659 ( 0.134 0.556 -3.623) 3.668 5.854 ( -0.159 -2.200 1.680) 2.773 6.000 ( -0.342 -3.248 -2.112) 3.889 6.081 ( 1.856 -0.534 1.156) 2.251 6.178 ( -1.935 5.455 0.659) 5.825 6.289 ( -1.749 2.715 -2.336) 3.986 6.339 ( -1.542 3.124 -0.368) 3.503 6.655 ( -1.152 -7.305 -1.690) 7.586 6.809 ( 4.351 10.963 -0.800) 11.822 6.940 ( 0.746 8.350 2.567) 8.767 7.595 ( 0.235 -4.344 -0.435) 4.372 7.844 ( -1.830 -1.057 -1.078) 2.372 7.853 ( 1.254 -4.257 1.979) 4.859 12.374 ( -0.470 -1.647 0.195) 1.724 13.514 ( 0.281 0.887 -0.028) 0.931 15.197 ( 0.235 9.719 3.042) 10.187 15.458 ( -3.640 -9.882 -3.497) 11.096 16.054 ( 1.508 13.059 1.036) 13.186 17.069 ( -0.545 8.460 0.147) 8.479 ======================= Grid point 241 (91/324) ======================= q-point: ( 0.57 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -4.485 -13.887 -0.147) 14.594 2.862 ( 1.690 -12.488 0.473) 12.611 2.884 ( -0.020 -12.702 -0.720) 12.723 3.145 ( -1.144 8.747 0.611) 8.842 3.421 ( -1.290 -9.509 -0.474) 9.607 3.780 ( -2.783 -6.381 0.116) 6.962 4.157 ( 0.382 -4.923 0.601) 4.975 4.442 ( 0.789 5.984 -1.184) 6.150 4.539 ( -0.492 8.271 -0.837) 8.328 4.636 ( 0.131 -4.401 -5.292) 6.884 4.706 ( 1.756 -2.553 3.361) 4.571 4.891 ( 3.848 6.437 1.842) 7.722 5.002 ( -1.187 -5.182 -0.953) 5.401 5.313 ( 1.939 -4.065 4.560) 6.410 5.490 ( -0.242 2.064 -0.263) 2.094 5.546 ( -2.586 -0.622 -0.199) 2.667 5.589 ( -1.974 -0.929 -2.652) 3.434 5.636 ( 2.640 1.515 -0.136) 3.047 5.885 ( -1.364 -1.185 0.782) 1.969 6.047 ( 0.636 -1.751 0.528) 1.936 6.094 ( 1.270 0.626 1.523) 2.080 6.109 ( 0.993 1.575 -0.863) 2.053 6.244 ( -2.892 0.633 -1.294) 3.231 6.301 ( -1.031 -0.072 -0.503) 1.150 6.663 ( 2.069 4.863 -1.709) 5.554 6.770 ( 0.034 -1.368 -0.167) 1.379 6.848 ( 1.228 0.309 2.565) 2.860 7.679 ( -0.856 -4.682 -0.621) 4.800 7.845 ( -0.496 0.258 -1.556) 1.653 7.938 ( 0.479 -3.014 2.417) 3.893 12.381 ( -0.934 -0.041 1.217) 1.534 13.500 ( 0.230 0.634 -0.262) 0.724 15.037 ( -0.815 7.121 -0.566) 7.189 15.600 ( -0.554 -6.464 0.131) 6.489 15.870 ( -0.403 6.802 1.567) 6.992 16.937 ( 0.006 5.160 -0.000) 5.160 ======================= Grid point 242 (92/324) ======================= q-point: (-0.36 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 0.207 -4.625 -0.398) 4.647 2.975 ( -0.170 5.276 0.124) 5.280 3.014 ( -0.527 -1.388 -2.061) 2.540 3.074 ( 0.233 -5.151 1.747) 5.444 3.565 ( -0.299 -5.503 -0.276) 5.518 3.899 ( -0.544 -5.426 0.249) 5.459 4.133 ( -0.039 5.964 -0.445) 5.981 4.321 ( 0.704 5.373 0.577) 5.449 4.451 ( 0.182 -2.455 -0.403) 2.495 4.661 ( -0.884 0.853 -0.669) 1.399 4.748 ( 1.507 0.754 -0.075) 1.686 4.824 ( 4.664 4.691 -0.344) 6.624 5.027 ( -3.887 0.253 1.323) 4.114 5.357 ( -0.874 2.568 0.183) 2.719 5.453 ( 1.780 1.332 0.679) 2.325 5.555 ( -1.900 -0.976 -4.523) 5.002 5.586 ( 1.415 -1.864 3.656) 4.341 5.630 ( -1.526 -0.656 -0.065) 1.662 5.909 ( -0.580 -1.998 0.538) 2.149 6.074 ( -1.771 -0.128 0.781) 1.940 6.078 ( 1.115 0.541 0.379) 1.296 6.110 ( 3.116 -0.675 -1.384) 3.476 6.226 ( -2.706 -0.406 -0.120) 2.739 6.313 ( -0.269 -1.125 -0.259) 1.185 6.644 ( 0.548 -2.290 -1.395) 2.736 6.710 ( 1.117 4.881 -0.215) 5.012 6.911 ( 0.300 -2.439 1.785) 3.037 7.756 ( -0.004 -3.579 0.058) 3.580 7.814 ( -0.319 2.400 -2.388) 3.401 7.963 ( -0.544 1.366 2.561) 2.953 12.392 ( -0.877 -1.254 1.538) 2.170 13.491 ( 0.164 0.332 -0.278) 0.463 14.917 ( -0.374 5.179 0.330) 5.203 15.697 ( 1.209 -3.695 -0.607) 3.935 15.812 ( -1.959 -0.664 1.970) 2.856 16.887 ( 0.195 -0.126 -0.145) 0.274 ======================= Grid point 243 (93/324) ======================= q-point: (-0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 1.916 11.334 0.715) 11.517 2.843 ( -1.399 15.169 -0.422) 15.239 2.964 ( 1.224 0.104 -2.953) 3.198 3.131 ( 0.089 -1.061 2.647) 2.854 3.599 ( -0.394 1.283 -4.567) 4.760 3.903 ( 1.159 5.226 -0.656) 5.393 4.106 ( 1.650 -2.271 5.141) 5.857 4.275 ( -0.501 1.227 0.482) 1.410 4.527 ( 1.192 -3.740 -1.574) 4.229 4.626 ( 0.934 1.775 -0.110) 2.009 4.693 ( -0.965 8.918 -0.767) 9.002 4.758 ( 0.426 -1.726 1.450) 2.294 4.974 ( -0.523 5.459 1.893) 5.802 5.274 ( -2.785 2.817 0.400) 3.982 5.411 ( -0.463 4.079 1.069) 4.243 5.547 ( -0.443 -0.519 -3.146) 3.220 5.620 ( 1.366 0.245 2.217) 2.616 5.713 ( -0.926 -7.245 -0.374) 7.313 5.956 ( 2.737 -1.602 0.303) 3.186 6.029 ( -1.192 2.870 -2.390) 3.920 6.080 ( -2.670 -0.350 0.590) 2.756 6.172 ( 3.259 -4.376 0.344) 5.467 6.240 ( -2.488 -2.619 -1.652) 3.972 6.342 ( 0.643 -2.202 0.796) 2.428 6.601 ( 0.034 6.341 -1.143) 6.443 6.730 ( 0.523 -5.423 -0.085) 5.449 6.939 ( -0.256 -0.877 0.288) 0.958 7.735 ( 0.041 4.949 -2.388) 5.495 7.806 ( 1.260 -0.196 1.098) 1.682 7.905 ( -1.962 3.575 1.841) 4.475 12.416 ( -0.600 -0.736 0.752) 1.211 13.489 ( 0.100 -0.117 -0.085) 0.176 14.849 ( 0.506 2.318 3.309) 4.072 15.759 ( 2.216 -2.783 -2.416) 4.300 15.869 ( -2.883 -5.560 1.531) 6.448 16.949 ( 0.124 -6.359 -0.152) 6.362 ======================= Grid point 244 (94/324) ======================= q-point: (-0.21 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 1.454 18.299 2.679) 18.551 2.451 ( -0.869 23.777 2.133) 23.888 2.896 ( -1.442 6.506 -10.286) 12.256 3.192 ( 2.990 -3.206 8.481) 9.547 3.491 ( -1.709 7.999 -8.117) 11.523 3.748 ( 1.717 11.628 2.441) 12.005 4.177 ( 3.555 0.014 7.982) 8.738 4.204 ( -0.108 5.588 -3.312) 6.496 4.459 ( 1.101 12.182 -0.315) 12.236 4.587 ( -1.243 2.488 -5.508) 6.170 4.620 ( -2.466 -3.122 -2.138) 4.517 4.811 ( 2.338 1.310 6.812) 7.320 4.859 ( -0.428 3.222 4.711) 5.723 5.247 ( 1.876 2.322 0.030) 2.986 5.323 ( -4.663 2.295 2.855) 5.930 5.545 ( -1.107 -0.038 -3.505) 3.676 5.634 ( -1.251 -1.512 -1.070) 2.235 5.825 ( 0.671 -3.798 0.673) 3.915 5.911 ( -0.060 6.280 -4.144) 7.524 5.985 ( 3.158 1.737 -2.113) 4.178 6.104 ( -3.893 -3.534 1.060) 5.363 6.269 ( 1.967 -3.339 0.074) 3.875 6.303 ( 0.661 -4.939 -0.909) 5.065 6.428 ( 1.542 -6.320 1.350) 6.644 6.473 ( -0.809 5.272 0.392) 5.348 6.821 ( -0.038 -3.029 -1.305) 3.299 6.982 ( -1.353 -5.486 -1.063) 5.749 7.624 ( -0.258 5.726 -2.060) 6.091 7.739 ( 0.797 6.376 3.216) 7.185 7.890 ( -0.834 -1.488 0.149) 1.713 12.393 ( -0.123 3.755 0.025) 3.757 13.497 ( 0.044 -0.686 0.184) 0.712 14.862 ( 1.428 -1.849 6.656) 7.054 15.798 ( 2.791 -0.828 -5.323) 6.068 16.004 ( -3.288 -9.968 1.438) 10.595 17.115 ( -0.217 -10.906 -0.543) 10.921 ======================= Grid point 245 (95/324) ======================= q-point: (-0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 0.649 21.133 5.233) 21.781 2.001 ( 0.188 24.287 7.075) 25.297 2.679 ( -4.009 10.886 -13.920) 18.120 3.202 ( -1.716 20.613 -5.977) 21.530 3.287 ( 2.978 -1.418 8.157) 8.798 3.528 ( 2.213 12.232 6.365) 13.965 4.062 ( 2.562 8.955 -1.300) 9.405 4.116 ( -0.054 11.385 0.406) 11.392 4.252 ( 2.777 7.669 2.698) 8.591 4.469 ( -2.880 6.543 -8.695) 11.256 4.611 ( -2.121 2.464 -3.546) 4.811 4.753 ( 2.382 7.588 5.677) 9.771 4.890 ( 0.527 -1.864 9.376) 9.574 5.138 ( -1.075 6.387 0.490) 6.495 5.371 ( -1.384 -5.473 0.679) 5.686 5.491 ( -1.856 4.465 -4.857) 6.854 5.636 ( -4.995 0.081 -7.636) 9.125 5.756 ( 1.829 6.063 3.681) 7.325 5.884 ( 1.528 0.254 1.583) 2.215 5.951 ( 2.346 1.612 -5.323) 6.036 6.161 ( -2.853 -3.936 -0.730) 4.916 6.312 ( 2.365 2.976 -0.626) 3.852 6.352 ( -0.271 -3.261 1.648) 3.664 6.453 ( 0.212 -5.358 -0.260) 5.368 6.628 ( 2.324 -9.692 1.529) 10.084 6.837 ( -1.026 -2.041 -1.359) 2.658 7.134 ( -0.493 -10.059 0.700) 10.095 7.515 ( -1.575 4.498 -1.983) 5.162 7.661 ( 1.719 3.060 3.100) 4.683 7.930 ( -0.448 -3.450 -0.222) 3.486 12.256 ( 0.566 11.152 0.411) 11.174 13.516 ( -0.054 -1.223 0.391) 1.286 14.952 ( 1.512 -3.844 7.275) 8.366 15.787 ( 3.828 1.115 -7.943) 8.888 16.214 ( -3.178 -13.112 2.137) 13.660 17.341 ( -0.884 -13.376 -1.439) 13.482 ======================= Grid point 246 (96/324) ======================= q-point: (-0.07 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -0.697 21.682 7.981) 23.115 1.600 ( 2.167 21.230 15.548) 26.404 2.399 ( -6.115 11.417 -17.143) 21.485 2.671 ( 0.995 33.255 -0.009) 33.270 3.202 ( -0.848 13.137 -3.049) 13.513 3.443 ( 3.711 1.478 13.205) 13.796 3.806 ( 0.276 17.622 2.488) 17.799 3.906 ( 3.073 10.298 0.635) 10.766 4.150 ( 2.835 8.933 7.758) 12.167 4.304 ( -3.679 6.053 -13.331) 15.096 4.441 ( -0.988 12.168 1.624) 12.316 4.621 ( 0.563 4.980 -7.444) 8.974 4.952 ( 0.240 -0.531 8.915) 8.934 5.032 ( -3.134 4.832 -1.655) 5.993 5.329 ( -1.825 8.253 -6.089) 10.417 5.435 ( -4.657 -0.002 -5.064) 6.880 5.590 ( -0.873 -2.646 -4.162) 5.008 5.715 ( 1.745 3.062 6.349) 7.262 5.840 ( 3.117 4.683 -0.046) 5.625 5.951 ( -0.430 -1.809 -2.707) 3.285 6.211 ( -4.167 -1.815 -1.739) 4.867 6.275 ( 4.518 -0.667 -1.252) 4.735 6.447 ( 0.049 -5.449 4.713) 7.205 6.584 ( 0.378 -7.546 -0.439) 7.568 6.701 ( -2.974 -1.236 -2.546) 4.105 7.020 ( 4.999 -13.054 5.861) 15.157 7.279 ( 1.260 -1.256 1.656) 2.431 7.481 ( -3.248 -4.756 -1.841) 6.046 7.642 ( 3.285 0.754 2.874) 4.429 8.029 ( -1.246 -7.692 -1.863) 8.012 11.982 ( 1.025 18.181 1.178) 18.248 13.543 ( -0.222 -1.518 0.494) 1.612 14.940 ( -3.649 9.966 -5.545) 11.974 15.824 ( 10.078 -6.686 -2.462) 12.342 16.473 ( -3.591 -14.768 4.974) 15.991 17.594 ( -1.771 -14.402 -2.117) 14.664 ======================= Grid point 250 (97/324) ======================= q-point: ( 0.21 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 10.749 0.000 19.484) 22.252 0.997 ( 16.914 0.000 9.964) 19.631 1.439 ( -12.083 -0.000 -18.006) 21.685 1.967 ( -2.318 -0.000 -11.958) 12.180 2.083 ( 12.634 0.000 27.663) 30.411 2.866 ( -7.149 -0.000 -0.448) 7.163 3.507 ( 3.918 0.000 12.812) 13.398 3.744 ( -3.029 -0.000 4.810) 5.684 3.885 ( -0.921 -0.000 -7.392) 7.449 3.946 ( -3.810 -0.000 -5.416) 6.622 4.041 ( -3.233 -0.000 -6.830) 7.557 4.081 ( 0.009 0.000 -0.021) 0.023 4.454 ( 1.614 0.000 -7.705) 7.872 4.899 ( -2.389 -0.000 4.747) 5.314 5.221 ( 7.031 0.000 -0.226) 7.035 5.438 ( -0.741 -0.000 -0.084) 0.746 5.592 ( 0.796 0.000 6.809) 6.856 5.611 ( 0.847 0.000 -0.083) 0.852 5.663 ( -3.221 -0.000 -6.229) 7.012 5.887 ( -6.379 -0.000 -6.366) 9.012 6.154 ( -4.102 -0.000 -6.408) 7.608 6.597 ( 6.363 0.000 -0.412) 6.377 6.706 ( -4.515 -0.000 4.233) 6.188 6.959 ( -1.750 -0.000 0.029) 1.751 6.978 ( -1.787 -0.000 -0.307) 1.814 7.098 ( 1.720 0.000 0.029) 1.720 7.458 ( -2.128 -0.000 10.581) 10.793 7.874 ( -5.129 -0.000 -10.410) 11.604 8.034 ( 13.701 0.000 3.558) 14.155 8.652 ( 1.488 0.000 0.740) 1.662 11.120 ( 0.165 0.000 -0.240) 0.292 12.151 ( 0.078 0.000 0.171) 0.188 13.627 ( 1.573 0.000 0.669) 1.709 16.969 ( 12.643 0.000 -22.352) 25.680 17.236 ( -10.015 -0.000 21.793) 23.984 18.056 ( -5.968 -0.000 0.426) 5.984 ======================= Grid point 251 (98/324) ======================= q-point: ( 0.29 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 7.878 -2.190 16.520) 18.432 1.364 ( -4.802 -11.156 -3.979) 12.781 1.472 ( 4.938 -22.049 -2.148) 22.697 1.986 ( 3.698 -4.604 -1.120) 6.010 2.371 ( 4.125 -18.251 10.041) 21.235 2.981 ( -5.982 -14.560 -0.157) 15.742 3.679 ( 1.102 -5.813 9.548) 11.233 3.713 ( -1.185 -4.034 3.898) 5.733 3.797 ( -3.295 0.905 -7.517) 8.257 4.009 ( -1.501 -2.217 2.935) 3.973 4.134 ( -4.237 -15.127 -12.027) 19.784 4.166 ( 0.592 -7.048 0.088) 7.074 4.450 ( 3.206 -1.471 -8.077) 8.814 4.910 ( -3.255 -1.135 6.502) 7.360 5.252 ( 7.479 0.082 0.831) 7.526 5.463 ( 0.126 0.255 2.819) 2.833 5.547 ( 0.115 -0.281 1.517) 1.547 5.617 ( -2.227 1.184 -4.603) 5.249 5.718 ( 0.918 -5.212 2.641) 5.914 5.835 ( -5.894 0.612 -5.815) 8.302 6.092 ( -5.487 2.330 -6.278) 8.657 6.602 ( 2.824 1.733 -1.106) 3.493 6.675 ( -2.313 2.498 4.365) 5.535 6.861 ( -0.359 7.286 -0.999) 7.363 6.888 ( -1.234 8.773 3.380) 9.482 7.156 ( 1.565 -4.353 -0.696) 4.678 7.491 ( -0.206 -1.047 7.568) 7.643 7.774 ( -3.743 5.121 -8.854) 10.892 8.012 ( 11.210 8.954 3.548) 14.779 8.429 ( 1.674 18.043 0.377) 18.124 11.278 ( 0.398 -15.660 0.058) 15.666 12.780 ( -6.155 -55.345 -5.781) 55.985 13.625 ( 1.507 1.108 0.434) 1.920 16.764 ( -1.331 17.900 -12.494) 21.870 17.176 ( 6.943 9.509 11.325) 16.336 17.945 ( -5.763 8.469 0.723) 10.269 ======================= Grid point 252 (99/324) ======================= q-point: ( 0.36 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -0.433 -9.989 10.496) 14.496 1.517 ( -7.465 -14.982 -7.051) 18.163 1.958 ( 7.623 -13.622 13.035) 20.337 2.186 ( 1.589 -20.346 -8.328) 22.041 2.820 ( 0.982 -24.544 2.604) 24.702 3.301 ( -3.664 -20.340 -0.361) 20.670 3.645 ( -3.205 1.922 2.351) 4.416 3.800 ( -2.598 -6.264 -4.891) 8.361 3.881 ( -4.741 -0.846 0.251) 4.823 4.206 ( 3.585 -18.782 6.478) 20.189 4.308 ( 1.956 -7.583 2.302) 8.163 4.405 ( -0.356 -14.138 -6.444) 15.541 4.546 ( 3.565 -11.709 -9.179) 15.299 4.951 ( -4.589 -3.194 7.464) 9.326 5.300 ( 6.283 -1.534 1.734) 6.696 5.421 ( 3.070 4.988 6.446) 8.709 5.555 ( -3.092 -0.427 -6.684) 7.377 5.630 ( -1.545 -3.215 1.072) 3.725 5.790 ( -3.324 -1.239 -3.071) 4.692 5.820 ( -0.535 -3.282 0.409) 3.351 5.999 ( -5.810 2.139 -5.126) 8.038 6.546 ( -2.150 3.684 -0.848) 4.349 6.623 ( 2.264 4.502 4.091) 6.490 6.691 ( -0.038 10.175 1.617) 10.303 6.727 ( 0.085 7.812 -0.518) 7.830 7.241 ( 1.273 -3.616 -1.132) 3.997 7.480 ( 2.605 7.119 3.274) 8.258 7.651 ( -3.113 1.859 -3.764) 5.227 7.854 ( 7.492 11.603 2.474) 14.031 8.120 ( -0.132 14.398 -1.168) 14.446 11.651 ( 0.753 -21.742 0.069) 21.755 13.586 ( 0.141 -0.568 1.399) 1.516 13.814 ( -7.326 -50.909 -6.309) 51.819 16.312 ( -2.754 24.340 -6.802) 25.423 16.994 ( 9.644 15.997 4.301) 19.169 17.720 ( -4.408 12.332 0.906) 13.128 ======================= Grid point 253 (100/324) ======================= q-point: ( 0.43 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -7.849 -15.153 3.269) 17.376 1.821 ( -2.418 -19.743 0.259) 19.892 2.171 ( 3.446 -8.395 3.330) 9.666 2.614 ( 0.326 -21.563 -2.601) 21.722 3.243 ( -0.078 -17.526 0.401) 17.531 3.616 ( -3.523 -0.099 0.592) 3.573 3.646 ( -3.324 -14.498 -1.307) 14.931 3.859 ( -2.978 -6.413 -2.002) 7.349 3.985 ( -2.645 -13.241 -0.866) 13.530 4.424 ( 3.416 -6.264 1.156) 7.228 4.540 ( 5.992 -7.688 -7.104) 12.061 4.692 ( 2.299 -18.150 1.867) 18.390 4.862 ( 1.182 -17.792 3.165) 18.110 5.036 ( -4.402 -6.960 5.201) 9.740 5.343 ( 3.545 6.524 4.068) 8.466 5.374 ( 3.991 -3.030 2.403) 5.557 5.546 ( -1.965 -1.412 -3.225) 4.032 5.650 ( -3.892 -0.472 -1.819) 4.322 5.807 ( -2.318 -0.264 -4.116) 4.732 5.841 ( -3.315 -3.240 0.465) 4.658 5.993 ( 0.003 -3.353 -0.817) 3.451 6.457 ( -2.058 4.167 -1.363) 4.843 6.500 ( -0.163 10.343 1.387) 10.437 6.530 ( 1.534 7.209 3.764) 8.276 6.609 ( 0.293 4.128 -2.842) 5.020 7.243 ( 1.752 7.498 -1.712) 7.887 7.305 ( -0.312 7.572 -1.231) 7.678 7.606 ( 6.334 6.255 5.931) 10.697 7.745 ( 0.335 0.026 -3.327) 3.344 7.895 ( -2.673 7.799 -0.241) 8.248 12.038 ( 0.756 -17.534 -0.523) 17.559 13.562 ( 0.381 1.739 0.492) 1.847 14.623 ( -5.339 -36.891 -1.253) 37.297 15.835 ( -2.279 22.367 -5.573) 23.164 16.700 ( 6.589 19.275 1.502) 20.426 17.470 ( -2.474 12.359 1.151) 12.657 ======================= Grid point 254 (101/324) ======================= q-point: ( 0.50 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -9.548 -18.057 -0.057) 20.426 2.207 ( 0.319 -20.365 3.211) 20.620 2.373 ( 1.391 -11.854 -0.969) 11.974 2.953 ( 0.086 -14.964 1.010) 14.999 3.396 ( -2.566 0.307 -2.081) 3.318 3.618 ( -3.797 -2.279 -1.736) 4.757 3.813 ( -2.113 -10.601 -0.117) 10.810 4.141 ( 1.907 -17.616 1.217) 17.760 4.243 ( -2.857 -14.509 -1.649) 14.879 4.534 ( 1.147 -3.014 0.948) 3.362 4.688 ( 8.466 -7.631 -7.101) 13.429 4.931 ( -0.149 -4.922 -2.119) 5.361 5.062 ( -1.998 -2.329 8.971) 9.481 5.241 ( 2.680 4.338 1.437) 5.298 5.274 ( 0.350 -13.333 2.756) 13.620 5.460 ( 1.492 -4.303 1.792) 4.894 5.557 ( -3.003 -0.749 -1.010) 3.255 5.634 ( -3.371 -1.374 -1.348) 3.882 5.816 ( 1.937 -2.637 -0.449) 3.303 5.913 ( -1.498 -4.426 -1.629) 4.948 6.060 ( 1.172 -2.839 0.311) 3.088 6.311 ( -1.509 9.278 1.109) 9.465 6.361 ( -0.633 4.969 -2.192) 5.468 6.418 ( 0.050 5.571 1.370) 5.737 6.562 ( -0.346 -0.643 -1.221) 1.423 7.036 ( 2.878 11.639 -3.009) 12.362 7.142 ( -0.416 10.845 1.919) 11.022 7.566 ( 4.108 1.224 1.804) 4.650 7.775 ( -1.308 -3.171 -3.354) 4.797 7.822 ( -1.520 -0.435 2.602) 3.044 12.285 ( 0.287 -8.493 -0.656) 8.523 13.535 ( 0.202 1.306 0.108) 1.326 15.147 ( -2.757 -21.255 0.913) 21.453 15.444 ( -1.889 16.239 -4.311) 16.908 16.365 ( 3.160 18.204 0.763) 18.492 17.247 ( -1.022 10.622 1.109) 10.728 ======================= Grid point 255 (102/324) ======================= q-point: ( 0.57 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -6.926 -18.458 -0.897) 19.735 2.583 ( 0.788 -17.806 2.602) 18.012 2.625 ( 1.169 -14.129 -0.409) 14.183 3.203 ( 1.086 -10.564 2.387) 10.885 3.298 ( -3.490 5.490 -3.023) 7.174 3.664 ( -2.522 -4.438 -0.122) 5.106 4.014 ( -0.368 -9.903 1.138) 9.975 4.439 ( 1.716 -10.641 -0.880) 10.815 4.468 ( -0.932 -10.943 -4.422) 11.840 4.552 ( 0.326 0.570 0.752) 0.998 4.832 ( 3.007 2.855 -3.130) 5.195 4.876 ( 1.224 -0.658 -2.466) 2.830 5.036 ( 0.350 5.647 3.619) 6.716 5.245 ( 0.096 -3.699 3.641) 5.191 5.464 ( -1.296 -6.055 -0.392) 6.205 5.532 ( -3.202 0.996 -2.797) 4.367 5.548 ( -0.162 -2.929 2.336) 3.750 5.662 ( 1.738 -1.033 2.006) 2.848 5.878 ( 3.041 -0.592 1.474) 3.431 5.980 ( -1.487 -4.587 -1.818) 5.153 6.105 ( 2.020 -1.099 0.754) 2.420 6.165 ( -1.823 5.127 0.888) 5.513 6.266 ( -0.722 3.781 -1.736) 4.223 6.334 ( -0.346 3.296 1.661) 3.708 6.630 ( -0.804 -5.898 -3.448) 6.880 6.837 ( 2.621 9.379 -1.135) 9.804 6.961 ( 0.302 7.970 3.335) 8.645 7.599 ( 0.672 -3.041 0.065) 3.115 7.815 ( -1.624 -2.333 -2.857) 4.030 7.877 ( 0.625 -3.794 3.057) 4.912 12.372 ( -0.318 -1.605 0.365) 1.676 13.515 ( 0.156 0.928 -0.201) 0.962 15.177 ( -2.572 9.381 -5.819) 11.335 15.443 ( 0.015 -10.695 3.787) 11.346 16.071 ( 0.747 13.772 1.059) 13.833 17.067 ( -0.252 8.374 0.682) 8.405 ======================= Grid point 256 (103/324) ======================= q-point: ( 0.64 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -2.759 -15.741 -0.665) 15.994 2.874 ( 0.816 -11.381 0.225) 11.413 2.889 ( 0.744 -12.541 0.873) 12.594 3.135 ( -1.142 7.966 -0.353) 8.055 3.419 ( 0.219 -9.667 1.772) 9.830 3.764 ( -1.245 -6.903 0.771) 7.057 4.164 ( 0.181 -4.583 0.922) 4.678 4.434 ( -0.156 5.924 -3.354) 6.809 4.524 ( -0.778 7.572 -2.350) 7.966 4.607 ( 0.215 -5.090 -4.896) 7.066 4.749 ( 2.435 -1.312 4.476) 5.261 4.922 ( 1.351 3.040 0.258) 3.337 4.982 ( -1.062 -1.681 -2.049) 2.855 5.335 ( -1.839 -4.379 1.200) 4.898 5.484 ( -0.962 1.325 -1.652) 2.326 5.513 ( -1.634 -0.318 -0.308) 1.693 5.573 ( 0.626 -0.054 -0.111) 0.638 5.681 ( 3.911 1.547 4.706) 6.312 5.879 ( -0.812 -0.226 0.602) 1.035 6.048 ( -1.055 -2.423 0.674) 2.727 6.100 ( -0.361 1.736 -0.509) 1.845 6.128 ( 3.333 0.175 0.065) 3.338 6.211 ( -2.509 0.927 -1.072) 2.881 6.310 ( 1.246 0.324 3.024) 3.287 6.635 ( -1.648 1.988 -7.286) 7.730 6.772 ( 0.144 1.293 -0.694) 1.474 6.888 ( 1.891 0.283 5.875) 6.178 7.675 ( 0.146 -4.458 0.284) 4.470 7.829 ( -0.456 -0.254 -2.362) 2.419 7.952 ( -0.261 -2.625 2.292) 3.495 12.381 ( -0.688 -0.071 1.570) 1.715 13.500 ( 0.160 0.641 -0.351) 0.748 15.015 ( -1.529 5.904 -3.376) 6.971 15.607 ( 0.642 -6.290 2.101) 6.662 15.873 ( -0.771 7.300 1.546) 7.501 16.938 ( 0.069 5.164 0.115) 5.166 ======================= Grid point 257 (104/324) ======================= q-point: (-0.29 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 0.275 -5.992 -0.339) 6.008 2.968 ( -0.752 3.757 -0.930) 3.943 3.006 ( 0.462 -0.338 -0.807) 0.990 3.088 ( 0.463 -3.906 1.988) 4.407 3.567 ( 0.570 -4.546 0.354) 4.595 3.894 ( -0.605 -5.631 -0.034) 5.664 4.129 ( -0.239 4.559 -0.730) 4.624 4.338 ( 1.271 5.279 1.715) 5.694 4.446 ( -0.333 -2.957 -1.074) 3.164 4.647 ( -0.775 -0.606 -1.349) 1.669 4.756 ( 0.389 1.414 -0.016) 1.467 4.862 ( 3.744 7.205 -1.287) 8.221 4.989 ( -4.704 -2.037 0.599) 5.161 5.350 ( -0.568 2.906 -0.002) 2.961 5.466 ( -0.647 1.254 -0.384) 1.462 5.507 ( -1.840 -1.555 -3.120) 3.942 5.594 ( 0.257 -1.832 0.727) 1.988 5.677 ( 4.845 1.329 5.702) 7.600 5.909 ( -0.116 -2.956 0.562) 3.011 6.057 ( -1.819 0.649 -0.884) 2.124 6.081 ( -0.174 0.475 -0.214) 0.549 6.140 ( 3.973 -0.307 0.335) 3.998 6.192 ( -3.657 -0.638 -1.235) 3.912 6.327 ( 1.731 -0.410 1.952) 2.641 6.620 ( -2.017 -2.762 -3.537) 4.920 6.707 ( -0.620 3.512 -2.035) 4.106 6.936 ( 1.535 -0.909 3.363) 3.807 7.758 ( 0.318 -3.723 0.554) 3.777 7.803 ( 0.587 2.229 -1.911) 2.994 7.966 ( -1.295 1.663 1.801) 2.773 12.392 ( -0.844 -1.123 1.584) 2.117 13.491 ( 0.171 0.307 -0.268) 0.442 14.915 ( -0.323 3.726 0.284) 3.750 15.707 ( 1.352 -3.578 -0.347) 3.841 15.802 ( -2.136 -0.009 1.701) 2.730 16.888 ( 0.135 -0.132 -0.146) 0.239 ======================= Grid point 258 (105/324) ======================= q-point: (-0.21 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 0.235 10.558 1.102) 10.618 2.829 ( -0.807 14.960 -0.903) 15.009 2.957 ( 0.850 2.510 -3.183) 4.142 3.145 ( -0.344 -3.382 3.045) 4.564 3.567 ( -0.428 3.372 -5.566) 6.522 3.908 ( 0.240 4.039 0.045) 4.047 4.146 ( 1.169 -3.893 3.405) 5.303 4.281 ( 0.292 1.729 3.407) 3.832 4.527 ( 0.731 -4.678 -1.368) 4.929 4.623 ( -0.690 2.621 -0.815) 2.830 4.684 ( -0.199 10.978 -1.161) 11.041 4.772 ( 0.465 -3.553 2.128) 4.168 4.978 ( -0.758 3.682 1.811) 4.172 5.275 ( 1.625 3.294 1.831) 4.105 5.413 ( -0.707 4.411 0.903) 4.557 5.515 ( -2.175 -1.114 -3.481) 4.253 5.606 ( -2.670 -0.347 -0.381) 2.719 5.746 ( 4.204 -4.190 1.913) 6.236 5.978 ( 1.411 -3.257 -0.674) 3.613 6.003 ( 0.080 3.969 -3.621) 5.373 6.064 ( -1.840 0.728 1.355) 2.398 6.202 ( -3.005 -3.089 -2.591) 5.029 6.208 ( 3.252 -4.633 2.113) 6.042 6.358 ( 1.154 -2.073 1.546) 2.831 6.583 ( -1.797 5.053 -2.324) 5.845 6.729 ( -0.410 -5.648 -0.331) 5.672 6.939 ( 0.223 0.859 -0.463) 1.001 7.724 ( 0.181 4.902 -1.443) 5.113 7.830 ( 2.005 -1.569 1.294) 2.856 7.892 ( -2.310 4.831 1.151) 5.477 12.413 ( -0.800 -0.654 0.543) 1.167 13.490 ( 0.180 -0.152 -0.019) 0.236 14.878 ( 1.023 0.932 5.039) 5.225 15.762 ( 1.310 -2.256 -3.201) 4.129 15.848 ( -2.743 -5.381 1.148) 6.147 16.949 ( -0.011 -6.231 -0.214) 6.235 ======================= Grid point 259 (106/324) ======================= q-point: (-0.14 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -0.619 17.650 3.638) 18.032 2.456 ( -0.455 22.272 2.362) 22.401 2.826 ( -1.973 9.274 -9.899) 13.707 3.253 ( 0.730 -5.182 7.103) 8.823 3.427 ( -1.836 8.849 -8.304) 12.273 3.777 ( 0.780 9.979 3.555) 10.622 4.156 ( -2.175 2.870 -5.883) 6.898 4.283 ( 4.661 3.570 11.245) 12.686 4.462 ( 0.286 11.706 -0.725) 11.731 4.546 ( -1.064 3.584 -5.341) 6.519 4.604 ( 0.802 -1.314 -0.433) 1.599 4.869 ( 2.107 -0.435 6.884) 7.212 4.877 ( -0.591 1.894 3.739) 4.233 5.283 ( 5.493 1.202 1.086) 5.727 5.297 ( -4.423 4.438 2.261) 6.661 5.505 ( -2.789 0.118 -4.447) 5.250 5.600 ( -2.865 -0.406 -2.113) 3.583 5.839 ( 1.053 -3.793 -2.098) 4.460 5.890 ( 0.472 6.550 -2.615) 7.068 5.999 ( 2.741 1.758 -2.618) 4.178 6.077 ( -3.314 -2.912 1.367) 4.619 6.263 ( -1.313 -5.133 -1.255) 5.445 6.325 ( 2.471 -3.716 0.973) 4.567 6.455 ( 2.044 -2.492 -0.273) 3.235 6.468 ( -0.512 -0.442 3.009) 3.084 6.812 ( -0.059 -1.435 -1.976) 2.443 6.959 ( -1.711 -6.066 -2.072) 6.635 7.615 ( 0.042 6.136 -1.121) 6.237 7.762 ( 0.450 6.136 2.854) 6.782 7.885 ( -0.242 -1.802 0.005) 1.818 12.391 ( -0.266 3.378 -0.036) 3.389 13.499 ( 0.157 -0.689 0.250) 0.749 14.921 ( 2.139 -2.533 9.155) 9.736 15.777 ( -0.459 -0.485 -6.705) 6.738 15.989 ( -1.392 -10.057 1.075) 10.210 17.108 ( -0.514 -10.481 -0.779) 10.523 ======================= Grid point 260 (107/324) ======================= q-point: (-0.07 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -1.850 20.461 6.284) 21.484 2.048 ( 0.965 21.871 8.626) 23.531 2.563 ( -4.665 12.860 -13.797) 19.430 3.141 ( -2.387 17.766 -8.542) 19.857 3.349 ( 1.268 0.603 7.455) 7.586 3.588 ( 1.363 10.370 9.085) 13.854 4.046 ( -1.772 5.526 -5.164) 7.768 4.128 ( -0.335 14.988 2.756) 15.243 4.309 ( 6.158 6.452 2.922) 9.385 4.405 ( -2.041 9.041 -5.861) 10.967 4.579 ( -0.318 2.553 -3.829) 4.613 4.802 ( 1.780 9.048 5.498) 10.736 4.949 ( 1.642 -2.518 9.011) 9.499 5.128 ( -2.417 7.564 1.329) 8.052 5.363 ( 0.306 -2.693 -3.373) 4.327 5.449 ( -1.405 3.421 -3.931) 5.397 5.556 ( -3.293 1.843 -5.850) 6.961 5.789 ( 0.495 2.947 2.986) 4.224 5.890 ( -0.070 -1.668 -1.778) 2.439 5.948 ( 2.502 3.750 -3.564) 5.747 6.127 ( -3.976 -3.769 -0.460) 5.498 6.319 ( 0.321 3.277 -0.498) 3.330 6.364 ( 0.696 -4.957 1.319) 5.177 6.451 ( -0.330 -5.237 -0.317) 5.257 6.651 ( 1.117 -4.842 -0.670) 5.014 6.841 ( 2.677 -7.137 1.309) 7.734 7.129 ( -1.019 -11.372 0.255) 11.420 7.495 ( -0.791 5.562 -1.460) 5.804 7.694 ( 2.123 2.426 2.773) 4.252 7.921 ( -1.035 -2.904 -0.436) 3.114 12.264 ( 0.640 10.566 0.542) 10.599 13.518 ( 0.060 -1.163 0.438) 1.244 15.011 ( 1.690 -1.264 8.848) 9.096 15.755 ( -1.252 -1.153 -8.521) 8.689 16.212 ( 0.423 -13.237 1.699) 13.352 17.322 ( -1.385 -12.833 -1.733) 13.023 ======================= Grid point 265 (108/324) ======================= q-point: ( 0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 6.546 0.000 19.851) 20.902 1.186 ( 15.100 0.000 4.925) 15.883 1.242 ( -8.157 -0.000 -18.139) 19.889 1.902 ( -0.866 -0.000 -5.969) 6.031 2.296 ( 7.763 0.000 13.988) 15.997 2.794 ( -7.835 -0.000 -0.446) 7.848 3.595 ( 2.353 0.000 7.989) 8.328 3.728 ( -2.612 -0.000 -0.090) 2.614 3.841 ( -0.286 -0.000 -5.582) 5.589 3.862 ( -3.895 -0.000 -4.681) 6.090 4.010 ( -3.295 -0.000 -0.791) 3.388 4.081 ( 0.008 0.000 -0.022) 0.024 4.434 ( 3.002 0.000 -6.682) 7.325 4.903 ( -3.707 -0.000 6.962) 7.887 5.306 ( 9.616 0.000 2.747) 10.001 5.431 ( -0.664 -0.000 -0.029) 0.665 5.601 ( -1.315 -0.000 -5.311) 5.471 5.619 ( 0.805 0.000 -0.029) 0.806 5.655 ( 1.646 0.000 8.771) 8.925 5.798 ( -5.966 -0.000 -5.038) 7.808 6.071 ( -6.365 -0.000 -6.812) 9.322 6.620 ( -0.681 -0.000 -1.868) 1.988 6.704 ( -0.128 -0.000 4.070) 4.072 6.944 ( -1.459 -0.000 0.017) 1.459 6.968 ( 0.055 0.000 -0.713) 0.715 7.113 ( 1.420 0.000 0.011) 1.420 7.480 ( -3.419 -0.000 5.863) 6.787 7.792 ( -1.851 -0.000 -7.244) 7.477 8.157 ( 10.297 0.000 1.140) 10.360 8.664 ( 1.095 0.000 -0.485) 1.198 11.121 ( 0.196 0.000 -0.123) 0.232 12.152 ( 0.054 0.000 0.081) 0.097 13.647 ( 1.774 0.000 0.570) 1.864 16.882 ( -4.798 -0.000 -17.604) 18.247 17.336 ( 8.754 0.000 11.193) 14.209 18.004 ( -6.634 -0.000 2.110) 6.961 ======================= Grid point 266 (109/324) ======================= q-point: ( 0.36 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 8.171 2.205 10.140) 13.208 1.222 ( -9.431 -9.332 -7.917) 15.450 1.580 ( 8.653 -25.386 4.786) 27.244 1.992 ( 1.515 -6.670 -2.264) 7.205 2.439 ( 1.573 -13.152 1.862) 13.376 2.926 ( -5.388 -15.836 -0.409) 16.733 3.680 ( -1.786 2.199 0.811) 2.947 3.743 ( -0.473 0.409 1.509) 1.633 3.757 ( -1.438 -9.762 0.415) 9.876 3.994 ( -2.834 -2.527 -2.409) 4.497 4.061 ( -1.025 -15.982 -2.048) 16.145 4.176 ( 0.659 -7.917 0.564) 7.964 4.447 ( 4.380 -1.846 -5.613) 7.355 4.914 ( -4.272 -1.055 7.764) 8.924 5.339 ( 8.127 1.028 3.455) 8.891 5.466 ( -1.385 -2.633 -0.744) 3.067 5.553 ( 1.255 3.659 -0.986) 3.992 5.602 ( 0.857 -0.387 1.890) 2.111 5.745 ( 1.054 -3.761 4.591) 6.027 5.760 ( -4.300 -0.362 -3.496) 5.553 5.998 ( -7.420 2.162 -6.488) 10.091 6.586 ( -2.856 2.058 -2.057) 4.078 6.696 ( 1.181 2.065 2.843) 3.707 6.854 ( 0.300 6.877 -1.384) 7.021 6.893 ( -0.901 7.837 1.427) 8.017 7.169 ( 1.895 -4.193 -0.650) 4.647 7.511 ( -2.299 -3.054 3.732) 5.342 7.712 ( -0.762 5.895 -5.687) 8.227 8.110 ( 7.711 9.270 0.636) 12.075 8.443 ( 1.373 18.404 -0.642) 18.466 11.281 ( 0.315 -15.865 -0.104) 15.868 12.715 ( -3.594 -51.098 -2.042) 51.265 13.641 ( 1.406 1.449 0.273) 2.038 16.654 ( -5.319 15.407 -15.536) 22.517 17.310 ( 10.785 10.090 6.809) 16.263 17.900 ( -5.903 8.065 3.056) 10.451 ======================= Grid point 267 (110/324) ======================= q-point: ( 0.43 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -2.636 -5.208 -1.673) 6.072 1.460 ( -2.425 -17.315 6.121) 18.524 2.073 ( 2.765 -4.535 1.457) 5.508 2.145 ( 1.608 -27.344 -2.392) 27.495 2.825 ( -0.328 -24.334 -2.236) 24.439 3.268 ( -2.636 -21.041 -0.828) 21.222 3.622 ( -2.748 2.226 -1.286) 3.763 3.782 ( -0.853 -5.110 2.602) 5.798 3.826 ( -3.952 -0.332 -2.656) 4.773 4.224 ( -0.027 -19.778 -6.740) 20.895 4.334 ( 1.050 -7.762 1.395) 7.956 4.408 ( 2.098 -17.178 5.116) 18.046 4.554 ( 5.311 -11.099 -2.921) 12.646 4.950 ( -4.723 -2.791 8.222) 9.885 5.376 ( 6.412 -0.370 3.464) 7.297 5.475 ( -0.096 4.560 -2.202) 5.065 5.493 ( -0.993 -1.447 1.514) 2.318 5.633 ( 0.936 -0.485 1.535) 1.862 5.754 ( -1.888 -1.910 -1.069) 2.890 5.805 ( -3.528 -0.502 0.316) 3.578 5.933 ( -2.900 -1.555 -2.823) 4.336 6.513 ( -2.816 3.416 -2.294) 4.986 6.645 ( -0.465 4.895 1.442) 5.124 6.711 ( 1.883 7.544 -1.811) 7.984 6.721 ( -0.060 9.644 1.482) 9.757 7.249 ( 1.598 -2.995 -1.135) 3.580 7.510 ( 1.269 9.781 1.138) 9.928 7.609 ( -1.984 -3.062 -2.637) 4.502 7.919 ( 4.515 12.591 0.751) 13.398 8.115 ( 0.448 15.651 -1.086) 15.695 11.655 ( 0.453 -21.816 -0.656) 21.830 13.593 ( -0.333 -2.699 1.426) 3.071 13.741 ( -3.644 -48.528 -2.069) 48.709 16.230 ( -3.300 21.987 -12.749) 25.629 17.098 ( 8.361 17.915 2.939) 19.987 17.693 ( -3.682 11.737 3.446) 12.775 ======================= Grid point 268 (111/324) ======================= q-point: ( 0.50 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -7.641 -13.593 -3.354) 15.951 1.836 ( 0.452 -20.109 8.403) 21.798 2.174 ( -0.995 -8.421 -6.628) 10.763 2.629 ( 1.896 -21.076 4.196) 21.573 3.230 ( -0.981 -17.153 -3.135) 17.465 3.547 ( -4.430 -3.305 -8.591) 10.215 3.645 ( -0.823 -8.885 4.326) 9.917 3.829 ( -0.767 -10.836 -3.153) 11.311 3.982 ( -0.617 -11.654 5.672) 12.975 4.452 ( 1.543 -6.151 0.804) 6.392 4.544 ( 4.226 -11.305 -9.133) 15.135 4.692 ( 0.822 -15.887 -5.263) 16.756 4.926 ( 2.519 -17.964 11.246) 21.343 5.027 ( -4.183 -6.717 6.686) 10.360 5.368 ( -0.170 5.825 -2.083) 6.189 5.427 ( 3.816 -1.630 2.407) 4.797 5.529 ( -0.395 -1.031 3.493) 3.664 5.606 ( -3.529 1.497 -1.528) 4.127 5.773 ( -0.125 -1.763 -2.608) 3.150 5.825 ( -1.569 -3.823 1.573) 4.422 5.997 ( 0.749 -4.169 0.247) 4.243 6.427 ( -1.849 3.665 -3.008) 5.089 6.493 ( -1.108 9.725 0.221) 9.791 6.552 ( -0.716 7.906 -0.851) 7.984 6.612 ( 2.349 4.658 1.309) 5.378 7.249 ( 1.638 6.224 -1.964) 6.729 7.295 ( -0.081 9.399 -1.224) 9.479 7.680 ( 1.599 -2.801 1.935) 3.761 7.726 ( 1.783 8.642 -1.421) 8.938 7.876 ( -1.650 7.832 0.207) 8.006 12.038 ( 0.401 -17.499 -1.384) 17.559 13.567 ( 0.107 1.874 0.180) 1.885 14.585 ( -2.722 -37.777 1.214) 37.894 15.774 ( -1.945 20.868 -9.718) 23.102 16.758 ( 4.465 20.857 0.935) 21.350 17.463 ( -1.501 12.073 3.083) 12.551 ======================= Grid point 269 (112/324) ======================= q-point: ( 0.57 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -6.852 -18.604 -3.153) 20.075 2.241 ( 0.609 -19.641 6.964) 20.848 2.360 ( -0.389 -13.351 -4.742) 14.173 2.980 ( 1.585 -14.369 5.388) 15.427 3.351 ( -2.582 1.130 -5.665) 6.327 3.576 ( -2.261 -4.519 -3.874) 6.368 3.807 ( -0.126 -10.633 2.026) 10.825 4.156 ( 0.190 -18.356 -1.645) 18.430 4.226 ( 0.205 -12.678 2.526) 12.929 4.544 ( 0.106 -2.588 0.672) 2.676 4.721 ( 7.052 -7.979 -7.301) 12.911 4.914 ( -0.188 -5.526 -3.587) 6.591 5.077 ( -4.472 -2.288 7.004) 8.620 5.242 ( -0.678 0.223 -3.278) 3.355 5.304 ( 0.270 -7.544 5.501) 9.341 5.489 ( 2.505 -2.981 1.099) 4.045 5.506 ( -5.695 -0.588 -0.577) 5.754 5.633 ( 1.657 -2.775 4.330) 5.403 5.841 ( 2.835 -5.046 -1.089) 5.890 5.895 ( -0.586 -3.235 0.117) 3.290 6.071 ( 0.721 -3.084 0.531) 3.211 6.300 ( -1.983 9.283 0.016) 9.492 6.345 ( 0.326 4.304 -2.110) 4.805 6.419 ( -0.673 5.516 -0.024) 5.557 6.569 ( 1.439 0.493 1.796) 2.353 7.042 ( 2.189 11.682 -3.338) 12.345 7.141 ( -1.287 9.457 0.742) 9.573 7.603 ( 1.538 3.510 0.492) 3.864 7.743 ( -0.906 -3.095 -2.539) 4.105 7.830 ( -0.340 -1.776 2.732) 3.276 12.283 ( 0.162 -8.582 -1.053) 8.648 13.536 ( -0.017 1.345 -0.125) 1.350 15.115 ( -2.856 -18.496 -2.641) 18.901 15.419 ( 0.356 12.112 -2.391) 12.351 16.391 ( 1.584 19.054 0.592) 19.129 17.250 ( -0.374 10.683 2.211) 10.916 ======================= Grid point 270 (113/324) ======================= q-point: (-0.36 -0.71 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -3.358 -19.827 -2.235) 20.233 2.596 ( -1.064 -17.154 1.507) 17.253 2.640 ( 1.972 -15.059 2.044) 15.325 3.233 ( 0.216 -9.877 3.979) 10.651 3.252 ( -0.624 4.360 -4.111) 6.025 3.653 ( -0.098 -4.925 0.297) 4.935 4.020 ( 0.003 -10.175 1.953) 10.361 4.410 ( -1.773 -9.658 -7.659) 12.453 4.465 ( 1.983 -9.354 0.018) 9.562 4.555 ( -0.416 0.598 0.692) 1.005 4.861 ( 4.011 4.880 0.590) 6.345 4.862 ( 0.397 -2.740 -4.927) 5.651 5.042 ( -1.636 4.365 0.827) 4.734 5.241 ( -4.473 -3.261 1.412) 5.713 5.430 ( -2.862 -4.597 -3.231) 6.305 5.512 ( 0.320 -0.716 0.307) 0.842 5.562 ( 0.781 -2.461 2.356) 3.496 5.707 ( 2.983 -2.149 5.385) 6.521 5.911 ( 1.302 1.981 0.770) 2.492 5.961 ( 0.033 -5.982 -0.753) 6.030 6.119 ( -0.089 -1.515 -0.131) 1.523 6.154 ( -1.067 4.469 0.668) 4.643 6.259 ( 0.642 4.401 -0.465) 4.471 6.349 ( 0.853 2.224 2.947) 3.789 6.608 ( 0.252 -2.236 -3.640) 4.279 6.845 ( 0.865 7.863 -1.756) 8.103 6.978 ( -0.624 6.673 3.181) 7.418 7.606 ( 0.487 -2.639 0.474) 2.725 7.787 ( -0.870 -2.741 -2.813) 4.022 7.895 ( 0.069 -3.527 2.597) 4.381 12.372 ( -0.128 -1.795 0.516) 1.872 13.515 ( 0.006 0.918 -0.353) 0.983 15.104 ( -3.450 6.301 -9.585) 11.979 15.483 ( 2.149 -8.481 6.272) 10.764 16.079 ( -0.063 14.169 1.044) 14.208 17.071 ( 0.025 8.577 1.121) 8.650 ======================= Grid point 271 (114/324) ======================= q-point: (-0.29 -0.71 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -0.285 -16.953 -1.037) 16.987 2.885 ( 1.219 -9.672 0.547) 9.763 2.899 ( -0.135 -12.867 1.623) 12.970 3.122 ( -0.975 5.999 -0.942) 6.151 3.443 ( 1.881 -8.875 3.523) 9.732 3.766 ( 0.579 -6.610 1.159) 6.735 4.170 ( -0.048 -3.566 1.121) 3.738 4.396 ( -1.714 4.261 -7.354) 8.670 4.510 ( 0.392 5.310 -1.516) 5.536 4.588 ( -0.016 -4.024 -2.816) 4.912 4.790 ( 1.343 1.358 3.467) 3.958 4.911 ( -2.973 -2.296 -1.296) 3.974 4.975 ( 2.184 3.332 -1.372) 4.214 5.286 ( -6.919 -4.301 -2.354) 8.480 5.465 ( -0.345 -1.721 -2.085) 2.725 5.513 ( 0.366 1.380 0.663) 1.574 5.601 ( 3.104 -0.188 3.193) 4.457 5.750 ( 4.547 1.430 5.940) 7.616 5.875 ( -0.704 0.250 -0.004) 0.747 6.037 ( -1.714 -2.153 0.246) 2.763 6.091 ( -0.275 1.454 -1.299) 1.969 6.151 ( 0.209 -0.919 -0.085) 0.946 6.197 ( 0.659 2.570 1.009) 2.838 6.350 ( 2.852 0.481 4.455) 5.311 6.572 ( -2.955 1.041 -7.268) 7.914 6.760 ( -0.800 3.264 -2.582) 4.238 6.935 ( 1.246 -0.510 5.303) 5.471 7.683 ( 0.766 -4.451 0.933) 4.612 7.815 ( 0.113 -0.770 -1.819) 1.978 7.956 ( -1.068 -2.142 1.405) 2.775 12.385 ( -0.444 -0.025 1.815) 1.868 13.500 ( 0.083 0.587 -0.415) 0.724 14.976 ( -1.790 3.819 -5.036) 6.569 15.631 ( 1.354 -5.182 3.241) 6.260 15.873 ( -0.894 7.642 1.452) 7.830 16.939 ( 0.081 5.308 0.190) 5.312 ======================= Grid point 272 (115/324) ======================= q-point: (-0.21 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 0.302 -6.183 -0.311) 6.199 2.957 ( -0.126 1.623 -1.339) 2.108 3.010 ( 0.397 1.292 0.502) 1.442 3.101 ( 0.370 -2.597 1.429) 2.987 3.578 ( 1.300 -2.629 0.363) 2.955 3.888 ( -0.497 -4.835 0.036) 4.861 4.123 ( -0.232 2.369 -0.490) 2.431 4.359 ( 1.319 4.384 1.464) 4.807 4.434 ( -0.689 -3.203 -1.446) 3.581 4.634 ( -0.503 -1.651 -1.467) 2.265 4.756 ( -0.105 1.835 -0.113) 1.842 4.859 ( -2.994 7.573 -1.305) 8.247 4.973 ( 1.405 -2.473 0.429) 2.877 5.326 ( -4.003 -2.323 -2.122) 5.091 5.454 ( 0.196 3.034 1.226) 3.279 5.499 ( 0.553 -0.307 -0.649) 0.906 5.611 ( 1.911 1.325 1.833) 2.961 5.747 ( 3.820 1.177 4.222) 5.813 5.912 ( 0.942 -3.508 -0.749) 3.709 6.032 ( -1.450 0.754 -2.276) 2.802 6.079 ( -0.020 0.262 -0.199) 0.330 6.150 ( -4.064 -0.177 -0.826) 4.151 6.185 ( 4.080 -0.133 2.658) 4.872 6.354 ( 1.336 0.584 1.661) 2.210 6.583 ( -2.167 -3.592 -2.053) 4.670 6.679 ( -1.882 2.622 -3.664) 4.882 6.965 ( 1.188 0.305 2.062) 2.399 7.768 ( 0.610 -2.925 1.164) 3.206 7.803 ( 1.103 1.312 -1.038) 2.004 7.959 ( -1.677 1.733 0.835) 2.552 12.393 ( -0.840 -0.769 1.567) 1.937 13.491 ( 0.172 0.222 -0.265) 0.386 14.915 ( -0.190 1.548 0.299) 1.588 15.715 ( 0.536 -2.823 -0.035) 2.873 15.794 ( -1.366 0.703 1.388) 2.070 16.888 ( 0.042 -0.112 -0.154) 0.195 ======================= Grid point 273 (116/324) ======================= q-point: (-0.14 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -1.517 10.006 1.270) 10.200 2.820 ( -0.098 14.913 -0.984) 14.946 2.945 ( 0.382 5.418 -3.146) 6.277 3.155 ( -0.973 -5.339 2.923) 6.164 3.534 ( -0.332 5.516 -5.438) 7.753 3.905 ( -1.161 2.849 0.004) 3.076 4.158 ( 0.004 -1.261 -0.359) 1.311 4.322 ( 1.835 -1.429 7.235) 7.600 4.529 ( 0.828 -5.209 -0.639) 5.313 4.610 ( -0.907 3.769 -0.913) 3.983 4.675 ( -0.539 9.899 -0.702) 9.939 4.787 ( 0.315 -5.038 1.782) 5.353 4.984 ( 0.436 2.841 1.389) 3.192 5.303 ( 0.525 2.385 1.214) 2.727 5.407 ( -0.061 2.846 0.587) 2.906 5.494 ( 0.332 1.160 0.079) 1.209 5.586 ( -1.388 0.935 -0.364) 1.713 5.778 ( 1.760 -2.176 -1.238) 3.060 5.957 ( -1.207 0.623 -4.279) 4.490 6.009 ( 2.858 -0.229 -2.331) 3.695 6.062 ( -1.101 1.403 2.646) 3.191 6.162 ( -2.781 -3.602 -2.135) 5.027 6.255 ( 3.483 -4.431 3.582) 6.678 6.375 ( 0.694 -2.587 1.939) 3.306 6.546 ( -2.862 4.173 -3.030) 5.898 6.724 ( -0.299 -6.336 0.241) 6.347 6.934 ( 0.056 2.747 -2.249) 3.551 7.724 ( 0.524 5.169 0.290) 5.204 7.844 ( 0.015 -2.538 -0.443) 2.577 7.885 ( -0.358 5.353 1.649) 5.613 12.407 ( -0.995 -0.514 0.417) 1.195 13.492 ( 0.250 -0.227 0.006) 0.338 14.920 ( 1.371 -0.985 6.065) 6.296 15.743 ( -1.316 -0.900 -3.779) 4.102 15.837 ( -0.764 -5.435 0.987) 5.577 16.947 ( -0.148 -6.031 -0.254) 6.038 ======================= Grid point 274 (117/324) ======================= q-point: (-0.07 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -3.070 16.959 4.130) 17.722 2.469 ( 0.416 20.539 2.649) 20.713 2.755 ( -2.346 12.016 -8.995) 15.192 3.272 ( -2.188 -2.901 1.795) 4.053 3.383 ( -0.421 6.371 -3.147) 7.118 3.796 ( -0.868 7.953 3.210) 8.620 4.100 ( -2.837 3.973 -5.835) 7.608 4.370 ( 1.700 7.205 8.359) 11.166 4.464 ( 1.334 6.483 -0.187) 6.622 4.514 ( 0.081 4.265 -4.468) 6.177 4.634 ( 4.100 1.239 3.466) 5.510 4.890 ( -0.223 0.958 2.837) 3.003 4.919 ( 1.514 -2.653 4.951) 5.818 5.259 ( -5.703 4.436 0.648) 7.254 5.357 ( 8.695 2.451 1.771) 9.206 5.460 ( -2.302 1.324 -2.254) 3.483 5.568 ( -1.676 0.696 -1.903) 2.629 5.809 ( -1.068 -0.970 -7.426) 7.565 5.893 ( 0.059 2.759 0.493) 2.803 6.006 ( 1.620 1.859 -2.056) 3.210 6.060 ( -1.775 -1.373 1.172) 2.531 6.242 ( -1.957 -6.140 -0.930) 6.511 6.343 ( 0.504 -2.432 0.320) 2.504 6.439 ( -1.607 3.412 -2.687) 4.630 6.520 ( 4.219 -8.842 6.104) 11.543 6.799 ( 0.171 0.284 -2.956) 2.975 6.933 ( -1.247 -7.122 -1.954) 7.490 7.611 ( -0.113 6.677 -0.458) 6.693 7.779 ( 0.448 4.975 2.399) 5.541 7.884 ( 0.018 -1.280 -0.147) 1.288 12.388 ( -0.410 2.878 -0.060) 2.908 13.502 ( 0.265 -0.704 0.266) 0.798 14.996 ( 2.524 -3.483 10.559) 11.401 15.717 ( -3.822 0.639 -7.701) 8.621 15.992 ( 0.865 -10.492 0.804) 10.558 17.097 ( -0.748 -9.926 -0.834) 9.989 ======================= Grid point 280 (118/324) ======================= q-point: ( 0.36 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -8.481 -0.000 -7.716) 11.466 1.249 ( 7.402 0.000 13.182) 15.118 1.313 ( 10.527 0.000 -2.553) 10.832 1.895 ( 1.472 0.000 3.130) 3.459 2.354 ( 0.540 0.000 -7.286) 7.306 2.723 ( -6.870 -0.000 -0.382) 6.881 3.618 ( -0.944 -0.000 -2.658) 2.820 3.715 ( -1.279 -0.000 1.051) 1.655 3.835 ( -1.374 -0.000 3.126) 3.414 3.836 ( 1.744 0.000 1.998) 2.652 3.962 ( -3.434 -0.000 -3.308) 4.768 4.081 ( 0.009 0.000 -0.022) 0.024 4.443 ( 4.617 0.000 -2.932) 5.470 4.906 ( -4.316 -0.000 8.257) 9.317 5.402 ( 5.995 0.000 2.888) 6.654 5.425 ( -0.484 -0.000 0.031) 0.485 5.584 ( 3.101 0.000 -2.105) 3.748 5.625 ( 0.625 0.000 0.031) 0.625 5.711 ( -0.949 -0.000 3.566) 3.690 5.750 ( 0.675 0.000 4.581) 4.630 5.965 ( -8.786 -0.000 -6.694) 11.046 6.585 ( -2.900 -0.000 -2.963) 4.147 6.728 ( 0.747 0.000 2.129) 2.256 6.933 ( -1.042 -0.000 0.002) 1.042 6.964 ( 0.254 0.000 -2.511) 2.524 7.124 ( 1.001 0.000 -0.011) 1.001 7.463 ( -3.313 -0.000 0.993) 3.459 7.762 ( 0.582 0.000 -2.773) 2.833 8.233 ( 6.409 0.000 -1.656) 6.620 8.667 ( 0.818 0.000 -1.556) 1.758 11.122 ( 0.194 0.000 0.014) 0.195 12.152 ( 0.016 0.000 -0.023) 0.029 13.663 ( 1.342 0.000 0.117) 1.347 16.724 ( -6.196 -0.000 -21.082) 21.974 17.480 ( 11.038 0.000 7.232) 13.196 17.962 ( -6.380 -0.000 4.930) 8.063 ======================= Grid point 281 (119/324) ======================= q-point: ( 0.43 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -4.454 -2.442 -13.012) 13.968 1.269 ( 5.304 -3.597 18.146) 19.244 1.640 ( 2.313 -24.059 -2.660) 24.316 2.010 ( 2.335 -4.873 2.314) 5.878 2.409 ( -2.288 -14.257 -10.102) 17.622 2.880 ( -3.812 -17.047 -0.937) 17.493 3.661 ( -2.604 3.430 -3.485) 5.540 3.713 ( -2.989 -8.175 -7.390) 11.418 3.768 ( 1.034 -0.101 7.661) 7.731 3.939 ( -1.979 -4.273 -6.411) 7.954 4.101 ( 2.600 -15.993 10.779) 19.460 4.180 ( 0.024 -8.532 -0.098) 8.532 4.471 ( 5.100 -1.689 -1.980) 5.725 4.918 ( -4.250 -0.987 8.775) 9.799 5.418 ( 3.855 0.638 2.701) 4.750 5.437 ( -1.656 -1.152 -1.792) 2.698 5.561 ( 1.079 2.769 -1.643) 3.396 5.644 ( 3.777 -0.668 4.805) 6.148 5.726 ( -0.618 -0.972 0.077) 1.155 5.790 ( 1.989 -0.676 6.828) 7.144 5.892 ( -7.881 0.648 -5.560) 9.666 6.545 ( -2.477 1.987 -3.528) 4.747 6.713 ( -0.020 2.252 1.022) 2.473 6.848 ( 0.104 6.925 -2.502) 7.364 6.885 ( -1.154 6.780 -0.555) 6.900 7.182 ( 1.551 -4.241 -0.717) 4.573 7.498 ( -1.986 -4.266 0.565) 4.739 7.696 ( 1.064 6.594 -1.841) 6.929 8.158 ( 3.789 9.448 -2.381) 10.454 8.448 ( 1.016 18.233 -1.457) 18.319 11.282 ( 0.185 -15.820 -0.278) 15.823 12.688 ( -1.460 -49.217 0.267) 49.239 13.651 ( 0.792 1.654 -0.234) 1.849 16.509 ( -4.420 13.150 -21.500) 25.588 17.435 ( 9.106 11.490 4.965) 15.478 17.875 ( -4.799 7.537 6.109) 10.824 ======================= Grid point 282 (120/324) ======================= q-point: ( 0.50 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -5.085 -4.875 -9.394) 11.742 1.532 ( 2.826 -15.244 16.885) 22.924 1.987 ( -6.123 -9.073 -15.652) 19.100 2.217 ( 4.542 -22.434 5.667) 23.581 2.800 ( -0.521 -24.905 -3.356) 25.135 3.245 ( -1.304 -21.378 -0.999) 21.441 3.573 ( -3.437 1.936 -6.758) 7.825 3.753 ( -1.374 -0.765 -6.067) 6.267 3.849 ( 1.510 -5.032 11.626) 12.758 4.162 ( -1.719 -20.158 -11.205) 23.127 4.342 ( -0.224 -7.882 0.397) 7.895 4.458 ( 2.576 -12.864 3.330) 13.535 4.614 ( 5.514 -14.995 6.238) 17.151 4.955 ( -4.163 -2.491 9.166) 10.371 5.409 ( -3.807 0.759 -3.777) 5.416 5.441 ( 3.302 1.206 0.064) 3.516 5.541 ( 2.264 -0.466 5.609) 6.067 5.648 ( -0.652 3.177 -0.897) 3.365 5.744 ( 1.327 -0.699 0.550) 1.597 5.783 ( -2.002 -0.218 4.481) 4.913 5.918 ( 0.422 -4.337 0.333) 4.371 6.474 ( -1.937 3.220 -4.258) 5.679 6.642 ( -0.953 5.638 0.470) 5.738 6.685 ( -1.500 8.293 -4.857) 9.727 6.746 ( 1.325 7.244 1.522) 7.520 7.256 ( 1.253 -2.572 -1.195) 3.100 7.521 ( 1.017 11.185 -0.142) 11.232 7.586 ( -0.988 -4.695 -1.400) 4.998 7.943 ( 1.118 11.943 -1.142) 12.050 8.116 ( 0.902 16.259 -1.023) 16.316 11.653 ( 0.116 -21.698 -1.342) 21.740 13.595 ( -0.876 -4.255 1.248) 4.520 13.724 ( 0.215 -46.821 1.285) 46.839 16.119 ( -2.371 19.569 -18.724) 27.187 17.173 ( 4.945 19.727 2.202) 20.456 17.692 ( -2.012 11.357 5.868) 12.941 ======================= Grid point 283 (121/324) ======================= q-point: (-0.43 -0.64 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -5.456 -13.913 -6.615) 16.343 1.908 ( 1.078 -18.278 12.953) 22.428 2.096 ( -3.172 -11.313 -12.266) 16.985 2.680 ( 2.320 -20.783 5.806) 21.703 3.201 ( -0.884 -16.419 -3.512) 16.814 3.455 ( -3.536 -2.198 -11.567) 12.294 3.668 ( 0.755 -10.577 4.086) 11.364 3.810 ( 0.605 -12.313 -3.403) 12.789 4.032 ( 1.864 -9.729 9.880) 13.991 4.461 ( -0.225 -6.558 -0.010) 6.562 4.516 ( 1.133 -16.490 -10.603) 19.637 4.669 ( 1.109 -12.584 -5.707) 13.862 4.996 ( -1.948 -9.569 10.566) 14.387 5.041 ( -0.811 -11.861 8.360) 14.534 5.335 ( -2.529 3.459 -2.584) 5.004 5.448 ( -1.145 -1.155 -1.353) 2.116 5.543 ( -0.076 4.685 0.951) 4.781 5.612 ( 3.368 -2.403 5.452) 6.844 5.775 ( 1.739 -1.859 0.009) 2.546 5.832 ( 0.531 -3.413 3.089) 4.634 6.006 ( 0.681 -4.215 0.841) 4.352 6.392 ( -1.466 3.236 -4.779) 5.955 6.485 ( -0.603 9.560 -0.369) 9.586 6.526 ( -1.645 6.632 -2.787) 7.380 6.646 ( 1.769 4.818 2.565) 5.737 7.250 ( 0.954 5.056 -2.283) 5.630 7.294 ( 1.010 11.550 -0.653) 11.612 7.638 ( -4.775 -1.380 -4.941) 7.008 7.782 ( 4.690 6.016 4.137) 8.677 7.863 ( -1.037 8.245 -0.248) 8.314 12.030 ( 0.049 -17.568 -2.102) 17.693 13.566 ( -0.289 1.875 -0.147) 1.903 14.588 ( 0.554 -37.007 3.628) 37.189 15.697 ( -1.047 18.427 -13.715) 22.994 16.790 ( 1.608 21.869 0.727) 21.940 17.475 ( -0.333 12.230 4.532) 13.047 ======================= Grid point 284 (122/324) ======================= q-point: (-0.36 -0.64 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -2.241 -19.723 -4.631) 20.383 2.254 ( -4.332 -17.574 -0.504) 18.107 2.356 ( 3.377 -16.692 3.540) 17.394 3.033 ( 2.351 -13.903 6.950) 15.720 3.294 ( -1.692 1.582 -7.892) 8.225 3.532 ( -1.252 -8.517 -6.379) 10.715 3.837 ( 2.581 -8.859 4.821) 10.411 4.132 ( -1.778 -16.864 -2.606) 17.156 4.267 ( 3.323 -11.657 4.646) 12.982 4.542 ( -1.063 -2.630 0.398) 2.864 4.735 ( 4.711 -8.402 -7.838) 12.419 4.884 ( -1.352 -7.978 -5.914) 10.022 5.056 ( -6.637 -1.269 5.619) 8.788 5.206 ( -3.588 0.261 -2.738) 4.521 5.328 ( -0.353 -3.921 4.543) 6.011 5.465 ( -1.304 -3.456 0.304) 3.706 5.527 ( 3.308 -1.431 1.357) 3.851 5.690 ( 3.288 -2.109 6.653) 7.715 5.836 ( -1.313 -4.769 -1.802) 5.264 5.917 ( 3.039 -3.573 1.826) 5.034 6.078 ( -0.007 -2.776 0.693) 2.861 6.273 ( -2.201 7.936 -1.994) 8.473 6.348 ( 1.756 4.411 -0.824) 4.818 6.410 ( -0.782 4.102 -0.249) 4.183 6.601 ( 2.274 1.385 3.200) 4.162 7.039 ( 1.328 12.385 -3.763) 13.012 7.128 ( -1.937 8.729 0.209) 8.944 7.591 ( -2.825 0.824 -1.590) 3.345 7.741 ( 1.804 0.245 -1.113) 2.134 7.844 ( 0.109 -2.621 2.918) 3.924 12.277 ( 0.060 -8.975 -1.341) 9.075 13.534 ( -0.245 1.311 -0.308) 1.368 15.070 ( -2.390 -11.114 -4.994) 12.417 15.423 ( 2.615 4.068 -1.284) 5.004 16.401 ( -0.136 19.368 0.594) 19.377 17.263 ( 0.226 11.098 2.931) 11.481 ======================= Grid point 285 (123/324) ======================= q-point: (-0.29 -0.64 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 1.103 -20.794 -2.826) 21.015 2.579 ( -2.970 -18.864 -0.409) 19.101 2.684 ( 3.024 -13.881 5.376) 15.190 3.202 ( -1.678 3.632 -4.890) 6.318 3.289 ( 3.192 -9.767 4.706) 11.301 3.661 ( 1.610 -6.246 -0.646) 6.482 4.038 ( 1.066 -9.372 3.638) 10.110 4.349 ( -1.651 -7.784 -8.294) 11.494 4.485 ( 2.228 -7.238 0.139) 7.575 4.551 ( -1.343 0.495 0.484) 1.511 4.832 ( -0.813 -1.654 -5.036) 5.363 4.892 ( 1.510 2.693 -1.130) 3.288 5.028 ( -1.521 1.874 1.301) 2.742 5.179 ( -8.068 -2.092 -1.141) 8.413 5.403 ( 0.248 -3.443 -1.859) 3.921 5.525 ( 1.107 -0.949 1.092) 1.821 5.590 ( 2.352 -2.940 2.454) 4.494 5.763 ( 2.306 -2.714 5.150) 6.262 5.897 ( -3.358 -1.048 0.787) 3.604 5.988 ( 4.336 -1.819 0.963) 4.799 6.097 ( -3.218 0.029 -1.279) 3.463 6.157 ( 0.564 2.397 0.505) 2.514 6.271 ( 1.876 4.216 0.312) 4.625 6.378 ( 1.621 0.190 3.122) 3.523 6.593 ( 0.453 2.664 -3.314) 4.277 6.837 ( -0.203 6.962 -1.784) 7.189 6.984 ( -1.381 4.887 2.605) 5.708 7.610 ( -0.122 -3.424 0.370) 3.446 7.771 ( 0.083 -2.789 -1.904) 3.378 7.906 ( -0.382 -2.839 1.857) 3.414 12.375 ( 0.047 -2.177 0.605) 2.260 13.512 ( -0.127 0.860 -0.444) 0.976 15.020 ( -3.197 4.281 -9.969) 11.311 15.542 ( 3.334 -6.895 5.841) 9.632 16.081 ( -0.791 14.197 1.095) 14.261 17.079 ( 0.238 9.024 1.358) 9.129 ======================= Grid point 286 (124/324) ======================= q-point: (-0.21 -0.64 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 2.264 -17.180 -1.180) 17.368 2.902 ( -0.085 -12.253 1.656) 12.365 2.904 ( 0.569 -8.796 1.079) 8.880 3.109 ( -0.483 3.625 -0.977) 3.785 3.487 ( 2.868 -7.822 4.271) 9.362 3.785 ( 2.131 -5.884 1.135) 6.360 4.175 ( -0.200 -1.252 0.989) 1.608 4.332 ( -2.188 1.029 -8.837) 9.162 4.511 ( 1.047 4.501 -1.055) 4.740 4.574 ( -0.258 -3.144 -1.941) 3.704 4.803 ( -1.411 2.373 1.341) 3.069 4.869 ( -4.050 -1.129 -1.259) 4.389 5.001 ( 3.285 2.174 0.461) 3.966 5.210 ( -5.655 -4.800 -2.478) 7.821 5.452 ( -0.059 -2.597 -2.034) 3.300 5.522 ( 0.451 1.488 1.251) 1.995 5.649 ( 2.662 -0.635 3.361) 4.334 5.821 ( 3.729 1.652 5.407) 6.773 5.863 ( -1.386 -0.524 -0.932) 1.751 6.025 ( -0.333 -0.439 -0.436) 0.702 6.084 ( 0.051 0.378 -1.041) 1.109 6.133 ( -2.722 0.410 0.009) 2.753 6.231 ( 3.531 1.760 2.543) 4.694 6.402 ( 2.856 1.845 4.035) 5.277 6.509 ( -3.202 -0.285 -5.123) 6.048 6.733 ( -1.238 4.673 -3.480) 5.957 6.965 ( 0.289 -0.941 3.256) 3.401 7.695 ( 0.726 -4.637 0.554) 4.726 7.815 ( 0.994 -1.294 0.204) 1.644 7.947 ( -1.790 -1.635 0.134) 2.428 12.392 ( -0.262 0.097 1.893) 1.914 13.498 ( 0.014 0.487 -0.443) 0.659 14.931 ( -1.706 1.554 -5.408) 5.879 15.664 ( 1.617 -3.583 3.380) 5.184 15.873 ( -0.785 7.697 1.455) 7.873 16.941 ( 0.075 5.559 0.207) 5.564 ======================= Grid point 287 (125/324) ======================= q-point: (-0.14 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 0.269 -5.132 -0.333) 5.150 2.952 ( 0.623 0.426 -1.120) 1.351 3.017 ( 0.061 1.649 1.410) 2.170 3.108 ( -0.111 -1.033 0.274) 1.075 3.591 ( 1.323 0.070 -0.345) 1.369 3.886 ( -0.253 -3.275 0.496) 3.322 4.120 ( -0.045 -0.237 0.040) 0.245 4.371 ( 0.460 0.388 -0.723) 0.941 4.423 ( -0.242 -1.007 -0.480) 1.141 4.625 ( 0.283 -2.493 -1.045) 2.718 4.752 ( -0.872 1.820 -0.126) 2.022 4.816 ( -4.346 5.125 -0.238) 6.724 5.005 ( 4.058 -0.272 0.389) 4.086 5.272 ( -4.599 -3.999 -1.284) 6.229 5.475 ( 1.451 2.280 1.823) 3.261 5.500 ( 0.306 -0.583 -0.073) 0.662 5.644 ( 2.405 3.157 2.424) 4.650 5.781 ( -0.015 2.184 1.114) 2.452 5.915 ( 1.627 -2.960 -3.028) 4.536 6.013 ( 0.471 0.414 -2.427) 2.507 6.079 ( 0.217 -0.138 -0.323) 0.413 6.113 ( -3.669 0.314 0.647) 3.738 6.242 ( 3.852 -0.232 4.291) 5.771 6.362 ( -1.000 0.878 0.879) 1.595 6.564 ( -0.904 -2.345 -0.476) 2.558 6.643 ( -1.187 0.844 -3.108) 3.432 6.976 ( 0.183 1.171 -0.235) 1.208 7.777 ( 0.140 -2.937 0.321) 2.958 7.815 ( 1.480 1.835 1.113) 2.607 7.946 ( -1.554 1.120 -0.073) 1.917 12.394 ( -0.867 -0.261 1.501) 1.753 13.491 ( 0.166 0.092 -0.271) 0.331 14.915 ( -0.076 -0.936 0.364) 1.007 15.714 ( -0.748 -1.112 0.021) 1.341 15.794 ( -0.106 0.877 1.340) 1.605 16.887 ( -0.014 -0.070 -0.162) 0.177 ======================= Grid point 288 (126/324) ======================= q-point: (-0.07 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -3.235 9.901 1.183) 10.483 2.818 ( 0.761 14.779 -0.739) 14.817 2.930 ( -0.171 8.411 -2.932) 8.909 3.158 ( -1.505 -6.738 2.463) 7.330 3.503 ( -0.553 6.952 -4.645) 8.379 3.885 ( -2.726 2.543 -0.635) 3.781 4.152 ( -0.071 2.080 -1.021) 2.318 4.379 ( 2.052 -4.555 6.144) 7.919 4.536 ( 0.657 -5.951 0.502) 6.008 4.604 ( 0.096 5.412 0.600) 5.446 4.671 ( 0.237 6.076 0.096) 6.082 4.797 ( 0.637 -5.792 0.473) 5.846 4.999 ( 1.413 3.437 0.756) 3.792 5.282 ( -4.273 0.835 0.390) 4.372 5.437 ( 3.215 2.189 2.616) 4.687 5.514 ( 2.316 1.238 1.505) 3.027 5.578 ( 0.231 3.600 -0.144) 3.611 5.763 ( -0.936 -0.817 -5.488) 5.627 5.927 ( -0.745 1.056 -2.939) 3.211 6.019 ( 2.140 -0.583 -2.439) 3.297 6.067 ( -1.009 1.446 2.620) 3.158 6.130 ( -1.974 -3.993 -1.465) 4.689 6.295 ( 0.936 -2.474 1.903) 3.259 6.400 ( 1.585 -4.397 2.770) 5.433 6.504 ( -2.278 3.020 -1.807) 4.192 6.730 ( 0.838 -6.342 1.335) 6.535 6.915 ( -0.502 4.071 -4.092) 5.794 7.729 ( -0.445 5.654 0.589) 5.702 7.836 ( -0.430 -1.014 -0.064) 1.103 7.897 ( 0.900 3.199 1.065) 3.490 12.400 ( -1.140 -0.350 0.414) 1.262 13.494 ( 0.295 -0.335 -0.015) 0.447 14.966 ( 1.404 -3.188 6.119) 7.041 15.702 ( -2.933 0.975 -3.855) 4.941 15.842 ( 0.484 -5.538 0.949) 5.640 16.943 ( -0.221 -5.781 -0.258) 5.791 ======================= Grid point 295 (127/324) ======================= q-point: ( 0.43 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -4.094 -0.000 -5.199) 6.617 1.347 ( 3.707 0.000 -8.833) 9.579 1.381 ( 4.192 0.000 16.077) 16.614 1.962 ( 3.851 0.000 11.401) 12.034 2.238 ( -5.805 -0.000 -24.758) 25.429 2.670 ( -3.968 -0.000 -0.242) 3.975 3.560 ( -3.168 -0.000 -10.070) 10.557 3.678 ( -3.681 -0.000 -7.687) 8.523 3.851 ( -0.206 -0.000 0.148) 0.253 3.883 ( 2.509 0.000 6.379) 6.855 3.967 ( 2.423 0.000 12.401) 12.636 4.081 ( 0.011 0.000 -0.022) 0.024 4.482 ( 4.983 0.000 0.384) 4.998 4.915 ( -4.044 -0.000 9.316) 10.156 5.422 ( -0.243 -0.000 0.085) 0.257 5.432 ( -0.078 -0.000 0.232) 0.244 5.612 ( 1.910 0.000 -0.641) 2.014 5.630 ( 0.349 0.000 0.085) 0.360 5.734 ( 4.027 0.000 6.991) 8.068 5.830 ( 6.023 0.000 8.292) 10.249 5.843 ( -9.872 -0.000 -5.445) 11.275 6.544 ( -1.625 -0.000 -4.323) 4.618 6.734 ( -0.731 -0.000 0.236) 0.769 6.925 ( -0.548 -0.000 -0.014) 0.548 6.937 ( -1.344 -0.000 -6.198) 6.342 7.131 ( 0.511 0.000 -0.032) 0.512 7.447 ( -0.574 -0.000 0.808) 0.991 7.762 ( 1.240 0.000 -0.887) 1.524 8.256 ( 2.416 0.000 -4.789) 5.364 8.662 ( 0.440 0.000 -2.500) 2.539 11.124 ( 0.159 0.000 0.144) 0.214 12.152 ( -0.026 -0.000 -0.122) 0.124 13.670 ( 0.409 0.000 -0.624) 0.746 16.548 ( -3.823 -0.000 -27.003) 27.272 17.605 ( 8.134 0.000 5.990) 10.102 17.946 ( -4.521 -0.000 7.996) 9.186 ======================= Grid point 296 (128/324) ======================= q-point: (-0.50 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -4.395 -1.173 -8.588) 9.719 1.423 ( 6.996 -4.409 17.679) 19.517 1.596 ( -5.314 -20.153 -7.104) 22.019 2.021 ( -0.354 -1.695 -8.328) 8.506 2.337 ( -0.888 -20.898 -4.278) 21.349 2.850 ( -1.364 -17.848 -0.812) 17.918 3.590 ( -3.949 3.047 -10.805) 11.901 3.626 ( -3.775 -8.910 -12.559) 15.854 3.835 ( 2.030 -0.937 6.830) 7.186 3.910 ( 0.900 -2.395 0.226) 2.568 4.172 ( 0.084 -8.932 -0.354) 8.939 4.206 ( 3.133 -14.598 14.894) 21.089 4.515 ( 4.967 -1.683 1.026) 5.344 4.932 ( -3.690 -0.980 9.696) 10.420 5.399 ( -2.442 0.954 -1.484) 3.012 5.465 ( 1.632 -1.526 1.805) 2.872 5.553 ( -0.435 2.522 -1.645) 3.042 5.674 ( -1.635 -0.378 0.368) 1.718 5.766 ( 2.258 0.185 3.548) 4.210 5.794 ( -2.875 -0.037 3.000) 4.156 5.880 ( 6.353 -0.258 6.039) 8.769 6.506 ( -0.986 2.110 -5.108) 5.614 6.708 ( -1.308 2.269 -0.514) 2.669 6.818 ( -1.681 7.447 -6.231) 9.855 6.873 ( -0.516 5.361 -0.466) 5.406 7.187 ( 0.579 -4.333 -0.911) 4.466 7.493 ( -0.177 -3.933 1.334) 4.157 7.703 ( 1.799 6.602 -0.826) 6.893 8.154 ( -0.039 9.449 -5.460) 10.914 8.445 ( 0.423 17.683 -2.036) 17.805 11.281 ( 0.039 -15.535 -0.425) 15.540 12.691 ( 0.765 -49.537 1.928) 49.580 13.652 ( -0.062 1.654 -0.895) 1.882 16.346 ( -2.100 11.416 -27.532) 29.879 17.524 ( 4.514 13.073 4.803) 14.641 17.882 ( -2.148 7.118 8.329) 11.165 ======================= Grid point 297 (129/324) ======================= q-point: (-0.43 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -5.206 -5.357 -8.932) 11.644 1.661 ( 1.620 -12.051 17.640) 21.425 1.833 ( -5.216 -11.153 -16.775) 20.809 2.252 ( 0.924 -24.087 -2.641) 24.249 2.800 ( 1.248 -24.195 3.042) 24.418 3.233 ( -0.025 -20.637 -1.394) 20.684 3.492 ( -3.139 0.499 -11.046) 11.494 3.714 ( 0.384 -3.952 -7.712) 8.674 3.939 ( 2.707 -5.099 12.703) 13.953 4.086 ( -1.979 -18.203 -9.392) 20.578 4.336 ( -1.056 -8.134 -0.352) 8.210 4.492 ( 2.667 -8.379 1.060) 8.857 4.707 ( 4.310 -17.117 10.168) 20.371 4.972 ( -3.644 -2.185 10.012) 10.876 5.360 ( -2.968 1.538 -1.554) 3.686 5.447 ( -1.650 2.244 -1.841) 3.339 5.570 ( -0.153 -2.671 -2.328) 3.546 5.627 ( -0.351 2.136 3.367) 4.003 5.789 ( 3.861 0.126 2.760) 4.748 5.818 ( 1.772 -0.133 8.112) 8.304 5.941 ( 3.324 -2.777 2.451) 4.976 6.432 ( -0.958 3.348 -6.255) 7.159 6.630 ( -1.774 5.611 -3.380) 6.786 6.643 ( -1.391 7.746 -2.723) 8.327 6.756 ( 0.052 6.115 0.177) 6.118 7.258 ( 0.645 -2.550 -1.069) 2.840 7.527 ( -0.859 9.116 0.683) 9.181 7.575 ( 1.280 -0.766 -2.456) 2.873 7.928 ( -1.971 10.165 -2.735) 10.710 8.120 ( 1.141 15.932 -0.782) 15.992 11.644 ( -0.180 -21.412 -1.833) 21.491 13.591 ( -1.168 -2.728 0.701) 3.049 13.760 ( 4.405 -48.650 4.472) 49.053 15.989 ( -0.898 17.291 -23.913) 29.523 17.211 ( 0.654 21.098 2.609) 21.268 17.718 ( -0.099 11.469 6.958) 13.415 ======================= Grid point 298 (130/324) ======================= q-point: (-0.36 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -1.735 -15.410 -6.766) 16.919 1.904 ( -8.614 -15.075 -6.692) 18.608 2.082 ( 6.170 -15.733 7.991) 18.694 2.720 ( 1.171 -22.628 2.423) 22.788 3.185 ( 0.081 -14.031 -0.602) 14.045 3.362 ( -1.795 -1.542 -13.596) 13.800 3.697 ( 1.173 -15.939 3.068) 16.274 3.807 ( 2.300 -9.998 -2.107) 10.474 4.113 ( 3.331 -8.305 10.220) 13.584 4.442 ( -1.224 -17.786 -8.812) 19.887 4.460 ( -2.646 -9.229 -2.489) 9.918 4.654 ( 1.896 -9.329 -4.958) 10.734 5.013 ( -4.678 -2.969 9.166) 10.710 5.082 ( -0.465 -12.629 6.348) 14.142 5.313 ( -1.392 1.268 1.831) 2.627 5.410 ( -3.158 -1.009 -1.779) 3.763 5.553 ( 2.082 1.290 -1.964) 3.139 5.682 ( 4.075 -2.574 5.728) 7.487 5.801 ( 2.156 0.807 2.411) 3.333 5.864 ( 2.013 -2.584 3.789) 5.008 6.020 ( 1.072 -3.619 1.574) 4.090 6.347 ( -1.518 3.140 -6.457) 7.339 6.474 ( -0.448 7.221 -2.492) 7.652 6.509 ( -0.098 7.044 0.307) 7.051 6.667 ( 0.352 3.485 1.537) 3.825 7.242 ( 0.078 5.775 -2.766) 6.404 7.305 ( 1.539 12.445 -0.164) 12.541 7.560 ( -5.841 0.098 -5.186) 7.812 7.824 ( -1.064 0.476 1.943) 2.266 7.868 ( 3.361 10.843 0.983) 11.394 12.017 ( -0.225 -17.717 -2.530) 17.898 13.560 ( -0.614 1.736 -0.338) 1.872 14.634 ( 3.963 -34.534 5.836) 35.247 15.610 ( 0.347 15.135 -17.036) 22.791 16.796 ( -1.327 22.285 1.071) 22.350 17.503 ( 0.620 12.739 5.053) 13.719 ======================= Grid point 299 (131/324) ======================= q-point: (-0.29 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 2.907 -20.922 -4.559) 21.610 2.181 ( -6.437 -19.778 -5.621) 21.545 2.441 ( 5.312 -15.721 10.574) 19.677 3.092 ( 2.620 -14.552 6.107) 15.998 3.237 ( -0.452 1.931 -9.338) 9.546 3.486 ( -0.427 -11.559 -7.375) 13.718 3.903 ( 4.693 -7.401 6.863) 11.131 4.104 ( -1.477 -15.634 -1.928) 15.821 4.325 ( 3.745 -10.006 4.119) 11.450 4.528 ( -2.392 -2.792 -0.085) 3.677 4.719 ( 1.265 -9.482 -8.500) 12.796 4.825 ( -3.174 -8.981 -6.891) 11.757 5.031 ( -5.556 -0.216 5.537) 7.847 5.148 ( -5.392 1.279 -2.144) 5.942 5.358 ( 1.652 -2.589 4.404) 5.369 5.480 ( 1.816 -5.049 3.183) 6.239 5.558 ( 2.692 -1.119 -0.495) 2.957 5.749 ( 1.853 -0.891 5.164) 5.559 5.816 ( -0.800 -3.153 -0.715) 3.331 5.951 ( 1.780 -4.354 1.431) 4.916 6.082 ( 0.021 -1.657 1.190) 2.040 6.247 ( -0.564 5.740 -2.245) 6.189 6.362 ( 1.917 4.644 -0.820) 5.091 6.407 ( 0.090 3.008 0.586) 3.066 6.638 ( 1.918 1.278 2.942) 3.737 7.021 ( -0.920 12.733 -4.421) 13.510 7.113 ( -1.503 8.847 0.415) 8.983 7.552 ( -3.224 -2.395 -1.435) 4.265 7.748 ( 0.662 1.996 -1.423) 2.539 7.865 ( 1.002 -2.061 2.906) 3.701 12.270 ( -0.008 -9.589 -1.473) 9.701 13.529 ( -0.395 1.225 -0.371) 1.339 15.019 ( -2.053 -3.662 -6.086) 7.393 15.453 ( 5.153 -3.250 -0.878) 6.155 16.395 ( -1.755 19.170 0.835) 19.268 17.284 ( 0.662 11.736 3.128) 12.164 ======================= Grid point 300 (132/324) ======================= q-point: (-0.21 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 5.037 -21.082 -2.673) 21.840 2.544 ( -3.883 -21.346 -0.524) 21.703 2.750 ( 3.919 -11.613 7.070) 14.149 3.162 ( -0.558 2.991 -6.355) 7.046 3.347 ( 3.575 -9.983 5.402) 11.900 3.671 ( 2.138 -8.650 -2.346) 9.214 4.081 ( 2.573 -7.335 5.756) 9.673 4.292 ( -1.270 -5.065 -8.019) 9.569 4.504 ( 1.911 -5.434 -1.469) 5.945 4.536 ( -2.059 -0.284 0.665) 2.182 4.798 ( -1.689 -1.606 -3.069) 3.854 4.866 ( -2.992 0.464 -4.439) 5.373 5.017 ( -5.444 -0.431 1.290) 5.611 5.124 ( -0.522 -1.680 0.229) 1.774 5.407 ( 1.646 -1.419 -0.335) 2.199 5.538 ( 0.355 -0.364 0.555) 0.753 5.626 ( 1.755 -3.044 2.778) 4.479 5.790 ( -0.184 -3.043 0.948) 3.192 5.887 ( -1.137 -1.919 4.200) 4.755 6.025 ( 0.560 -2.395 0.036) 2.460 6.066 ( 0.009 1.987 -0.289) 2.008 6.166 ( 1.060 2.803 0.268) 3.009 6.294 ( 2.447 3.114 0.414) 3.982 6.407 ( 1.598 -1.811 1.931) 3.092 6.575 ( -1.025 7.220 -2.837) 7.825 6.826 ( -0.359 6.329 -1.263) 6.464 6.983 ( -1.423 3.388 2.135) 4.250 7.609 ( -0.240 -4.530 0.124) 4.538 7.766 ( 0.194 -3.273 -0.907) 3.402 7.909 ( -0.628 -1.680 1.153) 2.132 12.379 ( 0.165 -2.675 0.606) 2.747 13.508 ( -0.214 0.780 -0.448) 0.924 14.942 ( -2.669 3.073 -8.848) 9.739 15.605 ( 4.216 -5.610 4.442) 8.305 16.077 ( -1.392 13.853 1.286) 13.982 17.090 ( 0.376 9.616 1.356) 9.719 ======================= Grid point 301 (133/324) ======================= q-point: (-0.14 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 4.167 -16.445 -1.078) 16.999 2.898 ( -2.142 -15.372 2.251) 15.683 2.924 ( 2.135 -3.749 0.332) 4.327 3.103 ( 0.030 1.276 -0.679) 1.446 3.538 ( 3.101 -6.616 4.106) 8.381 3.814 ( 2.921 -5.427 0.756) 6.209 4.171 ( -0.838 3.429 -1.722) 3.927 4.273 ( -1.435 -3.420 -5.585) 6.704 4.515 ( 1.221 4.029 -1.730) 4.551 4.564 ( 0.138 -2.844 -1.352) 3.152 4.785 ( -3.635 1.332 1.312) 4.088 4.829 ( -3.461 0.167 -0.930) 3.588 5.018 ( -0.446 -1.057 -1.048) 1.554 5.182 ( 1.444 -3.181 1.135) 3.674 5.442 ( -0.007 -2.486 -1.569) 2.940 5.533 ( 0.167 1.032 1.226) 1.611 5.673 ( -1.486 -1.162 2.338) 3.004 5.843 ( -1.552 0.672 0.159) 1.699 5.867 ( 2.165 0.293 0.388) 2.219 6.034 ( 2.672 1.730 0.117) 3.186 6.080 ( -0.370 -1.664 -0.034) 1.705 6.113 ( -1.365 2.285 0.144) 2.665 6.277 ( 2.844 0.882 2.772) 4.069 6.414 ( -3.030 5.796 -1.252) 6.659 6.488 ( 1.892 -4.656 1.530) 5.253 6.706 ( -0.637 5.909 -3.021) 6.667 6.975 ( -0.489 -0.801 1.160) 1.492 7.702 ( 0.595 -4.669 -0.151) 4.709 7.834 ( 1.429 -2.215 2.407) 3.569 7.925 ( -2.354 -1.005 -1.194) 2.824 12.400 ( -0.176 0.277 1.799) 1.829 13.495 ( -0.035 0.367 -0.428) 0.565 14.889 ( -1.431 -0.473 -4.686) 4.923 15.695 ( 1.613 -1.706 2.591) 3.497 15.875 ( -0.605 7.376 1.706) 7.595 16.943 ( 0.090 5.856 0.171) 5.859 ======================= Grid point 302 (134/324) ======================= q-point: (-0.07 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 0.201 -3.047 -0.388) 3.078 2.955 ( 1.098 -0.616 -0.760) 1.471 3.025 ( -0.364 1.331 2.131) 2.539 3.101 ( -0.713 0.908 -1.189) 1.658 3.596 ( 0.530 2.813 -1.270) 3.132 3.889 ( 0.023 -1.047 1.034) 1.472 4.122 ( 0.177 -2.844 0.534) 2.899 4.359 ( -0.655 -4.458 -2.903) 5.360 4.427 ( 0.665 2.008 0.765) 2.250 4.630 ( 1.616 -3.639 -0.031) 3.982 4.737 ( -2.040 2.079 -0.108) 2.915 4.788 ( -1.738 3.119 0.294) 3.583 5.039 ( 2.683 -0.151 -0.024) 2.688 5.245 ( -1.061 -2.547 2.091) 3.462 5.485 ( -0.065 -1.537 -0.442) 1.601 5.511 ( 0.719 1.293 2.077) 2.550 5.669 ( 0.011 1.892 1.271) 2.279 5.760 ( -2.698 3.797 -3.014) 5.548 5.911 ( 1.921 -1.849 -3.728) 4.583 6.018 ( 2.303 0.630 -0.891) 2.548 6.076 ( -0.037 -0.337 -0.880) 0.943 6.093 ( -2.134 0.866 2.149) 3.150 6.282 ( -0.213 0.065 1.922) 1.935 6.361 ( -0.213 -0.836 2.608) 2.747 6.550 ( -0.617 2.302 -1.333) 2.731 6.640 ( 1.967 -3.007 0.545) 3.635 6.966 ( -0.806 1.918 -2.138) 2.983 7.774 ( -0.462 -2.156 -0.601) 2.285 7.837 ( 0.948 2.385 2.179) 3.367 7.933 ( -0.809 -0.329 -0.253) 0.909 12.394 ( -0.905 0.299 1.435) 1.723 13.491 ( 0.157 -0.056 -0.281) 0.327 14.917 ( -0.065 -3.248 0.430) 3.277 15.704 ( -1.022 0.843 -0.241) 1.346 15.803 ( 0.183 0.868 1.611) 1.840 16.886 ( 0.009 -0.013 -0.165) 0.166 ======================= Grid point 310 (135/324) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -3.662 -0.000 -2.617) 4.502 1.295 ( -3.012 -0.000 -10.654) 11.071 1.507 ( 3.591 0.000 18.300) 18.649 2.005 ( -9.512 -0.000 -33.966) 35.273 2.074 ( 4.247 0.000 15.247) 15.827 2.652 ( 0.447 0.000 -0.008) 0.447 3.463 ( -4.254 -0.000 -13.081) 13.755 3.579 ( -4.072 -0.000 -14.245) 14.816 3.835 ( 0.949 0.000 -5.728) 5.806 3.940 ( 2.083 0.000 6.502) 6.828 4.081 ( 0.013 0.000 -0.021) 0.025 4.109 ( 5.069 0.000 23.238) 23.784 4.534 ( 4.501 0.000 2.354) 5.079 4.933 ( -3.452 -0.000 10.079) 10.654 5.420 ( -2.690 -0.000 0.032) 2.691 5.422 ( 0.025 0.000 0.124) 0.127 5.621 ( 1.068 0.000 0.624) 1.237 5.632 ( 0.025 0.000 0.124) 0.126 5.722 ( -8.866 -0.000 -3.649) 9.588 5.838 ( 4.663 0.000 10.978) 11.927 5.948 ( 10.015 0.000 7.324) 12.407 6.511 ( 0.215 0.000 -5.533) 5.537 6.718 ( -2.145 -0.000 -1.250) 2.482 6.874 ( -2.500 -0.000 -10.135) 10.439 6.923 ( -0.013 -0.000 -0.025) 0.028 7.133 ( -0.010 -0.000 -0.048) 0.049 7.460 ( 0.616 0.000 2.924) 2.988 7.773 ( 2.288 0.000 -0.686) 2.388 8.226 ( -1.240 -0.000 -8.021) 8.117 8.648 ( -0.142 -0.000 -3.346) 3.349 11.126 ( 0.095 0.000 0.239) 0.257 12.151 ( -0.064 -0.000 -0.194) 0.204 13.664 ( -0.567 -0.000 -1.343) 1.457 16.366 ( -0.901 -0.000 -32.618) 32.630 17.689 ( 2.705 0.000 7.138) 7.633 17.967 ( -1.033 -0.000 9.169) 9.227 ======================= Grid point 311 (136/324) ======================= q-point: (-0.43 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -6.188 0.958 -5.210) 8.146 1.471 ( -9.435 -17.482 -12.054) 23.237 1.589 ( 5.346 -4.375 18.794) 20.023 1.897 ( -4.300 -7.251 -23.067) 24.559 2.374 ( 2.914 -21.622 10.945) 24.409 2.849 ( 1.758 -17.695 -0.291) 17.785 3.486 ( -3.266 1.871 -14.680) 15.155 3.515 ( -4.016 -9.203 -14.869) 17.941 3.844 ( 1.336 -3.103 -5.742) 6.662 3.969 ( 2.507 -0.997 10.942) 11.270 4.166 ( -0.216 -8.072 -1.009) 8.138 4.327 ( 3.885 -11.657 17.088) 21.047 4.569 ( 4.123 -2.236 2.956) 5.544 4.954 ( -3.129 -0.980 10.370) 10.876 5.373 ( -2.694 1.554 0.298) 3.125 5.465 ( -1.808 -1.427 -1.677) 2.849 5.540 ( -1.112 2.925 -0.947) 3.269 5.654 ( -0.941 0.981 1.118) 1.760 5.744 ( -2.145 -4.986 0.418) 5.444 5.874 ( 3.794 1.235 10.734) 11.452 5.992 ( 9.962 2.085 6.139) 11.885 6.472 ( 0.614 2.621 -6.647) 7.171 6.685 ( -2.269 2.007 -1.662) 3.455 6.755 ( -2.627 6.713 -9.214) 11.699 6.870 ( 0.018 5.226 -0.170) 5.229 7.184 ( -0.137 -4.346 -0.778) 4.417 7.502 ( -1.009 -2.668 2.665) 3.904 7.722 ( 3.606 6.384 -0.857) 7.382 8.100 ( -3.466 9.194 -8.333) 12.884 8.434 ( -0.321 16.779 -2.350) 16.946 11.278 ( -0.092 -15.074 -0.513) 15.083 12.724 ( 3.658 -52.128 3.399) 52.367 13.642 ( -0.701 1.425 -1.389) 2.109 16.176 ( 0.120 10.090 -32.561) 34.089 17.571 ( -0.580 14.556 6.702) 16.035 17.921 ( 0.544 7.146 8.226) 10.911 ======================= Grid point 312 (137/324) ======================= q-point: (-0.36 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -4.537 -6.696 -6.334) 10.273 1.581 ( -13.348 -10.598 -15.516) 23.049 1.879 ( 9.414 -12.804 14.860) 21.757 2.215 ( -1.945 -28.038 -7.700) 29.141 2.853 ( 2.303 -21.951 9.442) 24.007 3.228 ( 1.318 -17.312 -2.816) 17.589 3.409 ( -1.057 -2.977 -11.856) 12.270 3.669 ( -0.049 -9.794 -10.076) 14.051 3.972 ( -0.944 -12.445 -7.609) 14.618 4.081 ( 2.278 -7.398 10.836) 13.317 4.325 ( -0.614 -8.013 0.174) 8.038 4.521 ( 2.541 -5.255 0.803) 5.892 4.794 ( 2.886 -16.666 9.802) 19.549 4.994 ( -3.564 -1.712 10.414) 11.139 5.342 ( -1.178 1.093 2.019) 2.580 5.395 ( -5.419 2.862 -3.602) 7.109 5.545 ( 0.237 -1.341 -4.220) 4.434 5.667 ( 2.283 -1.722 5.078) 5.828 5.820 ( 0.586 -2.450 1.607) 2.988 5.888 ( 2.756 1.525 8.577) 9.137 6.007 ( 6.838 1.194 4.040) 8.032 6.387 ( -0.338 3.927 -8.381) 9.262 6.578 ( -2.241 6.358 -6.150) 9.125 6.632 ( -0.591 4.308 0.109) 4.350 6.752 ( -0.540 6.166 -0.491) 6.209 7.257 ( 0.225 -2.817 -0.715) 2.915 7.501 ( -4.680 4.140 -0.242) 6.253 7.587 ( 3.720 7.893 -2.933) 9.206 7.882 ( -4.189 7.292 -3.420) 9.078 8.129 ( 1.429 14.667 -0.320) 14.739 11.630 ( -0.375 -21.018 -2.027) 21.119 13.582 ( -1.243 -0.769 0.238) 1.481 13.855 ( 9.606 -51.115 7.544) 52.554 15.847 ( 0.453 15.086 -27.946) 31.762 17.216 ( -3.304 22.157 3.922) 22.743 17.760 ( 1.137 11.898 6.548) 13.629 ======================= Grid point 313 (138/324) ======================= q-point: (-0.29 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 2.489 -17.628 -5.070) 18.510 1.759 ( -10.012 -18.030 -11.927) 23.824 2.217 ( 8.011 -14.371 14.902) 22.198 2.727 ( -0.028 -25.980 -1.151) 26.005 3.194 ( 0.867 -9.728 1.762) 9.924 3.280 ( 0.181 -2.223 -14.098) 14.273 3.718 ( 0.848 -20.459 1.279) 20.516 3.832 ( 3.921 -8.575 0.372) 9.436 4.181 ( 1.807 -9.381 2.456) 9.864 4.369 ( -2.383 -20.452 -5.462) 21.302 4.441 ( -1.983 -4.840 1.493) 5.440 4.647 ( 2.030 -7.478 -4.708) 9.067 5.014 ( -5.058 -1.105 7.791) 9.355 5.093 ( -2.470 -6.855 3.210) 7.962 5.322 ( -0.280 -1.380 3.406) 3.686 5.397 ( 0.291 -4.524 3.021) 5.447 5.552 ( 1.196 -0.507 -3.789) 4.005 5.737 ( 2.377 -2.487 2.955) 4.535 5.832 ( 1.623 2.256 1.903) 3.368 5.903 ( 1.826 -1.027 3.657) 4.214 6.048 ( 2.578 -1.993 2.822) 4.311 6.299 ( -1.012 2.497 -6.711) 7.232 6.455 ( -0.341 4.769 -2.769) 5.525 6.524 ( 1.757 7.595 2.071) 8.066 6.671 ( -0.527 1.634 0.704) 1.856 7.218 ( -1.666 8.314 -3.996) 9.374 7.315 ( 0.616 12.063 -0.214) 12.080 7.485 ( -4.637 -0.532 -3.582) 5.883 7.802 ( -3.481 1.692 -0.341) 3.885 7.916 ( 4.243 7.926 2.072) 9.226 12.000 ( -0.374 -17.902 -2.585) 18.092 13.552 ( -0.715 1.541 -0.302) 1.726 14.721 ( 6.845 -29.712 7.752) 31.460 15.524 ( 2.376 10.548 -19.402) 22.211 16.779 ( -3.988 22.228 1.766) 22.651 17.538 ( 1.173 13.348 4.716) 14.206 ======================= Grid point 314 (139/324) ======================= q-point: (-0.21 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 6.901 -21.764 -3.390) 23.082 2.090 ( -6.563 -22.895 -5.104) 24.358 2.557 ( 6.186 -13.672 12.621) 19.608 3.142 ( 2.697 -15.767 2.030) 16.124 3.187 ( 0.675 1.320 -8.480) 8.609 3.450 ( 0.618 -12.473 -6.151) 13.921 3.988 ( 5.148 -6.967 7.196) 11.261 4.086 ( -0.727 -14.695 -1.201) 14.762 4.367 ( 1.953 -8.820 -0.629) 9.055 4.500 ( -3.089 -2.526 0.729) 4.057 4.674 ( -1.798 -12.006 -5.263) 13.232 4.768 ( -1.466 -6.085 -6.017) 8.682 4.995 ( -7.264 1.417 1.759) 7.607 5.110 ( -1.710 -0.312 1.402) 2.233 5.403 ( 2.785 -2.255 4.665) 5.882 5.519 ( 2.061 -2.799 2.607) 4.345 5.570 ( 0.490 -3.720 0.157) 3.756 5.767 ( -1.399 0.398 1.194) 1.882 5.825 ( 2.577 -2.461 0.196) 3.569 5.961 ( -0.578 -3.122 0.709) 3.253 6.097 ( 1.297 -0.934 2.465) 2.938 6.242 ( 1.581 3.149 -1.798) 3.956 6.371 ( 1.135 3.994 -1.020) 4.275 6.418 ( 1.045 3.395 0.906) 3.666 6.664 ( 0.944 1.561 1.622) 2.441 6.975 ( -3.667 11.207 -3.983) 12.446 7.107 ( -0.338 9.582 0.479) 9.600 7.524 ( -1.740 -4.193 -0.161) 4.542 7.736 ( -1.189 1.480 -1.882) 2.674 7.890 ( 1.341 -0.486 2.267) 2.678 12.262 ( -0.031 -10.292 -1.422) 10.390 13.523 ( -0.427 1.142 -0.295) 1.255 14.969 ( -1.864 1.660 -5.873) 6.381 15.507 ( 7.601 -7.637 -1.135) 10.834 16.378 ( -3.151 18.528 1.248) 18.836 17.307 ( 0.894 12.438 2.834) 12.788 ======================= Grid point 315 (140/324) ======================= q-point: (-0.14 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 7.253 -20.725 -1.964) 22.045 2.506 ( -3.904 -23.526 0.037) 23.848 2.831 ( 4.764 -8.915 8.057) 12.926 3.122 ( -0.094 1.731 -7.704) 7.896 3.411 ( 4.051 -9.764 5.342) 11.844 3.675 ( 2.234 -11.088 -3.085) 11.724 4.142 ( 3.250 -5.292 6.388) 8.909 4.237 ( -1.647 -1.636 -7.891) 8.226 4.483 ( -1.578 -4.383 -4.890) 6.754 4.544 ( 1.279 -2.209 2.597) 3.641 4.773 ( -2.821 -1.276 1.874) 3.619 4.811 ( -2.744 -1.068 -5.274) 6.041 4.944 ( -7.729 -2.007 -2.640) 8.410 5.159 ( 3.828 -2.825 2.917) 5.580 5.429 ( 2.855 0.905 0.721) 3.080 5.534 ( -1.465 -0.747 -0.291) 1.671 5.633 ( -3.919 -1.445 3.045) 5.169 5.799 ( 3.654 -2.648 -0.798) 4.583 5.910 ( 0.252 -1.547 4.266) 4.545 5.994 ( -3.376 -3.754 -2.104) 5.470 6.099 ( 3.120 2.192 2.370) 4.489 6.181 ( 2.066 3.843 -0.191) 4.367 6.317 ( 2.032 2.036 0.057) 2.877 6.423 ( 0.718 -2.436 -0.149) 2.544 6.544 ( -2.822 8.849 -1.911) 9.483 6.820 ( 0.113 5.993 -0.586) 6.023 6.983 ( -0.871 2.795 1.900) 3.490 7.610 ( 0.320 -5.120 0.345) 5.142 7.760 ( -0.661 -4.482 -0.790) 4.599 7.908 ( -0.675 -0.356 0.835) 1.131 12.384 ( 0.206 -3.188 0.523) 3.238 13.503 ( -0.240 0.711 -0.368) 0.836 14.878 ( -2.039 2.267 -6.680) 7.343 15.665 ( 4.806 -4.201 2.538) 6.869 16.070 ( -1.888 13.170 1.611) 13.402 17.100 ( 0.436 10.232 1.137) 10.304 ======================= Grid point 316 (141/324) ======================= q-point: (-0.07 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 4.963 -15.097 -0.771) 15.911 2.888 ( -2.490 -16.005 1.976) 16.318 2.944 ( 2.186 -0.773 -0.364) 2.347 3.102 ( 0.310 -0.728 -0.137) 0.803 3.584 ( 2.671 -4.759 2.997) 6.227 3.845 ( 3.013 -5.601 0.478) 6.378 4.133 ( -2.045 4.599 -6.315) 8.075 4.257 ( 0.179 -3.980 0.805) 4.065 4.514 ( 1.447 2.758 -2.702) 4.123 4.566 ( 1.201 -2.109 -0.165) 2.432 4.758 ( -4.137 0.866 2.524) 4.923 4.794 ( -2.859 -0.468 -1.310) 3.179 4.993 ( -1.846 -4.657 -2.084) 5.426 5.233 ( 5.251 -1.431 3.596) 6.523 5.437 ( 0.254 -1.533 -0.636) 1.679 5.536 ( -0.925 0.193 0.904) 1.308 5.642 ( -6.170 -1.683 0.507) 6.415 5.839 ( -1.146 3.487 1.077) 3.826 5.875 ( 2.970 -0.875 -3.938) 5.009 6.067 ( 1.900 2.168 0.929) 3.029 6.076 ( -0.071 -2.420 1.468) 2.831 6.112 ( 1.139 3.711 -0.536) 3.918 6.298 ( -1.177 1.500 0.820) 2.075 6.378 ( -2.394 2.964 -0.074) 3.811 6.523 ( 2.815 -4.157 1.943) 5.383 6.695 ( 0.880 6.370 -1.248) 6.551 6.970 ( -1.025 -0.115 -0.260) 1.064 7.707 ( 0.917 -4.433 -0.062) 4.527 7.860 ( 0.637 -4.595 2.369) 5.209 7.895 ( -2.323 0.835 -1.352) 2.815 12.407 ( -0.188 0.475 1.579) 1.659 13.493 ( -0.050 0.255 -0.372) 0.454 14.856 ( -1.049 -2.014 -3.147) 3.881 15.720 ( 1.608 0.199 1.170) 1.998 15.880 ( -0.653 6.785 2.118) 7.138 16.945 ( 0.138 6.127 0.099) 6.129 ======================= Grid point 325 (142/324) ======================= q-point: (-0.43 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -7.442 -0.000 -2.168) 7.751 1.183 ( -9.009 -0.000 -10.062) 13.506 1.598 ( -8.237 -0.000 -1.925) 8.459 1.766 ( 1.676 0.000 -15.046) 15.139 2.195 ( 3.554 0.000 16.372) 16.753 2.678 ( 4.771 0.000 0.342) 4.784 3.345 ( -4.977 -0.000 -14.589) 15.415 3.465 ( -2.112 -0.000 -16.641) 16.775 3.809 ( 1.079 0.000 -7.824) 7.898 3.988 ( 1.386 0.000 5.441) 5.615 4.081 ( 0.014 0.000 -0.022) 0.027 4.286 ( 5.570 0.000 23.744) 24.388 4.585 ( 3.348 0.000 3.127) 4.581 4.960 ( -2.745 -0.000 10.618) 10.967 5.381 ( -5.357 -0.000 -0.857) 5.425 5.424 ( 0.289 0.000 0.143) 0.323 5.620 ( -4.380 -0.000 0.113) 4.381 5.632 ( -0.304 -0.000 0.141) 0.335 5.671 ( 1.584 0.000 2.150) 2.671 5.933 ( 3.127 0.000 10.909) 11.348 6.084 ( 10.919 0.000 6.457) 12.686 6.489 ( 2.138 0.000 -6.755) 7.086 6.685 ( -2.950 -0.000 -1.803) 3.458 6.789 ( -2.155 -0.000 -12.637) 12.820 6.925 ( 0.525 0.000 -0.029) 0.526 7.130 ( -0.529 -0.000 -0.054) 0.532 7.479 ( -1.398 -0.000 4.533) 4.744 7.799 ( 4.323 0.000 -0.809) 4.398 8.149 ( -4.152 -0.000 -11.065) 11.818 8.624 ( -0.835 -0.000 -4.022) 4.107 11.128 ( 0.014 0.000 0.281) 0.281 12.149 ( -0.090 -0.000 -0.226) 0.244 13.648 ( -1.129 -0.000 -1.701) 2.042 16.181 ( 1.238 0.000 -37.087) 37.107 17.738 ( -1.775 -0.000 10.316) 10.467 18.017 ( 1.491 0.000 7.812) 7.953 ======================= Grid point 326 (143/324) ======================= q-point: (-0.36 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -9.624 1.384 -2.915) 10.151 1.282 ( -14.998 -10.748 -16.254) 24.590 1.617 ( -7.249 -18.264 -13.574) 23.883 1.856 ( 9.195 -6.245 9.971) 14.932 2.474 ( 2.929 -20.383 14.744) 25.327 2.880 ( 4.807 -16.725 0.473) 17.409 3.376 ( -3.312 -3.958 -15.900) 16.716 3.399 ( -2.162 -4.457 -16.123) 16.867 3.816 ( 0.744 -3.051 -7.916) 8.516 4.046 ( 2.405 -3.150 8.871) 9.716 4.162 ( 0.409 -8.080 -0.440) 8.102 4.455 ( 4.103 -6.557 16.315) 18.055 4.619 ( 2.790 -3.643 3.977) 6.073 4.985 ( -2.709 -0.786 10.775) 11.138 5.343 ( -4.612 0.474 -0.165) 4.640 5.433 ( -1.570 1.452 -1.423) 2.569 5.523 ( -1.598 1.903 -0.472) 2.530 5.681 ( 2.873 0.398 3.722) 4.719 5.733 ( -1.254 -5.656 0.831) 5.853 5.959 ( 2.529 1.566 9.420) 9.879 6.114 ( 9.448 3.238 5.323) 11.317 6.444 ( 2.089 3.695 -8.838) 9.805 6.650 ( -2.694 2.739 -3.384) 5.119 6.683 ( -1.975 4.378 -7.963) 9.299 6.872 ( 0.465 5.487 0.043) 5.507 7.177 ( -0.540 -4.385 -0.502) 4.447 7.496 ( -3.683 -0.846 3.140) 4.914 7.757 ( 4.871 6.305 -1.412) 8.092 8.005 ( -5.959 8.551 -10.308) 14.659 8.415 ( -0.911 15.372 -2.281) 15.567 11.274 ( -0.188 -14.541 -0.521) 14.551 12.799 ( 8.169 -57.345 5.033) 58.142 13.626 ( -0.830 0.984 -1.522) 1.993 15.998 ( 1.411 8.967 -36.253) 37.372 17.591 ( -4.262 16.314 9.294) 19.253 17.972 ( 1.728 7.415 6.654) 10.112 ======================= Grid point 327 (144/324) ======================= q-point: (-0.29 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -3.039 -9.961 -3.303) 10.925 1.360 ( -13.965 -13.831 -18.293) 26.851 2.049 ( 7.573 -16.099 13.092) 22.089 2.156 ( -1.027 -27.181 -3.475) 27.422 2.931 ( 1.851 -19.633 11.842) 23.002 3.219 ( 2.029 -8.477 -7.464) 11.476 3.360 ( 2.315 -10.878 -7.325) 13.317 3.601 ( -1.771 -17.130 -12.251) 21.134 3.908 ( -1.445 -10.051 -9.613) 13.983 4.170 ( 2.967 -6.104 10.181) 12.236 4.335 ( 1.656 -7.793 2.487) 8.346 4.547 ( 1.942 -2.473 1.230) 3.376 4.862 ( 1.644 -14.754 7.770) 16.756 5.016 ( -3.625 -1.051 10.097) 10.780 5.323 ( -5.144 0.049 -2.527) 5.731 5.363 ( 0.839 1.772 4.571) 4.973 5.529 ( 0.925 -1.384 -4.300) 4.611 5.712 ( 1.935 -1.326 3.707) 4.387 5.824 ( -0.937 -3.862 0.790) 4.052 5.949 ( 1.392 2.602 5.874) 6.573 6.095 ( 6.857 3.324 4.028) 8.619 6.338 ( 0.570 4.508 -9.666) 10.681 6.530 ( -1.643 4.838 -4.879) 7.065 6.633 ( 0.356 1.856 1.199) 2.238 6.745 ( -0.235 7.173 -0.365) 7.186 7.254 ( -0.238 -3.003 -0.637) 3.079 7.444 ( -6.419 4.708 -1.868) 8.176 7.597 ( 1.825 11.142 -3.675) 11.873 7.823 ( -4.651 4.093 -2.624) 6.728 8.144 ( 2.011 12.881 0.229) 13.039 11.616 ( -0.446 -20.595 -1.899) 20.687 13.572 ( -0.981 0.355 0.214) 1.065 14.021 ( 16.282 -52.050 10.395) 55.519 15.697 ( 1.281 12.703 -30.773) 33.316 17.195 ( -6.734 23.166 5.295) 24.699 17.805 ( 1.592 12.299 5.342) 13.503 ======================= Grid point 328 (145/324) ======================= q-point: (-0.21 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 5.845 -19.935 -2.619) 20.939 1.609 ( -9.396 -21.763 -9.935) 25.702 2.376 ( 8.380 -12.713 15.372) 21.636 2.713 ( -0.710 -29.261 -2.214) 29.353 3.191 ( 1.520 0.830 -10.821) 10.959 3.238 ( 1.408 -9.881 -0.656) 10.002 3.730 ( 1.154 -20.927 0.101) 20.959 3.877 ( 3.836 -10.908 2.492) 11.829 4.136 ( -4.075 -16.282 -12.009) 20.638 4.376 ( 1.594 -13.118 4.863) 14.081 4.447 ( 0.198 -2.890 5.530) 6.243 4.637 ( 1.436 -6.098 -4.986) 8.007 4.998 ( -5.871 0.491 4.602) 7.476 5.085 ( -2.458 -2.785 3.564) 5.147 5.345 ( 1.328 -5.405 3.540) 6.596 5.438 ( 2.065 -5.996 6.111) 8.807 5.540 ( 1.360 -0.267 -4.023) 4.256 5.748 ( -1.827 -1.227 -0.393) 2.236 5.851 ( 1.475 1.182 0.434) 1.939 5.930 ( 0.664 -0.195 1.698) 1.833 6.098 ( 4.156 0.218 4.049) 5.807 6.264 ( 0.631 1.157 -5.358) 5.517 6.437 ( -0.555 3.652 -2.389) 4.399 6.557 ( 2.400 8.160 2.117) 8.765 6.671 ( -0.064 -0.380 1.027) 1.097 7.163 ( -4.821 11.196 -5.362) 13.317 7.307 ( -1.471 9.013 -1.501) 9.255 7.451 ( -0.626 -0.401 0.095) 0.749 7.762 ( -4.382 1.581 -1.119) 4.791 7.963 ( 3.704 7.276 1.650) 8.329 11.983 ( -0.381 -18.080 -2.267) 18.225 13.545 ( -0.581 1.409 -0.067) 1.525 14.837 ( 8.108 -21.049 9.182) 24.354 15.451 ( 5.673 3.427 -20.610) 21.649 16.743 ( -6.294 21.739 2.511) 22.771 17.573 ( 1.345 13.883 3.815) 14.460 ======================= Grid point 329 (146/324) ======================= q-point: (-0.14 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 8.523 -22.049 -1.773) 23.706 2.012 ( -5.573 -25.611 -2.917) 26.372 2.685 ( 6.437 -11.888 12.944) 18.717 3.123 ( 1.609 -0.597 -11.716) 11.841 3.198 ( 2.530 -16.913 2.419) 17.271 3.434 ( 1.691 -11.629 -3.606) 12.292 4.066 ( 3.838 -6.804 5.421) 9.509 4.077 ( -0.051 -13.914 -0.642) 13.928 4.327 ( -3.967 -8.920 -8.987) 13.269 4.509 ( 1.098 -2.598 5.724) 6.382 4.649 ( -0.793 -11.685 0.751) 11.736 4.726 ( -0.764 -4.642 -6.469) 7.999 4.927 ( -7.657 3.622 -0.254) 8.474 5.119 ( 0.108 -2.535 3.250) 4.123 5.457 ( 3.145 -2.276 4.759) 6.142 5.519 ( -1.197 1.423 -2.877) 3.426 5.590 ( 0.023 -4.836 5.592) 7.393 5.751 ( -1.389 -3.728 -1.287) 4.181 5.854 ( 3.989 -0.611 -0.752) 4.105 5.956 ( -0.940 -1.087 0.211) 1.452 6.128 ( 1.737 -0.426 3.527) 3.954 6.250 ( 2.328 1.207 -2.522) 3.638 6.374 ( 0.442 2.665 -0.581) 2.763 6.432 ( 1.163 4.689 0.426) 4.850 6.669 ( -0.726 4.084 -0.773) 4.219 6.922 ( -4.064 7.513 -1.668) 8.703 7.109 ( 0.239 9.642 0.326) 9.651 7.519 ( -0.149 -4.807 1.269) 4.974 7.708 ( -2.431 0.550 -2.235) 3.347 7.912 ( 1.051 0.972 1.458) 2.044 12.255 ( -0.000 -10.943 -1.191) 11.007 13.518 ( -0.359 1.116 -0.120) 1.179 14.925 ( -1.559 4.664 -4.374) 6.581 15.577 ( 9.401 -8.993 -2.037) 13.168 16.352 ( -4.282 17.511 1.712) 18.108 17.329 ( 0.904 13.074 2.160) 13.282 ======================= Grid point 330 (147/324) ======================= q-point: (-0.07 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 7.336 -20.016 -0.943) 21.339 2.475 ( -3.219 -24.994 0.786) 25.212 2.922 ( 5.304 -5.909 8.615) 11.716 3.076 ( -0.152 0.170 -8.912) 8.915 3.476 ( 4.177 -9.296 4.163) 11.009 3.682 ( 2.484 -12.784 -2.201) 13.208 4.175 ( -2.668 1.190 -7.405) 7.960 4.199 ( 2.388 -4.138 4.258) 6.399 4.447 ( -0.488 -7.471 -3.774) 8.385 4.576 ( 2.208 -0.923 3.095) 3.912 4.755 ( -2.751 -2.266 -1.884) 4.031 4.771 ( -3.026 1.587 2.557) 4.268 4.865 ( -5.014 -4.895 -4.083) 8.110 5.204 ( 2.808 -4.269 2.147) 5.542 5.462 ( 1.949 2.629 0.238) 3.281 5.507 ( -3.384 -1.589 1.652) 4.087 5.605 ( -3.912 0.258 1.717) 4.280 5.845 ( 6.253 -1.430 -0.276) 6.420 5.922 ( -1.208 2.545 0.126) 2.820 5.960 ( -1.634 -7.780 -0.323) 7.956 6.133 ( 1.217 1.712 2.839) 3.532 6.200 ( 2.673 4.316 -1.211) 5.219 6.328 ( 0.726 2.062 -0.627) 2.274 6.420 ( -0.324 -0.262 -1.201) 1.271 6.509 ( -2.734 5.538 -0.883) 6.239 6.821 ( 0.518 5.671 -0.180) 5.697 6.988 ( -0.327 3.218 1.674) 3.642 7.620 ( 1.018 -5.261 0.844) 5.425 7.744 ( -1.572 -5.581 -1.293) 5.940 7.906 ( -0.749 0.501 0.871) 1.254 12.388 ( 0.180 -3.619 0.389) 3.644 13.500 ( -0.212 0.676 -0.229) 0.745 14.835 ( -1.294 1.722 -3.701) 4.282 15.718 ( 5.039 -2.593 0.359) 5.679 16.060 ( -2.372 12.234 1.944) 12.613 17.109 ( 0.410 10.749 0.759) 10.783 ======================= Grid point 340 (148/324) ======================= q-point: (-0.36 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -11.981 -0.000 -2.544) 12.248 1.026 ( -14.097 -0.000 -8.615) 16.521 1.317 ( -19.033 -0.000 -32.355) 37.538 1.896 ( 11.781 0.000 16.410) 20.201 2.314 ( 3.252 0.000 16.150) 16.474 2.737 ( 7.256 0.000 0.576) 7.278 3.217 ( -5.397 -0.000 -15.022) 15.962 3.368 ( 0.626 0.000 -16.456) 16.468 3.771 ( 0.506 0.000 -8.683) 8.698 4.023 ( 0.673 0.000 4.027) 4.083 4.081 ( 0.014 0.000 -0.025) 0.029 4.458 ( 5.384 0.000 20.881) 21.564 4.626 ( 1.798 0.000 3.258) 3.721 4.997 ( -1.890 -0.000 10.936) 11.098 5.320 ( -5.816 -0.000 -1.445) 5.993 5.429 ( 0.519 0.000 0.138) 0.537 5.586 ( -3.879 -0.000 3.094) 4.962 5.628 ( -0.591 -0.000 0.134) 0.606 5.720 ( 4.516 0.000 2.796) 5.312 6.009 ( 1.765 0.000 8.363) 8.547 6.207 ( 8.756 0.000 5.175) 10.171 6.474 ( 3.760 0.000 -9.406) 10.129 6.654 ( -1.851 -0.000 -0.291) 1.874 6.705 ( -0.826 -0.000 -12.533) 12.560 6.932 ( 1.028 0.000 -0.026) 1.028 7.123 ( -1.011 -0.000 -0.051) 1.012 7.480 ( -4.196 -0.000 5.817) 7.172 7.836 ( 4.284 0.000 -2.134) 4.786 8.039 ( -4.729 -0.000 -12.898) 13.738 8.590 ( -1.577 -0.000 -4.357) 4.633 11.129 ( -0.068 -0.000 0.259) 0.268 12.147 ( -0.100 -0.000 -0.210) 0.233 13.628 ( -1.141 -0.000 -1.584) 1.952 15.988 ( 1.947 0.000 -40.186) 40.233 17.775 ( -3.788 -0.000 13.344) 13.871 18.071 ( 2.094 0.000 5.753) 6.122 ======================= Grid point 341 (149/324) ======================= q-point: (-0.29 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -12.330 -0.743 -0.963) 12.390 1.027 ( -17.917 -7.672 -21.040) 28.681 1.450 ( -10.303 -29.760 -13.622) 34.312 2.038 ( 11.554 -4.675 16.656) 20.803 2.581 ( 2.755 -19.557 15.069) 24.842 2.938 ( 6.473 -15.778 1.211) 17.097 3.249 ( -5.051 -9.356 -16.224) 19.397 3.315 ( 1.852 0.611 -14.999) 15.126 3.777 ( 0.188 -3.075 -7.983) 8.557 4.104 ( 1.779 -4.766 4.918) 7.076 4.173 ( 2.162 -9.698 0.896) 9.976 4.569 ( 3.128 -0.189 13.018) 13.390 4.664 ( 1.952 -6.701 5.063) 8.623 5.019 ( -2.367 -0.154 10.416) 10.683 5.291 ( -4.964 -0.048 -1.030) 5.069 5.435 ( 1.131 1.715 2.244) 3.043 5.505 ( -1.597 1.882 -0.908) 2.630 5.716 ( -0.793 -4.331 2.235) 4.937 5.740 ( 2.581 -0.599 1.755) 3.178 6.015 ( 0.401 1.986 5.475) 5.838 6.210 ( 5.858 4.123 2.591) 7.618 6.415 ( 3.922 4.778 -11.221) 12.811 6.594 ( -2.574 4.478 -6.938) 8.650 6.658 ( 0.854 1.082 0.698) 1.545 6.878 ( 0.827 5.742 0.180) 5.804 7.169 ( -0.897 -4.472 -0.408) 4.579 7.471 ( -5.387 1.003 3.672) 6.596 7.766 ( -1.423 7.360 -6.740) 10.080 7.905 ( -2.568 7.016 -7.112) 10.315 8.395 ( -1.007 13.224 -1.725) 13.375 11.270 ( -0.233 -14.042 -0.451) 14.051 12.939 ( 16.212 -65.740 6.979) 68.069 13.612 ( -0.473 0.329 -1.396) 1.511 15.810 ( 1.244 7.824 -38.446) 39.254 17.595 ( -6.877 18.992 11.231) 23.111 18.020 ( 1.829 7.597 4.859) 9.202 ======================= Grid point 342 (150/324) ======================= q-point: (-0.21 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -0.498 -14.780 -0.395) 14.794 1.145 ( -12.854 -18.184 -14.516) 26.582 2.048 ( -4.699 -36.062 -4.803) 36.683 2.264 ( 9.485 -9.557 14.630) 19.883 3.010 ( 1.565 -17.118 11.657) 20.769 3.186 ( 2.401 -1.112 -10.819) 11.138 3.369 ( 4.344 -15.558 -2.453) 16.338 3.509 ( -2.993 -24.234 -12.604) 27.479 3.853 ( -0.400 -7.313 -7.366) 10.387 4.232 ( 1.746 -6.700 4.733) 8.387 4.385 ( 4.935 -8.057 3.510) 10.079 4.571 ( 0.918 0.264 3.088) 3.232 4.907 ( 0.281 -11.404 5.263) 12.563 5.037 ( -3.013 -0.833 8.812) 9.350 5.275 ( -3.268 -1.491 -0.435) 3.618 5.405 ( 1.806 0.411 4.539) 4.902 5.517 ( 1.681 -1.958 -3.644) 4.465 5.737 ( 0.242 0.584 1.751) 1.862 5.816 ( -1.465 -4.294 0.504) 4.565 5.967 ( -1.457 3.189 0.260) 3.516 6.162 ( 3.925 2.575 1.717) 4.998 6.312 ( 4.069 4.860 -6.196) 8.863 6.493 ( -1.747 3.594 -3.660) 5.419 6.657 ( 2.205 0.335 3.256) 3.946 6.745 ( 0.314 8.225 -0.040) 8.231 7.244 ( -0.947 -2.581 -1.199) 3.000 7.366 ( -7.520 6.916 -3.187) 10.702 7.578 ( -1.548 8.262 -3.247) 9.011 7.776 ( -3.245 4.004 -1.290) 5.313 8.168 ( 2.676 11.241 0.501) 11.566 11.603 ( -0.391 -20.224 -1.490) 20.282 13.567 ( -0.525 0.969 0.458) 1.193 14.270 ( 24.821 -50.105 12.854) 57.374 15.539 ( 1.259 9.782 -32.482) 33.946 17.150 ( -9.962 24.069 6.307) 26.802 17.845 ( 1.542 12.558 3.878) 13.233 ======================= Grid point 343 (151/324) ======================= q-point: (-0.14 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 7.041 -21.619 -0.366) 22.740 1.491 ( -7.179 -25.090 -4.962) 26.565 2.525 ( 7.270 -12.011 11.963) 18.445 2.696 ( -0.989 -31.711 -0.862) 31.738 3.142 ( 2.677 1.775 -12.293) 12.706 3.261 ( 1.496 -8.840 2.416) 9.285 3.741 ( 1.297 -20.460 -0.576) 20.509 3.925 ( 2.729 -14.047 4.193) 14.911 4.024 ( -4.180 -16.390 -13.023) 21.347 4.405 ( 0.879 -10.378 2.089) 10.622 4.508 ( 3.291 -2.513 8.307) 9.282 4.619 ( 0.377 -4.431 -4.904) 6.619 4.960 ( -6.267 2.182 2.433) 7.068 5.089 ( -1.665 -1.734 4.276) 4.906 5.386 ( 2.747 -7.902 4.909) 9.700 5.471 ( 0.298 -4.717 0.088) 4.727 5.554 ( 4.192 -1.167 0.922) 4.448 5.706 ( -4.962 1.220 -2.195) 5.561 5.866 ( 1.423 -1.271 -0.111) 1.911 5.931 ( -0.799 -0.633 -1.090) 1.492 6.161 ( 4.522 1.243 4.107) 6.234 6.252 ( 2.172 1.075 -3.961) 4.644 6.419 ( -1.119 2.796 -1.760) 3.488 6.581 ( 1.088 8.770 0.338) 8.844 6.688 ( 1.842 -0.965 2.378) 3.159 7.080 ( -6.699 11.936 -4.677) 14.464 7.280 ( -1.791 5.401 -2.124) 6.073 7.466 ( 1.632 0.944 2.574) 3.191 7.711 ( -5.049 1.237 -1.642) 5.451 8.001 ( 3.063 7.556 0.954) 8.209 11.970 ( -0.245 -18.218 -1.641) 18.293 13.541 ( -0.345 1.405 0.230) 1.465 14.955 ( 5.924 -6.810 8.852) 12.643 15.418 ( 11.506 -7.807 -19.586) 24.020 16.692 ( -8.212 20.766 3.176) 22.555 17.602 ( 1.175 14.289 2.577) 14.567 ======================= Grid point 344 (152/324) ======================= q-point: (-0.07 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 7.514 -21.942 -0.184) 23.193 1.962 ( -3.552 -27.305 0.092) 27.535 2.802 ( 4.806 -11.115 9.372) 15.312 3.081 ( 2.861 1.840 -9.584) 10.170 3.231 ( 2.256 -22.016 1.336) 22.171 3.440 ( 2.387 -10.419 -1.283) 10.766 4.070 ( -0.602 -11.755 -1.184) 11.830 4.113 ( 2.018 -6.904 1.323) 7.313 4.242 ( -3.535 -10.721 -6.526) 13.040 4.563 ( 2.992 -3.428 6.359) 7.819 4.657 ( -0.049 -7.432 1.262) 7.539 4.683 ( -0.873 -6.589 -5.605) 8.694 4.862 ( -6.701 4.893 0.998) 8.357 5.137 ( 0.031 -3.548 2.693) 4.454 5.467 ( -4.348 0.725 -0.359) 4.423 5.530 ( 4.912 -0.491 3.189) 5.877 5.603 ( -1.986 0.005 1.324) 2.387 5.744 ( 0.809 -9.921 0.997) 10.003 5.886 ( 3.632 0.165 -1.559) 3.956 5.944 ( -0.726 -0.288 -1.558) 1.742 6.165 ( 1.551 0.977 4.191) 4.574 6.253 ( 2.087 0.191 -4.009) 4.523 6.372 ( -0.353 1.476 -0.238) 1.536 6.442 ( 0.908 5.422 -0.076) 5.498 6.644 ( -2.256 7.991 -2.365) 8.633 6.890 ( -2.424 3.288 0.568) 4.125 7.114 ( 0.472 8.967 0.388) 8.988 7.532 ( 0.714 -4.674 2.204) 5.217 7.670 ( -2.928 -0.454 -2.304) 3.753 7.925 ( 0.602 2.135 0.767) 2.347 12.249 ( 0.094 -11.415 -0.814) 11.445 13.516 ( -0.255 1.156 0.080) 1.186 14.896 ( -0.971 5.939 -1.815) 6.285 15.653 ( 10.181 -8.128 -3.437) 13.474 16.319 ( -5.144 16.222 2.103) 17.147 17.346 ( 0.682 13.547 1.231) 13.620 ======================= Grid point 355 (153/324) ======================= q-point: (-0.29 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -15.271 -0.000 -4.256) 15.853 0.837 ( -18.090 -0.000 -6.579) 19.249 0.964 ( -21.595 -0.000 -27.510) 34.973 2.095 ( 11.764 0.000 15.412) 19.388 2.427 ( 3.353 0.000 14.632) 15.011 2.808 ( 7.418 0.000 -0.299) 7.424 3.091 ( -5.157 -0.000 -13.185) 14.158 3.304 ( 3.209 0.000 -13.561) 13.936 3.728 ( 0.214 0.000 -7.858) 7.861 4.044 ( 0.046 0.000 2.489) 2.489 4.081 ( 0.012 0.000 -0.028) 0.031 4.598 ( 3.685 0.000 13.384) 13.882 4.659 ( 1.002 0.000 6.329) 6.408 5.041 ( -1.011 -0.000 9.897) 9.948 5.270 ( -4.002 -0.000 0.591) 4.045 5.435 ( 0.678 0.000 0.106) 0.686 5.580 ( -2.044 -0.000 4.319) 4.778 5.623 ( -0.793 -0.000 0.103) 0.799 5.769 ( 3.308 0.000 1.299) 3.554 6.045 ( -1.324 -0.000 3.165) 3.431 6.290 ( 5.156 0.000 0.860) 5.227 6.455 ( 4.960 0.000 -11.573) 12.591 6.621 ( -0.556 -0.000 -10.054) 10.069 6.686 ( 3.141 0.000 3.794) 4.925 6.943 ( 1.454 0.000 -0.015) 1.454 7.111 ( -1.420 -0.000 -0.039) 1.421 7.472 ( -5.244 -0.000 8.015) 9.578 7.804 ( -5.679 -0.000 -11.131) 12.496 7.971 ( 3.499 0.000 -7.461) 8.241 8.549 ( -2.260 -0.000 -4.023) 4.614 11.130 ( -0.134 -0.000 0.179) 0.224 12.145 ( -0.090 -0.000 -0.150) 0.175 13.611 ( -0.794 -0.000 -1.096) 1.353 15.781 ( 0.551 0.000 -41.424) 41.428 17.817 ( -3.648 -0.000 15.253) 15.683 18.115 ( 1.802 0.000 3.932) 4.326 ======================= Grid point 356 (154/324) ======================= q-point: (-0.21 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -12.236 -5.772 1.340) 13.595 0.752 ( -17.848 -10.365 -17.228) 26.885 1.292 ( -12.055 -36.292 -7.275) 38.928 2.221 ( 10.216 -4.140 12.526) 16.685 2.686 ( 3.145 -19.187 13.697) 23.783 3.000 ( 5.542 -16.010 -0.764) 16.959 3.120 ( -4.403 -7.891 -13.024) 15.852 3.273 ( 4.215 0.769 -10.424) 11.270 3.740 ( 0.453 -3.271 -6.224) 7.046 4.131 ( 0.865 -5.371 1.607) 5.673 4.213 ( 5.107 -12.533 0.790) 13.556 4.644 ( 1.078 3.800 8.251) 9.148 4.715 ( 2.094 -8.552 6.662) 11.041 5.050 ( -2.036 0.790 8.051) 8.342 5.252 ( -3.665 0.481 1.317) 3.924 5.469 ( 2.574 -2.249 1.336) 3.671 5.482 ( -1.539 5.196 -0.266) 5.426 5.711 ( -1.633 -5.403 1.271) 5.786 5.771 ( 1.741 1.206 1.094) 2.383 6.011 ( -3.886 2.656 -1.990) 5.110 6.239 ( 2.149 4.850 -4.032) 6.663 6.413 ( 6.116 3.782 -6.510) 9.700 6.539 ( -2.169 3.699 -4.615) 6.300 6.699 ( 3.982 1.561 5.330) 6.834 6.887 ( 0.841 6.042 0.091) 6.101 7.156 ( -1.277 -4.468 -0.570) 4.681 7.441 ( -5.703 3.495 3.760) 7.673 7.651 ( -9.926 5.986 -10.483) 15.628 7.890 ( 2.052 6.951 -2.708) 7.737 8.382 ( -0.236 10.428 -0.866) 10.467 11.265 ( -0.222 -13.670 -0.318) 13.676 13.191 ( 31.348 -76.924 7.979) 83.448 13.604 ( 0.331 -0.918 -1.438) 1.738 15.605 ( -1.259 6.446 -37.959) 38.523 17.585 ( -9.338 23.186 12.233) 27.829 18.057 ( 1.470 7.648 3.268) 8.446 ======================= Grid point 357 (155/324) ======================= q-point: (-0.14 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 1.584 -19.229 1.863) 19.383 0.988 ( -8.869 -22.516 -4.599) 24.633 1.977 ( -5.936 -39.694 -2.665) 40.224 2.411 ( 7.582 -8.410 8.709) 14.285 3.084 ( 2.055 -13.489 9.448) 16.596 3.159 ( 2.691 0.590 -7.529) 8.017 3.364 ( -1.023 -18.166 -9.601) 20.573 3.455 ( 2.573 -25.953 -1.511) 26.123 3.825 ( 1.022 -6.738 -3.967) 7.885 4.262 ( 1.134 -6.979 2.146) 7.389 4.437 ( 5.030 -7.805 -3.193) 9.819 4.604 ( 0.780 2.241 6.528) 6.946 4.924 ( -1.351 -6.716 3.288) 7.599 5.057 ( -1.567 -1.447 6.571) 6.908 5.260 ( -1.080 -4.816 1.774) 5.245 5.420 ( -0.280 -0.117 -2.033) 2.056 5.536 ( 4.134 -2.491 1.049) 4.939 5.735 ( -1.723 3.016 0.353) 3.492 5.804 ( -1.755 -4.615 0.210) 4.942 5.931 ( -3.151 1.887 -3.493) 5.069 6.192 ( 2.731 0.575 -0.755) 2.891 6.340 ( 5.495 5.457 -2.092) 8.022 6.460 ( -1.902 2.996 -1.560) 3.877 6.703 ( 2.988 1.077 3.992) 5.102 6.749 ( 0.603 8.166 0.153) 8.190 7.221 ( -2.162 0.238 -2.532) 3.338 7.281 ( -6.746 6.213 -2.315) 9.459 7.544 ( -3.006 1.925 -0.542) 3.610 7.747 ( -2.190 6.834 -0.766) 7.218 8.196 ( 2.899 10.287 0.140) 10.688 11.593 ( -0.223 -19.975 -0.887) 19.996 13.567 ( -0.167 1.304 0.677) 1.478 14.615 ( 34.812 -43.481 13.347) 57.277 15.369 ( -0.360 6.062 -32.588) 33.149 17.080 ( -13.200 24.473 7.145) 28.710 17.874 ( 1.130 12.728 2.343) 12.991 ======================= Grid point 358 (156/324) ======================= q-point: (-0.07 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 5.168 -22.539 1.427) 23.168 1.434 ( -2.921 -26.851 1.808) 27.070 2.613 ( 2.772 -16.759 1.603) 17.062 2.694 ( -0.183 -28.890 1.819) 28.948 3.124 ( 4.228 2.213 -4.449) 6.525 3.284 ( 1.371 -8.231 0.891) 8.392 3.745 ( 0.711 -20.693 -1.176) 20.739 3.929 ( -1.644 -19.141 -8.369) 20.955 3.980 ( 2.377 -10.423 4.307) 11.525 4.422 ( 0.740 -9.948 1.565) 10.097 4.550 ( 1.257 -4.818 -5.655) 7.535 4.614 ( 1.180 -0.951 4.573) 4.818 4.918 ( -5.627 3.200 2.941) 7.110 5.095 ( -1.642 -1.605 3.031) 3.802 5.436 ( 1.611 -6.184 1.158) 6.495 5.469 ( 1.968 -6.116 1.327) 6.560 5.587 ( -0.514 -0.522 -1.510) 1.678 5.668 ( 0.309 0.935 1.376) 1.692 5.866 ( -1.567 -2.693 -1.745) 3.571 5.916 ( 0.255 -1.383 -1.216) 1.859 6.215 ( 3.624 -0.701 0.804) 3.778 6.259 ( 2.754 4.036 -1.759) 5.194 6.400 ( -1.570 2.226 -0.378) 2.750 6.584 ( 0.273 8.297 -0.765) 8.337 6.721 ( 2.146 0.897 1.773) 2.925 7.003 ( -5.716 10.967 -1.804) 12.498 7.257 ( -1.034 3.423 -1.486) 3.872 7.501 ( 2.235 1.522 3.552) 4.465 7.653 ( -5.357 0.850 -2.015) 5.787 8.029 ( 2.253 8.089 0.141) 8.398 11.962 ( 0.017 -18.301 -0.824) 18.320 13.541 ( -0.182 1.497 0.438) 1.570 15.023 ( 1.043 6.587 4.050) 7.803 15.464 ( 18.308 -17.049 -13.985) 28.661 16.629 ( -9.585 19.295 3.806) 21.879 17.621 ( 0.680 14.560 1.152) 14.621 ======================= Grid point 370 (157/324) ======================= q-point: (-0.21 -0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -17.130 -0.000 -5.244) 17.915 0.630 ( -20.859 -0.000 -3.429) 21.139 0.653 ( -22.699 -0.000 -10.109) 24.848 2.258 ( 8.945 0.000 8.175) 12.118 2.523 ( 2.427 0.000 9.479) 9.784 2.854 ( 4.872 0.000 -5.344) 7.231 3.003 ( -2.280 -0.000 -3.622) 4.279 3.286 ( 5.243 0.000 -6.803) 8.589 3.697 ( 0.841 0.000 -5.063) 5.132 4.051 ( -0.434 -0.000 0.901) 1.000 4.081 ( 0.013 0.000 -0.025) 0.029 4.648 ( 0.958 0.000 1.832) 2.067 4.736 ( 2.091 0.000 13.019) 13.186 5.077 ( -0.576 -0.000 5.533) 5.563 5.260 ( -1.989 -0.000 5.894) 6.221 5.442 ( 0.724 0.000 0.053) 0.726 5.587 ( -0.802 -0.000 1.504) 1.705 5.615 ( -0.863 -0.000 0.052) 0.865 5.795 ( 1.363 0.000 0.694) 1.529 6.009 ( -5.440 -0.000 -4.848) 7.287 6.305 ( 3.582 0.000 -9.664) 10.306 6.451 ( 3.606 0.000 -6.161) 7.138 6.569 ( 0.400 0.000 -6.920) 6.932 6.763 ( 5.596 0.000 7.412) 9.287 6.958 ( 1.754 0.000 -0.000) 1.754 7.096 ( -1.712 -0.000 -0.021) 1.712 7.472 ( -4.775 -0.000 6.599) 8.145 7.667 ( -7.246 -0.000 -9.121) 11.649 7.977 ( 3.701 0.000 -6.748) 7.697 8.509 ( -2.411 -0.000 -2.572) 3.525 11.129 ( -0.169 -0.000 0.058) 0.179 12.144 ( -0.064 -0.000 -0.058) 0.087 13.602 ( -0.377 -0.000 -0.303) 0.483 15.552 ( -4.168 -0.000 -37.055) 37.288 17.878 ( -0.651 -0.000 15.301) 15.315 18.146 ( 1.201 0.000 2.508) 2.781 ======================= Grid point 371 (158/324) ======================= q-point: (-0.14 -0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( -8.686 -12.714 5.408) 16.320 0.563 ( -11.535 -16.038 2.188) 19.876 1.153 ( -12.555 -41.079 -1.921) 42.997 2.342 ( 6.302 -3.948 2.714) 7.916 2.770 ( 1.513 -20.981 5.928) 21.855 2.974 ( -0.374 -11.077 -10.829) 15.495 3.099 ( 2.779 -8.816 4.673) 10.358 3.285 ( 5.765 0.438 -1.791) 6.053 3.723 ( 1.514 -3.493 -3.144) 4.938 4.143 ( 0.543 -6.017 0.654) 6.077 4.264 ( 7.248 -13.426 -4.068) 15.790 4.695 ( 2.640 2.654 5.056) 6.291 4.760 ( 0.453 -6.577 4.708) 8.101 5.067 ( -1.568 1.147 4.565) 4.961 5.232 ( -4.598 2.064 3.285) 6.016 5.437 ( -2.459 2.479 -4.293) 5.534 5.524 ( 3.908 -0.665 2.886) 4.903 5.698 ( -2.402 -5.089 -0.426) 5.643 5.783 ( -0.224 1.932 0.571) 2.027 5.939 ( -4.643 1.979 -5.233) 7.270 6.230 ( 1.579 3.094 -4.664) 5.816 6.422 ( 1.384 2.187 -6.649) 7.135 6.524 ( 1.420 3.591 2.613) 4.662 6.773 ( 4.559 2.691 6.094) 8.072 6.892 ( 0.073 6.618 -0.392) 6.630 7.139 ( -1.503 -4.323 -0.740) 4.637 7.392 ( -6.404 6.095 -3.506) 9.511 7.532 ( -8.490 3.033 2.104) 9.257 7.889 ( 0.338 6.845 -1.981) 7.134 8.382 ( 0.988 7.996 -0.572) 8.077 11.262 ( -0.154 -13.487 -0.152) 13.488 13.576 ( 15.412 -21.632 4.822) 26.995 13.640 ( 42.466 -68.079 -9.299) 80.775 15.387 ( -6.335 4.970 -26.865) 28.046 17.551 ( -12.994 29.279 12.638) 34.435 18.082 ( 0.843 7.673 1.867) 7.942 ======================= Grid point 372 (159/324) ======================= q-point: (-0.07 -0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 0.764 -21.571 5.026) 22.162 0.952 ( -1.367 -24.202 8.032) 25.536 1.918 ( -5.268 -42.409 0.358) 42.736 2.476 ( 2.747 -7.929 -3.088) 8.942 3.125 ( -1.258 -7.938 -5.849) 9.940 3.159 ( 3.188 -6.238 4.340) 8.241 3.325 ( 2.719 -19.721 -0.408) 19.912 3.495 ( 3.357 -21.170 3.083) 21.655 3.829 ( 2.244 -7.372 -0.206) 7.709 4.278 ( 0.615 -7.037 1.039) 7.139 4.435 ( 2.168 -5.667 -9.523) 11.292 4.642 ( 0.540 2.153 3.260) 3.944 4.922 ( -2.171 -3.185 2.617) 4.659 5.071 ( -1.654 -0.874 2.669) 3.259 5.261 ( -0.798 -9.090 -0.751) 9.155 5.406 ( 0.671 -1.215 0.432) 1.453 5.585 ( 4.433 -1.281 0.892) 4.700 5.713 ( -2.805 3.286 -1.309) 4.514 5.777 ( -3.037 -4.277 -1.909) 5.582 5.905 ( 0.077 0.135 1.539) 1.547 6.212 ( 2.978 -0.112 -1.343) 3.269 6.355 ( 1.049 3.649 -5.544) 6.719 6.460 ( 0.846 4.605 4.448) 6.459 6.736 ( 0.747 7.236 0.395) 7.285 6.763 ( 1.344 2.987 2.053) 3.865 7.178 ( -3.207 6.518 -2.287) 7.616 7.234 ( -2.772 0.199 0.647) 2.853 7.520 ( -2.999 -2.405 1.636) 4.178 7.728 ( -1.300 9.242 -0.052) 9.333 8.219 ( 2.269 9.967 -0.868) 10.259 11.590 ( 0.036 -19.899 -0.202) 19.900 13.570 ( -0.088 1.463 0.711) 1.629 15.025 ( 43.602 -37.055 -7.737) 57.741 15.192 ( -4.794 6.785 -13.262) 15.649 16.987 ( -16.086 23.805 8.417) 29.938 17.890 ( 0.379 12.877 0.800) 12.907 ======================= Grid point 385 (160/324) ======================= q-point: (-0.14 -0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( -7.552 -0.000 28.796) 29.769 0.430 ( -21.363 -0.000 2.549) 21.514 0.445 ( -20.782 -0.000 5.609) 21.526 2.330 ( 3.496 0.000 -3.693) 5.085 2.545 ( -1.665 -0.000 -4.619) 4.910 2.863 ( 4.409 0.000 -1.784) 4.756 3.013 ( 0.872 0.000 6.250) 6.310 3.332 ( 6.716 0.000 3.616) 7.627 3.694 ( 2.177 0.000 -0.879) 2.348 4.046 ( -0.736 -0.000 -0.704) 1.018 4.081 ( 0.015 0.000 -0.019) 0.024 4.661 ( 1.272 0.000 -1.544) 2.001 4.816 ( 3.898 0.000 5.238) 6.529 5.089 ( -0.653 -0.000 1.002) 1.196 5.286 ( -3.307 -0.000 7.679) 8.361 5.448 ( 0.618 0.000 -0.012) 0.618 5.551 ( -4.042 -0.000 -7.128) 8.195 5.608 ( -0.762 -0.000 -0.009) 0.762 5.802 ( -0.838 -0.000 -0.135) 0.849 5.931 ( -2.556 -0.000 -3.290) 4.166 6.259 ( -0.424 -0.000 -11.021) 11.029 6.421 ( -1.412 -0.000 -8.386) 8.504 6.586 ( 3.983 0.000 7.023) 8.074 6.843 ( 3.674 0.000 4.950) 6.164 6.975 ( 1.835 0.000 0.014) 1.835 7.080 ( -1.794 -0.000 0.000) 1.794 7.392 ( -7.022 -0.000 -11.798) 13.729 7.680 ( 4.100 0.000 15.857) 16.378 7.952 ( -0.653 -0.000 -4.278) 4.327 8.483 ( -1.423 -0.000 -0.338) 1.463 11.127 ( -0.165 -0.000 -0.079) 0.182 12.143 ( -0.028 -0.000 0.048) 0.055 13.602 ( 0.011 0.000 0.892) 0.892 15.352 ( -5.509 -0.000 -9.223) 10.743 17.970 ( 5.697 0.000 9.023) 10.671 18.164 ( 0.414 0.000 1.403) 1.463 ======================= Grid point 386 (161/324) ======================= q-point: (-0.07 -0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( -2.260 -16.924 10.614) 20.104 0.589 ( -0.688 -16.177 26.493) 31.049 1.054 ( -9.125 -44.893 4.290) 46.012 2.355 ( 0.503 -3.912 -9.510) 10.295 2.729 ( -4.299 -20.572 -13.189) 24.812 2.985 ( 5.253 -9.215 3.979) 11.329 3.160 ( 1.946 -10.448 9.225) 14.072 3.359 ( 6.525 1.118 7.909) 10.314 3.735 ( 2.690 -3.598 0.278) 4.500 4.149 ( 0.213 -6.424 0.322) 6.435 4.286 ( 6.000 -11.110 -11.318) 16.957 4.722 ( 0.272 5.251 -5.640) 7.711 4.770 ( -0.448 -8.645 -1.231) 8.743 5.064 ( -3.079 0.738 -0.516) 3.208 5.179 ( -8.345 1.886 1.393) 8.668 5.427 ( 2.389 1.734 4.391) 5.291 5.569 ( 3.619 -2.658 0.593) 4.529 5.655 ( -4.167 -4.005 -2.797) 6.421 5.769 ( -1.318 2.357 -1.459) 3.069 5.924 ( 1.958 0.422 4.192) 4.646 6.227 ( 1.525 0.512 -0.459) 1.673 6.377 ( -0.980 1.404 -8.197) 8.374 6.582 ( 3.728 4.684 8.457) 10.361 6.830 ( 1.052 3.155 2.878) 4.398 6.886 ( -0.161 7.564 0.185) 7.568 7.124 ( -0.994 -4.259 -0.413) 4.393 7.319 ( -2.114 2.614 -3.668) 4.975 7.503 ( -7.800 5.806 9.988) 13.940 7.889 ( 1.149 6.714 1.332) 6.940 8.388 ( 1.102 6.932 -1.448) 7.167 11.261 ( -0.041 -13.520 0.013) 13.520 13.594 ( -0.064 0.669 0.323) 0.746 14.056 ( 57.444 -89.204 -61.964) 122.868 15.332 ( 12.343 3.544 20.383) 24.091 17.474 ( -19.764 35.402 13.895) 42.860 18.092 ( -0.090 7.774 0.587) 7.797 ======================= Grid point 400 (162/324) ======================= q-point: (-0.07 -0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.302 ( -13.067 -0.000 13.788) 18.996 0.327 ( -14.755 -0.000 13.906) 20.275 0.594 ( 7.672 0.000 49.794) 50.382 2.283 ( -2.424 -0.000 -14.539) 14.740 2.457 ( -4.465 -0.000 -14.715) 15.378 2.919 ( 5.460 0.000 2.605) 6.050 3.067 ( 0.707 0.000 11.339) 11.361 3.442 ( 7.107 0.000 12.602) 14.468 3.723 ( 2.863 0.000 2.512) 3.809 4.030 ( -0.868 -0.000 -2.301) 2.459 4.081 ( 0.015 0.000 -0.016) 0.022 4.632 ( -2.855 -0.000 -9.438) 9.860 4.798 ( -5.859 -0.000 -17.147) 18.120 5.046 ( -8.742 -0.000 -4.844) 9.995 5.181 ( -10.993 -0.000 0.677) 11.013 5.453 ( 0.347 0.000 -0.073) 0.355 5.585 ( 8.849 0.000 5.545) 10.443 5.602 ( -0.472 -0.000 -0.069) 0.477 5.786 ( -0.509 -0.000 -1.603) 1.682 5.957 ( 3.831 0.000 6.171) 7.263 6.246 ( 4.465 0.000 3.896) 5.926 6.367 ( 1.220 0.000 -8.132) 8.223 6.709 ( 9.721 0.000 10.946) 14.640 6.877 ( 0.477 0.000 3.441) 3.474 6.990 ( 1.428 0.000 0.026) 1.428 7.065 ( -1.396 -0.000 0.022) 1.396 7.322 ( 4.461 0.000 -3.156) 5.464 7.699 ( -13.297 -0.000 -0.956) 13.331 8.059 ( 18.321 0.000 10.757) 21.245 8.483 ( 0.814 0.000 2.458) 2.590 11.125 ( -0.123 -0.000 -0.204) 0.238 12.144 ( 0.013 0.000 0.145) 0.146 13.608 ( -0.366 -0.000 0.911) 0.981 15.570 ( 43.911 0.000 35.591) 56.524 18.009 ( -3.147 -0.000 -10.574) 11.032 18.170 ( -0.279 -0.000 0.790) 0.838 ======================= Grid point 401 (163/324) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 3.941 0.000 14.491) 15.017 0.698 ( 2.026 0.000 18.917) 19.025 1.722 ( -2.597 -0.000 -18.712) 18.891 1.804 ( 5.173 0.000 34.789) 35.172 2.019 ( -3.907 -0.000 -14.391) 14.912 2.967 ( 0.642 0.000 0.096) 0.649 3.440 ( 3.049 0.000 14.403) 14.722 3.787 ( 2.289 0.000 6.477) 6.870 3.900 ( -1.697 -0.000 -7.406) 7.598 3.940 ( 4.204 0.000 9.087) 10.012 4.080 ( 0.015 0.000 -0.018) 0.023 4.163 ( -7.747 -0.000 -22.381) 23.684 4.420 ( 0.250 0.000 -5.647) 5.653 4.980 ( -5.409 -0.000 1.822) 5.708 5.141 ( -1.229 -0.000 -2.841) 3.095 5.451 ( -0.040 -0.000 -0.115) 0.122 5.597 ( -0.043 -0.000 -0.115) 0.123 5.622 ( -0.545 -0.000 1.451) 1.551 5.724 ( -1.938 -0.000 -1.676) 2.562 5.978 ( -0.648 -0.000 -7.555) 7.582 6.261 ( -0.617 -0.000 1.119) 1.278 6.314 ( 6.954 0.000 -3.473) 7.773 6.798 ( -1.135 -0.000 2.602) 2.838 6.998 ( -0.006 -0.000 0.031) 0.032 7.016 ( 1.112 0.000 2.582) 2.812 7.059 ( 0.023 0.000 0.039) 0.046 7.552 ( 13.858 0.000 5.035) 14.745 7.665 ( -7.175 -0.000 6.297) 9.546 8.019 ( -2.862 -0.000 -7.912) 8.414 8.599 ( 2.360 0.000 2.420) 3.380 11.117 ( -0.053 -0.000 -0.292) 0.297 12.149 ( 0.049 0.000 0.214) 0.219 13.616 ( -0.671 -0.000 0.546) 0.865 16.267 ( 22.496 0.000 1.077) 22.522 17.733 ( -8.227 -0.000 -1.983) 8.463 18.170 ( -1.502 -0.000 0.237) 1.521 ======================= Grid point 402 (164/324) ======================= q-point: ( 0.07 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 0.483 -12.080 16.266) 20.267 1.163 ( 6.658 -33.295 9.995) 35.395 1.684 ( -9.994 -5.386 -18.247) 21.490 1.833 ( 6.798 -0.291 13.370) 15.002 2.303 ( 1.129 -23.503 2.598) 23.673 3.091 ( -0.721 -12.418 0.196) 12.441 3.627 ( 3.324 -12.368 14.437) 19.299 3.783 ( -0.053 1.502 4.548) 4.789 3.863 ( -3.254 -1.183 -11.054) 11.584 3.983 ( 3.669 -1.012 6.055) 7.152 4.162 ( -0.670 -7.827 -2.228) 8.165 4.249 ( -5.912 -15.353 -16.456) 23.269 4.379 ( 1.522 2.801 -4.525) 5.535 4.984 ( -3.399 -2.121 3.396) 5.252 5.144 ( 0.148 -1.424 -2.428) 2.819 5.504 ( -2.340 0.225 1.638) 2.865 5.544 ( 0.502 -2.306 0.166) 2.365 5.662 ( -0.063 0.391 -3.739) 3.760 5.713 ( -0.792 -1.822 3.118) 3.697 5.935 ( -1.590 1.632 -7.759) 8.087 6.234 ( -6.741 0.757 -0.496) 6.801 6.340 ( 12.231 1.470 -2.139) 12.504 6.765 ( -0.900 3.529 2.519) 4.428 6.897 ( -1.100 7.866 2.769) 8.412 6.942 ( -0.653 7.406 0.703) 7.468 7.140 ( -0.018 -4.953 0.477) 4.976 7.538 ( 0.662 6.907 4.827) 8.453 7.633 ( 7.400 2.705 5.992) 9.899 7.907 ( -2.768 7.559 -5.062) 9.509 8.389 ( 1.108 15.704 1.215) 15.790 11.268 ( 0.242 -15.043 0.100) 15.045 12.922 ( -3.399 -64.436 -13.323) 65.887 13.606 ( -0.304 0.933 0.599) 1.150 16.281 ( 19.873 8.458 -3.945) 21.955 17.442 ( -9.042 22.833 5.323) 25.129 18.066 ( -2.356 9.475 0.402) 9.772 ======================= Grid point 403 (165/324) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -1.755 -17.912 12.264) 21.778 1.731 ( -4.968 -12.108 6.925) 14.807 1.786 ( 2.758 -16.242 -3.717) 16.889 2.063 ( 3.724 -23.447 -5.167) 24.297 2.794 ( 1.267 -25.485 3.360) 25.737 3.388 ( -1.258 -18.229 0.570) 18.282 3.748 ( -1.583 0.800 3.992) 4.368 3.865 ( -3.312 -7.821 -8.881) 12.289 3.938 ( 2.432 -4.630 7.615) 9.238 4.142 ( 2.624 -14.355 8.325) 16.800 4.275 ( -0.543 -4.846 -0.745) 4.933 4.342 ( 2.353 -2.729 -6.491) 7.424 4.538 ( -4.285 -20.187 -13.907) 24.886 5.050 ( -1.545 -4.405 6.312) 7.851 5.184 ( 1.043 -3.178 -2.168) 3.986 5.414 ( -1.860 5.594 2.660) 6.467 5.608 ( -1.590 2.597 -2.037) 3.663 5.676 ( -0.462 -7.406 0.342) 7.429 5.779 ( 2.622 -2.681 0.796) 3.833 5.871 ( -2.527 1.591 -6.226) 6.905 6.179 ( -7.943 1.025 -1.979) 8.250 6.352 ( 11.328 2.645 -0.604) 11.648 6.672 ( -0.866 6.795 2.081) 7.159 6.730 ( -0.323 9.375 2.430) 9.690 6.781 ( -3.883 7.737 1.472) 8.781 7.232 ( -0.378 -4.754 -0.139) 4.771 7.386 ( 4.109 11.176 3.048) 12.291 7.641 ( 5.802 3.219 4.907) 8.253 7.714 ( -1.756 8.473 -3.724) 9.420 8.140 ( -1.011 10.619 -1.280) 10.744 11.629 ( 0.744 -21.137 0.402) 21.154 13.583 ( -0.024 1.510 0.591) 1.622 14.019 ( -6.306 -53.706 -10.862) 55.155 16.109 ( 13.256 16.061 -6.107) 21.702 16.967 ( -4.453 23.707 7.175) 25.166 17.825 ( -2.552 14.131 0.058) 14.359 ======================= Grid point 404 (166/324) ======================= q-point: ( 0.21 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -4.513 -18.995 7.949) 21.080 1.937 ( -5.724 -14.849 -2.117) 16.054 2.055 ( 4.736 -11.402 3.627) 12.868 2.569 ( 1.458 -25.282 -5.818) 25.984 3.238 ( 0.683 -18.843 2.597) 19.033 3.703 ( -0.513 -8.961 5.656) 10.609 3.762 ( -4.663 -7.855 -3.653) 9.838 3.983 ( -3.502 -2.686 0.096) 4.415 4.045 ( -2.037 -13.744 -3.300) 14.281 4.264 ( 5.734 -3.407 -1.307) 6.797 4.424 ( 1.664 -4.760 -2.512) 5.633 4.622 ( 3.043 -21.001 6.617) 22.228 4.869 ( -2.199 -18.852 -6.323) 20.006 5.141 ( -1.674 -3.383 5.880) 6.987 5.241 ( 2.424 0.776 -0.283) 2.560 5.331 ( -0.636 -0.142 1.171) 1.341 5.556 ( -0.057 2.122 0.437) 2.167 5.755 ( -2.670 0.594 -5.103) 5.789 5.810 ( 0.412 -3.552 -1.811) 4.008 5.879 ( 1.213 -2.684 0.786) 3.048 6.118 ( -8.054 0.665 -2.314) 8.406 6.342 ( 7.947 2.914 0.693) 8.493 6.526 ( -1.078 7.734 2.338) 8.151 6.570 ( -0.469 8.212 -0.800) 8.264 6.646 ( -3.616 4.659 0.324) 5.907 7.163 ( 3.944 13.508 -0.152) 14.073 7.305 ( 0.102 0.423 -0.047) 0.438 7.469 ( 2.560 9.182 2.045) 9.749 7.700 ( 1.772 -1.718 -0.285) 2.485 7.975 ( -2.282 5.649 -0.546) 6.117 12.011 ( 0.892 -17.706 -0.030) 17.729 13.555 ( 0.114 1.597 0.473) 1.670 14.793 ( -5.542 -33.368 -1.638) 33.865 15.799 ( 4.825 18.087 -6.815) 19.921 16.575 ( 1.069 18.919 3.949) 19.356 17.541 ( -2.030 14.244 0.065) 14.388 ======================= Grid point 405 (167/324) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -6.900 -17.419 3.196) 19.007 2.223 ( -1.342 -16.819 1.716) 16.960 2.313 ( 2.009 -14.200 -1.028) 14.378 2.953 ( 0.043 -16.702 -2.395) 16.873 3.458 ( -1.356 -2.924 0.381) 3.246 3.752 ( -4.393 -2.433 0.814) 5.087 3.892 ( -2.849 -6.159 -1.901) 7.047 4.152 ( -2.352 -15.236 0.718) 15.433 4.283 ( 0.215 -10.148 -1.327) 10.237 4.456 ( 4.498 -14.318 -1.739) 15.108 4.500 ( 2.628 -3.311 -0.913) 4.324 4.934 ( 0.042 -7.646 0.417) 7.658 5.113 ( -0.761 4.149 3.765) 5.655 5.150 ( 1.941 -3.866 2.647) 5.072 5.259 ( 1.548 -9.670 0.709) 9.819 5.432 ( 0.932 -6.642 0.895) 6.767 5.529 ( 2.287 1.804 2.662) 3.946 5.686 ( -1.723 2.969 -5.734) 6.683 5.876 ( -1.787 -3.243 -1.062) 3.852 5.926 ( 1.170 -1.704 -0.532) 2.135 6.081 ( -4.226 -0.212 -0.024) 4.231 6.329 ( 1.302 1.053 0.038) 1.675 6.375 ( -1.146 8.247 0.137) 8.327 6.439 ( -0.917 4.665 0.143) 4.756 6.585 ( -1.649 -0.506 -2.024) 2.660 6.922 ( 4.570 13.292 -0.812) 14.079 7.140 ( 0.432 12.290 1.437) 12.382 7.486 ( 1.283 -4.926 0.617) 5.127 7.748 ( 1.528 -2.967 -0.175) 3.342 7.900 ( -2.243 1.624 0.283) 2.783 12.274 ( 0.393 -9.626 -0.378) 9.641 13.529 ( 0.216 1.347 0.227) 1.383 15.236 ( -2.351 -14.787 7.278) 16.648 15.488 ( -1.382 11.423 -10.590) 15.638 16.271 ( 2.645 15.341 1.918) 15.685 17.285 ( -1.258 11.978 0.299) 12.047 ======================= Grid point 406 (168/324) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -7.319 -14.310 0.476) 16.080 2.543 ( 1.746 -15.924 2.225) 16.173 2.602 ( 0.122 -15.877 -1.372) 15.936 3.207 ( -0.806 -10.548 0.627) 10.598 3.389 ( -2.541 6.046 -1.696) 6.774 3.784 ( -4.964 -3.624 -1.025) 6.231 4.028 ( -0.212 -7.805 1.127) 7.889 4.416 ( -0.760 -10.458 -0.689) 10.508 4.442 ( 1.471 -8.131 -2.206) 8.552 4.525 ( 2.015 -0.577 1.613) 2.645 4.770 ( 0.344 -13.660 -5.323) 14.665 4.877 ( -1.143 8.880 -0.487) 8.967 4.989 ( 3.159 8.376 4.617) 10.073 5.249 ( -1.554 -4.759 1.641) 5.268 5.472 ( 2.827 -8.270 2.458) 9.079 5.510 ( 2.394 0.482 -0.706) 2.542 5.550 ( 1.401 -2.615 4.684) 5.544 5.614 ( 0.302 2.438 -4.222) 4.885 5.907 ( -2.040 -1.253 1.105) 2.636 5.963 ( 1.864 -2.019 -2.663) 3.827 6.083 ( -1.094 -0.929 1.605) 2.153 6.216 ( -1.541 7.007 0.393) 7.186 6.307 ( -2.844 1.032 -3.083) 4.319 6.368 ( -1.457 2.611 0.284) 3.003 6.655 ( -1.252 -6.827 -4.302) 8.166 6.725 ( 5.007 8.923 2.590) 10.554 6.939 ( 1.264 9.466 2.126) 9.784 7.595 ( -0.682 -6.153 -0.585) 6.218 7.833 ( 0.990 -4.933 -0.241) 5.037 7.875 ( -0.735 0.685 1.094) 1.485 12.385 ( -0.458 -2.909 0.244) 2.955 13.508 ( 0.270 0.998 -0.075) 1.037 15.211 ( -0.203 9.950 0.196) 9.954 15.505 ( -3.536 -9.061 -1.777) 9.887 16.034 ( 1.801 11.175 1.641) 11.438 17.082 ( -0.581 9.230 0.300) 9.253 ======================= Grid point 407 (169/324) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -4.982 -9.255 -0.289) 10.514 2.832 ( 1.893 -12.588 0.930) 12.764 2.877 ( -0.020 -12.700 -0.931) 12.734 3.181 ( -2.099 8.797 0.568) 9.062 3.434 ( -0.210 -8.882 -0.263) 8.888 3.843 ( -3.555 -4.776 0.261) 5.959 4.152 ( 0.667 -4.052 0.738) 4.173 4.415 ( 0.733 5.390 -1.391) 5.615 4.532 ( 0.343 4.900 -1.172) 5.050 4.623 ( -3.423 -3.106 -4.888) 6.727 4.694 ( 1.669 -3.914 1.634) 4.558 4.832 ( 4.285 9.191 2.775) 10.514 5.011 ( 0.086 -6.997 0.088) 6.999 5.317 ( 0.379 -2.397 2.130) 3.229 5.492 ( -0.311 1.145 -1.099) 1.617 5.552 ( 0.078 0.520 -4.692) 4.722 5.596 ( 1.356 0.898 4.919) 5.181 5.614 ( -0.323 -4.607 -0.055) 4.619 5.914 ( -0.056 0.345 1.307) 1.353 6.006 ( 2.986 -1.661 -0.539) 3.459 6.089 ( -0.953 1.725 -0.523) 2.039 6.124 ( -0.654 1.144 2.325) 2.673 6.271 ( -3.078 -0.346 -4.872) 5.773 6.330 ( -1.833 0.806 0.867) 2.182 6.609 ( 2.705 3.165 -0.341) 4.177 6.761 ( 0.704 2.138 -0.472) 2.300 6.847 ( 1.185 -2.117 3.016) 3.871 7.697 ( -1.933 -5.296 -1.259) 5.777 7.844 ( -0.579 1.316 -1.281) 1.925 7.940 ( 1.574 -3.728 2.472) 4.742 12.411 ( -0.985 -0.623 1.328) 1.767 13.493 ( 0.241 0.626 -0.284) 0.728 15.045 ( -0.818 7.113 -1.562) 7.329 15.622 ( -1.641 -4.959 0.397) 5.238 15.885 ( 0.547 5.402 2.012) 5.790 16.938 ( -0.120 5.621 0.023) 5.622 ======================= Grid point 408 (170/324) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 0.159 0.384 -0.447) 0.611 2.963 ( 1.452 2.263 0.425) 2.722 3.026 ( -2.356 -1.417 -2.816) 3.935 3.082 ( 0.221 -2.972 1.845) 3.505 3.567 ( -0.066 -4.218 -0.460) 4.243 3.910 ( -0.249 -1.602 0.216) 1.635 4.129 ( 0.011 5.180 -0.572) 5.211 4.316 ( 0.281 3.261 0.841) 3.379 4.440 ( 0.542 -0.808 -0.402) 1.052 4.673 ( 2.061 6.330 0.789) 6.704 4.701 ( -0.897 -3.093 -1.194) 3.435 4.791 ( -0.070 -1.230 0.449) 1.312 5.062 ( 1.173 1.886 1.204) 2.526 5.353 ( 2.345 0.041 2.761) 3.623 5.458 ( -2.031 1.297 -1.117) 2.656 5.544 ( -2.626 -1.603 -5.633) 6.418 5.593 ( 1.382 0.931 3.583) 3.951 5.678 ( -3.418 -3.863 -1.022) 5.259 5.908 ( 2.249 0.967 1.564) 2.905 6.047 ( 1.545 -1.583 0.776) 2.344 6.066 ( 1.388 -0.176 -0.921) 1.675 6.115 ( -1.766 0.466 0.862) 2.019 6.262 ( -2.432 -0.772 -3.052) 3.978 6.326 ( -1.673 -1.072 -0.481) 2.044 6.618 ( 1.770 -2.618 0.816) 3.264 6.675 ( 2.557 5.569 0.353) 6.138 6.924 ( -0.430 -2.818 1.313) 3.138 7.758 ( -0.359 -1.235 -0.077) 1.289 7.808 ( -1.355 0.892 -3.005) 3.415 7.986 ( 0.616 0.424 2.928) 3.022 12.423 ( -0.895 -0.811 1.538) 1.956 13.486 ( 0.150 0.187 -0.277) 0.366 14.926 ( -0.202 4.959 0.334) 4.975 15.684 ( -0.431 -2.350 -0.528) 2.446 15.851 ( -0.356 -0.993 1.883) 2.159 16.882 ( 0.101 -0.048 -0.143) 0.181 ======================= Grid point 409 (171/324) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 4.998 12.630 0.800) 13.606 2.880 ( -2.930 14.155 -0.707) 14.473 2.920 ( 1.044 2.595 -2.407) 3.690 3.136 ( 1.281 -0.931 2.067) 2.604 3.567 ( -0.178 2.889 -5.096) 5.860 3.859 ( 2.699 6.618 -0.928) 7.208 4.117 ( 1.500 -2.580 5.364) 6.139 4.287 ( -0.064 3.013 0.777) 3.112 4.489 ( 2.194 -1.326 0.055) 2.564 4.579 ( 1.514 1.246 -1.606) 2.535 4.738 ( -3.828 4.210 -0.913) 5.763 4.790 ( -1.688 -4.805 3.201) 6.015 4.976 ( 1.442 7.443 1.057) 7.654 5.327 ( -0.544 3.731 1.089) 3.925 5.449 ( -1.199 -0.830 0.922) 1.725 5.540 ( -2.926 -0.714 -1.360) 3.305 5.597 ( 1.240 0.345 1.442) 1.933 5.743 ( -2.324 -5.237 -3.612) 6.774 5.911 ( 3.193 0.878 2.485) 4.140 6.043 ( -2.056 2.829 -2.092) 4.075 6.097 ( 1.239 -3.055 -1.395) 3.580 6.134 ( 0.812 -2.813 1.431) 3.259 6.264 ( -1.906 -1.425 -2.578) 3.508 6.348 ( -1.354 -2.418 -0.310) 2.789 6.575 ( 2.084 5.898 -0.221) 6.259 6.714 ( 1.464 -5.367 1.164) 5.684 6.954 ( -1.167 -1.295 0.033) 1.744 7.714 ( 0.415 4.513 -1.425) 4.751 7.799 ( -0.392 0.630 -0.779) 1.076 7.953 ( -1.074 2.967 2.396) 3.962 12.433 ( -0.449 0.209 0.641) 0.810 13.487 ( 0.035 -0.342 -0.063) 0.349 14.866 ( 0.821 1.933 3.994) 4.513 15.711 ( 0.869 -0.688 -2.310) 2.562 15.918 ( -1.147 -5.949 0.991) 6.139 16.945 ( 0.128 -6.435 -0.178) 6.439 ======================= Grid point 410 (172/324) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 6.603 18.357 3.018) 19.740 2.499 ( -2.271 22.853 2.822) 23.139 2.833 ( -0.556 6.509 -10.130) 12.054 3.177 ( 5.112 -1.146 7.969) 9.537 3.447 ( -0.454 7.865 -8.181) 11.358 3.712 ( 3.857 10.717 2.088) 11.580 4.161 ( 2.577 9.411 -0.304) 9.762 4.183 ( 0.883 -0.561 3.541) 3.693 4.433 ( 1.060 9.496 0.313) 9.560 4.574 ( -1.658 0.911 -4.029) 4.451 4.688 ( -6.017 -1.337 -2.226) 6.553 4.800 ( 3.262 5.520 4.777) 7.996 4.921 ( -1.005 -2.757 6.694) 7.309 5.242 ( -0.463 4.888 0.546) 4.940 5.447 ( -4.543 -0.011 2.029) 4.975 5.546 ( -2.392 -1.066 -1.696) 3.120 5.601 ( 2.361 -0.085 -0.240) 2.375 5.823 ( 1.571 -3.683 -4.541) 6.055 5.887 ( -1.908 3.615 -0.613) 4.134 5.947 ( 0.354 5.145 -0.553) 5.187 6.150 ( -0.189 -2.196 -2.042) 3.004 6.209 ( 2.731 -3.232 1.564) 4.511 6.293 ( -0.402 -3.488 -2.539) 4.333 6.409 ( 0.584 -2.542 -0.346) 2.631 6.494 ( -0.393 0.512 1.625) 1.748 6.812 ( -0.104 -3.966 -1.103) 4.118 7.003 ( -1.284 -5.454 -0.226) 5.607 7.616 ( -0.652 4.713 -1.887) 5.118 7.744 ( 1.098 5.261 2.660) 5.997 7.915 ( -1.432 0.316 0.244) 1.487 12.394 ( 0.052 4.463 -0.031) 4.464 13.499 ( -0.077 -0.919 0.233) 0.951 14.889 ( 1.768 -2.100 7.742) 8.214 15.694 ( 3.210 2.750 -5.048) 6.584 16.072 ( -2.603 -11.064 0.428) 11.374 17.112 ( 0.021 -10.921 -0.657) 10.941 ======================= Grid point 411 (173/324) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 6.310 20.514 5.353) 22.120 2.066 ( -0.830 23.087 8.694) 24.683 2.623 ( -1.938 10.813 -14.547) 18.229 3.176 ( -0.268 17.554 -5.761) 18.477 3.269 ( 5.172 -0.148 7.720) 9.294 3.513 ( 4.635 12.514 6.666) 14.917 3.981 ( 3.335 9.741 -3.528) 10.884 4.111 ( 0.987 13.048 1.273) 13.147 4.240 ( 0.328 6.172 1.636) 6.394 4.472 ( -3.865 7.287 -6.285) 10.370 4.624 ( -2.116 2.637 -4.571) 5.686 4.758 ( 2.393 8.519 7.148) 11.376 4.976 ( -2.197 -2.373 8.605) 9.193 5.162 ( -1.339 3.042 0.717) 3.400 5.431 ( -2.178 1.001 -0.484) 2.445 5.521 ( -5.261 0.891 -1.004) 5.430 5.619 ( 1.210 -0.505 -6.031) 6.172 5.741 ( 0.231 7.050 -0.726) 7.091 5.850 ( 4.190 2.912 -3.636) 6.265 5.907 ( -1.933 -1.329 1.182) 2.627 6.152 ( 1.852 1.134 -4.120) 4.657 6.275 ( 1.946 -1.230 2.580) 3.458 6.363 ( 0.177 -3.821 0.414) 3.848 6.440 ( 0.810 -4.578 -0.308) 4.659 6.606 ( 0.356 -7.925 -0.643) 7.959 6.869 ( -2.753 -4.684 -0.164) 5.435 7.144 ( 0.249 -8.609 1.264) 8.704 7.540 ( -2.703 1.764 -1.755) 3.673 7.663 ( 0.729 3.837 3.178) 5.035 7.929 ( 0.295 -2.350 -0.541) 2.430 12.249 ( 0.491 11.340 0.450) 11.360 13.522 ( -0.186 -1.447 0.467) 1.532 14.986 ( 1.793 -3.534 8.736) 9.593 15.603 ( 7.439 7.371 -7.414) 12.831 16.308 ( -4.465 -15.533 0.475) 16.169 17.340 ( -0.251 -13.482 -1.549) 13.573 ======================= Grid point 412 (174/324) ======================= q-point: (-0.21 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 5.357 20.779 7.957) 22.886 1.696 ( 0.988 19.200 16.766) 25.509 2.353 ( -3.157 11.636 -17.220) 21.021 2.679 ( -2.179 31.600 -1.286) 31.702 3.194 ( -0.403 13.740 -2.099) 13.905 3.432 ( 7.938 1.427 12.689) 15.035 3.786 ( 4.274 17.365 4.104) 18.348 3.831 ( 4.023 9.793 -1.417) 10.681 4.162 ( 1.564 6.538 5.680) 8.801 4.287 ( -4.275 7.277 -10.509) 13.478 4.471 ( -0.377 14.423 2.936) 14.723 4.568 ( -1.212 6.275 -7.708) 10.013 5.027 ( -2.870 0.481 4.658) 5.492 5.097 ( -3.260 3.238 1.859) 4.957 5.314 ( -1.931 8.361 -6.599) 10.825 5.515 ( -6.595 0.023 -2.706) 7.128 5.561 ( 0.791 -0.721 -3.350) 3.517 5.694 ( 5.214 2.334 3.749) 6.833 5.788 ( 1.380 3.408 -2.106) 4.238 5.940 ( -0.706 -2.029 -1.082) 2.405 6.134 ( 5.282 0.264 -5.002) 7.279 6.287 ( -1.863 -0.152 2.076) 2.793 6.472 ( 1.456 -6.488 4.513) 8.036 6.570 ( 0.866 -7.724 -0.461) 7.786 6.709 ( -0.035 -4.066 -2.639) 4.847 7.026 ( -1.117 -11.472 4.895) 12.523 7.268 ( 1.282 -1.768 1.630) 2.725 7.548 ( -5.609 -5.804 -1.715) 8.252 7.622 ( 1.574 1.649 3.506) 4.182 8.017 ( 1.085 -6.909 -1.936) 7.256 11.974 ( 0.704 18.023 1.206) 18.077 13.553 ( -0.336 -1.737 0.564) 1.857 14.930 ( 0.622 16.549 -7.336) 18.113 15.548 ( 14.279 -1.346 3.285) 14.714 16.618 ( -6.444 -19.844 1.616) 20.927 17.602 ( -0.656 -14.791 -2.038) 14.946 ======================= Grid point 413 (175/324) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 3.516 19.474 10.706) 22.500 1.455 ( 2.713 14.019 23.473) 27.475 2.000 ( -0.663 33.540 4.878) 33.899 2.099 ( -5.293 11.810 -17.948) 22.128 2.816 ( -2.394 22.948 -8.036) 24.432 3.346 ( 3.533 15.480 3.263) 16.210 3.630 ( 6.435 0.589 10.460) 12.295 3.695 ( 5.781 10.590 11.963) 16.990 3.982 ( 3.971 12.978 8.977) 16.272 4.112 ( -4.897 5.135 -14.659) 16.286 4.294 ( -0.418 5.152 -0.174) 5.172 4.439 ( -1.708 3.265 -11.334) 11.918 4.806 ( -5.488 16.720 -14.773) 22.977 5.056 ( -4.139 1.677 3.839) 5.889 5.193 ( -1.473 2.119 0.121) 2.583 5.494 ( -4.857 -2.525 -1.411) 5.653 5.614 ( 3.030 -0.367 -0.663) 3.123 5.656 ( 1.262 2.694 1.122) 3.180 5.735 ( 0.729 2.305 0.015) 2.418 5.963 ( 0.283 -1.384 -3.514) 3.788 6.172 ( 8.260 -1.861 -5.042) 9.855 6.289 ( -3.822 -0.782 3.544) 5.270 6.630 ( 1.725 -7.520 5.231) 9.321 6.718 ( -0.685 -7.927 0.654) 7.984 6.796 ( 0.364 -6.015 0.525) 6.049 7.192 ( 2.144 0.623 1.879) 2.918 7.309 ( 0.196 -7.005 5.385) 8.838 7.557 ( -2.514 0.747 3.340) 4.246 7.749 ( -0.356 -10.857 0.507) 10.874 8.172 ( 0.420 -9.479 -2.930) 9.931 11.608 ( 0.538 20.461 1.090) 20.497 13.584 ( -0.468 -1.499 0.520) 1.654 14.271 ( 1.983 48.426 -25.904) 54.955 15.779 ( 18.574 -9.956 12.015) 24.258 17.016 ( -7.433 -25.198 3.732) 26.536 17.868 ( -1.070 -13.835 -1.469) 13.954 ======================= Grid point 414 (176/324) ======================= q-point: (-0.07 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 1.383 13.323 15.359) 20.380 1.078 ( -0.899 33.549 11.414) 35.449 1.642 ( 8.433 5.384 29.160) 30.829 1.872 ( -7.711 4.743 -20.753) 22.642 2.332 ( -2.649 22.285 -9.281) 24.285 3.081 ( 2.282 12.107 0.697) 12.340 3.516 ( 3.175 11.962 15.318) 19.693 3.724 ( 4.379 -2.457 9.618) 10.850 3.887 ( 5.244 2.319 7.364) 9.334 3.977 ( -3.550 2.900 -11.731) 12.595 4.167 ( 0.434 7.736 -0.052) 7.748 4.408 ( -3.539 1.893 -10.108) 10.876 4.412 ( -4.174 10.214 -19.112) 22.069 5.013 ( -5.426 1.195 2.408) 6.055 5.163 ( -2.147 0.635 -1.478) 2.683 5.522 ( -0.955 5.153 -0.255) 5.247 5.542 ( -1.531 -2.533 0.471) 2.997 5.662 ( 2.349 1.486 -0.841) 2.904 5.719 ( -1.420 -1.036 -0.508) 1.829 5.981 ( 0.263 -1.494 -5.735) 5.932 6.231 ( 9.170 -0.971 -3.133) 9.739 6.300 ( -3.303 -1.188 1.693) 3.897 6.757 ( -0.178 -3.994 2.418) 4.672 6.884 ( -0.142 -8.388 4.042) 9.312 6.932 ( 1.754 -6.738 0.898) 7.020 7.133 ( 0.623 4.626 0.799) 4.736 7.448 ( 10.179 -2.256 6.942) 12.526 7.606 ( -7.698 -6.590 5.933) 11.743 7.946 ( -0.151 -9.339 -2.904) 9.781 8.374 ( 0.708 -13.196 1.157) 13.266 11.265 ( 0.130 14.601 0.185) 14.602 13.034 ( 0.428 69.853 -22.269) 73.318 13.610 ( -0.987 -0.857 0.468) 1.388 16.078 ( 22.197 -7.376 8.270) 24.810 17.493 ( -6.429 -25.206 1.742) 26.072 18.083 ( -1.334 -9.117 -0.196) 9.216 ======================= Grid point 416 (177/324) ======================= q-point: ( 0.07 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 9.599 0.000 9.554) 13.543 0.842 ( 7.360 0.000 17.349) 18.846 1.535 ( -10.678 -0.000 -17.331) 20.357 1.924 ( -2.302 -0.000 -9.851) 10.117 2.070 ( 10.246 0.000 26.218) 28.149 2.957 ( -2.662 -0.000 -0.220) 2.671 3.540 ( 2.981 0.000 12.290) 12.647 3.814 ( -1.543 -0.000 1.193) 1.950 3.844 ( -1.297 -0.000 -7.948) 8.053 3.966 ( -3.670 -0.000 -7.177) 8.061 4.031 ( -0.013 -0.000 -2.873) 2.873 4.080 ( 0.012 0.000 -0.020) 0.024 4.405 ( -0.017 -0.000 -3.102) 3.102 4.963 ( -1.009 -0.000 4.469) 4.582 5.126 ( 1.339 0.000 -2.780) 3.085 5.449 ( -0.401 -0.000 -0.070) 0.407 5.598 ( 0.418 0.000 -0.070) 0.424 5.626 ( -0.199 -0.000 -0.372) 0.422 5.700 ( -2.977 -0.000 3.183) 4.358 5.922 ( -2.183 -0.000 -7.832) 8.130 6.206 ( -7.089 -0.000 -2.360) 7.471 6.406 ( 12.429 0.000 -1.888) 12.571 6.800 ( -1.813 -0.000 2.827) 3.359 6.991 ( -1.426 -0.000 0.026) 1.426 7.016 ( -2.733 -0.000 0.483) 2.776 7.067 ( 1.418 0.000 0.021) 1.418 7.617 ( -2.513 -0.000 7.986) 8.372 7.721 ( 9.593 0.000 -2.242) 9.852 7.950 ( -2.406 -0.000 -3.972) 4.644 8.625 ( 1.649 0.000 0.598) 1.754 11.116 ( 0.063 0.000 -0.202) 0.211 12.151 ( 0.048 0.000 0.143) 0.151 13.617 ( 0.146 0.000 0.680) 0.695 16.437 ( 20.115 0.000 -9.815) 22.381 17.639 ( -12.998 -0.000 3.608) 13.490 18.153 ( -2.943 -0.000 0.981) 3.102 ======================= Grid point 417 (178/324) ======================= q-point: ( 0.14 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 1.471 -9.663 12.676) 16.007 1.293 ( 10.925 -31.196 6.602) 33.707 1.504 ( -10.754 -6.393 -11.711) 17.137 1.910 ( 3.703 -1.897 0.296) 4.171 2.366 ( 3.652 -19.308 7.962) 21.203 3.071 ( -3.466 -12.914 -0.188) 13.372 3.724 ( 2.383 -10.682 9.772) 14.672 3.756 ( -3.299 -0.027 -3.434) 4.762 3.813 ( -1.917 -1.160 -1.408) 2.646 4.031 ( 1.405 -1.334 2.133) 2.882 4.113 ( -2.494 -14.385 -9.393) 17.360 4.164 ( -1.148 -7.800 -1.920) 8.115 4.367 ( 0.390 2.191 -4.262) 4.808 4.999 ( 0.204 -2.224 7.402) 7.731 5.141 ( 2.673 -1.367 -2.551) 3.940 5.499 ( -1.384 -1.124 2.175) 2.813 5.547 ( 0.315 -0.489 -0.617) 0.848 5.631 ( -2.030 0.714 -2.589) 3.366 5.736 ( 0.415 -3.074 5.533) 6.343 5.874 ( -2.791 1.560 -7.118) 7.803 6.156 ( -7.341 0.969 -3.405) 8.150 6.442 ( 11.375 1.480 -1.640) 11.587 6.765 ( -2.008 3.380 2.232) 4.521 6.890 ( -2.851 6.836 1.153) 7.496 6.932 ( -1.641 7.995 0.521) 8.178 7.138 ( -0.222 -4.811 -0.174) 4.819 7.572 ( 0.387 5.776 7.828) 9.736 7.702 ( 3.599 2.667 -6.970) 8.285 7.881 ( 2.928 6.902 0.980) 7.561 8.404 ( 1.152 17.198 0.233) 17.238 11.271 ( 0.323 -15.366 -0.033) 15.369 12.834 ( -4.344 -59.417 -6.183) 59.896 13.611 ( 0.454 0.999 0.689) 1.296 16.402 ( 16.404 9.590 -13.246) 23.163 17.387 ( -9.961 19.324 7.394) 22.963 18.045 ( -3.398 9.559 1.470) 10.251 ======================= Grid point 418 (179/324) ======================= q-point: ( 0.21 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -3.919 -15.773 6.760) 17.602 1.622 ( -7.848 -13.059 -4.524) 15.893 1.912 ( 7.774 -16.537 13.286) 22.593 2.059 ( 4.080 -20.921 -9.391) 23.292 2.819 ( 0.650 -24.790 1.202) 24.828 3.366 ( -3.357 -18.886 -0.535) 19.189 3.730 ( -4.385 1.209 0.473) 4.573 3.811 ( -1.136 -7.555 -1.508) 7.788 3.958 ( -3.262 -1.125 -0.992) 3.590 4.197 ( 1.291 -14.323 3.557) 14.814 4.283 ( 2.014 -8.270 0.985) 8.569 4.339 ( 2.948 -5.374 -3.477) 7.047 4.460 ( -0.280 -19.530 -4.842) 20.124 5.076 ( -1.949 -3.687 7.583) 8.654 5.194 ( 4.400 -3.276 -1.511) 5.690 5.430 ( 0.975 5.655 4.042) 7.019 5.576 ( -3.087 0.509 -1.653) 3.539 5.667 ( -1.528 -5.693 0.084) 5.895 5.796 ( 0.448 0.659 -3.131) 3.230 5.830 ( -0.596 -2.369 0.243) 2.455 6.088 ( -8.231 1.243 -3.678) 9.101 6.444 ( 9.309 2.923 -1.602) 9.887 6.670 ( -1.444 6.377 1.519) 6.712 6.736 ( -0.946 9.190 1.494) 9.359 6.747 ( -4.476 8.360 1.134) 9.550 7.223 ( -0.481 -4.108 -1.011) 4.258 7.440 ( 4.366 10.889 1.666) 11.850 7.665 ( -1.943 0.524 -4.699) 5.111 7.731 ( 6.963 10.545 3.605) 13.140 8.125 ( -1.069 11.757 -0.547) 11.819 11.636 ( 0.709 -21.314 -0.251) 21.327 13.589 ( 0.383 1.618 0.684) 1.798 13.915 ( -7.375 -54.651 -4.214) 55.307 16.156 ( 8.024 17.959 -13.069) 23.616 16.978 ( -1.255 21.526 6.995) 22.669 17.803 ( -3.046 14.016 1.555) 14.427 ======================= Grid point 419 (180/324) ======================= q-point: ( 0.29 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -8.670 -17.912 0.795) 19.916 1.886 ( -3.272 -17.350 2.343) 17.811 2.119 ( 4.038 -8.658 1.237) 9.633 2.571 ( 2.917 -24.366 -0.297) 24.542 3.245 ( -0.363 -18.484 -0.871) 18.508 3.684 ( -5.879 -8.380 -6.341) 12.041 3.714 ( -2.674 -7.945 3.969) 9.275 3.927 ( -6.215 -3.352 -3.539) 7.898 4.024 ( -1.180 -13.900 1.814) 14.067 4.313 ( 6.884 -4.327 -2.436) 8.488 4.439 ( 2.631 -5.182 -0.121) 5.813 4.654 ( 0.870 -19.486 -2.726) 19.695 4.867 ( 2.520 -20.852 6.213) 21.903 5.145 ( -3.040 -3.120 3.904) 5.850 5.271 ( 4.277 0.543 -0.409) 4.331 5.358 ( 2.312 0.930 5.070) 5.650 5.557 ( -0.618 0.189 1.089) 1.266 5.700 ( -3.453 0.709 -3.881) 5.243 5.797 ( -0.743 -2.980 -3.006) 4.297 5.895 ( 0.353 -2.329 1.329) 2.704 6.034 ( -6.756 -0.922 -2.042) 7.118 6.407 ( 5.673 4.242 -1.342) 7.210 6.526 ( -1.191 8.168 1.641) 8.416 6.560 ( -0.887 8.445 0.214) 8.494 6.615 ( -3.228 4.345 0.209) 5.416 7.184 ( 2.624 11.548 -2.897) 12.191 7.302 ( -0.357 2.810 -0.841) 2.955 7.526 ( 5.973 9.025 3.756) 11.456 7.708 ( 1.169 -1.853 -1.888) 2.893 7.950 ( -2.897 5.740 0.345) 6.439 12.016 ( 0.757 -17.606 -0.877) 17.644 13.560 ( 0.300 1.696 0.405) 1.770 14.733 ( -6.490 -35.866 0.472) 36.452 15.780 ( 1.235 19.275 -10.112) 21.802 16.619 ( 3.764 19.004 3.513) 19.689 17.526 ( -2.090 13.981 1.576) 14.224 ======================= Grid point 420 (181/324) ======================= q-point: ( 0.36 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -10.536 -17.791 -1.629) 20.741 2.232 ( 0.287 -18.333 4.294) 18.831 2.332 ( 1.957 -12.595 -0.891) 12.778 2.959 ( 1.001 -15.912 2.759) 16.180 3.430 ( -3.074 -1.542 -3.085) 4.620 3.691 ( -6.075 -3.023 -3.988) 7.871 3.865 ( -2.973 -8.287 0.952) 8.856 4.138 ( -1.027 -16.624 0.403) 16.661 4.271 ( -1.323 -11.009 -1.302) 11.165 4.487 ( 5.481 -10.985 -3.122) 12.668 4.528 ( 3.172 -3.554 0.677) 4.811 4.917 ( -0.887 -6.746 -3.582) 7.689 5.141 ( -0.475 0.283 6.310) 6.334 5.187 ( 3.643 2.373 -0.300) 4.358 5.284 ( 1.888 -12.266 3.995) 13.037 5.451 ( 1.114 -5.055 1.935) 5.526 5.569 ( 2.323 -0.354 3.837) 4.499 5.650 ( -0.557 1.971 -2.997) 3.630 5.839 ( -3.938 -3.671 -2.642) 5.997 5.926 ( -0.623 -1.703 -0.323) 1.841 6.055 ( -1.436 -2.370 0.573) 2.830 6.334 ( 0.071 4.570 -0.720) 4.627 6.364 ( -1.342 7.856 -0.299) 7.975 6.433 ( -0.718 4.950 0.523) 5.029 6.564 ( -1.031 -0.647 -0.839) 1.478 6.951 ( 3.816 12.273 -2.493) 13.092 7.153 ( 0.483 11.161 1.292) 11.245 7.511 ( 2.977 -2.302 1.570) 4.077 7.754 ( 0.803 -3.295 -1.887) 3.881 7.881 ( -2.513 0.942 1.234) 2.953 12.274 ( 0.275 -9.466 -0.827) 9.506 13.532 ( 0.254 1.411 0.078) 1.435 15.226 ( -4.725 -19.548 0.538) 20.119 15.432 ( -1.010 14.623 -5.578) 15.684 16.310 ( 3.516 16.191 1.807) 16.667 17.279 ( -1.118 11.799 1.375) 11.932 ======================= Grid point 421 (182/324) ======================= q-point: ( 0.43 0.07 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -9.409 -15.883 -1.553) 18.526 2.575 ( 2.583 -15.861 1.788) 16.169 2.605 ( 0.408 -15.373 1.456) 15.447 3.214 ( 0.019 -9.645 3.379) 10.220 3.343 ( -3.839 4.687 -3.837) 7.171 3.732 ( -4.919 -4.589 -0.949) 6.794 4.034 ( -0.373 -8.663 2.181) 8.941 4.407 ( 0.230 -8.423 -3.082) 8.972 4.438 ( 0.289 -10.042 -2.205) 10.285 4.546 ( 1.194 -0.152 0.810) 1.450 4.739 ( 1.850 -7.355 -6.021) 9.683 4.870 ( -0.669 3.172 -0.184) 3.247 5.037 ( 2.146 8.818 2.762) 9.486 5.255 ( 0.628 -4.773 1.786) 5.135 5.489 ( -0.576 -5.924 2.137) 6.324 5.515 ( 0.764 -2.202 -2.976) 3.780 5.590 ( 2.518 1.965 1.720) 3.628 5.625 ( 1.758 0.016 3.698) 4.095 5.893 ( -2.232 -2.904 1.686) 4.033 5.963 ( 1.113 -2.959 -2.673) 4.140 6.087 ( 0.183 -0.928 1.344) 1.644 6.207 ( -1.515 6.429 1.175) 6.709 6.269 ( -1.686 2.617 -2.620) 4.069 6.360 ( -1.172 2.687 1.316) 3.214 6.616 ( -1.213 -4.121 -5.313) 6.832 6.779 ( 3.649 6.232 1.778) 7.437 6.967 ( 1.652 8.866 2.879) 9.467 7.590 ( 0.056 -4.729 -0.127) 4.731 7.821 ( -1.222 -3.151 -2.721) 4.339 7.888 ( 0.757 -2.047 2.794) 3.546 12.383 ( -0.445 -2.905 0.391) 2.964 13.510 ( 0.245 1.048 -0.228) 1.100 15.176 ( -2.655 8.773 -7.566) 11.885 15.490 ( -1.604 -9.193 4.423) 10.328 16.059 ( 1.659 11.874 1.721) 12.112 17.080 ( -0.431 9.188 0.799) 9.232 ======================= Grid point 422 (183/324) ======================= q-point: ( 0.50 0.07 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -5.469 -11.717 -0.795) 12.955 2.858 ( 2.069 -11.746 1.463) 12.016 2.875 ( 0.370 -11.850 -0.143) 11.857 3.163 ( -2.017 7.575 -0.225) 7.842 3.435 ( -0.214 -9.021 1.696) 9.182 3.814 ( -3.311 -6.038 0.599) 6.912 4.164 ( 0.671 -3.216 0.987) 3.430 4.407 ( -0.004 4.825 -3.362) 5.881 4.525 ( -0.774 7.489 -1.987) 7.787 4.571 ( -1.162 -5.888 -4.439) 7.465 4.725 ( 2.783 -4.065 2.228) 5.407 4.877 ( 3.189 9.265 0.734) 9.826 5.001 ( -1.689 -8.070 -1.140) 8.323 5.340 ( 1.804 -2.836 1.841) 3.832 5.483 ( -0.280 2.221 -1.060) 2.476 5.540 ( 1.378 2.861 -1.787) 3.644 5.586 ( -3.840 -3.173 -0.184) 4.985 5.648 ( 2.894 0.480 4.381) 5.272 5.916 ( -1.579 -0.494 1.562) 2.275 6.031 ( 2.916 -2.664 -0.045) 3.950 6.083 ( 0.482 1.774 -0.797) 2.004 6.126 ( -1.377 1.708 1.772) 2.820 6.230 ( -1.156 -0.137 -2.648) 2.892 6.324 ( -0.742 1.157 1.876) 2.326 6.606 ( -0.270 0.701 -4.184) 4.250 6.761 ( 0.260 1.826 -1.092) 2.144 6.890 ( 2.553 0.116 5.345) 5.925 7.680 ( -0.773 -4.863 -0.289) 4.933 7.826 ( -1.092 0.635 -2.084) 2.437 7.965 ( 1.000 -3.341 2.234) 4.142 12.410 ( -0.887 -0.678 1.646) 1.989 13.494 ( 0.218 0.655 -0.366) 0.782 15.017 ( -1.714 5.526 -4.108) 7.096 15.620 ( -0.403 -4.655 2.139) 5.139 15.898 ( -0.106 5.853 2.023) 6.194 16.938 ( -0.013 5.621 0.131) 5.622 ======================= Grid point 423 (184/324) ======================= q-point: (-0.43 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 0.217 -2.513 -0.398) 2.554 2.978 ( 0.486 3.493 0.522) 3.565 2.993 ( -1.151 -1.621 -2.039) 2.847 3.093 ( 0.330 -2.856 1.372) 3.185 3.565 ( -0.084 -3.123 -0.047) 3.125 3.906 ( -0.552 -3.002 0.056) 3.053 4.126 ( -0.049 3.530 -0.638) 3.587 4.328 ( 0.861 3.216 1.366) 3.599 4.440 ( 0.120 -1.269 -0.866) 1.541 4.664 ( -1.973 -4.716 -0.644) 5.152 4.719 ( 3.469 7.001 -0.452) 7.827 4.798 ( 1.253 1.035 0.287) 1.650 5.067 ( -1.843 0.176 0.712) 1.984 5.365 ( -0.907 1.462 -0.266) 1.741 5.448 ( 0.948 0.812 0.575) 1.375 5.510 ( -0.494 -0.425 -3.173) 3.240 5.623 ( -1.117 -2.587 1.681) 3.281 5.650 ( 0.455 0.827 1.818) 2.048 5.926 ( -0.266 -0.951 1.207) 1.560 6.065 ( 0.044 0.421 -1.773) 1.822 6.070 ( 2.782 0.134 0.294) 2.801 6.104 ( -1.289 -0.531 0.956) 1.690 6.230 ( -1.778 -0.641 -2.016) 2.763 6.320 ( 0.101 -0.386 0.858) 0.946 6.622 ( -0.318 -2.604 -1.289) 2.923 6.692 ( 0.960 3.633 -0.849) 3.853 6.936 ( 0.696 -1.119 2.249) 2.607 7.758 ( 0.108 -3.316 0.397) 3.341 7.785 ( -0.420 2.633 -2.179) 3.443 8.000 ( -0.497 0.757 1.923) 2.125 12.423 ( -0.870 -0.748 1.563) 1.938 13.486 ( 0.162 0.188 -0.269) 0.366 14.925 ( -0.351 3.164 0.308) 3.198 15.683 ( 0.596 -1.983 -0.227) 2.083 15.853 ( -1.353 -0.633 1.578) 2.173 16.883 ( 0.177 -0.065 -0.146) 0.239 ======================= Grid point 424 (185/324) ======================= q-point: (-0.36 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 3.804 10.566 1.167) 11.291 2.851 ( -2.303 13.788 -1.071) 14.020 2.915 ( 0.903 4.636 -2.688) 5.435 3.160 ( 1.176 -3.555 2.504) 4.505 3.533 ( -0.655 4.359 -5.752) 7.246 3.881 ( 2.573 5.375 -0.112) 5.960 4.152 ( 0.721 -3.373 2.835) 4.465 4.301 ( 0.771 1.930 3.921) 4.438 4.507 ( 1.231 -3.936 0.276) 4.134 4.584 ( 2.250 5.093 -2.417) 6.070 4.703 ( -2.718 6.744 -0.756) 7.310 4.798 ( -0.895 -6.607 3.473) 7.518 4.996 ( 0.900 7.033 1.577) 7.264 5.308 ( -3.252 2.405 0.136) 4.047 5.439 ( -1.433 1.049 1.602) 2.392 5.515 ( -0.818 -0.936 -2.325) 2.637 5.628 ( 1.677 1.711 1.035) 2.609 5.710 ( -0.725 -5.957 -1.442) 6.172 5.947 ( 1.918 0.649 1.561) 2.557 6.006 ( -2.743 3.195 -3.488) 5.468 6.094 ( -0.387 -2.013 -0.878) 2.230 6.158 ( 2.889 -3.728 2.082) 5.155 6.229 ( -2.278 -1.479 -3.132) 4.146 6.348 ( 0.829 -2.396 1.051) 2.745 6.583 ( 0.360 4.915 -1.075) 5.044 6.729 ( 0.538 -4.897 0.842) 4.998 6.941 ( -1.119 -0.149 -1.080) 1.562 7.706 ( 0.189 4.867 -1.736) 5.171 7.808 ( 1.470 -0.726 1.246) 2.059 7.947 ( -2.230 3.855 1.255) 4.627 12.431 ( -0.545 0.238 0.463) 0.753 13.487 ( 0.077 -0.354 -0.009) 0.363 14.901 ( 1.123 0.298 5.550) 5.670 15.708 ( 1.444 -0.541 -2.836) 3.228 15.906 ( -2.182 -5.540 0.435) 5.970 16.945 ( 0.151 -6.328 -0.238) 6.335 ======================= Grid point 425 (186/324) ======================= q-point: (-0.29 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 4.328 17.190 4.027) 18.178 2.496 ( -1.637 20.979 2.793) 21.228 2.773 ( -0.804 9.132 -9.741) 13.376 3.263 ( 4.266 -4.104 7.345) 9.433 3.388 ( -1.626 8.572 -9.367) 12.802 3.761 ( 3.629 9.021 3.058) 10.193 4.139 ( -0.623 5.040 -5.408) 7.419 4.268 ( 5.495 5.339 10.314) 12.849 4.443 ( 0.872 10.693 -0.351) 10.735 4.540 ( -1.397 2.754 -3.096) 4.373 4.628 ( -4.284 -0.815 -1.474) 4.603 4.855 ( 2.979 4.110 3.956) 6.436 4.945 ( -1.460 -4.537 6.158) 7.787 5.242 ( 0.290 4.460 0.692) 4.523 5.414 ( -5.439 0.184 3.206) 6.317 5.514 ( -1.819 0.136 -2.804) 3.345 5.608 ( 0.333 0.552 -3.310) 3.372 5.805 ( 0.323 -3.627 -5.276) 6.411 5.868 ( -0.793 5.579 -0.166) 5.637 5.952 ( 0.885 2.614 -0.550) 2.814 6.133 ( -1.658 -2.172 -0.871) 2.868 6.246 ( 2.924 -3.472 0.306) 4.549 6.282 ( 1.129 -4.879 -1.020) 5.111 6.417 ( 1.544 -2.186 -0.628) 2.749 6.503 ( -0.422 0.686 3.026) 3.131 6.801 ( -0.588 -2.078 -2.091) 3.006 6.983 ( -2.120 -6.724 -1.381) 7.184 7.603 ( -0.046 5.270 -1.266) 5.421 7.771 ( 1.136 5.599 2.990) 6.448 7.902 ( -1.450 -0.520 -0.163) 1.549 12.394 ( -0.017 4.169 -0.059) 4.170 13.500 ( -0.026 -0.923 0.266) 0.960 14.956 ( 2.253 -2.966 10.072) 10.739 15.691 ( 2.818 2.257 -6.514) 7.448 16.046 ( -3.133 -10.535 0.104) 10.991 17.107 ( -0.102 -10.601 -0.828) 10.634 ======================= Grid point 426 (187/324) ======================= q-point: (-0.21 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 3.857 19.694 6.851) 21.206 2.110 ( -0.068 20.432 9.108) 22.370 2.524 ( -2.791 12.406 -14.072) 18.967 3.116 ( -2.507 17.443 -9.389) 19.967 3.355 ( 4.044 0.720 7.181) 8.273 3.600 ( 4.790 10.192 9.054) 14.450 3.998 ( 3.207 7.735 -3.547) 9.094 4.133 ( 1.724 15.064 2.687) 15.399 4.257 ( 1.432 5.472 1.379) 5.822 4.410 ( -2.951 9.482 -4.316) 10.828 4.574 ( -2.678 2.110 -5.102) 6.137 4.813 ( 1.860 9.593 5.963) 11.448 5.006 ( -1.030 -1.878 8.019) 8.300 5.162 ( -0.109 3.849 2.138) 4.404 5.393 ( -4.325 1.552 -4.002) 6.093 5.474 ( -4.180 0.940 -0.056) 4.285 5.559 ( -2.780 2.499 -8.511) 9.296 5.765 ( 3.540 1.898 -0.370) 4.033 5.860 ( 2.142 1.285 -3.486) 4.288 5.902 ( -0.639 1.052 1.522) 1.958 6.149 ( 1.262 -0.496 -2.366) 2.727 6.298 ( 0.972 1.405 1.017) 1.988 6.370 ( 0.335 -5.595 1.180) 5.728 6.446 ( 0.626 -4.845 -0.191) 4.889 6.613 ( 1.895 -6.271 -0.784) 6.598 6.846 ( -2.088 -6.482 0.601) 6.836 7.148 ( -0.559 -10.305 0.560) 10.335 7.508 ( -2.028 3.666 -1.705) 4.523 7.689 ( 0.933 3.700 2.988) 4.846 7.928 ( 0.076 -2.697 -0.422) 2.731 12.256 ( 0.566 10.912 0.526) 10.939 13.523 ( -0.152 -1.414 0.433) 1.486 15.056 ( 1.906 -1.245 10.763) 11.001 15.620 ( 5.855 3.836 -9.382) 11.705 16.271 ( -4.048 -14.919 0.649) 15.472 17.328 ( -0.578 -13.133 -1.673) 13.251 ======================= Grid point 427 (188/324) ======================= q-point: (-0.14 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 2.824 20.329 9.364) 22.559 1.801 ( 2.073 15.997 17.008) 23.441 2.223 ( -4.823 12.796 -16.919) 21.755 2.644 ( -1.738 29.104 -4.809) 29.550 3.190 ( 0.420 17.533 1.208) 17.579 3.561 ( 5.758 2.905 11.436) 13.129 3.818 ( 0.829 14.955 -0.548) 14.988 3.896 ( 6.655 7.091 5.269) 11.060 4.186 ( -2.922 9.120 -8.672) 12.919 4.204 ( -0.154 3.333 1.530) 3.670 4.477 ( -1.497 9.059 -0.615) 9.202 4.525 ( 0.390 15.317 -2.450) 15.517 5.007 ( -3.175 7.938 -2.769) 8.987 5.094 ( -1.989 2.586 5.948) 6.784 5.262 ( -1.557 5.677 -5.792) 8.259 5.430 ( -6.642 0.213 -4.426) 7.984 5.555 ( 0.188 -3.681 -0.880) 3.790 5.753 ( 3.819 3.115 2.195) 5.394 5.799 ( 2.528 3.635 -1.446) 4.658 5.915 ( -1.954 -1.819 -3.246) 4.203 6.172 ( 6.659 -1.211 -2.082) 7.081 6.270 ( -3.630 0.363 1.187) 3.836 6.503 ( 0.344 -7.381 3.734) 8.279 6.574 ( 0.555 -7.494 -0.464) 7.529 6.694 ( -0.861 -4.213 -1.598) 4.587 7.058 ( 2.162 -12.981 5.102) 14.114 7.288 ( 1.117 -0.960 1.392) 2.026 7.492 ( -4.203 -6.373 -1.651) 7.811 7.654 ( 1.743 1.264 2.563) 3.348 8.011 ( -0.080 -6.466 -1.768) 6.703 11.988 ( 0.861 17.935 1.127) 17.991 13.552 ( -0.308 -1.661 0.481) 1.756 14.894 ( -1.140 23.114 -5.392) 23.761 15.678 ( 11.968 -8.815 0.033) 14.864 16.577 ( -4.974 -19.381 2.694) 20.190 17.583 ( -1.186 -14.686 -1.872) 14.852 ======================= Grid point 428 (189/324) ======================= q-point: (-0.07 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.964 19.052 12.271) 22.683 1.605 ( 3.951 14.895 20.974) 26.026 1.923 ( -7.073 10.980 -17.768) 22.052 2.046 ( 2.076 29.132 0.945) 29.221 2.779 ( -0.146 25.026 -1.273) 25.059 3.382 ( 1.297 17.164 1.693) 17.296 3.714 ( 2.344 0.207 6.973) 7.359 3.823 ( 5.831 8.420 13.047) 16.587 3.986 ( -5.182 5.472 -13.937) 15.844 4.066 ( 3.563 13.323 9.174) 16.564 4.287 ( -0.604 3.741 -0.772) 3.867 4.374 ( -0.095 3.516 -9.339) 9.979 4.668 ( -5.795 19.022 -16.137) 25.609 5.044 ( -3.270 3.282 4.666) 6.575 5.187 ( 0.106 2.606 -0.665) 2.692 5.439 ( -4.761 -4.295 -0.421) 6.426 5.624 ( 0.409 -3.033 -1.618) 3.462 5.671 ( 0.825 6.538 0.581) 6.615 5.752 ( 2.223 2.801 0.744) 3.653 5.927 ( -1.786 -1.866 -6.383) 6.886 6.235 ( 3.057 -1.590 -0.527) 3.486 6.266 ( 1.767 -1.495 -0.227) 2.326 6.661 ( 0.170 -7.165 3.269) 7.877 6.720 ( -0.487 -8.619 2.213) 8.912 6.798 ( -1.409 -7.261 1.373) 7.522 7.223 ( 1.899 3.743 1.245) 4.378 7.341 ( 1.408 -10.952 4.088) 11.775 7.575 ( 1.965 -0.333 4.927) 5.315 7.741 ( -0.794 -10.114 -1.810) 10.305 8.157 ( -0.569 -9.763 -2.257) 10.037 11.619 ( 0.679 20.833 0.878) 20.863 13.582 ( -0.359 -1.496 0.482) 1.612 14.143 ( -3.374 51.412 -18.470) 54.734 15.982 ( 16.835 -13.455 2.278) 21.671 16.980 ( -6.163 -24.922 6.074) 26.381 17.848 ( -1.830 -14.058 -0.972) 14.210 ======================= Grid point 431 (190/324) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 12.360 0.000 2.629) 12.636 0.997 ( 9.351 0.000 8.506) 12.640 1.366 ( -10.942 -0.000 -5.706) 12.341 1.877 ( -0.214 -0.000 -2.883) 2.891 2.243 ( 6.589 0.000 7.780) 10.195 2.918 ( -5.411 -0.000 -0.424) 5.428 3.615 ( 1.375 0.000 5.879) 6.038 3.780 ( -3.334 -0.000 -1.370) 3.605 3.801 ( 0.223 0.000 -4.440) 4.446 3.903 ( -2.771 -0.000 -1.506) 3.154 4.040 ( -0.089 -0.000 -0.346) 0.357 4.080 ( 0.010 0.000 -0.022) 0.024 4.374 ( -1.603 -0.000 -4.301) 4.590 5.006 ( 0.539 0.000 9.114) 9.130 5.146 ( 6.713 0.000 -1.447) 6.867 5.443 ( -0.635 -0.000 -0.011) 0.635 5.600 ( -2.236 -0.000 -4.061) 4.636 5.603 ( 0.749 0.000 -0.009) 0.749 5.722 ( -0.589 -0.000 10.019) 10.037 5.857 ( -3.682 -0.000 -6.139) 7.158 6.125 ( -6.414 -0.000 -4.552) 7.865 6.500 ( 9.929 0.000 -2.353) 10.204 6.792 ( -3.168 -0.000 2.589) 4.092 6.976 ( -1.833 -0.000 0.014) 1.834 6.981 ( -3.671 -0.000 -1.133) 3.841 7.082 ( 1.802 0.000 0.000) 1.802 7.638 ( -5.765 -0.000 8.531) 10.296 7.716 ( 2.567 0.000 -12.143) 12.411 7.981 ( 7.886 0.000 2.560) 8.291 8.636 ( 1.071 0.000 -0.985) 1.455 11.116 ( 0.169 0.000 -0.078) 0.186 12.152 ( 0.036 0.000 0.047) 0.059 13.626 ( 0.923 0.000 0.752) 1.191 16.527 ( 15.812 0.000 -18.850) 24.604 17.546 ( -12.767 -0.000 7.388) 14.750 18.128 ( -4.145 -0.000 2.215) 4.700 ======================= Grid point 432 (191/324) ======================= q-point: ( 0.21 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 2.435 -5.971 1.053) 6.534 1.351 ( -3.500 -14.985 -5.845) 16.461 1.451 ( 5.941 -22.146 9.549) 24.838 1.938 ( 3.269 -3.867 -0.026) 5.064 2.409 ( 1.211 -15.879 -2.351) 16.098 3.028 ( -5.393 -13.521 -0.682) 14.573 3.727 ( -1.205 0.389 2.682) 2.966 3.767 ( -2.010 2.544 -0.827) 3.346 3.781 ( -1.306 -14.173 -1.006) 14.268 4.022 ( -2.843 -0.502 -4.721) 5.534 4.074 ( 0.161 -15.528 2.826) 15.784 4.167 ( 0.950 -7.301 1.419) 7.498 4.349 ( 1.522 0.553 -3.362) 3.732 5.041 ( -1.957 -1.438 8.171) 8.525 5.187 ( 9.159 -0.550 0.995) 9.229 5.495 ( -1.651 -4.207 0.711) 4.575 5.538 ( -0.622 3.097 -1.833) 3.652 5.613 ( -0.530 -0.564 0.899) 1.187 5.777 ( 0.647 -2.610 7.509) 7.976 5.812 ( -3.434 1.270 -4.797) 6.035 6.069 ( -6.738 1.369 -4.914) 8.451 6.518 ( 7.508 1.517 -3.388) 8.376 6.753 ( -2.975 3.149 2.217) 4.867 6.863 ( -3.069 6.760 -0.273) 7.429 6.921 ( -1.345 7.488 0.122) 7.609 7.138 ( 0.607 -4.281 -0.450) 4.347 7.611 ( -4.291 0.766 4.298) 6.122 7.650 ( 1.882 5.445 -8.427) 10.209 7.955 ( 8.550 7.290 1.887) 11.393 8.412 ( 1.036 17.767 -1.007) 17.826 11.273 ( 0.350 -15.503 -0.193) 15.508 12.775 ( -4.166 -55.646 -1.401) 55.820 13.621 ( 0.980 1.164 0.659) 1.658 16.430 ( 9.687 10.820 -21.495) 25.941 17.354 ( -5.933 15.729 8.676) 18.918 18.022 ( -4.068 9.360 2.938) 10.620 ======================= Grid point 433 (192/324) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -5.942 -12.995 -4.042) 14.850 1.575 ( -3.899 -14.834 7.300) 16.987 2.015 ( 2.663 -4.369 -4.749) 6.981 2.067 ( 6.970 -30.634 4.083) 31.681 2.811 ( -0.723 -24.802 -3.533) 25.063 3.326 ( -4.165 -19.366 -1.233) 19.847 3.681 ( -5.053 1.564 -2.488) 5.846 3.827 ( 0.251 -6.844 6.151) 9.205 3.883 ( -5.978 0.120 -6.496) 8.828 4.181 ( -1.658 -16.581 -7.863) 18.426 4.314 ( 2.661 -7.027 2.439) 7.900 4.359 ( 3.899 -7.242 -2.187) 8.511 4.496 ( 4.047 -20.426 10.132) 23.158 5.085 ( -3.499 -2.614 5.539) 7.054 5.256 ( 8.096 -1.973 2.092) 8.591 5.462 ( 1.246 4.582 1.680) 5.037 5.541 ( -3.101 -1.383 1.119) 3.576 5.652 ( -1.640 -2.648 0.062) 3.115 5.767 ( -1.110 0.576 -3.332) 3.559 5.851 ( 0.708 -2.970 4.204) 5.196 5.995 ( -7.256 1.086 -3.872) 8.296 6.492 ( 4.017 3.018 -4.500) 6.745 6.667 ( -0.518 5.528 0.822) 5.613 6.709 ( -3.838 7.433 0.898) 8.413 6.738 ( -0.676 10.280 0.773) 10.331 7.217 ( 0.490 -3.415 -1.243) 3.668 7.472 ( 2.532 11.623 -2.144) 12.087 7.627 ( -1.598 -2.453 -2.024) 3.559 7.811 ( 7.131 11.360 1.269) 13.472 8.114 ( -0.972 12.789 -0.240) 12.828 11.639 ( 0.572 -21.330 -0.955) 21.359 13.597 ( 0.609 1.843 0.541) 2.015 13.840 ( -7.091 -54.697 1.103) 55.166 16.115 ( 2.071 18.349 -18.942) 26.453 17.021 ( 2.864 19.877 6.059) 20.976 17.788 ( -3.101 13.731 3.285) 14.455 ======================= Grid point 434 (193/324) ======================= q-point: ( 0.36 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -10.733 -17.175 -4.972) 20.855 1.903 ( -0.177 -17.943 8.558) 19.880 2.129 ( 0.682 -8.853 -5.413) 10.399 2.617 ( 3.575 -23.102 5.318) 23.974 3.224 ( -1.243 -18.259 -3.627) 18.657 3.584 ( -6.766 -4.595 -9.039) 12.190 3.708 ( -2.604 -9.860 3.280) 10.712 3.846 ( -5.101 -7.589 -5.725) 10.788 4.043 ( -0.281 -11.441 7.077) 13.456 4.356 ( 6.094 -6.281 -4.265) 9.736 4.464 ( 1.961 -5.761 1.189) 6.201 4.629 ( 0.483 -18.829 -6.815) 20.030 4.956 ( 4.283 -20.034 12.232) 23.861 5.136 ( -2.795 -2.936 3.310) 5.233 5.306 ( 4.128 2.065 -1.586) 4.880 5.411 ( 2.133 0.472 5.237) 5.674 5.562 ( -0.311 -1.359 3.612) 3.872 5.657 ( -2.704 0.135 -1.630) 3.161 5.762 ( -2.031 -1.182 -4.788) 5.334 5.891 ( -2.862 -1.197 2.255) 3.835 5.991 ( -1.267 -3.416 -0.143) 3.646 6.420 ( 0.733 4.258 -4.424) 6.184 6.518 ( -1.403 8.969 -0.311) 9.084 6.557 ( -0.647 7.976 -1.022) 8.067 6.602 ( -0.379 4.156 3.554) 5.481 7.188 ( 2.461 10.053 -3.685) 10.987 7.291 ( -0.627 4.632 -1.490) 4.906 7.609 ( 7.239 8.150 3.872) 11.568 7.699 ( -0.165 -1.475 -3.491) 3.794 7.927 ( -3.001 5.942 1.159) 6.757 12.016 ( 0.547 -17.556 -1.691) 17.646 13.564 ( 0.306 1.841 0.212) 1.878 14.683 ( -6.035 -36.691 2.711) 37.283 15.716 ( -1.367 18.176 -13.291) 22.558 16.677 ( 4.981 19.665 2.678) 20.462 17.521 ( -1.785 13.778 3.098) 14.235 ======================= Grid point 435 (194/324) ======================= q-point: ( 0.43 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -11.771 -18.654 -4.105) 22.436 2.271 ( 2.375 -17.983 4.466) 18.681 2.333 ( -0.453 -13.672 -0.542) 13.690 2.998 ( 1.608 -14.779 6.632) 16.279 3.371 ( -4.296 -0.012 -6.134) 7.489 3.610 ( -5.426 -5.736 -6.012) 9.924 3.846 ( -2.454 -9.676 1.921) 10.166 4.136 ( 0.247 -17.816 -0.580) 17.827 4.252 ( -1.259 -9.586 0.018) 9.668 4.522 ( 4.778 -6.958 -1.653) 8.601 4.562 ( 3.701 -5.450 0.203) 6.591 4.888 ( -0.558 -7.050 -4.470) 8.367 5.160 ( -0.877 0.638 3.465) 3.631 5.200 ( 1.972 0.823 -4.090) 4.615 5.337 ( 1.989 -9.031 7.810) 12.104 5.469 ( 0.726 -3.147 1.652) 3.628 5.603 ( -0.823 -1.400 4.234) 4.535 5.644 ( 0.489 -0.073 0.874) 1.005 5.791 ( -1.739 -5.124 -2.910) 6.144 5.917 ( -1.238 -1.859 0.423) 2.274 6.058 ( 0.760 -2.919 0.907) 3.149 6.326 ( -0.266 4.752 -1.827) 5.097 6.345 ( -2.282 7.922 -0.499) 8.260 6.430 ( -0.540 4.999 -0.054) 5.028 6.562 ( 0.439 0.533 1.367) 1.531 6.968 ( 3.124 11.398 -2.976) 12.188 7.159 ( -0.286 9.283 0.241) 9.291 7.554 ( 3.918 0.938 1.922) 4.463 7.740 ( -0.719 -3.427 -3.399) 4.880 7.871 ( -1.712 -0.172 2.356) 2.918 12.270 ( 0.176 -9.533 -1.198) 9.610 13.534 ( 0.178 1.479 -0.111) 1.494 15.164 ( -5.159 -14.547 -5.161) 16.275 15.407 ( -0.818 7.817 -1.126) 7.940 16.351 ( 3.263 17.179 1.442) 17.545 17.280 ( -0.782 11.823 2.331) 12.076 ======================= Grid point 436 (195/324) ======================= q-point: ( 0.50 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -9.525 -17.956 -2.650) 20.498 2.600 ( 2.030 -16.140 -1.153) 16.308 2.629 ( 1.006 -14.945 5.778) 16.055 3.237 ( 0.008 -5.069 2.466) 5.637 3.287 ( -3.373 -0.483 -2.171) 4.041 3.687 ( -3.663 -5.651 -0.944) 6.800 4.043 ( -0.538 -9.695 2.827) 10.113 4.371 ( -1.223 -6.629 -8.508) 10.855 4.436 ( 0.857 -10.091 -0.083) 10.127 4.559 ( 0.901 0.488 0.681) 1.230 4.753 ( 5.007 -5.823 -1.531) 7.830 4.857 ( -1.016 2.258 -1.984) 3.173 5.052 ( 0.155 7.973 -0.964) 8.032 5.272 ( 1.063 -5.003 0.908) 5.195 5.484 ( -2.714 -5.230 -0.475) 5.911 5.507 ( 0.265 -0.229 0.041) 0.353 5.609 ( -1.127 1.493 2.755) 3.330 5.671 ( 3.686 -0.592 4.010) 5.479 5.892 ( -0.190 -2.841 2.459) 3.762 5.956 ( 0.470 -4.466 -2.408) 5.096 6.100 ( 1.173 -0.680 0.842) 1.597 6.198 ( -2.034 5.891 0.973) 6.307 6.251 ( -0.126 2.881 -0.687) 2.964 6.363 ( -0.159 2.379 2.260) 3.286 6.579 ( -0.685 -1.466 -4.743) 5.012 6.809 ( 2.023 5.385 0.173) 5.755 6.996 ( 1.130 7.390 2.612) 7.919 7.596 ( 0.876 -3.471 0.681) 3.644 7.791 ( -1.750 -2.860 -3.057) 4.537 7.909 ( 0.672 -3.046 2.435) 3.957 12.382 ( -0.355 -3.071 0.525) 3.135 13.510 ( 0.165 1.072 -0.363) 1.144 15.095 ( -3.708 5.972 -10.356) 12.516 15.513 ( -0.115 -7.887 6.232) 10.053 16.081 ( 1.031 12.593 1.551) 12.730 17.082 ( -0.216 9.334 1.190) 9.412 ======================= Grid point 437 (196/324) ======================= q-point: ( 0.57 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -4.783 -14.514 -1.126) 15.323 2.874 ( 0.437 -9.094 0.726) 9.133 2.892 ( 2.160 -12.344 1.675) 12.643 3.142 ( -1.893 5.467 -0.837) 5.846 3.450 ( 0.482 -8.433 3.523) 9.152 3.791 ( -2.357 -6.824 0.733) 7.256 4.174 ( 0.480 -1.569 0.832) 1.840 4.372 ( -1.770 1.576 -6.896) 7.291 4.499 ( -0.975 3.916 -2.265) 4.627 4.560 ( 1.056 -2.115 -1.280) 2.688 4.767 ( 3.361 -2.002 2.500) 4.642 4.900 ( 2.408 7.778 -1.231) 8.235 4.970 ( -2.779 -7.485 -2.176) 8.275 5.354 ( -0.498 -2.894 -0.212) 2.944 5.470 ( -1.450 1.109 -1.979) 2.692 5.543 ( -2.739 1.044 1.595) 3.337 5.569 ( 2.550 0.577 1.576) 3.053 5.702 ( 4.002 0.746 3.877) 5.622 5.902 ( -2.309 -0.342 0.397) 2.368 6.052 ( 1.291 -3.354 -0.273) 3.605 6.092 ( 1.687 1.581 0.016) 2.311 6.118 ( -1.224 2.194 0.299) 2.530 6.219 ( -0.428 0.712 0.549) 0.996 6.340 ( 1.338 1.425 2.865) 3.468 6.570 ( -2.043 -1.154 -4.544) 5.114 6.752 ( -0.421 2.974 -2.319) 3.795 6.940 ( 2.233 0.540 4.372) 4.939 7.680 ( 0.310 -4.559 0.912) 4.659 7.806 ( -0.710 -0.099 -1.758) 1.899 7.979 ( -0.054 -2.825 1.259) 3.093 12.412 ( -0.739 -0.687 1.851) 2.108 13.493 ( 0.179 0.640 -0.420) 0.786 14.973 ( -2.128 3.220 -5.360) 6.605 15.636 ( 0.674 -3.941 3.106) 5.063 15.904 ( -0.783 6.423 1.792) 6.714 16.939 ( 0.076 5.707 0.197) 5.711 ======================= Grid point 438 (197/324) ======================= q-point: (-0.36 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 0.284 -4.938 -0.347) 4.959 2.961 ( -1.482 0.167 -1.517) 2.127 3.000 ( 1.221 2.500 1.119) 2.999 3.103 ( 0.472 -2.320 0.866) 2.521 3.565 ( 0.205 -1.364 0.004) 1.380 3.901 ( -0.650 -4.001 0.220) 4.059 4.122 ( -0.071 1.371 -0.347) 1.416 4.343 ( 1.115 2.709 0.653) 3.002 4.434 ( -0.328 -1.427 -1.017) 1.783 4.643 ( -1.618 -5.848 -0.839) 6.125 4.742 ( 1.951 5.778 -0.485) 6.118 4.819 ( 3.012 4.206 -0.099) 5.174 5.034 ( -4.787 -2.140 -0.709) 5.291 5.357 ( -0.816 2.218 0.016) 2.363 5.464 ( 1.040 0.596 0.474) 1.289 5.493 ( -0.527 0.765 -0.546) 1.077 5.606 ( -1.115 -2.533 0.321) 2.786 5.698 ( 4.169 2.208 3.701) 5.996 5.916 ( -1.728 -2.362 -1.002) 3.093 6.050 ( -1.394 1.976 -1.879) 3.062 6.074 ( -0.349 0.514 -1.734) 1.842 6.130 ( 3.896 -1.685 3.454) 5.473 6.204 ( -2.262 0.452 -0.642) 2.394 6.337 ( 1.791 0.109 1.859) 2.584 6.606 ( -1.550 -3.063 -1.139) 3.617 6.681 ( -1.118 1.964 -2.788) 3.589 6.955 ( 1.118 0.715 1.222) 1.804 7.765 ( 0.593 -3.779 1.060) 3.970 7.778 ( 0.689 2.689 -0.764) 2.879 7.997 ( -1.531 1.156 0.668) 2.031 12.424 ( -0.855 -0.536 1.544) 1.844 13.486 ( 0.171 0.152 -0.263) 0.349 14.924 ( -0.398 0.745 0.328) 0.906 15.692 ( 1.365 -1.303 0.142) 1.892 15.844 ( -2.120 -0.071 1.202) 2.437 16.884 ( 0.189 -0.071 -0.158) 0.256 ======================= Grid point 439 (198/324) ======================= q-point: (-0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 2.126 8.920 1.332) 9.267 2.828 ( -1.489 13.642 -1.017) 13.761 2.908 ( 0.800 6.978 -2.715) 7.530 3.183 ( 0.656 -6.198 2.646) 6.771 3.497 ( -0.506 6.162 -5.342) 8.171 3.901 ( 1.657 3.799 0.082) 4.146 4.158 ( -0.367 -0.866 -0.282) 0.982 4.341 ( 1.591 -2.135 5.945) 6.514 4.515 ( 0.497 -6.403 0.218) 6.426 4.596 ( 2.074 7.553 -0.836) 7.877 4.681 ( -1.245 9.293 -0.520) 9.390 4.805 ( -0.897 -8.182 2.007) 8.472 5.003 ( -0.757 4.865 0.764) 4.982 5.294 ( -0.190 2.752 1.798) 3.293 5.439 ( -1.034 2.444 1.629) 3.114 5.497 ( -0.771 -0.714 -1.061) 1.493 5.619 ( -2.282 0.783 -1.258) 2.721 5.722 ( 2.927 -2.823 -0.975) 4.181 5.954 ( -1.577 -1.336 -3.271) 3.869 5.967 ( -0.392 4.193 -1.243) 4.391 6.089 ( -0.260 -1.451 0.716) 1.639 6.191 ( -2.248 -1.526 -2.872) 3.954 6.208 ( 4.339 -3.829 3.670) 6.852 6.367 ( 1.580 -2.183 1.453) 3.061 6.570 ( -1.535 3.603 -1.545) 4.210 6.733 ( -0.341 -5.380 0.495) 5.414 6.921 ( -0.943 1.877 -2.788) 3.491 7.707 ( 1.220 5.131 -0.051) 5.274 7.830 ( 1.493 -1.921 1.167) 2.698 7.928 ( -2.715 4.692 0.423) 5.437 12.428 ( -0.673 0.297 0.397) 0.836 13.488 ( 0.127 -0.383 0.003) 0.404 14.944 ( 1.260 -1.825 6.266) 6.647 15.706 ( 1.503 0.202 -3.143) 3.490 15.884 ( -2.711 -5.219 0.175) 5.884 16.945 ( 0.098 -6.175 -0.265) 6.181 ======================= Grid point 440 (199/324) ======================= q-point: (-0.21 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 1.895 15.977 4.607) 16.736 2.499 ( -1.072 19.010 2.636) 19.222 2.714 ( -1.000 11.751 -8.852) 14.746 3.310 ( -2.080 3.352 -2.658) 4.757 3.345 ( 3.096 0.332 0.533) 3.159 3.807 ( 2.473 7.196 3.090) 8.213 4.099 ( -1.655 4.401 -5.187) 7.001 4.370 ( 5.197 6.570 7.761) 11.420 4.442 ( -0.037 10.982 -1.217) 11.049 4.515 ( -1.878 3.166 -1.690) 4.051 4.609 ( 0.537 1.243 2.897) 3.198 4.891 ( 1.533 3.346 1.477) 3.965 4.961 ( -1.391 -6.556 4.615) 8.137 5.262 ( 3.022 3.534 1.649) 4.933 5.380 ( -5.809 2.057 2.478) 6.642 5.483 ( -1.924 1.488 -1.516) 2.866 5.578 ( -1.505 1.631 -4.163) 4.718 5.766 ( -0.752 -1.373 -8.112) 8.262 5.879 ( 1.496 2.577 1.858) 3.511 5.955 ( 0.920 1.685 -1.290) 2.313 6.114 ( -1.944 -1.582 0.149) 2.511 6.250 ( -0.005 -5.740 -1.358) 5.898 6.312 ( 3.539 -3.282 1.363) 5.015 6.424 ( 1.089 -0.327 -1.777) 2.109 6.523 ( 0.443 -2.098 4.932) 5.378 6.779 ( -0.908 0.098 -3.531) 3.647 6.953 ( -2.245 -8.174 -1.718) 8.649 7.602 ( 0.605 6.161 -0.261) 6.197 7.792 ( 0.272 5.972 2.234) 6.381 7.890 ( -0.766 -1.658 -0.116) 1.830 12.393 ( -0.127 3.790 -0.038) 3.792 13.501 ( 0.052 -0.918 0.241) 0.950 15.035 ( 2.403 -4.203 11.118) 12.126 15.673 ( 1.337 2.571 -7.780) 8.302 16.019 ( -2.616 -10.306 0.205) 10.635 17.101 ( -0.275 -10.195 -0.794) 10.230 ======================= Grid point 441 (200/324) ======================= q-point: (-0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 1.109 18.772 7.615) 20.288 2.161 ( 0.453 17.551 8.788) 19.634 2.424 ( -3.189 14.456 -12.657) 19.477 3.042 ( -2.271 16.979 -9.160) 19.426 3.417 ( 2.118 2.898 5.465) 6.538 3.689 ( 3.381 6.743 9.113) 11.830 3.988 ( -0.447 5.083 -5.188) 7.277 4.163 ( 0.773 15.553 2.585) 15.786 4.276 ( 1.910 6.128 -0.721) 6.459 4.386 ( 0.549 12.939 0.628) 12.965 4.525 ( -1.682 2.650 -5.050) 5.946 4.859 ( 1.762 9.494 5.411) 11.069 5.043 ( 0.472 -2.104 6.864) 7.195 5.180 ( -0.101 5.364 3.931) 6.651 5.306 ( -5.483 3.227 -9.402) 11.352 5.444 ( -2.757 2.489 0.488) 3.747 5.510 ( -0.815 1.044 -3.260) 3.519 5.772 ( 1.219 -2.029 -5.787) 6.252 5.867 ( 1.429 1.816 0.733) 2.425 5.908 ( 0.670 2.665 0.089) 2.750 6.144 ( -0.822 -2.626 -0.832) 2.875 6.307 ( 0.675 3.777 -0.010) 3.837 6.379 ( 0.074 -7.001 1.092) 7.086 6.449 ( 0.152 -4.935 -0.195) 4.941 6.623 ( 1.081 -3.027 -1.775) 3.672 6.845 ( 0.854 -10.261 1.847) 10.461 7.142 ( -1.014 -11.739 0.061) 11.783 7.487 ( -0.941 5.381 -1.009) 5.555 7.712 ( 1.107 3.237 2.108) 4.019 7.925 ( -0.470 -2.589 -0.241) 2.642 12.264 ( 0.570 10.426 0.385) 10.448 13.524 ( -0.054 -1.359 0.383) 1.413 15.132 ( 1.298 2.105 11.473) 11.736 15.606 ( 3.090 -0.011 -11.122) 11.543 16.246 ( -2.227 -14.686 1.134) 14.898 17.313 ( -0.900 -12.714 -1.353) 12.818 ======================= Grid point 442 (201/324) ======================= q-point: (-0.07 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -0.583 19.800 9.977) 22.179 1.910 ( 2.018 12.826 15.188) 19.981 2.092 ( -4.368 14.474 -14.546) 20.980 2.600 ( -0.322 26.666 -7.123) 27.603 3.212 ( 1.025 19.000 3.566) 19.359 3.655 ( 2.630 5.618 8.854) 10.811 3.807 ( -1.854 11.393 -2.029) 11.720 3.973 ( 3.062 4.601 4.523) 7.142 4.100 ( -3.797 12.037 -7.620) 14.743 4.228 ( 2.940 2.246 0.079) 3.700 4.441 ( -0.815 4.674 -5.004) 6.896 4.557 ( 2.519 21.386 6.289) 22.433 4.943 ( -3.845 15.140 -8.101) 17.596 5.117 ( -0.905 2.889 6.779) 7.424 5.234 ( 0.148 0.797 -1.997) 2.156 5.359 ( -4.318 0.570 -2.609) 5.078 5.554 ( 0.141 -3.480 -0.008) 3.483 5.782 ( 1.287 2.236 -1.150) 2.825 5.811 ( 1.852 2.995 -2.195) 4.149 5.880 ( -1.578 0.308 -1.910) 2.497 6.190 ( -4.154 -2.253 -1.016) 4.833 6.270 ( 5.703 -0.161 0.339) 5.716 6.519 ( -0.507 -7.669 2.920) 8.222 6.574 ( 0.222 -7.659 -0.661) 7.691 6.674 ( -2.552 -4.584 -0.205) 5.250 7.114 ( 4.429 -13.968 3.381) 15.038 7.301 ( 0.531 0.001 0.649) 0.838 7.460 ( -1.395 -8.022 -0.341) 8.149 7.681 ( 1.850 1.440 1.210) 2.638 7.997 ( -1.271 -5.937 -1.284) 6.206 12.001 ( 0.929 17.825 0.685) 17.862 13.553 ( -0.135 -1.592 0.469) 1.665 14.849 ( -3.493 28.996 -3.556) 29.421 15.764 ( 8.661 -14.492 -3.429) 17.228 16.560 ( -2.247 -19.137 3.643) 19.609 17.561 ( -1.678 -14.496 -1.135) 14.637 ======================= Grid point 446 (202/324) ======================= q-point: ( 0.21 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 2.257 0.000 -11.379) 11.601 1.059 ( 12.651 0.000 -4.693) 13.493 1.331 ( -2.469 -0.000 17.424) 17.598 1.893 ( 2.271 0.000 5.443) 5.898 2.262 ( 0.778 0.000 -12.853) 12.877 2.857 ( -7.208 -0.000 -0.562) 7.229 3.609 ( -1.793 -0.000 -6.351) 6.600 3.758 ( -2.588 -0.000 0.768) 2.700 3.818 ( 2.817 0.000 4.837) 5.598 3.899 ( -1.031 -0.000 6.771) 6.849 4.003 ( -3.919 -0.000 -4.759) 6.164 4.080 ( 0.008 0.000 -0.023) 0.025 4.359 ( 2.157 0.000 -0.543) 2.224 5.039 ( -2.699 -0.000 7.118) 7.612 5.248 ( 12.618 0.000 4.375) 13.355 5.437 ( -0.702 -0.000 0.052) 0.704 5.558 ( -2.360 -0.000 -2.903) 3.742 5.611 ( 0.886 0.000 0.053) 0.888 5.772 ( -1.635 -0.000 5.153) 5.406 5.804 ( -1.676 -0.000 3.087) 3.513 6.041 ( -6.035 -0.000 -5.528) 8.184 6.549 ( 4.577 0.000 -5.027) 6.798 6.775 ( -3.182 -0.000 2.873) 4.287 6.947 ( -1.853 -0.000 -2.235) 2.904 6.959 ( -1.760 -0.000 -0.000) 1.760 7.098 ( 1.709 0.000 -0.021) 1.709 7.557 ( -7.676 -0.000 -8.186) 11.222 7.729 ( 2.039 0.000 3.423) 3.984 8.070 ( 9.036 0.000 -0.263) 9.040 8.635 ( 0.782 0.000 -2.330) 2.458 11.118 ( 0.246 0.000 0.057) 0.253 12.152 ( 0.015 0.000 -0.057) 0.059 13.640 ( 1.296 0.000 0.566) 1.414 16.510 ( 7.030 0.000 -27.424) 28.311 17.505 ( -5.677 -0.000 10.091) 11.578 18.103 ( -4.659 -0.000 3.699) 5.948 ======================= Grid point 447 (203/324) ======================= q-point: ( 0.29 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.162 -3.026 -10.309) 10.745 1.330 ( 0.238 -13.692 4.781) 14.505 1.559 ( 6.113 -22.117 7.425) 24.117 1.971 ( 3.006 -2.251 0.101) 3.757 2.366 ( -1.663 -17.551 -10.277) 20.406 2.969 ( -6.073 -14.367 -0.939) 15.626 3.692 ( -4.472 -1.267 -7.811) 9.090 3.717 ( -3.855 -6.175 -6.358) 9.666 3.809 ( 2.032 -1.101 9.705) 9.977 3.942 ( -4.682 -1.633 -8.529) 9.866 4.137 ( 2.713 -14.087 10.382) 17.709 4.184 ( 0.732 -9.774 3.651) 10.459 4.372 ( 4.577 -0.353 1.158) 4.735 5.052 ( -3.104 -0.951 5.981) 6.805 5.303 ( 11.172 0.976 4.875) 12.228 5.470 ( -3.011 -2.441 -1.172) 4.050 5.530 ( 0.236 0.924 -0.213) 0.977 5.625 ( 1.204 -0.902 1.941) 2.455 5.759 ( -2.933 0.125 -2.058) 3.585 5.834 ( 1.072 -0.896 9.393) 9.496 5.980 ( -6.714 1.641 -5.071) 8.572 6.533 ( 1.368 1.580 -6.369) 6.703 6.742 ( -1.906 2.875 2.214) 4.099 6.837 ( -1.647 6.922 -1.261) 7.226 6.906 ( -1.589 6.862 -0.941) 7.106 7.145 ( 1.489 -3.803 -0.399) 4.103 7.533 ( -3.804 -2.624 -8.894) 10.023 7.678 ( 0.991 6.791 4.450) 8.179 8.033 ( 7.476 7.553 -1.362) 10.714 8.413 ( 1.019 17.774 -1.998) 17.915 11.275 ( 0.315 -15.418 -0.349) 15.425 12.741 ( -3.573 -53.303 1.536) 53.445 13.634 ( 1.033 1.365 0.346) 1.746 16.345 ( 1.408 10.988 -28.225) 30.321 17.380 ( 1.145 13.639 9.066) 16.417 18.004 ( -4.091 8.966 4.468) 10.821 ======================= Grid point 448 (204/324) ======================= q-point: ( 0.36 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -6.338 -10.732 -8.542) 15.110 1.615 ( 0.612 -15.153 11.432) 18.991 1.965 ( -2.420 -7.384 -10.172) 12.800 2.160 ( 5.736 -26.305 3.868) 27.199 2.785 ( -0.290 -25.175 -2.351) 25.286 3.282 ( -3.602 -19.707 -1.376) 20.081 3.607 ( -5.945 1.346 -6.794) 9.127 3.759 ( -5.827 -0.995 -9.848) 11.486 3.914 ( 2.126 -5.424 13.047) 14.289 4.109 ( -2.059 -18.030 -10.696) 21.065 4.341 ( 0.785 -8.704 0.538) 8.756 4.391 ( 4.746 -4.777 -0.135) 6.736 4.611 ( 4.804 -21.071 15.204) 26.424 5.082 ( -2.938 -2.223 5.032) 6.237 5.342 ( 7.511 0.711 1.055) 7.618 5.452 ( -2.774 1.303 -0.517) 3.108 5.548 ( 0.657 -1.401 3.845) 4.145 5.645 ( -0.128 0.312 0.971) 1.028 5.745 ( -0.900 0.251 -2.116) 2.313 5.878 ( -1.776 -0.190 6.420) 6.664 5.926 ( -3.214 -1.779 -2.003) 4.185 6.471 ( -1.098 2.967 -6.700) 7.410 6.660 ( -0.622 5.918 -3.018) 6.672 6.685 ( -2.501 7.557 0.688) 7.990 6.742 ( 0.313 8.484 1.793) 8.677 7.219 ( 1.394 -2.755 -1.101) 3.278 7.467 ( 1.609 9.846 -5.411) 11.350 7.614 ( -1.113 -2.307 0.854) 2.700 7.871 ( 5.637 11.367 -0.848) 12.716 8.105 ( -0.725 13.655 -0.240) 13.677 11.636 ( 0.360 -21.183 -1.567) 21.244 13.604 ( 0.487 2.058 0.125) 2.119 13.798 ( -5.740 -54.490 5.013) 55.020 15.999 ( -1.999 16.860 -23.510) 29.000 17.091 ( 5.414 19.853 4.939) 21.162 17.783 ( -2.648 13.342 4.789) 14.421 ======================= Grid point 449 (205/324) ======================= q-point: ( 0.43 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -10.568 -16.500 -6.541) 20.657 1.960 ( 3.000 -17.309 5.059) 18.281 2.084 ( -3.859 -10.998 -3.157) 12.076 2.680 ( 2.763 -22.694 5.721) 23.567 3.193 ( -1.034 -16.938 -2.960) 17.226 3.464 ( -7.092 -2.373 -11.956) 14.102 3.704 ( -1.721 -9.415 2.960) 10.018 3.784 ( -1.814 -13.485 -4.963) 14.484 4.089 ( 0.431 -8.246 9.307) 12.442 4.375 ( 4.218 -10.958 -6.367) 13.357 4.484 ( 0.566 -5.857 1.787) 6.150 4.601 ( 1.135 -16.654 -6.000) 17.738 5.056 ( 3.251 -17.274 10.918) 20.693 5.133 ( -2.033 -2.836 3.981) 5.294 5.325 ( 2.241 2.647 -2.030) 4.019 5.442 ( 0.115 -0.814 2.802) 2.920 5.599 ( 1.238 0.042 6.491) 6.608 5.615 ( -4.129 -0.955 -2.635) 4.990 5.732 ( 1.051 -0.421 -2.218) 2.490 5.883 ( -2.421 -1.080 4.397) 5.135 5.995 ( 1.035 -4.215 0.764) 4.407 6.385 ( -1.720 3.366 -5.718) 6.855 6.498 ( -1.594 8.654 -2.354) 9.109 6.535 ( -1.543 6.995 -1.556) 7.331 6.636 ( 1.734 4.883 4.467) 6.841 7.192 ( 2.698 9.338 -3.610) 10.368 7.278 ( -0.231 5.869 -1.551) 6.075 7.666 ( -2.078 -2.232 -4.290) 5.264 7.695 ( 7.157 8.611 2.792) 11.540 7.908 ( -2.855 5.796 1.555) 6.646 12.009 ( 0.307 -17.578 -2.309) 17.732 13.567 ( 0.115 1.946 -0.063) 1.951 14.656 ( -4.317 -36.288 4.906) 36.871 15.617 ( -2.683 15.495 -16.054) 22.473 16.734 ( 4.686 20.758 1.871) 21.362 17.527 ( -1.216 13.698 4.209) 14.381 ======================= Grid point 450 (206/324) ======================= q-point: ( 0.50 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -10.696 -19.529 -4.764) 22.770 2.278 ( 0.291 -16.953 -7.645) 18.599 2.361 ( 0.716 -16.209 11.999) 20.180 3.052 ( 1.533 -14.134 7.329) 15.995 3.291 ( -4.509 1.099 -8.024) 9.270 3.530 ( -4.195 -9.279 -7.255) 12.503 3.848 ( -0.223 -9.674 3.798) 10.395 4.129 ( -0.220 -17.316 -2.138) 17.449 4.257 ( 1.017 -7.991 2.442) 8.417 4.551 ( 2.112 -3.666 0.550) 4.266 4.596 ( 4.268 -8.490 -1.702) 9.653 4.855 ( -0.833 -8.019 -5.918) 10.001 5.150 ( -2.136 2.995 -2.179) 4.276 5.204 ( 2.081 -1.941 0.154) 2.850 5.386 ( -0.373 -4.664 6.034) 7.636 5.480 ( 0.255 -2.278 0.615) 2.373 5.578 ( -6.323 -2.308 2.047) 7.036 5.683 ( 2.878 -1.770 6.112) 6.984 5.788 ( 3.310 -5.980 -2.342) 7.226 5.913 ( -0.682 -1.484 1.763) 2.403 6.073 ( 1.118 -2.954 1.028) 3.321 6.303 ( -1.747 3.933 -3.797) 5.739 6.327 ( -0.975 7.308 0.667) 7.403 6.422 ( -0.754 3.943 -0.502) 4.046 6.585 ( 1.867 2.431 2.926) 4.238 6.978 ( 2.525 11.091 -2.872) 11.732 7.152 ( -0.919 7.858 -0.582) 7.933 7.593 ( 2.209 2.650 0.644) 3.510 7.714 ( -0.527 -2.849 -2.910) 4.106 7.873 ( -0.888 -1.346 2.666) 3.116 12.264 ( 0.105 -9.823 -1.424) 9.926 13.534 ( 0.022 1.508 -0.284) 1.535 15.087 ( -4.166 -7.450 -7.027) 11.056 15.399 ( -0.624 -0.970 0.147) 1.163 16.383 ( 2.359 18.100 1.038) 18.283 17.289 ( -0.384 12.046 2.911) 12.399 ======================= Grid point 451 (207/324) ======================= q-point: ( 0.57 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -7.429 -19.970 -2.950) 21.510 2.603 ( 0.268 -18.263 -1.375) 18.317 2.679 ( 2.112 -13.075 7.000) 14.981 3.200 ( -3.163 2.536 -6.357) 7.539 3.300 ( 0.773 -9.179 6.642) 11.356 3.655 ( -1.931 -7.002 -1.382) 7.394 4.057 ( -0.046 -10.170 3.752) 10.840 4.308 ( -1.392 -4.519 -9.303) 10.435 4.448 ( 1.551 -8.301 -0.095) 8.445 4.570 ( 0.311 0.771 1.135) 1.407 4.792 ( 2.905 -9.245 -1.314) 9.779 4.841 ( 1.452 4.840 -1.744) 5.346 5.035 ( -0.762 6.442 -2.991) 7.144 5.279 ( -0.549 -4.038 -0.191) 4.079 5.433 ( -5.540 -2.055 -2.473) 6.406 5.518 ( 0.652 -1.410 1.959) 2.500 5.609 ( -2.063 -1.035 3.485) 4.180 5.735 ( 5.143 -0.656 4.065) 6.588 5.912 ( 1.431 0.758 2.009) 2.581 5.949 ( 0.349 -7.095 -1.018) 7.176 6.114 ( 1.029 -0.597 0.295) 1.225 6.177 ( -2.681 5.136 -0.192) 5.796 6.256 ( 0.520 2.602 0.935) 2.813 6.379 ( 0.631 1.018 2.591) 2.854 6.556 ( 0.560 2.022 -3.236) 3.856 6.820 ( 0.790 5.668 -0.791) 5.777 7.013 ( 0.101 5.519 1.623) 5.754 7.609 ( 0.792 -2.984 0.979) 3.239 7.763 ( -0.944 -3.153 -2.258) 3.991 7.924 ( 0.071 -2.976 1.660) 3.408 12.382 ( -0.224 -3.372 0.606) 3.433 13.509 ( 0.062 1.054 -0.442) 1.144 15.006 ( -3.526 4.006 -10.078) 11.404 15.549 ( 0.769 -7.318 5.654) 9.280 16.094 ( 0.329 13.213 1.288) 13.280 17.088 ( -0.028 9.638 1.372) 9.735 ======================= Grid point 452 (208/324) ======================= q-point: ( 0.64 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -2.915 -16.899 -1.223) 17.192 2.883 ( 0.747 -6.481 0.714) 6.563 2.920 ( 1.393 -12.988 2.245) 13.254 3.121 ( -1.534 2.950 -0.987) 3.468 3.481 ( 1.378 -7.381 4.437) 8.722 3.780 ( -0.863 -7.080 0.784) 7.176 4.179 ( 0.092 1.532 -0.524) 1.622 4.311 ( -2.373 -3.510 -7.005) 8.187 4.487 ( 0.262 3.366 -1.642) 3.754 4.563 ( 0.363 -0.608 -0.863) 1.116 4.805 ( 2.016 0.603 1.354) 2.502 4.914 ( 1.112 2.242 -0.922) 2.667 4.938 ( -0.298 -2.685 -1.433) 3.058 5.317 ( -5.748 -2.273 -2.647) 6.724 5.442 ( -1.222 -2.283 -2.201) 3.398 5.539 ( -0.885 0.691 2.657) 2.884 5.616 ( 3.485 1.287 3.585) 5.163 5.765 ( 5.468 1.370 3.550) 6.662 5.882 ( -1.647 0.744 -0.649) 1.920 6.055 ( -0.089 -2.498 -0.350) 2.524 6.081 ( -2.980 2.572 -1.009) 4.063 6.132 ( 2.961 -0.187 -0.064) 2.967 6.224 ( -0.233 1.625 2.856) 3.295 6.377 ( 2.908 1.801 3.501) 4.894 6.527 ( -2.578 -2.089 -3.283) 4.668 6.729 ( -1.163 4.201 -3.329) 5.485 6.973 ( 1.159 0.454 2.217) 2.543 7.691 ( 0.443 -4.428 1.010) 4.563 7.800 ( 0.673 -0.911 0.196) 1.149 7.977 ( -1.166 -2.208 -0.060) 2.498 12.416 ( -0.585 -0.637 1.893) 2.082 13.492 ( 0.129 0.586 -0.433) 0.740 14.925 ( -2.015 0.908 -5.314) 5.755 15.663 ( 1.243 -3.251 3.246) 4.759 15.904 ( -1.133 7.026 1.481) 7.269 16.941 ( 0.101 5.864 0.207) 5.869 ======================= Grid point 453 (209/324) ======================= q-point: (-0.29 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 0.311 -6.426 -0.334) 6.442 2.944 ( -0.677 -0.310 -1.050) 1.287 3.018 ( 0.931 3.466 1.663) 3.955 3.110 ( 0.303 -1.587 0.234) 1.633 3.568 ( 0.589 0.860 -0.354) 1.101 3.898 ( -0.506 -4.294 0.574) 4.361 4.121 ( -0.000 -0.975 0.122) 0.983 4.352 ( 0.791 0.820 -1.039) 1.542 4.425 ( -0.466 -1.057 -0.546) 1.278 4.625 ( -1.189 -5.742 -0.979) 5.945 4.752 ( 0.698 4.279 -0.133) 4.338 4.846 ( 2.509 7.279 -0.239) 7.703 4.987 ( -3.645 -3.489 -0.563) 5.077 5.336 ( -2.943 -1.947 -1.453) 3.816 5.473 ( 0.437 0.085 0.728) 0.853 5.499 ( 0.320 2.557 2.654) 3.699 5.616 ( 2.096 0.985 1.440) 2.727 5.752 ( 3.820 2.806 1.867) 5.095 5.890 ( -1.355 -2.636 -2.772) 4.059 6.016 ( -2.860 2.436 -2.894) 4.743 6.067 ( 0.374 -0.733 -1.004) 1.298 6.165 ( -0.703 -0.941 -0.876) 1.465 6.209 ( 2.891 0.693 5.970) 6.669 6.365 ( 1.760 0.712 1.976) 2.741 6.585 ( -1.772 -2.840 -0.519) 3.388 6.647 ( -2.150 0.458 -3.683) 4.289 6.965 ( 0.628 1.968 -0.621) 2.157 7.773 ( 0.434 -3.718 0.019) 3.743 7.794 ( 1.888 2.494 2.185) 3.816 7.980 ( -2.170 1.249 -0.534) 2.560 12.424 ( -0.861 -0.218 1.495) 1.739 13.486 ( 0.171 0.086 -0.262) 0.325 14.922 ( -0.308 -1.802 0.380) 1.867 15.707 ( 1.391 -0.477 0.363) 1.514 15.829 ( -2.171 0.599 0.978) 2.455 16.884 ( 0.129 -0.063 -0.170) 0.222 ======================= Grid point 454 (210/324) ======================= q-point: (-0.21 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 0.231 7.768 1.229) 7.868 2.813 ( -0.675 13.665 -0.666) 13.698 2.900 ( 0.656 9.296 -2.558) 9.664 3.199 ( -0.313 -8.204 2.436) 8.564 3.468 ( 0.005 7.530 -4.402) 8.722 3.909 ( 0.032 2.568 -0.245) 2.580 4.150 ( -0.516 1.950 -0.889) 2.204 4.383 ( 1.453 -4.711 3.752) 6.196 4.525 ( 1.067 -6.989 0.931) 7.131 4.610 ( 0.513 6.017 2.091) 6.390 4.674 ( -0.069 10.269 -0.105) 10.270 4.801 ( -0.985 -8.534 -0.448) 8.602 4.996 ( -0.830 2.845 -0.048) 2.964 5.317 ( 1.419 2.558 2.170) 3.642 5.436 ( -1.137 3.082 2.635) 4.212 5.498 ( 0.726 0.155 1.418) 1.601 5.592 ( -1.839 1.864 -1.080) 2.832 5.725 ( 0.695 0.379 -5.392) 5.450 5.919 ( -1.122 -0.342 -2.461) 2.726 5.965 ( 0.885 0.792 -1.644) 2.029 6.096 ( 0.094 -1.040 1.623) 1.930 6.158 ( -2.194 -1.909 -1.987) 3.522 6.271 ( 4.098 -2.909 4.307) 6.619 6.389 ( 1.465 -2.053 0.940) 2.691 6.541 ( -2.817 2.078 -1.331) 3.746 6.732 ( -0.270 -6.202 0.605) 6.237 6.895 ( -0.791 3.999 -4.004) 5.714 7.725 ( 1.659 5.763 1.305) 6.137 7.842 ( 0.131 -2.936 0.093) 2.940 7.908 ( -1.592 5.035 0.435) 5.299 12.423 ( -0.816 0.371 0.464) 1.010 13.489 ( 0.178 -0.430 -0.029) 0.466 14.989 ( 1.203 -4.111 5.883) 7.277 15.698 ( 0.343 1.549 -3.296) 3.658 15.863 ( -1.934 -5.099 0.497) 5.476 16.944 ( -0.017 -6.003 -0.250) 6.008 ======================= Grid point 455 (211/324) ======================= q-point: (-0.14 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -0.776 14.750 4.357) 15.400 2.506 ( -0.356 17.288 2.500) 17.472 2.661 ( -1.055 14.195 -7.261) 15.979 3.260 ( -2.218 9.529 -5.014) 10.994 3.388 ( 1.693 -5.814 3.324) 6.908 3.834 ( 0.148 5.069 1.953) 5.434 4.057 ( -1.878 5.296 -3.837) 6.805 4.434 ( -0.466 11.457 -0.497) 11.478 4.437 ( 3.131 8.363 2.346) 9.233 4.486 ( -1.645 -0.166 -1.459) 2.205 4.669 ( 4.607 5.367 8.031) 10.702 4.904 ( 0.705 1.035 0.337) 1.297 4.963 ( -1.587 -8.255 0.638) 8.430 5.310 ( 1.890 0.708 0.662) 2.124 5.335 ( -2.441 7.631 2.503) 8.394 5.473 ( -0.810 2.514 2.508) 3.643 5.547 ( -0.834 1.899 -2.990) 3.639 5.710 ( -1.174 -1.376 -8.849) 9.032 5.902 ( 1.127 1.030 1.630) 2.233 5.956 ( 1.410 1.356 -2.079) 2.855 6.099 ( -1.914 -0.612 0.960) 2.227 6.241 ( -0.641 -6.886 -0.863) 6.969 6.342 ( 1.335 -1.702 0.917) 2.350 6.413 ( -0.917 0.570 -2.778) 2.981 6.569 ( 3.073 -4.805 6.397) 8.570 6.746 ( -0.936 1.658 -5.225) 5.561 6.929 ( -1.272 -9.274 -0.731) 9.389 7.607 ( 0.281 7.058 0.015) 7.064 7.803 ( 0.160 5.383 1.526) 5.597 7.886 ( -0.320 -1.842 0.055) 1.870 12.391 ( -0.264 3.402 0.021) 3.412 13.503 ( 0.148 -0.921 0.171) 0.948 15.116 ( 2.188 -5.831 10.426) 12.145 15.630 ( -1.261 3.835 -8.349) 9.274 16.005 ( -0.830 -10.349 0.720) 10.407 17.094 ( -0.465 -9.787 -0.568) 9.814 ======================= Grid point 456 (212/324) ======================= q-point: (-0.07 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -2.410 17.942 6.889) 19.370 2.208 ( 0.263 15.184 6.674) 16.588 2.339 ( -1.902 16.173 -8.964) 18.589 2.983 ( -1.145 16.927 -6.692) 18.237 3.452 ( 0.376 3.575 3.310) 4.887 3.750 ( 0.093 4.111 6.771) 7.922 3.941 ( -2.926 4.460 -5.376) 7.573 4.168 ( -1.864 14.594 1.330) 14.773 4.283 ( 1.377 8.435 -1.699) 8.714 4.418 ( 3.597 14.780 1.820) 15.320 4.496 ( 0.738 3.465 -3.672) 5.102 4.905 ( 1.881 8.695 5.242) 10.326 5.087 ( 1.934 -4.607 4.818) 6.941 5.168 ( -5.858 7.490 -0.342) 9.515 5.245 ( 1.702 5.427 -3.133) 6.494 5.429 ( -0.714 5.725 -0.125) 5.771 5.505 ( 0.767 -1.680 0.802) 2.013 5.735 ( -1.065 -3.291 -7.062) 7.864 5.883 ( 0.240 2.750 1.117) 2.978 5.916 ( 1.614 2.414 -0.898) 3.039 6.121 ( -3.647 -2.397 -0.268) 4.373 6.316 ( 1.370 2.798 -0.032) 3.116 6.381 ( -0.584 -7.898 0.612) 7.943 6.446 ( -0.465 -4.796 -0.157) 4.821 6.611 ( -1.041 -0.439 -2.351) 2.609 6.879 ( 4.026 -13.086 1.384) 13.761 7.135 ( -0.505 -12.384 0.508) 12.405 7.479 ( 0.013 5.933 -0.250) 5.939 7.732 ( 1.438 2.905 1.067) 3.412 7.916 ( -1.344 -2.164 -0.075) 2.548 12.270 ( 0.503 9.969 0.058) 9.982 13.526 ( 0.091 -1.327 0.322) 1.369 15.198 ( -0.120 7.272 10.544) 12.809 15.558 ( 0.098 -4.908 -11.933) 12.904 16.246 ( 0.480 -14.818 1.666) 14.919 17.298 ( -1.160 -12.306 -0.661) 12.378 ======================= Grid point 461 (213/324) ======================= q-point: ( 0.29 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -0.953 -0.000 -9.045) 9.095 1.129 ( 11.014 0.000 -9.590) 14.605 1.442 ( 2.618 0.000 18.713) 18.896 1.974 ( 4.561 0.000 12.213) 13.036 2.136 ( -4.394 -0.000 -26.034) 26.402 2.784 ( -7.707 -0.000 -0.613) 7.731 3.535 ( -3.119 -0.000 -11.507) 11.922 3.708 ( -5.561 -0.000 -7.007) 8.946 3.868 ( -5.243 -0.000 -7.929) 9.506 3.882 ( 3.152 0.000 7.105) 7.773 4.039 ( 3.840 0.000 19.628) 20.000 4.080 ( 0.008 0.000 -0.023) 0.025 4.401 ( 4.633 0.000 3.265) 5.668 5.048 ( -2.736 -0.000 6.166) 6.746 5.391 ( 10.152 0.000 6.589) 12.103 5.432 ( -0.628 -0.000 0.103) 0.637 5.535 ( 0.778 0.000 -1.211) 1.439 5.619 ( 0.840 0.000 0.104) 0.846 5.745 ( -2.317 -0.000 0.387) 2.349 5.863 ( 1.107 0.000 10.239) 10.299 5.955 ( -6.607 -0.000 -3.989) 7.718 6.530 ( -0.596 -0.000 -7.543) 7.566 6.767 ( -2.010 -0.000 2.238) 3.008 6.916 ( -1.585 -0.000 -4.466) 4.739 6.944 ( -1.471 -0.000 -0.015) 1.471 7.112 ( 1.408 0.000 -0.039) 1.408 7.458 ( -3.051 -0.000 -7.952) 8.517 7.758 ( -0.343 -0.000 3.938) 3.952 8.132 ( 6.636 0.000 -3.857) 7.675 8.627 ( 0.756 0.000 -3.313) 3.398 11.121 ( 0.281 0.000 0.177) 0.332 12.151 ( -0.011 -0.000 -0.148) 0.149 13.653 ( 1.048 0.000 0.000) 1.048 16.368 ( -1.106 -0.000 -33.322) 33.340 17.550 ( 2.478 0.000 10.948) 11.225 18.085 ( -4.374 -0.000 5.041) 6.674 ======================= Grid point 462 (214/324) ======================= q-point: ( 0.36 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -0.247 -1.116 -8.647) 8.722 1.379 ( 5.168 -15.911 1.384) 16.786 1.639 ( 1.951 -17.019 8.928) 19.317 1.951 ( -1.887 0.573 -13.745) 13.885 2.324 ( 0.991 -21.851 1.033) 21.898 2.911 ( -5.403 -15.600 -0.841) 16.530 3.595 ( -4.629 -5.954 -12.195) 14.339 3.616 ( -7.003 -0.068 -12.186) 14.055 3.837 ( -2.257 -3.376 -5.274) 6.657 3.922 ( 2.619 -1.223 9.701) 10.122 4.167 ( 0.143 -8.400 -0.395) 8.411 4.271 ( 3.358 -13.260 16.994) 21.815 4.436 ( 5.488 -1.688 4.798) 7.483 5.058 ( -2.410 -0.700 6.042) 6.542 5.414 ( 6.480 1.983 2.197) 7.124 5.441 ( -2.083 -0.196 1.493) 2.570 5.535 ( 0.786 -0.199 -0.602) 1.010 5.658 ( 3.395 -1.654 2.620) 4.596 5.739 ( -0.316 0.222 0.999) 1.071 5.879 ( -3.067 -0.436 -1.546) 3.462 5.912 ( -2.548 1.584 8.202) 8.734 6.488 ( -1.779 1.643 -7.982) 8.341 6.734 ( -1.672 3.038 0.048) 3.468 6.811 ( -2.150 6.654 -3.420) 7.784 6.885 ( -1.366 6.029 -1.115) 6.282 7.159 ( 1.709 -3.642 -0.322) 4.036 7.475 ( 0.438 -3.409 -5.934) 6.858 7.698 ( -0.820 6.483 2.890) 7.145 8.072 ( 4.410 7.510 -4.599) 9.848 8.410 ( 1.113 17.427 -2.513) 17.642 11.275 ( 0.232 -15.123 -0.470) 15.132 12.725 ( -2.626 -52.333 3.140) 52.493 13.642 ( 0.565 1.499 -0.274) 1.625 16.170 ( -3.037 9.808 -32.138) 33.739 17.461 ( 5.376 13.605 8.572) 16.956 17.996 ( -3.434 8.488 5.600) 10.733 ======================= Grid point 463 (215/324) ======================= q-point: ( 0.43 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -5.392 -8.180 -7.544) 12.365 1.686 ( 4.593 -14.427 1.555) 15.220 1.877 ( -7.511 -7.172 -1.511) 10.495 2.199 ( 2.301 -28.317 -3.317) 28.603 2.799 ( 2.154 -23.838 5.097) 24.472 3.246 ( -2.594 -19.057 -1.787) 19.315 3.497 ( -6.868 -0.311 -11.588) 13.474 3.670 ( -2.732 -3.576 -8.882) 9.957 3.986 ( -0.732 -9.479 2.354) 9.795 4.056 ( 0.986 -13.077 1.102) 13.161 4.340 ( -0.034 -9.481 -1.462) 9.593 4.438 ( 3.833 -3.436 2.336) 5.653 4.733 ( 3.789 -20.289 14.707) 25.344 5.089 ( -1.833 -1.994 5.822) 6.421 5.381 ( 1.664 3.033 -2.638) 4.350 5.439 ( -0.655 0.102 2.040) 2.145 5.560 ( -0.566 -2.080 -2.187) 3.071 5.663 ( 0.808 2.850 4.061) 5.027 5.737 ( 1.624 0.338 0.535) 1.743 5.884 ( -2.370 -0.763 5.905) 6.409 5.928 ( 1.007 -2.182 3.686) 4.400 6.414 ( -2.455 2.737 -7.790) 8.614 6.621 ( -1.920 6.887 -6.276) 9.513 6.669 ( -1.933 6.963 0.833) 7.274 6.755 ( 0.345 6.263 1.216) 6.389 7.228 ( 1.605 -2.254 -0.832) 2.889 7.459 ( 3.166 8.207 -4.918) 10.078 7.605 ( -2.024 -0.428 0.595) 2.153 7.903 ( 3.007 9.661 -2.314) 10.379 8.099 ( -0.172 14.488 -0.403) 14.495 11.629 ( 0.131 -20.901 -1.954) 20.993 13.606 ( 0.045 2.142 -0.322) 2.167 13.789 ( -3.355 -54.552 7.469) 55.163 15.838 ( -3.333 14.479 -26.269) 30.180 17.166 ( 5.442 21.030 4.065) 22.099 17.791 ( -1.809 12.961 5.588) 14.229 ======================= Grid point 464 (216/324) ======================= q-point: ( 0.50 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -8.723 -15.702 -6.055) 18.956 1.940 ( -1.765 -14.974 -14.789) 21.120 2.102 ( 0.096 -15.234 16.817) 22.691 2.718 ( 0.853 -24.217 1.871) 24.304 3.181 ( 0.102 -13.119 0.267) 13.122 3.331 ( -6.322 -1.780 -13.843) 15.321 3.712 ( -0.158 -11.473 3.084) 11.881 3.758 ( 0.688 -16.073 -3.097) 16.383 4.143 ( 1.020 -6.536 7.257) 9.819 4.367 ( 1.890 -16.286 -6.306) 17.566 4.491 ( -0.900 -6.164 1.178) 6.340 4.586 ( 1.523 -12.184 -4.110) 12.948 5.124 ( 1.196 -12.578 6.404) 14.165 5.140 ( -1.864 -2.223 4.786) 5.597 5.337 ( 1.201 -0.118 1.670) 2.060 5.444 ( -1.498 -1.153 -0.191) 1.900 5.542 ( -4.471 1.155 -4.113) 6.184 5.665 ( 3.083 -1.257 6.589) 7.382 5.756 ( 3.789 -0.639 1.408) 4.093 5.895 ( -1.096 -0.173 5.883) 5.987 6.011 ( 1.202 -4.301 1.147) 4.610 6.333 ( -2.292 2.308 -6.665) 7.416 6.466 ( -1.406 7.013 -3.866) 8.130 6.521 ( -0.899 7.509 0.433) 7.575 6.669 ( 0.967 4.037 2.863) 5.042 7.197 ( 2.336 8.835 -3.368) 9.739 7.273 ( 0.938 7.505 -0.957) 7.624 7.612 ( -3.856 -0.754 -5.185) 6.505 7.772 ( 6.524 6.906 2.252) 9.764 7.890 ( -2.952 5.170 1.456) 6.129 11.997 ( 0.092 -17.669 -2.603) 17.860 13.565 ( -0.175 1.948 -0.297) 1.978 14.660 ( -1.672 -35.003 6.880) 35.712 15.499 ( -2.824 12.059 -18.009) 21.857 16.780 ( 3.324 21.932 1.338) 22.222 17.543 ( -0.582 13.760 4.582) 14.514 ======================= Grid point 465 (217/324) ======================= q-point: ( 0.57 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -7.230 -20.388 -4.384) 22.072 2.224 ( -2.547 -19.522 -7.438) 21.046 2.448 ( 2.964 -15.281 13.242) 20.436 3.095 ( 0.862 -13.865 3.852) 14.416 3.208 ( -3.630 0.493 -7.933) 8.738 3.459 ( -2.695 -11.602 -7.026) 13.828 3.886 ( 2.607 -8.845 6.395) 11.221 4.112 ( -0.888 -15.468 -2.127) 15.638 4.290 ( 2.744 -7.487 2.395) 8.325 4.565 ( -0.548 -2.372 1.687) 2.962 4.618 ( 3.521 -10.247 -3.324) 11.334 4.808 ( -1.568 -9.376 -7.433) 12.067 5.119 ( -1.723 3.808 -1.561) 4.462 5.223 ( -0.088 -1.917 1.204) 2.265 5.386 ( -3.234 -0.404 1.455) 3.569 5.484 ( -0.021 -2.899 1.811) 3.418 5.549 ( -2.511 -4.011 2.905) 5.553 5.744 ( 2.918 -2.350 5.674) 6.800 5.808 ( 2.639 -4.879 -1.541) 5.757 5.926 ( 1.037 -1.617 2.669) 3.288 6.087 ( 0.631 -2.699 1.129) 2.993 6.261 ( -2.620 3.896 -3.915) 6.113 6.329 ( 0.601 5.608 0.301) 5.648 6.414 ( -0.478 3.149 0.029) 3.186 6.622 ( 2.278 3.072 2.984) 4.851 6.983 ( 1.700 11.141 -2.605) 11.568 7.138 ( -1.188 7.428 -0.817) 7.567 7.589 ( -1.830 0.006 -1.901) 2.638 7.712 ( 1.943 0.417 -0.701) 2.107 7.882 ( -0.378 -2.013 2.482) 3.218 12.257 ( 0.067 -10.278 -1.472) 10.383 13.531 ( -0.143 1.479 -0.367) 1.530 15.016 ( -2.962 -1.580 -6.932) 7.702 15.398 ( 0.367 -8.096 0.160) 8.106 16.404 ( 1.182 18.787 0.766) 18.840 17.303 ( -0.040 12.406 2.978) 12.758 ======================= Grid point 466 (218/324) ======================= q-point: (-0.36 -0.71 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -3.407 -21.495 -2.619) 21.921 2.592 ( -1.245 -20.752 -0.913) 20.809 2.741 ( 2.812 -10.623 7.572) 13.345 3.136 ( -2.500 0.686 -7.183) 7.636 3.345 ( 1.367 -9.149 6.221) 11.148 3.636 ( -0.446 -9.015 -2.084) 9.263 4.087 ( 1.331 -9.144 5.225) 10.616 4.251 ( -0.894 -2.005 -7.819) 8.121 4.459 ( 1.506 -6.514 -1.399) 6.831 4.573 ( -1.035 0.921 0.877) 1.640 4.782 ( -0.201 -6.266 -2.892) 6.904 4.859 ( 1.488 -0.104 -1.753) 2.302 5.026 ( 2.013 4.725 -0.437) 5.154 5.242 ( -6.920 -1.630 -1.903) 7.359 5.385 ( -1.600 -1.577 -1.392) 2.643 5.538 ( 0.889 -1.352 2.119) 2.666 5.612 ( -0.531 -2.709 2.323) 3.608 5.796 ( 3.088 -1.311 3.250) 4.670 5.929 ( -0.015 -0.580 1.506) 1.614 5.964 ( 3.385 -4.228 1.256) 5.560 6.110 ( -2.470 0.724 -0.873) 2.718 6.157 ( -0.549 3.068 -0.528) 3.161 6.266 ( 0.694 2.362 0.925) 2.630 6.399 ( 0.829 -0.929 1.782) 2.174 6.555 ( 1.367 5.549 -1.197) 5.839 6.818 ( 0.095 6.467 -1.060) 6.554 7.016 ( -0.737 3.961 0.694) 4.089 7.616 ( -0.197 -3.494 0.233) 3.507 7.753 ( 0.493 -3.566 -0.465) 3.630 7.929 ( -0.492 -2.257 0.863) 2.466 12.384 ( -0.091 -3.747 0.605) 3.797 13.506 ( -0.032 1.001 -0.439) 1.093 14.926 ( -2.808 2.815 -8.385) 9.280 15.586 ( 1.469 -7.167 4.291) 8.482 16.101 ( -0.234 13.623 1.092) 13.669 17.096 ( 0.091 10.033 1.311) 10.119 ======================= Grid point 467 (219/324) ======================= q-point: (-0.29 -0.71 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -0.259 -18.234 -1.068) 18.267 2.895 ( 1.101 -3.832 0.438) 4.011 2.939 ( 0.023 -14.110 2.334) 14.302 3.105 ( -0.860 0.702 -0.706) 1.316 3.520 ( 1.969 -6.373 4.032) 7.794 3.784 ( 0.725 -7.037 0.828) 7.122 4.162 ( -0.916 4.795 -4.832) 6.868 4.269 ( -1.201 -6.852 -1.662) 7.152 4.482 ( 0.595 3.122 -2.180) 3.854 4.557 ( -0.305 -0.503 -1.107) 1.254 4.816 ( 0.069 1.879 0.090) 1.882 4.891 ( -3.001 -4.174 -0.595) 5.175 4.972 ( 4.863 4.265 1.022) 6.549 5.240 ( -6.713 -3.531 -2.395) 7.954 5.426 ( -0.063 -3.285 -1.781) 3.737 5.548 ( -0.371 0.797 2.448) 2.601 5.663 ( 2.978 -0.692 2.866) 4.191 5.827 ( 3.099 0.909 1.315) 3.487 5.873 ( 0.757 3.544 1.078) 3.781 6.032 ( -3.819 0.795 -1.659) 4.239 6.060 ( 0.614 0.428 -1.417) 1.603 6.145 ( 0.032 -0.553 -0.355) 0.658 6.251 ( 1.872 0.595 4.181) 4.619 6.423 ( 2.614 3.127 2.795) 4.942 6.491 ( -2.116 -3.428 -1.367) 4.255 6.698 ( -1.301 5.570 -3.407) 6.658 6.986 ( 0.130 0.402 0.358) 0.554 7.695 ( 0.043 -4.412 0.051) 4.412 7.822 ( 2.075 -1.909 2.897) 4.042 7.958 ( -2.107 -1.456 -1.450) 2.943 12.421 ( -0.463 -0.535 1.771) 1.908 13.491 ( 0.078 0.509 -0.405) 0.655 14.882 ( -1.542 -1.018 -4.262) 4.645 15.691 ( 1.213 -2.620 2.636) 3.909 15.901 ( -0.970 7.494 1.322) 7.672 16.943 ( 0.070 6.059 0.166) 6.062 ======================= Grid point 468 (220/324) ======================= q-point: (-0.21 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 0.281 -6.633 -0.367) 6.649 2.937 ( 0.141 -0.645 -0.598) 0.891 3.035 ( 0.768 3.970 1.871) 4.455 3.109 ( -0.503 -0.857 -0.585) 1.153 3.571 ( 0.767 2.969 -0.875) 3.188 3.899 ( -0.195 -3.600 0.880) 3.711 4.124 ( 0.131 -3.248 0.518) 3.292 4.345 ( -0.111 -2.005 -2.436) 3.157 4.422 ( 0.090 -0.223 0.135) 0.276 4.614 ( -0.211 -5.473 -0.645) 5.515 4.755 ( -0.045 3.733 0.002) 3.733 4.847 ( -2.265 7.655 -0.010) 7.983 4.978 ( 1.953 -2.763 0.050) 3.384 5.300 ( -3.156 -4.241 -0.323) 5.296 5.477 ( 0.337 -1.803 -0.455) 1.889 5.522 ( 0.362 2.619 4.031) 4.821 5.653 ( 3.159 3.795 2.570) 5.566 5.772 ( 0.089 5.001 -2.915) 5.789 5.868 ( -0.128 -2.470 -2.071) 3.226 5.981 ( -0.750 1.182 -2.235) 2.637 6.066 ( 0.326 -1.058 -0.779) 1.353 6.147 ( -1.978 0.277 0.102) 2.000 6.276 ( 3.417 -0.292 5.764) 6.707 6.384 ( 0.248 0.891 1.215) 1.527 6.564 ( -2.012 0.923 -1.460) 2.651 6.617 ( -0.281 -3.437 -1.474) 3.751 6.960 ( -0.157 2.742 -1.831) 3.301 7.775 ( 0.036 -3.940 -0.273) 3.949 7.829 ( 2.064 3.362 3.103) 5.020 7.955 ( -2.037 0.541 -1.143) 2.398 12.424 ( -0.885 0.143 1.453) 1.707 13.486 ( 0.162 0.004 -0.268) 0.313 14.922 ( -0.151 -3.986 0.423) 4.011 15.717 ( 0.187 0.501 0.121) 0.549 15.819 ( -1.001 1.084 1.224) 1.917 16.884 ( 0.041 -0.043 -0.172) 0.182 ======================= Grid point 469 (221/324) ======================= q-point: (-0.14 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -1.744 7.265 0.856) 7.520 2.809 ( 0.174 13.608 -0.171) 13.610 2.892 ( 0.392 11.302 -2.220) 11.525 3.202 ( -1.386 -9.184 1.920) 9.484 3.450 ( 0.411 8.185 -3.196) 8.797 3.899 ( -1.761 2.401 -0.470) 3.014 4.143 ( -0.073 3.686 -0.385) 3.707 4.405 ( 0.953 -5.196 0.733) 5.333 4.537 ( 0.602 -4.908 -0.013) 4.945 4.634 ( 0.702 3.903 4.777) 6.208 4.678 ( 0.255 5.990 1.115) 6.098 4.784 ( -0.559 -7.779 -2.587) 8.217 4.994 ( 0.587 3.154 -0.051) 3.209 5.323 ( -1.746 0.756 1.074) 2.185 5.462 ( 1.934 3.783 4.620) 6.276 5.520 ( 1.530 -0.304 2.493) 2.941 5.576 ( -0.509 4.695 -0.420) 4.741 5.680 ( -1.398 1.611 -8.410) 8.677 5.908 ( -0.023 -1.284 -0.541) 1.394 5.968 ( 2.078 0.258 -1.819) 2.774 6.106 ( -0.056 -0.637 1.960) 2.062 6.129 ( -2.069 -2.315 -1.291) 3.363 6.317 ( 1.089 -1.430 2.863) 3.380 6.394 ( -0.498 -0.874 -2.657) 2.841 6.524 ( -0.100 -1.200 2.491) 2.767 6.737 ( 0.681 -6.292 0.842) 6.385 6.866 ( -0.837 5.392 -3.903) 6.709 7.740 ( -0.185 6.489 0.499) 6.511 7.839 ( 0.048 -2.650 0.169) 2.656 7.906 ( 0.040 4.015 0.736) 4.082 12.418 ( -0.940 0.454 0.666) 1.238 13.491 ( 0.219 -0.493 -0.097) 0.548 15.026 ( 0.873 -6.125 4.276) 7.520 15.676 ( -1.535 3.133 -2.900) 4.536 15.858 ( -0.232 -5.092 1.158) 5.227 16.942 ( -0.130 -5.838 -0.192) 5.842 ======================= Grid point 470 (222/324) ======================= q-point: (-0.07 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -4.018 13.942 2.868) 14.790 2.520 ( 0.676 16.176 2.359) 16.361 2.620 ( -0.649 15.817 -4.609) 16.488 3.222 ( -1.538 10.514 -2.406) 10.895 3.405 ( -0.540 -6.446 1.055) 6.554 3.826 ( -3.063 3.475 -0.053) 4.633 4.031 ( -0.835 6.867 -1.082) 7.002 4.428 ( -1.050 12.302 0.286) 12.350 4.444 ( 0.441 7.450 -2.603) 7.904 4.495 ( 2.388 -0.349 1.635) 2.915 4.751 ( 3.850 11.056 5.295) 12.849 4.903 ( -1.093 -6.368 -2.309) 6.861 4.951 ( 0.385 -7.550 0.952) 7.619 5.270 ( -4.577 4.593 0.602) 6.512 5.404 ( 7.234 6.375 3.431) 10.235 5.490 ( 0.081 1.665 4.048) 4.378 5.533 ( 0.044 2.589 -0.568) 2.651 5.654 ( -0.971 -1.976 -8.024) 8.321 5.913 ( -0.504 0.488 1.303) 1.480 5.959 ( 2.002 1.535 -2.644) 3.654 6.089 ( -1.774 0.348 1.457) 2.322 6.229 ( -1.241 -7.238 -0.309) 7.350 6.342 ( -1.636 -0.232 -0.974) 1.918 6.385 ( -1.638 -1.461 -1.854) 2.873 6.639 ( 3.935 -2.438 6.094) 7.653 6.709 ( -0.051 -0.389 -6.132) 6.144 6.924 ( 0.156 -9.580 0.796) 9.614 7.605 ( -0.562 7.129 -0.393) 7.162 7.816 ( 1.125 4.892 1.371) 5.204 7.881 ( -0.739 -1.409 -0.044) 1.591 12.388 ( -0.389 3.087 0.116) 3.113 13.506 ( 0.232 -0.948 0.063) 0.978 15.182 ( 1.503 -7.962 7.238) 10.865 15.565 ( -3.471 6.212 -6.953) 9.949 16.012 ( 0.990 -10.637 1.277) 10.759 17.087 ( -0.591 -9.445 -0.185) 9.465 ======================= Grid point 476 (223/324) ======================= q-point: ( 0.36 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 0.294 0.000 -1.899) 1.921 1.160 ( 7.955 0.000 -10.815) 13.426 1.557 ( 3.862 0.000 11.921) 12.531 1.925 ( -8.597 -0.000 -28.002) 29.292 2.099 ( 5.790 0.000 15.783) 16.811 2.714 ( -6.539 -0.000 -0.531) 6.560 3.435 ( -3.897 -0.000 -13.569) 14.118 3.583 ( -8.290 -0.000 -14.179) 16.425 3.790 ( -2.002 -0.000 -7.925) 8.174 3.945 ( 2.664 0.000 6.447) 6.976 4.080 ( 0.010 0.000 -0.023) 0.025 4.206 ( 4.878 0.000 24.808) 25.283 4.468 ( 4.948 0.000 4.787) 6.885 5.060 ( -2.092 -0.000 6.749) 7.065 5.427 ( -0.458 -0.000 0.136) 0.478 5.463 ( -0.331 -0.000 4.129) 4.142 5.574 ( 5.999 0.000 0.386) 6.012 5.627 ( 0.650 0.000 0.135) 0.663 5.765 ( 4.714 0.000 4.934) 6.824 5.844 ( -6.798 -0.000 -4.652) 8.237 5.954 ( 0.396 0.000 12.006) 12.012 6.474 ( -1.631 -0.000 -8.473) 8.629 6.754 ( -2.310 -0.000 0.103) 2.313 6.858 ( -3.790 -0.000 -8.253) 9.081 6.933 ( -1.053 -0.000 -0.025) 1.053 7.123 ( 0.990 0.000 -0.051) 0.992 7.430 ( 2.923 0.000 -2.459) 3.820 7.764 ( -1.507 -0.000 1.625) 2.216 8.147 ( 2.958 0.000 -7.398) 7.968 8.614 ( 0.716 0.000 -3.815) 3.881 11.125 ( 0.265 0.000 0.257) 0.369 12.150 ( -0.036 -0.000 -0.209) 0.212 13.657 ( 0.307 0.000 -0.803) 0.859 16.156 ( -3.726 -0.000 -35.488) 35.683 17.650 ( 5.845 0.000 10.537) 12.050 18.079 ( -3.405 -0.000 5.825) 6.747 ======================= Grid point 477 (224/324) ======================= q-point: ( 0.43 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 0.069 1.500 -3.511) 3.819 1.415 ( 4.363 -18.445 -6.521) 20.044 1.702 ( 2.024 -12.795 7.565) 15.002 1.800 ( -8.277 -2.213 -18.567) 20.448 2.396 ( 4.681 -20.856 12.880) 24.956 2.865 ( -3.595 -16.926 -0.591) 17.313 3.469 ( -7.673 2.989 -15.104) 17.203 3.481 ( -4.631 -9.365 -14.825) 18.137 3.787 ( -0.647 -3.730 -6.943) 7.908 4.005 ( 2.467 -2.816 10.105) 10.776 4.162 ( -0.225 -7.859 -1.010) 7.926 4.394 ( 3.259 -7.687 16.394) 18.398 4.519 ( 5.013 -4.571 7.642) 10.219 5.075 ( -1.613 -0.647 7.041) 7.252 5.415 ( -1.567 0.998 0.515) 1.928 5.472 ( 0.988 0.914 1.324) 1.888 5.532 ( 0.254 1.737 -1.900) 2.587 5.684 ( -0.272 -1.533 0.336) 1.593 5.788 ( 4.494 1.808 4.725) 6.767 5.826 ( -0.772 -2.632 0.478) 2.785 5.972 ( 0.751 1.719 11.060) 11.218 6.426 ( -1.720 1.857 -8.683) 9.045 6.705 ( -2.270 4.194 -4.690) 6.689 6.759 ( -3.913 4.464 -4.001) 7.158 6.873 ( -0.583 5.425 -0.363) 5.468 7.170 ( 1.090 -3.733 -0.403) 3.910 7.479 ( 4.320 -2.775 -0.970) 5.225 7.696 ( -1.426 6.328 0.451) 6.503 8.062 ( 0.668 7.044 -7.533) 10.335 8.406 ( 1.001 16.795 -2.590) 17.023 11.274 ( 0.126 -14.679 -0.528) 14.689 12.726 ( -1.142 -52.707 3.780) 52.855 13.640 ( -0.147 1.493 -0.939) 1.770 15.962 ( -3.481 8.317 -32.933) 34.145 17.558 ( 5.633 14.745 7.836) 17.623 18.001 ( -2.272 8.034 5.946) 10.250 ======================= Grid point 478 (225/324) ======================= q-point: ( 0.50 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -4.287 -5.328 -4.682) 8.288 1.632 ( -4.189 -10.953 -20.335) 23.474 1.896 ( 0.552 -11.350 18.826) 21.990 2.177 ( -0.366 -30.764 -6.836) 31.516 2.874 ( 3.950 -21.108 11.115) 24.180 3.210 ( -2.253 -14.272 -4.171) 15.039 3.375 ( -4.976 -6.281 -11.545) 14.053 3.605 ( -1.345 -8.355 -9.082) 12.414 3.933 ( -2.118 -14.528 -9.679) 17.585 4.127 ( 2.246 -6.131 11.734) 13.429 4.329 ( -0.302 -9.555 -1.723) 9.713 4.484 ( 2.821 -2.057 3.521) 4.959 4.832 ( 2.275 -18.564 11.885) 22.160 5.110 ( -1.146 -1.721 6.893) 7.197 5.375 ( -0.437 2.617 0.498) 2.700 5.436 ( -1.537 1.459 -1.519) 2.608 5.518 ( -1.811 -0.317 -6.430) 6.688 5.694 ( -0.086 -0.362 6.152) 6.163 5.785 ( 5.085 1.668 3.065) 6.167 5.910 ( 1.410 -3.180 5.627) 6.615 5.964 ( 0.978 1.025 5.998) 6.163 6.347 ( -2.337 2.677 -8.710) 9.407 6.565 ( -2.162 6.296 -7.085) 9.722 6.658 ( -1.576 5.749 1.020) 6.047 6.757 ( -0.513 5.469 -0.218) 5.497 7.238 ( 1.277 -2.119 -0.471) 2.518 7.475 ( 4.879 8.699 -3.305) 10.507 7.581 ( -3.334 1.462 -0.700) 3.707 7.902 ( -0.065 6.480 -2.926) 7.111 8.098 ( 0.673 15.014 -0.621) 15.042 11.618 ( -0.053 -20.540 -2.035) 20.640 13.601 ( -0.517 2.015 -0.539) 2.149 13.817 ( 0.199 -55.082 8.528) 55.739 15.664 ( -2.977 12.254 -26.763) 29.585 17.229 ( 3.662 22.606 3.487) 23.165 17.809 ( -0.854 12.709 5.449) 13.854 ======================= Grid point 479 (226/324) ======================= q-point: (-0.43 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -5.181 -15.213 -4.504) 16.690 1.824 ( -5.733 -17.491 -13.342) 22.734 2.216 ( 4.137 -14.912 16.970) 22.967 2.718 ( -0.414 -26.619 -1.580) 26.669 3.177 ( -2.023 -0.964 -7.616) 7.939 3.222 ( -1.537 -9.281 -4.448) 10.406 3.725 ( -0.275 -20.385 1.436) 20.438 3.770 ( 3.476 -11.161 1.360) 11.768 4.167 ( -0.036 -10.072 -2.279) 10.327 4.357 ( 0.768 -15.886 -0.080) 15.904 4.483 ( -1.461 -6.642 0.509) 6.820 4.583 ( 1.472 -7.757 -2.401) 8.252 5.144 ( -1.612 -0.652 3.278) 3.711 5.153 ( -1.587 -8.432 4.831) 9.846 5.357 ( -0.455 -1.305 2.144) 2.551 5.420 ( -1.711 -2.717 0.798) 3.308 5.502 ( -0.057 -0.604 -3.850) 3.897 5.723 ( 2.328 -0.295 5.397) 5.885 5.802 ( 3.824 -0.415 1.991) 4.331 5.921 ( -0.288 1.180 5.575) 5.705 6.030 ( 1.386 -4.004 1.736) 4.579 6.274 ( -2.204 1.387 -7.356) 7.803 6.437 ( -0.535 5.081 -3.199) 6.028 6.523 ( 0.120 7.894 1.691) 8.074 6.683 ( -0.187 2.379 1.101) 2.629 7.195 ( 1.106 8.767 -3.162) 9.386 7.285 ( 2.075 9.504 -0.114) 9.728 7.544 ( -4.771 -0.780 -4.951) 6.920 7.838 ( 5.731 6.907 1.323) 9.072 7.868 ( -3.443 3.610 1.195) 5.130 11.983 ( -0.050 -17.800 -2.516) 17.977 13.561 ( -0.413 1.843 -0.351) 1.921 14.700 ( 1.540 -32.910 8.504) 34.026 15.376 ( -2.130 8.391 -18.929) 20.815 16.808 ( 1.394 22.876 1.066) 22.944 17.564 ( -0.040 13.932 4.192) 14.549 ======================= Grid point 480 (227/324) ======================= q-point: (-0.36 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -1.789 -21.164 -3.212) 21.481 2.158 ( -4.066 -22.386 -5.311) 23.363 2.554 ( 4.421 -13.736 13.469) 19.739 3.085 ( -1.072 -4.904 -8.713) 10.056 3.165 ( -0.556 -11.090 0.360) 11.109 3.409 ( -0.987 -11.456 -5.059) 12.562 3.959 ( 4.317 -8.109 8.079) 12.233 4.094 ( -0.926 -14.105 -1.298) 14.194 4.321 ( 2.291 -7.280 -0.977) 7.694 4.558 ( -2.492 -2.237 1.248) 3.574 4.628 ( 2.356 -10.750 -2.491) 11.283 4.751 ( -1.872 -9.531 -7.152) 12.062 5.107 ( -0.895 3.051 1.232) 3.410 5.194 ( -6.266 0.129 -0.482) 6.286 5.382 ( 1.232 0.098 1.726) 2.123 5.504 ( 1.432 -3.104 2.371) 4.160 5.549 ( -0.312 -4.151 1.298) 4.360 5.788 ( 1.561 -3.959 2.861) 5.128 5.817 ( 0.122 -1.451 0.272) 1.481 5.956 ( 1.938 -2.860 2.278) 4.138 6.097 ( 0.305 -1.751 1.458) 2.299 6.220 ( -1.486 2.885 -3.836) 5.025 6.339 ( 1.163 4.989 -0.009) 5.122 6.414 ( 0.117 3.001 0.659) 3.075 6.654 ( 1.692 2.719 2.022) 3.787 6.979 ( 0.267 10.920 -2.272) 11.157 7.123 ( -1.054 7.843 -0.530) 7.931 7.556 ( -2.408 -2.666 -1.808) 4.022 7.726 ( 1.284 2.259 -0.461) 2.639 7.893 ( 0.178 -1.901 2.055) 2.805 12.250 ( 0.062 -10.800 -1.337) 10.883 13.528 ( -0.250 1.412 -0.311) 1.467 14.960 ( -1.981 2.722 -5.732) 6.648 15.409 ( 2.147 -12.984 -0.284) 13.164 16.413 ( -0.057 19.115 0.652) 19.126 17.319 ( 0.210 12.817 2.570) 13.073 ======================= Grid point 481 (228/324) ======================= q-point: (-0.29 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 1.493 -22.164 -1.790) 22.287 2.572 ( -2.478 -22.876 -0.069) 23.010 2.812 ( 3.547 -7.622 7.675) 11.383 3.078 ( -1.625 -1.696 -7.564) 7.921 3.390 ( 2.041 -9.176 4.604) 10.467 3.625 ( 0.659 -11.300 -2.321) 11.554 4.136 ( 2.530 -6.937 5.794) 9.386 4.207 ( -0.826 0.211 -5.735) 5.798 4.454 ( 0.245 -5.302 -4.044) 6.673 4.564 ( -1.286 0.469 0.841) 1.607 4.777 ( 1.011 -5.382 -0.281) 5.483 4.835 ( -2.437 -2.151 -3.823) 5.018 5.058 ( 0.932 2.666 1.407) 3.155 5.158 ( -6.381 -0.945 -0.731) 6.492 5.383 ( 1.650 -0.313 -0.773) 1.849 5.551 ( -0.255 -0.882 1.434) 1.703 5.630 ( 2.576 -3.499 1.518) 4.603 5.814 ( -1.568 -1.282 0.965) 2.243 5.939 ( -0.130 -4.936 2.587) 5.574 6.013 ( 4.073 -0.409 1.652) 4.414 6.069 ( -3.232 2.988 -1.470) 4.640 6.156 ( 0.494 1.790 -0.691) 1.981 6.280 ( 1.535 1.720 0.398) 2.339 6.412 ( 0.642 -1.948 0.603) 2.137 6.560 ( 0.249 7.408 -0.243) 7.416 6.813 ( -0.032 7.185 -0.795) 7.229 7.010 ( -0.911 3.072 0.381) 3.227 7.612 ( -0.380 -4.205 -0.151) 4.225 7.760 ( 0.559 -4.460 0.420) 4.514 7.926 ( -0.667 -1.115 0.451) 1.375 12.386 ( 0.010 -4.123 0.516) 4.156 13.504 ( -0.096 0.940 -0.349) 1.007 14.866 ( -1.884 2.086 -5.800) 6.445 15.621 ( 2.083 -6.897 2.550) 7.642 16.103 ( -0.621 13.705 1.036) 13.758 17.104 ( 0.147 10.445 1.041) 10.498 ======================= Grid point 482 (229/324) ======================= q-point: (-0.21 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 2.458 -18.213 -0.704) 18.391 2.907 ( 1.315 -1.651 -0.183) 2.119 2.944 ( -1.450 -15.122 1.926) 15.313 3.099 ( -0.065 -0.897 -0.139) 0.910 3.556 ( 2.149 -5.331 2.389) 6.224 3.801 ( 1.895 -7.083 0.700) 7.366 4.118 ( -1.539 3.704 -6.083) 7.286 4.267 ( -0.030 -4.702 2.007) 5.113 4.473 ( 0.565 1.937 -2.849) 3.491 4.550 ( 0.169 -0.311 -0.595) 0.692 4.813 ( -1.030 2.097 0.143) 2.340 4.863 ( -3.205 -3.146 0.756) 4.554 5.001 ( 0.362 2.781 -1.311) 3.095 5.199 ( -0.346 -4.189 1.571) 4.487 5.420 ( 0.469 -3.163 -1.241) 3.430 5.556 ( -0.460 0.431 1.914) 2.015 5.700 ( 2.077 -1.489 1.604) 3.017 5.823 ( -1.478 -0.286 -1.958) 2.470 5.891 ( -1.775 6.016 0.740) 6.316 6.010 ( 2.191 2.267 -0.149) 3.157 6.062 ( 0.971 -0.269 -1.072) 1.471 6.135 ( -1.750 -0.197 -0.025) 1.761 6.293 ( 2.223 -0.906 2.889) 3.756 6.433 ( -2.217 4.360 0.094) 4.892 6.489 ( 1.808 -4.833 1.189) 5.295 6.675 ( -0.267 6.734 -2.038) 7.041 6.983 ( -0.527 0.605 -0.496) 0.943 7.696 ( 0.232 -4.418 -0.169) 4.427 7.861 ( 1.949 -3.626 3.713) 5.544 7.925 ( -2.499 0.004 -2.272) 3.378 12.426 ( -0.391 -0.410 1.524) 1.625 13.490 ( 0.035 0.434 -0.339) 0.552 14.852 ( -0.896 -2.365 -2.512) 3.565 15.711 ( 0.722 -1.786 1.372) 2.365 15.902 ( -0.408 7.535 1.450) 7.684 16.944 ( 0.030 6.252 0.091) 6.252 ======================= Grid point 483 (230/324) ======================= q-point: (-0.14 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 0.215 -5.484 -0.420) 5.504 2.940 ( 0.828 -1.038 -0.252) 1.351 3.052 ( 0.747 4.463 1.720) 4.841 3.093 ( -1.700 -0.508 -1.366) 2.239 3.572 ( 0.603 4.298 -1.146) 4.489 3.903 ( 0.072 -2.026 0.905) 2.220 4.128 ( 0.178 -5.009 0.473) 5.035 4.328 ( -0.602 -3.454 -2.138) 4.106 4.427 ( 0.662 0.027 0.263) 0.713 4.617 ( 1.361 -6.026 0.208) 6.182 4.749 ( -1.133 3.890 -0.257) 4.060 4.817 ( -3.534 5.523 0.219) 6.561 5.008 ( 3.745 -1.312 0.027) 3.969 5.286 ( -0.740 -3.881 2.395) 4.620 5.477 ( 0.253 -2.358 -0.587) 2.443 5.545 ( 0.217 1.256 3.469) 3.696 5.686 ( 0.216 3.044 0.828) 3.162 5.725 ( -3.021 7.588 -5.875) 10.060 5.864 ( 0.874 -2.695 -1.066) 3.027 5.987 ( 2.949 1.212 0.148) 3.192 6.063 ( 0.060 -0.950 -0.806) 1.247 6.133 ( -1.717 0.250 1.030) 2.018 6.316 ( -0.171 -0.055 2.461) 2.468 6.380 ( -1.261 0.664 -1.165) 1.840 6.549 ( 0.234 2.820 1.095) 3.034 6.625 ( 2.127 -5.298 0.217) 5.713 6.945 ( -0.811 3.242 -1.806) 3.799 7.771 ( -0.434 -3.226 -0.373) 3.276 7.853 ( 0.161 3.994 0.671) 4.053 7.941 ( -0.150 -0.850 0.750) 1.143 12.423 ( -0.907 0.476 1.450) 1.775 13.486 ( 0.151 -0.080 -0.276) 0.324 14.924 ( -0.043 -5.396 0.426) 5.413 15.711 ( -1.192 1.560 -0.400) 2.004 15.825 ( 0.360 1.191 1.751) 2.148 16.883 ( -0.008 -0.013 -0.164) 0.165 ======================= Grid point 484 (231/324) ======================= q-point: (-0.07 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -3.604 7.703 0.302) 8.510 2.815 ( 1.095 13.243 0.370) 13.293 2.884 ( 0.094 12.568 -1.665) 12.678 3.195 ( -2.003 -9.283 1.280) 9.583 3.439 ( 0.251 8.497 -1.860) 8.701 3.874 ( -3.045 3.356 -0.216) 4.536 4.145 ( 0.411 4.271 0.252) 4.298 4.413 ( 0.831 -5.295 -0.598) 5.393 4.536 ( 0.044 -3.627 -0.982) 3.757 4.658 ( -0.412 9.423 1.373) 9.532 4.683 ( -0.714 -4.269 0.606) 4.371 4.783 ( 2.970 -7.403 0.439) 7.989 5.003 ( 1.084 4.978 0.231) 5.099 5.312 ( -1.670 1.408 1.820) 2.844 5.493 ( 0.780 0.447 0.949) 1.307 5.553 ( 1.616 -0.485 4.560) 4.862 5.575 ( 0.444 5.296 -1.798) 5.610 5.627 ( -0.739 2.136 -5.402) 5.855 5.908 ( 0.237 -1.222 0.299) 1.280 5.983 ( 2.869 0.776 -1.214) 3.211 6.106 ( -1.971 -1.403 -0.498) 2.470 6.116 ( -0.177 -1.450 1.952) 2.438 6.319 ( -2.349 -0.530 -0.430) 2.446 6.354 ( -2.549 0.153 -3.760) 4.545 6.565 ( 3.758 -3.723 4.028) 6.648 6.751 ( 1.291 -5.075 0.498) 5.260 6.842 ( -0.603 5.245 -1.675) 5.539 7.725 ( -2.187 5.936 -1.192) 6.437 7.847 ( 0.565 -1.936 0.285) 2.037 7.916 ( 1.017 3.813 1.494) 4.220 12.414 ( -1.004 0.542 0.974) 1.500 13.492 ( 0.242 -0.565 -0.188) 0.643 15.048 ( 0.175 -7.308 1.582) 7.479 15.644 ( -2.287 4.410 -1.553) 5.205 15.869 ( 0.685 -5.145 1.707) 5.464 16.940 ( -0.173 -5.701 -0.095) 5.704 ======================= Grid point 491 (232/324) ======================= q-point: ( 0.43 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -0.889 -0.000 2.464) 2.619 1.158 ( 3.533 0.000 -9.591) 10.221 1.581 ( 0.349 0.000 -26.594) 26.596 1.755 ( -6.006 -0.000 7.880) 9.908 2.240 ( 5.553 0.000 16.796) 17.690 2.665 ( -3.415 -0.000 -0.240) 3.423 3.320 ( -4.533 -0.000 -14.621) 15.308 3.424 ( -7.430 -0.000 -16.509) 18.103 3.740 ( -0.299 -0.000 -7.503) 7.509 3.998 ( 1.951 0.000 5.129) 5.487 4.080 ( 0.012 0.000 -0.022) 0.025 4.379 ( 4.248 0.000 23.052) 23.440 4.538 ( 4.436 0.000 4.953) 6.650 5.082 ( -1.618 -0.000 7.807) 7.973 5.425 ( -0.229 -0.000 0.144) 0.271 5.458 ( -3.329 -0.000 0.666) 3.395 5.611 ( 2.363 0.000 0.355) 2.390 5.632 ( 0.362 0.000 0.140) 0.388 5.765 ( -6.548 -0.000 -0.116) 6.549 5.878 ( 11.065 0.000 7.070) 13.131 6.025 ( 1.251 0.000 10.841) 10.913 6.416 ( -0.714 -0.000 -8.879) 8.908 6.723 ( -2.694 -0.000 -3.869) 4.714 6.767 ( -5.080 -0.000 -8.348) 9.773 6.925 ( -0.554 -0.000 -0.029) 0.554 7.130 ( 0.505 0.000 -0.054) 0.508 7.475 ( 5.608 0.000 3.229) 6.471 7.753 ( -0.954 -0.000 -0.915) 1.322 8.107 ( -0.871 -0.000 -10.719) 10.755 8.599 ( 0.351 0.000 -3.824) 3.840 11.128 ( 0.199 0.000 0.281) 0.344 12.148 ( -0.056 -0.000 -0.226) 0.233 13.650 ( -0.479 -0.000 -1.408) 1.487 15.934 ( -3.083 -0.000 -34.210) 34.349 17.758 ( 5.322 0.000 9.641) 11.012 18.085 ( -2.007 -0.000 5.765) 6.104 ======================= Grid point 492 (233/324) ======================= q-point: (-0.50 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -1.962 3.670 0.541) 4.197 1.363 ( -4.415 -12.428 -14.571) 19.653 1.595 ( -4.303 -18.699 -22.924) 29.894 1.819 ( 2.965 -5.064 18.266) 19.186 2.521 ( 4.974 -19.868 15.846) 25.895 2.842 ( -0.776 -17.687 -0.124) 17.704 3.321 ( -5.826 2.462 -16.033) 17.236 3.356 ( -4.938 -9.620 -15.538) 18.930 3.749 ( 0.177 -3.648 -6.810) 7.728 4.071 ( 1.726 -4.463 7.240) 8.679 4.154 ( -0.128 -7.443 -0.824) 7.490 4.501 ( 3.264 -1.287 12.365) 12.854 4.605 ( 3.511 -7.780 9.426) 12.716 5.103 ( -1.262 -0.713 8.050) 8.179 5.407 ( -1.776 1.158 1.301) 2.488 5.452 ( -2.888 -0.043 -3.933) 4.880 5.528 ( 0.731 4.536 -1.246) 4.760 5.686 ( -0.113 -1.338 2.738) 3.049 5.783 ( -2.953 -3.696 2.526) 5.363 5.930 ( 10.499 1.465 6.686) 12.533 6.036 ( 1.415 2.330 9.021) 9.424 6.364 ( -1.081 2.407 -9.576) 9.933 6.641 ( -2.804 4.908 -9.177) 10.778 6.710 ( -3.731 1.802 -1.213) 4.317 6.868 ( -0.174 5.350 -0.115) 5.354 7.175 ( 0.464 -3.890 -0.292) 3.929 7.530 ( 4.395 -1.311 3.165) 5.573 7.684 ( -0.042 6.461 -1.648) 6.668 8.005 ( -2.781 6.008 -9.806) 11.832 8.400 ( 0.525 15.929 -2.360) 16.111 11.272 ( 0.022 -14.182 -0.508) 14.191 12.746 ( 1.144 -54.506 3.693) 54.643 13.630 ( -0.683 1.344 -1.237) 1.950 15.762 ( -2.569 7.164 -30.700) 31.629 17.641 ( 3.651 16.287 6.928) 18.072 18.017 ( -0.967 7.716 5.379) 9.456 ======================= Grid point 493 (234/324) ======================= q-point: (-0.43 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -3.643 -3.474 -1.629) 5.291 1.458 ( -9.499 -12.633 -18.072) 24.009 2.025 ( 5.241 -14.150 15.045) 21.309 2.135 ( -0.602 -30.299 -4.309) 30.609 2.977 ( 3.781 -17.951 13.094) 22.539 3.150 ( -2.406 -3.324 -9.957) 10.770 3.301 ( -0.990 -17.680 -5.301) 18.484 3.541 ( -1.495 -15.604 -10.206) 18.705 3.864 ( -1.676 -11.608 -9.004) 14.786 4.201 ( 1.594 -6.255 8.456) 10.638 4.321 ( 0.461 -9.391 -0.888) 9.444 4.528 ( 2.174 -0.316 4.293) 4.822 4.902 ( 1.057 -16.414 8.381) 18.460 5.138 ( -1.496 -1.065 7.177) 7.408 5.384 ( -0.304 0.727 2.302) 2.433 5.388 ( -3.710 2.779 -3.816) 6.004 5.483 ( 0.345 0.070 -4.299) 4.313 5.728 ( 0.242 -1.786 5.921) 6.189 5.832 ( 1.658 -0.414 1.682) 2.398 5.973 ( 4.173 -0.004 6.675) 7.872 6.007 ( 2.367 2.444 4.481) 5.626 6.277 ( -2.055 2.653 -9.716) 10.279 6.513 ( -1.291 4.864 -5.714) 7.615 6.652 ( -1.104 3.604 1.380) 4.014 6.747 ( -0.690 6.090 -0.966) 6.205 7.246 ( 0.758 -2.223 -0.167) 2.355 7.507 ( 4.896 10.303 -2.075) 11.594 7.537 ( -4.658 3.590 -2.053) 6.229 7.874 ( -2.447 2.843 -2.435) 4.472 8.104 ( 1.519 14.636 -0.788) 14.736 11.607 ( -0.154 -20.172 -1.797) 20.253 13.592 ( -0.832 1.728 -0.399) 1.959 13.886 ( 4.975 -55.996 8.185) 56.809 15.501 ( -2.282 10.623 -24.752) 27.032 17.268 ( 1.052 24.078 2.962) 24.282 17.832 ( -0.054 12.627 4.527) 13.414 ======================= Grid point 494 (235/324) ======================= q-point: (-0.36 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -0.348 -15.621 -2.258) 15.787 1.703 ( -7.137 -20.695 -8.816) 23.600 2.351 ( 6.133 -14.027 14.847) 21.326 2.703 ( -0.373 -28.631 -2.210) 28.719 3.081 ( -1.934 1.346 -14.281) 14.474 3.234 ( 1.005 -7.851 2.704) 8.364 3.726 ( -0.208 -22.562 0.266) 22.565 3.828 ( 4.612 -12.086 5.358) 14.002 4.112 ( -3.162 -16.558 -11.215) 20.247 4.383 ( 1.386 -11.413 4.452) 12.328 4.477 ( -0.468 -6.220 1.065) 6.328 4.585 ( 1.107 -4.837 -1.328) 5.136 5.141 ( -4.459 0.018 3.850) 5.891 5.152 ( -1.789 -3.929 2.413) 4.946 5.352 ( -0.439 -2.656 1.024) 2.880 5.440 ( 1.559 -5.549 3.292) 6.638 5.486 ( 0.852 -1.035 -3.654) 3.893 5.762 ( 0.721 -0.098 3.502) 3.577 5.839 ( 2.022 0.761 1.060) 2.407 5.944 ( -0.326 1.758 3.418) 3.857 6.059 ( 2.553 -2.834 2.776) 4.717 6.218 ( -1.097 0.274 -7.095) 7.184 6.421 ( 0.085 3.638 -2.119) 4.211 6.541 ( 1.187 8.261 2.336) 8.667 6.681 ( -0.620 0.459 0.084) 0.776 7.181 ( -0.778 9.616 -3.010) 10.106 7.303 ( 1.381 11.160 -0.102) 11.245 7.481 ( -3.583 -2.214 -3.030) 5.188 7.837 ( -4.063 4.595 0.346) 6.143 7.894 ( 4.868 4.874 0.910) 6.948 11.970 ( -0.097 -17.933 -2.071) 18.052 13.555 ( -0.491 1.701 -0.167) 1.779 14.779 ( 4.965 -29.728 9.731) 31.672 15.260 ( -0.959 4.537 -18.838) 19.401 16.816 ( -0.736 23.400 0.898) 23.429 17.586 ( 0.349 14.153 3.252) 14.526 ======================= Grid point 495 (236/324) ======================= q-point: (-0.29 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 4.050 -21.639 -1.479) 22.064 2.097 ( -4.744 -24.721 -2.252) 25.273 2.671 ( 5.418 -12.422 12.853) 18.678 3.014 ( -0.607 -0.919 -12.411) 12.460 3.176 ( 1.137 -18.251 1.266) 18.330 3.387 ( 0.609 -9.939 -2.628) 10.298 4.041 ( 3.919 -7.608 7.027) 11.074 4.082 ( -0.625 -13.255 -0.411) 13.276 4.308 ( -0.887 -8.222 -6.525) 10.534 4.546 ( -1.423 -1.887 2.643) 3.546 4.640 ( 1.761 -11.546 0.244) 11.682 4.700 ( -1.585 -7.511 -5.997) 9.741 5.086 ( -6.965 2.617 0.689) 7.472 5.150 ( -1.562 0.839 2.276) 2.885 5.415 ( 3.502 0.412 1.424) 3.803 5.517 ( -0.407 -2.577 -0.415) 2.641 5.571 ( 3.579 -5.522 2.438) 7.018 5.801 ( -1.847 -1.948 0.604) 2.752 5.814 ( -0.086 -1.840 0.534) 1.918 5.975 ( -0.006 -2.946 1.001) 3.111 6.115 ( 1.605 -0.722 2.530) 3.081 6.195 ( 0.564 1.401 -3.920) 4.201 6.350 ( 1.283 4.424 -0.204) 4.611 6.421 ( 0.471 3.567 0.648) 3.656 6.671 ( 0.359 2.817 0.383) 2.866 6.962 ( -1.514 9.725 -1.554) 9.964 7.114 ( -0.517 8.371 -0.009) 8.387 7.534 ( -1.038 -3.933 -0.224) 4.073 7.725 ( -0.647 2.146 -0.957) 2.437 7.906 ( 0.637 -1.102 1.387) 1.882 12.244 ( 0.090 -11.275 -1.047) 11.324 13.524 ( -0.276 1.355 -0.127) 1.389 14.919 ( -1.208 5.308 -3.647) 6.553 15.435 ( 4.269 -15.378 -1.085) 15.996 16.411 ( -1.246 19.004 0.632) 19.055 17.334 ( 0.359 13.206 1.821) 13.336 ======================= Grid point 496 (237/324) ======================= q-point: (-0.21 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 5.729 -21.867 -0.649) 22.615 2.548 ( -3.199 -24.264 0.938) 24.492 2.887 ( 4.243 -3.442 6.385) 8.404 3.026 ( -0.944 -5.028 -6.837) 8.539 3.432 ( 2.881 -9.090 2.442) 9.844 3.625 ( 1.757 -12.969 -1.559) 13.180 4.163 ( -0.768 1.385 -3.715) 4.039 4.193 ( 1.390 -4.577 3.126) 5.714 4.425 ( -0.677 -5.765 -4.248) 7.193 4.569 ( 0.791 0.283 2.072) 2.236 4.775 ( -2.382 -4.176 -2.967) 5.649 4.808 ( 0.765 -4.171 1.513) 4.503 4.998 ( -9.786 1.615 -2.196) 10.158 5.171 ( 3.436 -1.659 3.902) 5.457 5.402 ( 3.136 1.245 -0.412) 3.399 5.550 ( -1.066 -1.183 0.736) 1.754 5.670 ( 3.476 -2.607 1.288) 4.532 5.788 ( -3.767 -0.936 -0.261) 3.891 5.948 ( -0.464 -3.739 1.394) 4.018 6.000 ( -3.609 -2.348 -2.064) 4.775 6.094 ( 4.860 3.968 2.669) 6.818 6.156 ( 0.624 2.159 -1.390) 2.643 6.297 ( 1.956 0.959 -0.166) 2.185 6.416 ( 0.125 -1.900 -0.176) 1.913 6.551 ( -1.877 7.353 -0.659) 7.618 6.811 ( 0.237 7.297 -0.372) 7.310 7.006 ( -0.525 2.988 0.695) 3.113 7.612 ( 0.320 -4.511 0.305) 4.533 7.761 ( -0.739 -5.451 -0.298) 5.509 7.924 ( -0.436 -0.202 0.676) 0.830 12.389 ( 0.070 -4.428 0.365) 4.443 13.501 ( -0.125 0.898 -0.194) 0.927 14.831 ( -0.891 1.655 -2.586) 3.196 15.651 ( 2.568 -6.206 0.573) 6.740 16.101 ( -0.911 13.377 1.072) 13.450 17.110 ( 0.161 10.801 0.629) 10.821 ======================= Grid point 497 (238/324) ======================= q-point: (-0.14 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 4.473 -16.951 -0.213) 17.533 2.916 ( 1.335 -0.361 -1.018) 1.718 2.934 ( -2.570 -15.617 1.080) 15.864 3.102 ( 0.618 -1.564 0.609) 1.789 3.582 ( 1.828 -3.952 -0.128) 4.356 3.823 ( 2.430 -7.231 -0.141) 7.629 4.081 ( -0.918 2.006 -2.419) 3.273 4.280 ( 0.126 -2.479 1.793) 3.063 4.466 ( 1.070 0.563 -2.202) 2.512 4.555 ( 1.123 0.240 0.168) 1.161 4.798 ( -1.935 0.392 -0.277) 1.994 4.837 ( -4.443 0.761 1.930) 4.904 4.976 ( -1.463 -3.454 -2.724) 4.636 5.242 ( 4.493 -2.229 4.339) 6.632 5.423 ( 1.119 -2.450 -0.349) 2.716 5.560 ( -0.633 -0.143 1.491) 1.626 5.699 ( -4.232 0.256 -0.427) 4.261 5.800 ( 0.398 -0.973 -3.371) 3.531 5.862 ( -2.231 5.258 -0.281) 5.718 6.054 ( 3.960 3.178 1.677) 5.347 6.067 ( 1.674 -0.153 -0.672) 1.811 6.117 ( -1.820 -0.112 -0.012) 1.823 6.312 ( -0.024 -0.639 -0.108) 0.649 6.405 ( -3.362 2.976 -0.310) 4.501 6.517 ( 2.722 -4.504 1.112) 5.379 6.674 ( 1.286 6.825 -0.076) 6.946 6.973 ( -0.872 1.056 -0.357) 1.415 7.700 ( 0.759 -4.252 0.108) 4.321 7.867 ( -2.376 -4.406 -2.604) 5.643 7.915 ( 0.815 0.464 3.198) 3.333 12.430 ( -0.370 -0.296 1.213) 1.302 13.488 ( 0.011 0.377 -0.248) 0.452 14.839 ( -0.227 -3.009 -0.355) 3.038 15.718 ( 0.282 -0.683 -0.155) 0.755 15.909 ( -0.007 7.063 1.628) 7.248 16.945 ( 0.025 6.397 -0.001) 6.398 ======================= Grid point 498 (239/324) ======================= q-point: (-0.07 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 0.160 -3.236 -0.456) 3.272 2.949 ( 1.292 -1.548 0.054) 2.017 3.060 ( -0.907 4.553 -2.573) 5.307 3.071 ( -0.986 -0.191 2.073) 2.303 3.570 ( 0.234 4.649 -0.950) 4.751 3.908 ( 0.051 -0.119 0.604) 0.618 4.131 ( 0.101 -5.760 -0.068) 5.761 4.316 ( -0.340 -3.478 -0.641) 3.553 4.435 ( 0.785 0.257 0.040) 0.827 4.640 ( 2.868 -7.427 0.905) 8.013 4.728 ( -2.647 4.698 -0.867) 5.462 4.795 ( -1.516 3.242 0.414) 3.603 5.039 ( 2.767 -1.742 0.384) 3.293 5.311 ( 2.000 -1.791 3.974) 4.796 5.474 ( -0.362 -2.092 -0.594) 2.205 5.565 ( 0.382 -0.188 3.294) 3.321 5.623 ( -5.341 3.611 -7.716) 10.055 5.705 ( -1.593 5.434 -0.004) 5.663 5.878 ( 2.651 -2.332 0.258) 3.540 6.022 ( 2.998 2.114 1.183) 3.854 6.060 ( 0.450 -0.501 -0.823) 1.064 6.125 ( -1.627 -0.209 1.267) 2.072 6.302 ( -2.907 0.215 -1.405) 3.236 6.352 ( -2.159 1.476 -2.213) 3.426 6.581 ( 2.956 2.291 3.611) 5.199 6.650 ( 2.730 -5.650 0.075) 6.276 6.930 ( -1.026 3.426 -0.557) 3.620 7.764 ( -0.605 -1.324 -0.324) 1.491 7.838 ( -1.572 1.768 -2.528) 3.463 7.960 ( 1.250 -0.536 3.102) 3.387 12.423 ( -0.912 0.714 1.488) 1.885 13.486 ( 0.145 -0.148 -0.279) 0.348 14.925 ( -0.065 -5.753 0.387) 5.766 15.696 ( -1.239 2.230 -0.623) 2.626 15.840 ( 0.419 1.158 1.979) 2.330 16.883 ( 0.018 0.020 -0.151) 0.154 ======================= Grid point 506 (240/324) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -6.030 -0.000 2.425) 6.499 1.120 ( -2.049 -0.000 -7.289) 7.571 1.352 ( -8.985 -0.000 -31.706) 32.955 1.844 ( 4.997 0.000 16.170) 16.925 2.373 ( 3.972 0.000 15.683) 16.178 2.655 ( 1.277 0.000 0.501) 1.371 3.197 ( -4.885 -0.000 -14.646) 15.439 3.281 ( -4.652 -0.000 -15.356) 16.046 3.700 ( 0.236 0.000 -7.052) 7.056 4.036 ( 1.156 0.000 3.610) 3.790 4.080 ( 0.012 0.000 -0.024) 0.027 4.528 ( 3.730 0.000 18.863) 19.228 4.599 ( 3.381 0.000 3.970) 5.214 5.112 ( -1.480 -0.000 8.432) 8.561 5.409 ( -5.402 -0.000 -3.184) 6.271 5.425 ( 0.025 0.000 0.127) 0.129 5.633 ( 1.934 0.000 0.185) 1.943 5.635 ( 0.024 0.000 0.122) 0.124 5.734 ( -3.705 -0.000 6.109) 7.145 6.015 ( 9.088 0.000 7.098) 11.532 6.095 ( 3.466 0.000 7.742) 8.482 6.362 ( -0.173 -0.000 -10.436) 10.438 6.652 ( -2.829 -0.000 -10.561) 10.933 6.705 ( -3.660 -0.000 -0.723) 3.731 6.922 ( -0.013 -0.000 -0.025) 0.028 7.132 ( -0.010 -0.000 -0.048) 0.049 7.548 ( 3.331 0.000 6.849) 7.616 7.746 ( 1.974 0.000 -2.354) 3.072 8.018 ( -4.121 -0.000 -13.409) 14.028 8.580 ( -0.320 -0.000 -3.366) 3.381 11.131 ( 0.095 0.000 0.241) 0.259 12.147 ( -0.065 -0.000 -0.196) 0.206 13.636 ( -0.910 -0.000 -1.407) 1.676 15.737 ( -2.195 -0.000 -29.971) 30.052 17.846 ( 3.221 0.000 8.193) 8.803 18.102 ( -0.589 -0.000 4.863) 4.899 ======================= Grid point 507 (241/324) ======================= q-point: (-0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -6.384 3.669 2.490) 7.773 1.185 ( -12.751 -5.197 -18.118) 22.756 1.475 ( -2.950 -28.461 -11.157) 30.712 1.962 ( 7.890 -5.418 14.677) 17.522 2.644 ( 3.258 -20.102 14.920) 25.245 2.854 ( 3.002 -17.520 1.214) 17.816 3.199 ( -2.873 1.810 -13.649) 14.065 3.226 ( -4.770 -9.062 -15.638) 18.693 3.716 ( 0.248 -3.613 -6.140) 7.129 4.114 ( 0.940 -5.299 4.026) 6.721 4.153 ( 0.529 -7.711 -0.083) 7.730 4.585 ( 3.306 2.552 7.494) 8.579 4.681 ( 1.975 -8.939 9.233) 13.003 5.135 ( -1.503 -0.662 8.027) 8.194 5.368 ( -4.861 0.609 -3.270) 5.890 5.429 ( 0.337 0.098 0.309) 0.467 5.525 ( -0.250 5.568 -0.953) 5.654 5.711 ( 1.640 -2.050 3.067) 4.037 5.775 ( -2.644 -3.879 4.164) 6.275 6.045 ( 5.223 1.976 6.665) 8.695 6.099 ( 5.007 3.330 4.699) 7.631 6.299 ( -0.883 2.960 -11.484) 11.892 6.573 ( -1.708 3.770 -7.333) 8.420 6.679 ( -2.201 1.060 0.300) 2.461 6.868 ( 0.248 5.430 -0.006) 5.435 7.176 ( -0.069 -4.063 -0.144) 4.066 7.571 ( -1.009 1.255 4.394) 4.679 7.690 ( 3.917 6.496 -2.222) 7.904 7.913 ( -4.803 4.013 -10.178) 11.949 8.391 ( -0.050 14.855 -1.909) 14.977 11.269 ( -0.062 -13.739 -0.415) 13.746 12.789 ( 4.595 -57.938 2.863) 58.191 13.617 ( -0.837 1.128 -0.948) 1.694 15.588 ( -2.133 6.394 -25.650) 26.521 17.697 ( 1.064 17.901 5.525) 18.765 18.039 ( 0.069 7.590 4.149) 8.650 ======================= Grid point 508 (242/324) ======================= q-point: (-0.36 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -3.094 -4.164 0.930) 5.271 1.284 ( -10.840 -16.077 -10.681) 22.137 2.068 ( -1.107 -33.174 -2.974) 33.326 2.196 ( 7.506 -12.262 11.072) 18.146 3.070 ( 1.456 -9.972 6.630) 12.063 3.080 ( 0.139 -2.865 -5.182) 5.923 3.291 ( 2.238 -20.898 -1.548) 21.074 3.467 ( -2.266 -24.413 -10.417) 26.638 3.810 ( -0.826 -8.261 -6.373) 10.466 4.244 ( 0.656 -6.996 3.994) 8.083 4.331 ( 2.034 -9.142 -0.204) 9.368 4.570 ( 1.920 1.218 4.242) 4.813 4.944 ( 0.304 -14.416 5.399) 15.396 5.155 ( -2.614 -0.045 6.073) 6.612 5.331 ( -3.491 0.347 -2.197) 4.139 5.408 ( 1.037 1.687 2.229) 2.981 5.469 ( 0.780 -0.390 -2.811) 2.943 5.758 ( -0.112 -1.169 4.532) 4.682 5.840 ( -0.635 -2.476 0.531) 2.610 6.014 ( -1.575 4.093 3.707) 5.742 6.075 ( 6.836 1.769 2.800) 7.596 6.213 ( 0.076 2.188 -8.655) 8.927 6.481 ( -0.427 3.661 -3.572) 5.133 6.656 ( 0.224 1.153 2.310) 2.592 6.738 ( -0.100 7.602 -0.814) 7.646 7.248 ( -0.078 -2.171 -0.341) 2.199 7.473 ( -6.309 6.693 -2.762) 9.604 7.538 ( 3.582 9.972 -1.405) 10.688 7.837 ( -3.495 0.466 -0.859) 3.629 8.117 ( 2.290 13.399 -0.914) 13.623 11.597 ( -0.167 -19.871 -1.300) 19.914 13.584 ( -0.747 1.537 0.044) 1.709 13.997 ( 11.014 -57.062 5.888) 58.413 15.360 ( -2.059 9.587 -19.854) 22.143 17.279 ( -1.737 25.226 2.215) 25.383 17.855 ( 0.470 12.668 3.189) 13.071 ======================= Grid point 509 (243/324) ======================= q-point: (-0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 4.383 -17.013 0.247) 17.570 1.606 ( -7.088 -23.313 -2.584) 24.504 2.477 ( 6.355 -13.747 9.254) 17.748 2.693 ( 0.289 -30.023 -0.742) 30.034 3.009 ( 1.252 2.015 -10.292) 10.562 3.255 ( 0.909 -5.991 1.428) 6.225 3.727 ( 0.161 -22.439 0.214) 22.440 3.903 ( 4.189 -13.099 7.126) 15.489 4.007 ( -4.734 -19.336 -12.863) 23.701 4.412 ( 0.480 -10.063 2.512) 10.383 4.488 ( 1.604 -6.389 0.193) 6.590 4.590 ( 0.925 -2.145 0.425) 2.374 5.103 ( -6.368 0.502 2.348) 6.805 5.155 ( -1.474 -0.675 3.681) 4.022 5.372 ( 2.034 -6.291 3.286) 7.383 5.446 ( 0.396 -4.198 -4.353) 6.061 5.499 ( 2.839 -2.579 1.900) 4.281 5.767 ( -2.284 0.072 0.719) 2.396 5.851 ( 0.456 1.739 0.136) 1.803 5.950 ( -1.065 0.934 1.353) 1.959 6.107 ( 3.992 -1.135 3.193) 5.236 6.183 ( 1.058 -0.451 -5.669) 5.784 6.413 ( 0.097 2.821 -1.330) 3.120 6.563 ( 1.194 8.948 1.095) 9.093 6.680 ( 0.370 -0.833 0.714) 1.158 7.147 ( -3.282 10.686 -2.488) 11.452 7.298 ( -1.468 9.884 -1.775) 10.149 7.460 ( 0.412 -2.240 1.104) 2.531 7.796 ( -4.938 3.594 -0.142) 6.110 7.938 ( 4.250 5.460 0.115) 6.920 11.960 ( -0.049 -18.036 -1.360) 18.088 13.551 ( -0.413 1.614 0.178) 1.676 14.895 ( 8.117 -24.554 10.692) 27.984 15.158 ( 0.556 -0.191 -18.077) 18.086 16.804 ( -2.807 23.399 0.721) 23.578 17.604 ( 0.559 14.374 2.013) 14.525 ======================= Grid point 510 (244/324) ======================= q-point: (-0.21 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 8.215 -21.693 0.391) 23.200 2.051 ( -4.572 -26.127 1.260) 26.554 2.778 ( 4.447 -12.782 6.997) 15.235 2.958 ( 2.194 1.217 -7.998) 8.382 3.196 ( 2.080 -20.931 0.685) 21.046 3.389 ( 1.895 -9.035 -0.891) 9.274 4.076 ( -0.582 -12.321 -0.295) 12.339 4.089 ( 1.206 -7.430 0.581) 7.550 4.253 ( -2.440 -9.486 -4.853) 10.931 4.567 ( 1.308 -2.786 4.700) 5.619 4.654 ( -1.273 -6.554 -4.377) 7.983 4.662 ( 1.033 -10.099 0.163) 10.153 5.017 ( -8.084 4.241 1.720) 9.289 5.165 ( -0.065 -0.685 3.570) 3.636 5.454 ( 3.917 0.950 -0.667) 4.085 5.505 ( -0.839 -3.145 0.211) 3.262 5.626 ( 4.527 -5.837 2.378) 7.760 5.765 ( -4.649 -1.588 -0.815) 4.980 5.823 ( 1.163 -1.735 -0.287) 2.108 5.969 ( -1.525 -1.445 -0.081) 2.103 6.151 ( 2.500 -0.531 3.085) 4.006 6.184 ( 1.683 0.311 -4.222) 4.556 6.359 ( 1.139 3.549 -0.442) 3.754 6.428 ( 0.527 4.322 0.067) 4.355 6.664 ( -1.295 4.448 -1.217) 4.790 6.938 ( -2.396 7.586 -0.408) 7.966 7.114 ( 0.027 8.192 0.512) 8.208 7.536 ( 0.471 -4.084 1.535) 4.388 7.705 ( -2.261 1.359 -1.398) 2.986 7.918 ( 0.721 -0.116 0.625) 0.961 12.241 ( 0.154 -11.606 -0.650) 11.625 13.521 ( -0.245 1.346 0.115) 1.373 14.899 ( -0.463 6.320 -0.830) 6.391 15.474 ( 6.173 -15.428 -2.258) 16.770 16.398 ( -2.318 18.446 0.634) 18.602 17.345 ( 0.390 13.516 0.876) 13.550 ======================= Grid point 511 (245/324) ======================= q-point: (-0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 8.054 -20.863 0.602) 22.372 2.525 ( -3.316 -24.732 1.867) 25.023 2.931 ( 1.948 0.859 -5.154) 5.576 3.013 ( 2.330 -8.244 4.026) 9.466 3.466 ( 3.076 -8.735 -0.499) 9.274 3.641 ( 2.809 -13.441 -0.344) 13.736 4.132 ( -1.711 2.299 -2.103) 3.554 4.209 ( 0.451 -5.188 -1.113) 5.325 4.411 ( 0.550 -7.015 -0.535) 7.057 4.595 ( 1.864 1.532 1.965) 3.111 4.734 ( -2.450 -4.368 -1.544) 5.241 4.830 ( 0.505 -6.318 0.627) 6.369 4.902 ( -8.464 3.569 0.832) 9.223 5.217 ( 1.979 -3.326 3.059) 4.933 5.435 ( 3.954 1.896 0.158) 4.388 5.544 ( -0.935 -1.390 0.994) 1.948 5.675 ( -5.049 -0.282 0.985) 5.152 5.776 ( 3.860 -0.920 -1.672) 4.306 5.936 ( -2.520 2.489 -0.857) 3.644 5.969 ( -1.303 -7.993 -0.807) 8.138 6.147 ( 3.417 3.112 2.496) 5.253 6.154 ( 1.267 2.457 -2.105) 3.475 6.309 ( 1.174 1.109 -0.972) 1.885 6.415 ( -0.167 -1.130 -0.264) 1.173 6.522 ( -2.865 5.698 -1.067) 6.467 6.813 ( 0.471 6.667 -0.209) 6.687 7.007 ( -0.257 3.542 1.011) 3.692 7.620 ( 0.874 -4.473 0.597) 4.597 7.745 ( -1.616 -5.694 -0.938) 5.993 7.925 ( -0.444 -0.149 0.957) 1.066 12.392 ( 0.092 -4.603 0.196) 4.608 13.499 ( -0.125 0.888 -0.018) 0.897 14.823 ( 0.100 1.484 0.985) 1.784 15.673 ( 2.904 -5.087 -1.470) 6.039 16.097 ( -1.260 12.686 1.052) 12.791 17.113 ( 0.144 11.030 0.151) 11.032 ======================= Grid point 512 (246/324) ======================= q-point: (-0.07 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 5.324 -14.903 0.315) 15.829 2.910 ( -3.006 -13.990 0.021) 14.309 2.921 ( 1.142 -1.905 -1.768) 2.839 3.116 ( 1.078 -0.952 1.399) 2.006 3.586 ( 0.886 -2.753 -2.971) 4.147 3.841 ( 2.520 -7.164 -1.263) 7.699 4.081 ( 0.615 1.301 2.969) 3.300 4.286 ( -0.130 -2.233 0.497) 2.292 4.472 ( 1.922 0.399 -0.800) 2.120 4.569 ( 1.532 0.289 -0.059) 1.560 4.775 ( -2.832 -2.544 -0.596) 3.853 4.803 ( -4.451 4.162 1.987) 6.409 4.964 ( 0.687 -6.840 -0.623) 6.902 5.302 ( 3.262 -2.765 3.325) 5.417 5.438 ( 1.743 -0.675 0.778) 2.025 5.561 ( -1.136 -0.712 1.537) 2.039 5.630 ( -7.085 1.664 -2.275) 7.625 5.781 ( -0.719 3.287 -4.565) 5.671 5.870 ( 2.365 0.488 2.247) 3.298 6.063 ( -0.115 -1.698 -1.207) 2.087 6.093 ( 0.827 3.665 -0.209) 3.763 6.114 ( 1.559 1.236 1.300) 2.377 6.294 ( -1.961 0.703 -1.948) 2.852 6.372 ( -2.879 2.520 -0.882) 3.926 6.549 ( 2.971 -5.643 0.805) 6.428 6.692 ( 1.848 6.176 0.937) 6.515 6.964 ( -1.073 1.457 0.116) 1.813 7.710 ( 1.103 -4.087 0.032) 4.234 7.825 ( -2.459 -2.248 -3.242) 4.648 7.941 ( 0.232 -1.864 3.424) 3.905 12.432 ( -0.391 -0.226 0.902) 1.009 13.487 ( 0.011 0.347 -0.150) 0.378 14.844 ( 0.365 -2.868 1.917) 3.469 15.716 ( 0.354 0.258 -1.438) 1.504 15.917 ( -0.275 6.449 1.478) 6.622 16.945 ( 0.067 6.463 -0.095) 6.464 ======================= Grid point 521 (247/324) ======================= q-point: (-0.43 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -12.053 -0.000 -1.782) 12.184 1.042 ( -7.910 -0.000 -4.501) 9.101 1.121 ( -11.655 -0.000 -16.952) 20.572 1.987 ( 9.347 0.000 11.247) 14.624 2.477 ( 2.460 0.000 11.962) 12.212 2.691 ( 4.862 0.000 1.044) 4.973 3.080 ( -4.333 -0.000 -12.071) 12.825 3.184 ( -0.715 -0.000 -10.792) 10.816 3.668 ( 0.299 0.000 -5.788) 5.796 4.058 ( 0.357 0.000 2.019) 2.050 4.080 ( 0.011 0.000 -0.028) 0.030 4.632 ( 1.277 0.000 5.182) 5.337 4.657 ( 4.157 0.000 10.018) 10.846 5.143 ( -1.581 -0.000 7.633) 7.795 5.345 ( -4.434 -0.000 -1.991) 4.860 5.427 ( 0.277 0.000 0.087) 0.290 5.634 ( -0.317 -0.000 0.083) 0.328 5.642 ( -0.075 -0.000 -0.273) 0.283 5.755 ( -0.533 -0.000 7.648) 7.666 6.098 ( 1.053 0.000 6.205) 6.293 6.175 ( 6.672 0.000 1.047) 6.753 6.298 ( 0.932 0.000 -11.866) 11.903 6.584 ( -1.409 -0.000 -7.021) 7.161 6.687 ( -0.544 -0.000 2.152) 2.220 6.925 ( 0.531 0.000 -0.014) 0.532 7.129 ( -0.523 -0.000 -0.032) 0.524 7.594 ( -1.560 -0.000 7.095) 7.264 7.765 ( 3.554 0.000 -3.020) 4.664 7.900 ( -4.266 -0.000 -12.571) 13.275 8.557 ( -1.090 -0.000 -2.499) 2.726 11.133 ( -0.026 -0.000 0.145) 0.147 12.145 ( -0.061 -0.000 -0.123) 0.138 13.621 ( -0.906 -0.000 -0.729) 1.163 15.574 ( -2.307 -0.000 -22.981) 23.097 17.904 ( 1.260 0.000 5.778) 5.913 18.124 ( 0.416 0.000 3.488) 3.513 ======================= Grid point 522 (248/324) ======================= q-point: (-0.36 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -10.401 0.920 3.647) 11.060 0.978 ( -14.984 -5.264 -8.737) 18.126 1.401 ( -4.506 -31.616 -4.789) 32.293 2.106 ( 9.567 -5.262 7.726) 13.376 2.735 ( 1.762 -20.555 10.358) 23.085 2.904 ( 4.674 -18.195 1.528) 18.848 3.099 ( -3.877 -5.683 -11.493) 13.395 3.143 ( 1.865 0.376 -7.623) 7.857 3.689 ( 0.304 -3.629 -4.470) 5.766 4.132 ( 0.321 -5.418 1.302) 5.582 4.164 ( 1.334 -8.807 0.225) 8.911 4.638 ( 2.315 2.636 2.231) 4.157 4.741 ( 1.498 -7.344 7.047) 10.288 5.156 ( -2.453 -0.218 6.081) 6.561 5.319 ( -2.924 0.563 -0.047) 2.978 5.441 ( 1.250 -1.022 0.607) 1.725 5.513 ( -1.346 6.510 -0.883) 6.706 5.732 ( 0.670 -3.962 -0.193) 4.023 5.784 ( -1.491 -1.449 6.161) 6.502 6.080 ( -3.439 2.874 1.911) 4.872 6.149 ( 3.323 3.002 -5.568) 7.145 6.262 ( 5.591 2.821 -3.874) 7.364 6.532 ( -0.803 2.878 -3.988) 4.983 6.682 ( 1.318 1.178 3.145) 3.608 6.872 ( 0.634 5.536 -0.014) 5.573 7.172 ( -0.652 -4.150 -0.200) 4.205 7.561 ( -4.662 4.572 2.247) 6.905 7.696 ( -1.016 5.822 -5.364) 7.981 7.843 ( -0.155 1.970 -2.985) 3.580 8.379 ( -0.398 13.546 -1.376) 13.621 11.266 ( -0.116 -13.440 -0.267) 13.443 12.864 ( 9.640 -63.198 0.668) 63.932 13.606 ( -0.691 0.963 -0.151) 1.195 15.450 ( -2.548 5.822 -17.518) 18.635 17.720 ( -1.236 19.579 3.284) 19.891 18.061 ( 0.658 7.609 2.712) 8.105 ======================= Grid point 523 (249/324) ======================= q-point: (-0.29 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -1.692 -7.813 3.076) 8.566 1.159 ( -9.644 -19.016 0.447) 21.326 2.039 ( -2.307 -35.791 -1.348) 35.891 2.311 ( 7.699 -10.604 3.532) 13.572 3.052 ( 3.264 2.811 -3.606) 5.618 3.129 ( -0.245 -10.716 5.938) 12.254 3.301 ( 1.406 -20.026 -5.019) 20.693 3.412 ( 0.428 -30.219 -2.353) 30.314 3.784 ( 0.480 -7.159 -2.535) 7.610 4.264 ( 0.510 -7.409 2.067) 7.709 4.346 ( 2.377 -8.667 -2.454) 9.316 4.605 ( 1.750 1.717 1.934) 3.123 4.968 ( -0.231 -12.539 3.230) 12.950 5.155 ( -3.374 0.305 4.424) 5.572 5.305 ( -1.958 -0.794 1.619) 2.662 5.411 ( -0.385 2.047 -2.412) 3.187 5.478 ( 2.600 -1.678 0.424) 3.124 5.771 ( -1.260 0.453 2.305) 2.666 5.831 ( -1.344 -3.043 -0.211) 3.334 5.990 ( -4.725 3.301 -1.108) 5.870 6.121 ( 3.229 0.359 -2.863) 4.330 6.220 ( 6.296 3.706 -0.382) 7.316 6.464 ( -0.251 3.088 -1.633) 3.502 6.682 ( 2.037 0.439 2.889) 3.562 6.738 ( 0.583 8.519 -0.113) 8.540 7.239 ( -1.185 -1.602 -0.960) 2.212 7.394 ( -7.268 7.951 -2.613) 11.085 7.557 ( 1.598 7.661 0.017) 7.826 7.804 ( -3.608 1.297 0.883) 3.934 8.136 ( 2.910 11.889 -1.169) 12.296 11.590 ( -0.104 -19.692 -0.646) 19.703 13.580 ( -0.464 1.499 0.555) 1.665 14.147 ( 17.930 -57.547 -0.129) 60.276 15.256 ( -2.210 8.992 -10.845) 14.260 17.260 ( -4.362 25.944 1.217) 26.336 17.873 ( 0.702 12.783 1.745) 12.921 ======================= Grid point 524 (250/324) ======================= q-point: (-0.21 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 7.366 -18.783 2.412) 20.319 1.552 ( -5.684 -24.597 4.503) 25.644 2.547 ( 3.975 -14.243 -1.852) 14.903 2.699 ( 0.671 -30.439 0.465) 30.450 3.010 ( 5.441 2.827 0.376) 6.143 3.265 ( 0.785 -6.116 -0.394) 6.179 3.730 ( 0.312 -22.153 -0.047) 22.155 3.896 ( -3.599 -15.441 -11.466) 19.566 3.982 ( 2.905 -16.428 8.249) 18.611 4.425 ( 0.395 -9.473 1.591) 9.614 4.489 ( 0.621 -7.380 -4.411) 8.621 4.609 ( 1.667 -0.645 1.428) 2.288 5.060 ( -6.168 1.977 3.655) 7.437 5.159 ( -2.097 -0.691 3.289) 3.961 5.415 ( 1.004 -7.170 0.195) 7.242 5.427 ( 2.771 -4.659 -0.322) 5.431 5.535 ( 3.570 -3.609 -0.136) 5.079 5.730 ( -4.895 1.594 -1.237) 5.294 5.853 ( 0.435 0.710 -1.214) 1.472 5.942 ( -1.940 -0.067 1.172) 2.268 6.142 ( 2.643 -1.738 -3.608) 4.798 6.192 ( 4.256 1.666 1.471) 4.801 6.408 ( -0.030 2.398 -0.465) 2.443 6.570 ( 0.404 8.771 -1.067) 8.845 6.697 ( 1.653 0.283 1.500) 2.250 7.098 ( -5.107 10.891 -0.873) 12.061 7.269 ( -1.876 6.349 -1.904) 6.889 7.489 ( 2.311 -0.406 3.684) 4.368 7.745 ( -5.698 3.089 -0.675) 6.517 7.973 ( 3.604 6.086 -0.632) 7.101 11.955 ( 0.080 -18.096 -0.521) 18.103 13.549 ( -0.284 1.625 0.511) 1.727 15.035 ( 6.098 -4.527 12.163) 14.339 15.082 ( 6.711 -18.565 -17.755) 26.550 16.774 ( -4.613 22.853 0.559) 23.321 17.617 ( 0.551 14.572 0.665) 14.597 ======================= Grid point 525 (251/324) ======================= q-point: (-0.14 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 9.587 -21.447 2.080) 23.584 2.029 ( -3.580 -26.321 4.665) 26.969 2.786 ( 0.187 -11.208 -9.885) 14.945 3.007 ( 7.319 0.892 7.523) 10.533 3.218 ( 2.180 -21.438 0.053) 21.549 3.410 ( 2.856 -9.610 0.473) 10.037 4.044 ( -2.336 -8.759 -6.921) 11.405 4.090 ( 0.674 -11.409 -0.364) 11.434 4.231 ( -1.159 -8.913 1.428) 9.101 4.596 ( -1.205 -7.929 -3.663) 8.817 4.627 ( 2.004 -0.472 3.452) 4.020 4.674 ( 0.281 -10.188 0.386) 10.199 4.968 ( -6.113 4.799 4.869) 9.171 5.177 ( -1.043 -1.671 2.509) 3.190 5.462 ( 0.352 -1.130 -2.663) 2.915 5.527 ( 3.479 -0.976 2.672) 4.494 5.648 ( -3.175 -1.425 0.247) 3.489 5.739 ( 1.459 -8.255 -0.174) 8.385 5.829 ( 1.759 0.207 -2.362) 2.953 5.949 ( -2.428 -0.335 -0.501) 2.502 6.170 ( 2.010 -0.830 -4.764) 5.237 6.198 ( 2.285 0.676 3.334) 4.098 6.364 ( 0.602 2.815 -0.806) 2.990 6.432 ( 0.593 4.566 -0.462) 4.628 6.639 ( -2.090 6.787 -1.603) 7.280 6.916 ( -2.406 5.576 0.148) 6.074 7.120 ( 0.435 7.606 1.081) 7.695 7.554 ( 0.909 -3.367 2.366) 4.215 7.673 ( -2.868 0.070 -1.295) 3.147 7.926 ( 0.566 0.805 -0.023) 0.984 12.240 ( 0.252 -11.730 -0.213) 11.735 13.521 ( -0.204 1.385 0.326) 1.437 14.903 ( 0.359 6.141 2.452) 6.622 15.521 ( 7.447 -13.663 -3.764) 16.009 16.375 ( -3.247 17.534 0.604) 17.842 17.350 ( 0.283 13.692 -0.119) 13.695 ======================= Grid point 526 (252/324) ======================= q-point: (-0.07 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 8.152 -19.590 1.841) 21.298 2.508 ( -2.922 -24.218 2.529) 24.525 2.890 ( -0.120 -3.582 -9.888) 10.518 3.087 ( 4.865 -2.657 8.153) 9.859 3.476 ( 1.766 -8.165 -4.512) 9.495 3.671 ( 3.487 -12.443 0.755) 12.944 4.123 ( 0.283 -1.237 2.474) 2.780 4.196 ( -0.002 -4.481 -3.486) 5.677 4.421 ( 0.989 -8.139 0.741) 8.233 4.604 ( -0.372 1.266 -2.273) 2.628 4.728 ( -0.966 -0.629 3.411) 3.601 4.786 ( -4.050 -6.880 -3.678) 8.790 4.893 ( -1.110 2.401 6.897) 7.387 5.239 ( 0.240 -4.425 1.458) 4.665 5.462 ( 0.608 0.617 0.416) 0.961 5.550 ( 0.819 -0.055 1.751) 1.934 5.617 ( -5.911 0.757 -0.385) 5.971 5.813 ( 5.342 0.633 -3.308) 6.315 5.908 ( -2.625 1.993 -0.174) 3.300 5.955 ( -0.787 -8.145 -1.150) 8.263 6.155 ( 1.695 2.374 -2.762) 4.017 6.182 ( 1.530 2.799 2.214) 3.882 6.307 ( 0.134 2.193 -1.941) 2.932 6.411 ( -0.330 0.821 -0.355) 0.954 6.497 ( -1.553 2.393 -0.015) 2.853 6.815 ( 0.339 5.496 -0.468) 5.527 7.009 ( -0.526 4.407 0.734) 4.499 7.627 ( 0.180 -4.438 -0.633) 4.487 7.731 ( -0.550 -5.440 0.555) 5.496 7.924 ( -0.923 -0.430 0.752) 1.266 12.393 ( 0.085 -4.617 0.055) 4.618 13.499 ( -0.108 0.902 0.135) 0.919 14.843 ( 1.017 1.614 4.565) 4.948 15.688 ( 3.130 -3.807 -3.379) 5.975 16.089 ( -1.832 11.834 0.832) 12.004 17.114 ( 0.099 11.077 -0.308) 11.081 ======================= Grid point 536 (253/324) ======================= q-point: (-0.36 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -13.554 -0.000 3.948) 14.117 0.930 ( -12.900 -0.000 -1.224) 12.958 0.956 ( -14.053 -0.000 -2.700) 14.310 2.118 ( 9.935 0.000 2.862) 10.339 2.545 ( 1.555 0.000 5.436) 5.654 2.732 ( 4.230 0.000 -3.015) 5.194 3.010 ( -1.079 -0.000 -2.143) 2.399 3.161 ( 3.898 0.000 -2.545) 4.655 3.647 ( 0.660 0.000 -3.419) 3.482 4.064 ( -0.389 -0.000 0.390) 0.551 4.080 ( 0.014 0.000 -0.023) 0.027 4.647 ( 0.070 0.000 -0.248) 0.257 4.737 ( 3.308 0.000 4.715) 5.759 5.158 ( -2.551 -0.000 4.638) 5.293 5.324 ( -0.775 -0.000 4.254) 4.324 5.430 ( 0.493 0.000 0.031) 0.494 5.630 ( -1.261 -0.000 -0.649) 1.418 5.630 ( -1.061 -0.000 -0.438) 1.148 5.793 ( 0.351 0.000 6.210) 6.220 6.082 ( -6.952 -0.000 -6.063) 9.225 6.176 ( 2.938 0.000 -6.895) 7.495 6.317 ( 7.307 0.000 -0.622) 7.333 6.549 ( -0.430 -0.000 -2.382) 2.420 6.722 ( 3.728 0.000 4.911) 6.166 6.932 ( 1.038 0.000 0.002) 1.038 7.122 ( -1.001 -0.000 -0.011) 1.001 7.594 ( -5.567 -0.000 1.185) 5.692 7.710 ( -4.324 -0.000 -7.593) 8.738 7.880 ( 4.676 0.000 0.491) 4.701 8.534 ( -1.716 -0.000 -1.297) 2.151 11.132 ( -0.139 -0.000 0.014) 0.140 12.144 ( -0.047 -0.000 -0.024) 0.053 13.613 ( -0.618 -0.000 0.382) 0.727 15.452 ( -3.030 -0.000 -12.620) 12.978 17.931 ( 0.315 0.000 1.955) 1.981 18.146 ( 0.875 0.000 2.129) 2.301 ======================= Grid point 537 (254/324) ======================= q-point: (-0.29 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -11.569 -1.020 6.575) 13.346 0.843 ( -12.478 -8.686 8.064) 17.210 1.335 ( -7.074 -34.194 -0.199) 34.918 2.205 ( 8.183 -4.781 -2.334) 9.760 2.783 ( 0.103 -21.759 0.853) 21.776 2.901 ( 0.042 -15.417 -7.877) 17.313 3.081 ( 3.432 -5.116 6.399) 8.883 3.168 ( 6.468 -0.264 2.444) 6.920 3.677 ( 0.966 -3.657 -1.881) 4.224 4.140 ( 0.367 -5.869 0.690) 5.921 4.173 ( 1.505 -9.597 -1.849) 9.889 4.652 ( 1.224 1.112 -2.598) 3.079 4.777 ( 0.913 -5.597 1.586) 5.889 5.152 ( -3.558 0.187 2.874) 4.578 5.320 ( -0.579 1.670 6.169) 6.417 5.448 ( -0.229 -0.425 -1.454) 1.532 5.497 ( -0.523 5.416 -0.335) 5.452 5.726 ( -0.956 -4.915 -1.196) 5.148 5.805 ( -0.851 0.520 4.584) 4.692 5.998 ( -7.016 1.905 -8.777) 11.397 6.154 ( 2.907 1.975 -2.101) 4.095 6.317 ( 6.009 2.754 -1.386) 6.754 6.520 ( 0.728 2.754 0.953) 3.004 6.732 ( 4.229 1.977 4.644) 6.585 6.879 ( 0.773 5.768 -0.191) 5.823 7.162 ( -1.221 -4.029 -0.374) 4.226 7.496 ( -8.474 5.520 -5.085) 11.320 7.651 ( -2.628 3.586 1.046) 4.568 7.862 ( 2.290 3.953 2.270) 5.101 8.370 ( -0.301 12.038 -0.945) 12.079 11.264 ( -0.135 -13.335 -0.098) 13.336 12.972 ( 16.114 -69.858 -4.681) 71.845 13.603 ( -0.398 0.922 0.942) 1.377 15.361 ( -2.708 5.272 -5.256) 7.922 17.710 ( -2.963 21.401 0.233) 21.606 18.080 ( 0.846 7.715 1.405) 7.887 ======================= Grid point 538 (255/324) ======================= q-point: (-0.21 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 0.646 -12.857 4.992) 13.807 1.122 ( -6.155 -19.726 12.763) 24.288 2.012 ( -3.479 -37.495 1.276) 37.678 2.361 ( 5.152 -9.848 -7.190) 13.237 3.093 ( 2.873 -0.803 0.698) 3.064 3.125 ( 0.445 -7.836 -2.423) 8.214 3.281 ( 1.387 -24.281 -0.357) 24.324 3.453 ( 4.277 -22.253 5.393) 23.294 3.792 ( 1.907 -8.498 1.564) 8.848 4.278 ( 0.530 -7.501 1.490) 7.666 4.341 ( 1.332 -7.612 -5.934) 9.743 4.616 ( 1.041 1.068 -3.224) 3.553 4.976 ( -0.742 -10.973 1.494) 11.099 5.142 ( -3.548 -0.365 2.179) 4.180 5.302 ( -2.578 -1.148 2.670) 3.885 5.394 ( 0.431 0.533 -0.649) 0.944 5.510 ( 3.727 -1.556 -0.046) 4.039 5.758 ( -2.724 2.620 -0.409) 3.802 5.810 ( -2.200 -3.383 -2.281) 4.636 5.943 ( -3.252 0.233 0.018) 3.261 6.131 ( 3.256 0.856 -3.536) 4.883 6.277 ( 4.888 3.462 -0.248) 5.995 6.466 ( 1.015 3.619 2.068) 4.290 6.713 ( 1.960 4.424 0.443) 4.859 6.751 ( 1.502 5.725 1.813) 6.191 7.217 ( -2.297 -0.227 -1.346) 2.672 7.321 ( -6.325 6.665 -0.570) 9.206 7.570 ( 0.045 4.201 1.906) 4.613 7.779 ( -3.582 4.560 1.789) 6.068 8.156 ( 3.121 10.694 -1.690) 11.267 11.588 ( 0.015 -19.671 0.037) 19.671 13.581 ( -0.260 1.513 0.868) 1.764 14.306 ( 22.829 -55.955 -12.661) 61.744 15.219 ( -0.590 8.220 4.022) 9.170 17.214 ( -6.558 26.147 0.308) 26.959 17.885 ( 0.629 12.968 0.379) 12.989 ======================= Grid point 539 (256/324) ======================= q-point: (-0.14 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 7.976 -20.222 4.139) 22.129 1.553 ( -3.174 -24.107 10.943) 26.664 2.533 ( 1.319 -13.167 -11.156) 17.308 2.703 ( -0.317 -31.179 0.389) 31.184 3.104 ( 8.012 2.124 9.474) 12.588 3.266 ( 0.871 -7.863 -1.907) 8.138 3.729 ( 0.056 -21.602 -0.772) 21.616 3.827 ( -0.056 -14.367 -6.932) 15.952 4.050 ( 2.157 -13.615 8.369) 16.127 4.432 ( 0.171 -8.222 -2.989) 8.750 4.459 ( -1.150 -8.982 -2.884) 9.504 4.625 ( 1.426 -1.752 -1.756) 2.861 5.033 ( -5.272 2.561 5.764) 8.221 5.149 ( -3.007 -1.230 1.594) 3.619 5.393 ( -0.559 -5.050 -4.010) 6.473 5.493 ( 5.204 -8.518 5.506) 11.400 5.558 ( 2.721 -3.085 -2.369) 4.747 5.677 ( -4.240 2.580 -1.946) 5.331 5.839 ( -0.740 -0.887 -4.035) 4.197 5.935 ( -1.404 0.257 2.650) 3.010 6.136 ( 2.610 -1.280 -6.437) 7.063 6.246 ( 3.690 2.077 3.007) 5.194 6.411 ( 0.353 2.923 1.318) 3.226 6.565 ( 0.448 8.299 -1.473) 8.440 6.717 ( 1.353 2.438 0.126) 2.791 7.052 ( -5.025 10.369 1.479) 11.616 7.250 ( -0.696 4.060 -0.573) 4.159 7.533 ( 2.313 0.532 4.520) 5.105 7.685 ( -6.206 2.777 -1.196) 6.904 7.997 ( 2.907 6.680 -1.297) 7.400 11.956 ( 0.269 -18.109 0.287) 18.114 13.551 ( -0.226 1.698 0.685) 1.845 15.010 ( 0.788 -3.080 -10.956) 11.408 15.213 ( 14.913 -17.350 6.780) 23.861 16.728 ( -5.967 21.871 0.548) 22.677 17.621 ( 0.303 14.724 -0.611) 14.740 ======================= Grid point 540 (257/324) ======================= q-point: (-0.07 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 8.531 -21.066 3.671) 23.022 2.035 ( -2.111 -25.212 7.289) 26.329 2.714 ( -1.019 -10.097 -13.965) 17.263 3.127 ( 7.469 -1.521 8.732) 11.591 3.230 ( 1.111 -17.886 -1.387) 17.975 3.449 ( 3.731 -11.544 2.980) 12.493 3.992 ( -0.083 -9.345 -6.339) 11.293 4.098 ( 0.855 -12.208 0.534) 12.249 4.233 ( -0.642 -7.434 1.873) 7.694 4.541 ( -3.325 -6.398 -6.467) 9.686 4.657 ( -0.037 -3.682 -3.201) 4.879 4.695 ( 2.154 -7.718 7.644) 11.074 4.958 ( -3.784 3.643 7.741) 9.355 5.173 ( -1.734 -2.383 0.980) 3.106 5.448 ( -0.995 -1.539 -0.972) 2.074 5.566 ( -0.464 -0.493 0.079) 0.682 5.608 ( -0.792 0.996 -0.062) 1.274 5.757 ( 0.779 -10.765 -1.647) 10.918 5.832 ( 3.446 -0.091 -4.125) 5.376 5.924 ( -2.615 0.775 0.375) 2.753 6.160 ( 1.904 -1.350 -5.186) 5.687 6.238 ( 2.269 1.684 3.609) 4.584 6.363 ( 0.121 2.801 -0.610) 2.869 6.435 ( 0.750 4.475 -0.496) 4.564 6.615 ( -1.325 8.121 -1.058) 8.296 6.894 ( -2.528 4.564 -0.079) 5.218 7.132 ( 0.611 7.582 1.461) 7.745 7.565 ( -1.073 -1.672 0.422) 2.031 7.650 ( -1.095 -2.471 1.020) 2.889 7.929 ( 0.405 1.653 -0.429) 1.755 12.243 ( 0.373 -11.633 0.182) 11.641 13.521 ( -0.188 1.433 0.445) 1.512 14.933 ( 1.184 5.146 5.802) 7.845 15.567 ( 7.903 -10.765 -5.511) 14.447 16.345 ( -4.021 16.474 0.524) 16.966 17.348 ( 0.052 13.684 -0.989) 13.720 ======================= Grid point 551 (258/324) ======================= q-point: (-0.29 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -7.575 -0.000 25.870) 26.956 0.800 ( -16.090 -0.000 2.853) 16.341 0.821 ( -15.864 -0.000 3.146) 16.173 2.186 ( 7.106 0.000 -7.334) 10.212 2.537 ( -2.740 -0.000 -8.073) 8.525 2.755 ( 5.521 0.000 -1.277) 5.667 3.041 ( 2.420 0.000 8.974) 9.294 3.230 ( 8.185 0.000 7.129) 10.854 3.648 ( 1.862 0.000 -0.187) 1.872 4.055 ( -1.018 -0.000 -1.251) 1.613 4.080 ( 0.015 0.000 -0.016) 0.022 4.634 ( -0.574 -0.000 -3.590) 3.636 4.759 ( 1.579 0.000 -5.299) 5.529 5.145 ( -3.462 -0.000 1.098) 3.632 5.375 ( 2.143 0.000 10.721) 10.933 5.436 ( 0.640 0.000 -0.031) 0.641 5.590 ( -4.550 -0.000 -4.232) 6.214 5.623 ( -0.827 -0.000 -0.028) 0.827 5.822 ( -0.518 -0.000 3.320) 3.360 5.956 ( -5.983 -0.000 -11.132) 12.639 6.183 ( 2.499 0.000 -1.601) 2.968 6.356 ( 2.890 0.000 -4.477) 5.329 6.567 ( 3.168 0.000 5.591) 6.426 6.793 ( 5.424 0.000 4.501) 7.049 6.943 ( 1.465 0.000 0.017) 1.466 7.111 ( -1.408 -0.000 0.011) 1.408 7.470 ( -11.125 -0.000 -11.631) 16.095 7.716 ( 2.649 0.000 8.173) 8.591 7.926 ( 2.591 0.000 2.570) 3.649 8.514 ( -1.850 -0.000 0.218) 1.863 11.130 ( -0.220 -0.000 -0.125) 0.253 12.144 ( -0.025 -0.000 0.083) 0.086 13.614 ( -0.243 -0.000 1.453) 1.473 15.395 ( -2.175 -0.000 2.240) 3.122 17.931 ( 0.573 0.000 -3.310) 3.360 18.163 ( 0.915 0.000 1.071) 1.408 ======================= Grid point 552 (259/324) ======================= q-point: (-0.21 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -10.151 -3.993 7.603) 13.296 0.859 ( -5.032 -10.104 26.402) 28.713 1.272 ( -8.758 -36.777 4.796) 38.108 2.225 ( 4.549 -4.325 -11.842) 13.402 2.707 ( -5.228 -20.387 -15.259) 25.996 2.916 ( 4.844 -12.810 2.383) 13.901 3.178 ( 4.980 -7.909 12.774) 15.828 3.277 ( 9.220 0.075 10.183) 13.737 3.689 ( 2.239 -3.558 1.004) 4.322 4.147 ( 0.373 -6.396 0.581) 6.433 4.168 ( 1.203 -9.760 -4.960) 11.014 4.634 ( 0.558 0.784 -7.571) 7.632 4.768 ( -0.766 -6.470 -5.815) 8.733 5.125 ( -3.779 0.238 0.053) 3.787 5.351 ( -4.751 5.256 6.907) 9.895 5.424 ( -0.208 1.725 0.370) 1.776 5.509 ( 2.811 0.194 0.115) 2.820 5.702 ( -2.525 -5.206 -2.020) 6.129 5.797 ( -3.309 2.181 -1.767) 4.339 5.922 ( -0.724 -0.558 -2.392) 2.560 6.172 ( 2.894 1.843 -1.047) 3.588 6.332 ( 1.082 1.609 -4.447) 4.851 6.566 ( 4.153 3.857 7.158) 9.130 6.798 ( 4.743 2.825 3.676) 6.632 6.882 ( 0.340 6.334 -0.534) 6.365 7.146 ( -1.560 -3.763 -0.390) 4.092 7.380 ( -8.330 1.764 -5.718) 10.257 7.662 ( -1.145 6.889 7.403) 10.177 7.889 ( 0.353 5.336 2.882) 6.075 8.365 ( 0.145 10.653 -0.753) 10.680 11.263 ( -0.118 -13.434 0.056) 13.434 13.094 ( 20.961 -75.528 -15.198) 79.842 13.609 ( 0.016 0.739 1.764) 1.913 15.363 ( 0.719 4.647 11.244) 12.188 17.670 ( -4.071 23.310 -2.863) 23.835 18.092 ( 0.683 7.912 0.381) 7.950 ======================= Grid point 553 (260/324) ======================= q-point: (-0.14 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 2.954 -16.904 6.934) 18.508 1.180 ( -1.813 -17.928 21.614) 28.140 1.990 ( -4.056 -38.847 3.848) 39.247 2.331 ( 1.400 -9.261 -14.698) 17.428 3.015 ( -4.592 -16.126 -13.192) 21.334 3.203 ( 5.694 -5.791 7.624) 11.139 3.345 ( 7.119 -13.389 8.686) 17.475 3.525 ( 4.239 -16.353 6.542) 18.116 3.834 ( 3.089 -10.697 5.114) 12.252 4.286 ( -0.032 -7.090 -0.992) 7.159 4.306 ( -0.427 -6.478 -7.400) 9.844 4.586 ( -0.442 -0.235 -8.758) 8.772 4.966 ( -1.609 -11.111 -1.885) 11.384 5.113 ( -3.880 -0.875 -0.045) 3.978 5.267 ( -5.101 -1.308 -1.087) 5.377 5.435 ( 3.946 -1.037 6.748) 7.885 5.545 ( 4.305 -1.150 -0.523) 4.487 5.715 ( -4.359 3.278 -3.038) 6.243 5.771 ( -2.395 -3.679 -3.007) 5.321 5.939 ( 0.479 -0.676 1.940) 2.109 6.142 ( 3.613 1.941 -4.516) 6.101 6.298 ( 0.837 1.495 -0.875) 1.924 6.508 ( 3.185 5.467 5.905) 8.654 6.722 ( 0.883 8.231 -0.977) 8.336 6.776 ( 1.437 3.266 1.407) 3.836 7.187 ( -2.510 1.325 -0.516) 2.885 7.281 ( -3.299 4.092 2.488) 5.815 7.577 ( -1.572 1.628 3.068) 3.812 7.758 ( -2.983 7.913 2.000) 8.690 8.172 ( 2.703 9.993 -2.386) 10.623 11.591 ( 0.175 -19.814 0.622) 19.825 13.583 ( -0.254 1.511 0.883) 1.768 14.398 ( 19.391 -50.933 -27.136) 60.882 15.309 ( 7.078 6.217 18.812) 21.039 17.147 ( -7.984 25.872 0.139) 27.076 17.889 ( 0.251 13.226 -0.735) 13.248 ======================= Grid point 554 (261/324) ======================= q-point: (-0.07 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 7.003 -20.897 6.025) 22.848 1.607 ( -0.631 -22.064 15.054) 26.718 2.461 ( -0.901 -11.694 -15.714) 19.608 2.697 ( -1.592 -32.317 0.589) 32.361 3.202 ( 2.006 -5.576 1.458) 6.103 3.297 ( 6.645 -4.390 7.803) 11.150 3.737 ( 2.316 -18.867 1.218) 19.048 3.815 ( 2.594 -13.079 -3.308) 13.738 4.111 ( 1.735 -10.328 7.598) 12.939 4.376 ( -2.804 -6.433 -9.898) 12.133 4.460 ( -0.270 -12.513 2.409) 12.746 4.611 ( -0.014 -3.788 -5.647) 6.800 5.025 ( -4.000 2.075 6.848) 8.198 5.124 ( -3.460 -2.156 0.525) 4.111 5.361 ( -1.342 -7.183 -5.066) 8.892 5.556 ( -1.428 -0.525 2.260) 2.725 5.563 ( 3.396 -7.106 -0.938) 7.931 5.645 ( 1.150 1.643 -1.537) 2.527 5.804 ( -1.095 -2.134 -4.116) 4.764 5.941 ( -0.307 1.250 1.795) 2.209 6.127 ( 3.424 -0.711 -6.646) 7.509 6.281 ( 0.843 0.954 2.117) 2.471 6.433 ( 1.511 4.807 3.828) 6.328 6.565 ( 0.839 8.002 -0.902) 8.096 6.721 ( 0.468 3.771 -1.858) 4.230 7.025 ( -3.591 10.380 3.518) 11.533 7.251 ( 0.615 2.651 0.932) 2.876 7.575 ( 1.204 2.485 4.014) 4.872 7.622 ( -5.577 1.170 -1.236) 5.831 8.012 ( 2.089 7.001 -1.766) 7.516 11.963 ( 0.491 -18.083 0.905) 18.112 13.552 ( -0.269 1.753 0.671) 1.897 14.965 ( 1.309 -9.994 -9.405) 13.786 15.387 ( 15.259 -7.467 5.815) 17.955 16.673 ( -6.672 20.739 0.862) 21.803 17.616 ( -0.134 14.803 -1.587) 14.889 ======================= Grid point 566 (262/324) ======================= q-point: (-0.21 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -16.464 -0.000 7.979) 18.296 0.702 ( -15.604 -0.000 6.979) 17.093 0.869 ( 1.412 0.000 41.171) 41.195 2.168 ( 2.459 0.000 -15.280) 15.477 2.429 ( -5.286 -0.000 -15.799) 16.660 2.819 ( 7.083 0.000 1.725) 7.290 3.128 ( 2.832 0.000 13.136) 13.438 3.376 ( 10.623 0.000 13.867) 17.468 3.680 ( 3.448 0.000 2.873) 4.488 4.032 ( -1.482 -0.000 -2.885) 3.244 4.080 ( 0.015 0.000 -0.017) 0.023 4.596 ( -1.447 -0.000 -7.657) 7.793 4.707 ( -0.930 -0.000 -14.865) 14.894 5.112 ( -3.499 -0.000 -1.011) 3.642 5.418 ( -9.328 -0.000 2.461) 9.647 5.441 ( 0.683 0.000 -0.087) 0.688 5.528 ( 1.280 0.000 0.950) 1.594 5.615 ( -0.901 -0.000 -0.082) 0.905 5.797 ( -2.865 -0.000 -3.222) 4.312 5.917 ( 2.814 0.000 -0.346) 2.835 6.202 ( 2.927 0.000 -0.922) 3.069 6.332 ( -1.379 -0.000 -4.587) 4.789 6.658 ( 6.196 0.000 10.077) 11.829 6.860 ( 4.636 0.000 2.927) 5.483 6.958 ( 1.764 0.000 0.029) 1.764 7.097 ( -1.701 -0.000 0.029) 1.701 7.322 ( -8.195 -0.000 -7.413) 11.051 7.799 ( 3.389 0.000 7.763) 8.470 7.957 ( 1.768 0.000 3.743) 4.140 8.506 ( -1.125 -0.000 2.090) 2.373 11.127 ( -0.251 -0.000 -0.243) 0.349 12.145 ( -0.000 -0.000 0.174) 0.174 13.622 ( -0.130 -0.000 1.709) 1.714 15.459 ( 4.655 0.000 19.476) 20.025 17.908 ( 1.557 0.000 -8.921) 9.056 18.174 ( 0.641 0.000 0.401) 0.756 ======================= Grid point 567 (263/324) ======================= q-point: (-0.14 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -4.919 -9.647 10.469) 15.062 0.987 ( -2.168 -11.880 26.292) 28.933 1.254 ( -4.997 -33.974 16.997) 38.316 2.164 ( 0.004 -4.166 -17.794) 18.275 2.567 ( -5.526 -19.521 -16.814) 26.350 2.981 ( 5.788 -12.355 2.608) 13.891 3.294 ( 3.966 -10.355 14.463) 18.225 3.435 ( 10.209 2.154 14.278) 17.684 3.729 ( 3.681 -3.389 3.649) 6.192 4.137 ( -0.352 -8.360 -8.149) 11.680 4.154 ( 0.522 -7.247 0.217) 7.269 4.578 ( -1.222 1.866 -12.217) 12.419 4.700 ( -2.989 -9.586 -13.051) 16.467 5.088 ( -3.862 0.177 -0.594) 3.911 5.282 ( -10.108 4.501 0.181) 11.066 5.472 ( 3.080 -0.601 5.248) 6.115 5.546 ( 4.063 0.013 1.709) 4.408 5.658 ( -3.748 -3.887 -2.376) 5.899 5.757 ( -1.844 1.989 -2.374) 3.605 5.939 ( 3.684 -0.386 0.593) 3.752 6.191 ( 3.622 2.035 -4.104) 5.839 6.310 ( -1.751 0.527 -0.298) 1.852 6.655 ( 5.128 5.331 8.584) 11.331 6.851 ( 2.901 3.299 2.296) 4.957 6.879 ( 0.290 7.567 -0.469) 7.587 7.131 ( -1.276 -3.608 -0.168) 3.831 7.309 ( -2.740 -1.587 -0.031) 3.167 7.684 ( -4.083 10.107 7.408) 13.180 7.908 ( 0.913 6.708 3.141) 7.463 8.364 ( 0.401 10.037 -0.612) 10.064 11.263 ( -0.066 -13.714 0.163) 13.715 13.166 ( 18.090 -76.627 -26.537) 83.085 13.618 ( -0.030 0.167 1.098) 1.111 15.512 ( 10.953 4.408 24.356) 27.067 17.609 ( -4.592 24.986 -4.281) 25.763 18.096 ( 0.200 8.222 -0.244) 8.228 ======================= Grid point 568 (264/324) ======================= q-point: (-0.07 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 4.252 -18.964 8.920) 21.384 1.306 ( 1.192 -15.255 24.647) 29.010 1.984 ( -2.971 -38.597 6.028) 39.178 2.236 ( -2.512 -9.417 -18.163) 20.613 2.903 ( -4.105 -20.181 -12.380) 24.029 3.285 ( 4.700 -12.542 5.338) 14.418 3.486 ( 9.463 -4.208 13.117) 16.712 3.601 ( 4.106 -12.602 7.723) 15.340 3.901 ( 3.786 -12.328 7.611) 14.975 4.223 ( -3.086 -5.333 -12.499) 13.935 4.296 ( -0.180 -6.530 0.350) 6.542 4.519 ( -1.750 -1.900 -11.593) 11.877 4.915 ( -3.555 -13.714 -9.162) 16.872 5.078 ( -4.192 -0.855 1.671) 4.593 5.218 ( -3.942 -1.854 -0.526) 4.388 5.505 ( 1.862 -0.249 5.101) 5.436 5.582 ( 4.356 -0.690 -0.596) 4.451 5.660 ( -3.096 0.695 -1.995) 3.748 5.742 ( -1.117 -2.166 -1.708) 2.976 5.959 ( 1.950 0.088 0.166) 1.959 6.148 ( 4.721 2.376 -6.670) 8.510 6.296 ( -1.727 0.511 2.486) 3.069 6.574 ( 3.256 6.937 6.630) 10.133 6.722 ( -0.033 8.397 -0.576) 8.417 6.789 ( 0.730 4.184 0.123) 4.249 7.175 ( -0.367 1.148 1.148) 1.664 7.283 ( -0.860 3.958 4.746) 6.239 7.570 ( -3.362 0.095 3.033) 4.529 7.749 ( -1.339 10.141 1.785) 10.383 8.178 ( 1.686 9.620 -2.931) 10.197 11.598 ( 0.358 -20.096 0.998) 20.124 13.585 ( -0.380 1.501 0.702) 1.700 14.372 ( 10.035 -47.302 -30.674) 57.263 15.528 ( 15.888 6.434 20.121) 26.433 17.075 ( -8.259 25.427 1.333) 26.768 17.882 ( -0.353 13.533 -1.393) 13.609 ======================= Grid point 581 (265/324) ======================= q-point: (-0.14 -0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -12.542 -0.000 13.357) 18.322 0.622 ( -12.192 -0.000 11.680) 16.885 1.147 ( 7.694 0.000 44.545) 45.205 2.073 ( -2.419 -0.000 -19.460) 19.609 2.287 ( -5.592 -0.000 -17.453) 18.326 2.891 ( 6.308 0.000 1.448) 6.472 3.228 ( 2.602 0.000 14.762) 14.989 3.556 ( 10.128 0.000 15.721) 18.701 3.739 ( 4.638 0.000 5.478) 7.177 3.998 ( -1.750 -0.000 -4.505) 4.833 4.080 ( 0.016 0.000 -0.018) 0.024 4.515 ( -4.575 -0.000 -13.625) 14.373 4.592 ( -2.912 -0.000 -19.054) 19.275 5.072 ( -4.376 -0.000 -0.670) 4.427 5.283 ( -13.255 -0.000 -2.455) 13.481 5.447 ( 0.584 0.000 -0.125) 0.597 5.592 ( 4.292 0.000 3.504) 5.541 5.607 ( -0.796 -0.000 -0.120) 0.806 5.765 ( -1.270 -0.000 -2.162) 2.507 5.961 ( 5.467 0.000 0.775) 5.522 6.212 ( 3.829 0.000 -8.087) 8.948 6.311 ( -2.109 -0.000 4.330) 4.816 6.760 ( 4.350 0.000 6.426) 7.760 6.913 ( 3.720 0.000 3.813) 5.327 6.975 ( 1.841 0.000 0.035) 1.842 7.081 ( -1.785 -0.000 0.042) 1.785 7.274 ( 2.228 0.000 2.031) 3.015 7.809 ( -6.847 -0.000 2.447) 7.271 8.021 ( 7.035 0.000 1.766) 7.254 8.519 ( 0.665 0.000 4.037) 4.091 11.123 ( -0.228 -0.000 -0.316) 0.390 12.146 ( 0.023 0.000 0.232) 0.233 13.626 ( -0.654 -0.000 1.027) 1.217 15.692 ( 17.300 0.000 26.654) 31.776 17.866 ( 1.464 0.000 -11.707) 11.798 18.179 ( 0.175 0.000 0.097) 0.200 ======================= Grid point 582 (266/324) ======================= q-point: (-0.07 -0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 0.132 -13.062 13.198) 18.569 1.049 ( -5.656 -27.632 13.280) 31.175 1.401 ( 5.294 -15.686 32.865) 36.800 2.040 ( -4.348 -4.311 -20.504) 21.399 2.434 ( -4.616 -20.304 -14.931) 25.623 3.042 ( 4.751 -12.057 1.571) 13.054 3.406 ( 3.158 -11.405 15.130) 19.208 3.601 ( 8.413 3.159 13.870) 16.527 3.796 ( 5.175 -3.149 6.408) 8.818 4.071 ( -2.504 -6.192 -11.253) 13.086 4.161 ( 0.623 -7.510 0.348) 7.544 4.488 ( -2.788 2.457 -12.699) 13.232 4.575 ( -5.341 -12.555 -18.740) 23.181 5.050 ( -4.766 -0.336 1.209) 4.929 5.204 ( -6.485 1.298 0.051) 6.614 5.511 ( 1.983 -4.418 1.190) 4.986 5.569 ( -1.926 1.880 -0.465) 2.731 5.638 ( 1.742 -1.585 0.593) 2.429 5.735 ( -0.997 1.568 -1.429) 2.345 5.978 ( 4.000 0.679 -0.829) 4.141 6.193 ( 5.536 1.547 -8.432) 10.205 6.308 ( -2.582 0.717 5.266) 5.909 6.731 ( 2.517 5.378 4.881) 7.686 6.865 ( -0.757 6.784 3.079) 7.488 6.903 ( 3.309 6.457 0.770) 7.297 7.125 ( -0.016 -3.971 0.420) 3.993 7.337 ( 5.083 -1.559 5.768) 7.845 7.658 ( -8.629 9.488 5.464) 13.941 7.938 ( 2.185 9.151 1.351) 9.505 8.365 ( 0.386 10.852 0.095) 10.859 11.263 ( 0.020 -14.128 0.207) 14.129 13.136 ( 8.668 -74.186 -28.932) 80.098 13.617 ( -0.953 0.422 0.357) 1.102 15.794 ( 20.754 5.680 21.597) 30.486 17.546 ( -4.959 25.847 -2.400) 26.427 18.093 ( -0.497 8.644 -0.414) 8.668 ======================= Grid point 596 (267/324) ======================= q-point: (-0.07 -0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -4.434 -0.000 16.148) 16.746 0.615 ( -5.449 -0.000 16.570) 17.443 1.470 ( 11.334 0.000 41.423) 42.945 1.922 ( -6.849 -0.000 -20.146) 21.278 2.145 ( -5.029 -0.000 -16.811) 17.547 2.944 ( 3.908 0.000 0.655) 3.962 3.333 ( 2.728 0.000 15.142) 15.386 3.706 ( 5.775 0.000 11.146) 12.553 3.831 ( 6.451 0.000 10.028) 11.924 3.953 ( -1.817 -0.000 -6.061) 6.327 4.080 ( 0.016 0.000 -0.018) 0.024 4.359 ( -7.673 -0.000 -21.948) 23.251 4.479 ( -2.481 -0.000 -12.386) 12.632 5.026 ( -5.988 -0.000 1.383) 6.146 5.184 ( -5.958 -0.000 -1.924) 6.261 5.450 ( 0.328 0.000 -0.134) 0.354 5.600 ( -0.493 -0.000 -0.133) 0.511 5.621 ( 0.530 0.000 0.302) 0.610 5.746 ( -0.881 -0.000 -1.842) 2.042 6.001 ( 2.948 0.000 -3.017) 4.218 6.214 ( 7.520 0.000 -6.645) 10.035 6.318 ( -2.609 -0.000 3.909) 4.700 6.794 ( -0.372 -0.000 1.969) 2.004 6.973 ( 3.757 0.000 4.291) 5.703 6.991 ( 1.428 0.000 0.035) 1.428 7.066 ( -1.388 -0.000 0.047) 1.389 7.380 ( 13.089 0.000 7.951) 15.315 7.734 ( -11.155 -0.000 2.879) 11.520 8.060 ( 2.728 0.000 -5.338) 5.995 8.558 ( 2.393 0.000 4.160) 4.799 11.120 ( -0.156 -0.000 -0.333) 0.368 12.148 ( 0.040 0.000 0.246) 0.249 13.622 ( -1.058 -0.000 0.555) 1.195 16.008 ( 23.764 0.000 15.918) 28.603 17.809 ( -2.104 -0.000 -8.599) 8.853 18.178 ( -0.434 -0.000 0.014) 0.434 ======================= Grid point 597 (268/324) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -0.000 -0.000 0.000) 0.000 0.936 ( -0.000 -0.000 0.000) 0.000 1.457 ( -0.000 -0.000 0.000) 0.000 1.868 ( -0.000 -0.000 -0.000) 0.000 2.206 ( -0.000 -0.000 0.000) 0.000 2.968 ( -0.000 -0.000 0.000) 0.000 3.627 ( -0.000 -0.000 0.000) 0.000 3.778 ( -0.000 -0.000 0.000) 0.000 3.810 ( -0.000 -0.000 0.000) 0.000 3.926 ( -0.000 -0.000 0.000) 0.000 4.030 ( 0.000 0.000 0.000) 0.000 4.080 ( 0.000 0.000 0.000) 0.000 4.387 ( -0.000 -0.000 0.000) 0.000 5.007 ( 0.000 0.000 0.000) 0.000 5.096 ( 0.000 0.000 0.000) 0.000 5.450 ( -0.000 -0.000 0.000) 0.000 5.595 ( -0.000 -0.000 0.000) 0.000 5.607 ( -0.000 -0.000 0.000) 0.000 5.814 ( 0.000 0.000 -0.000) 0.000 5.816 ( -0.000 -0.000 0.000) 0.000 6.274 ( 0.000 0.000 0.000) 0.000 6.284 ( 0.000 0.000 0.000) 0.000 6.825 ( 0.000 0.000 0.000) 0.000 6.999 ( -0.000 -0.000 0.000) 0.000 7.042 ( -0.000 -0.000 0.000) 0.000 7.059 ( -0.000 -0.000 0.000) 0.000 7.602 ( 0.000 0.000 0.000) 0.000 7.742 ( 0.000 0.000 0.000) 0.000 7.926 ( -0.000 -0.000 0.000) 0.000 8.621 ( -0.000 -0.000 0.000) 0.000 11.114 ( -0.000 -0.000 0.000) 0.000 12.151 ( -0.000 -0.000 0.000) 0.000 13.622 ( -0.000 -0.000 0.000) 0.000 16.278 ( -0.000 -0.000 0.000) 0.000 17.713 ( -0.000 -0.000 0.000) 0.000 18.172 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 599 (269/324) ======================= q-point: ( 0.07 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -2.541 -10.621 -6.084) 12.501 1.231 ( 3.030 -32.866 -3.618) 33.203 1.537 ( 0.332 -7.621 8.678) 11.554 1.886 ( 1.392 -0.851 -0.197) 1.643 2.374 ( -0.965 -18.817 -5.446) 19.613 3.091 ( -1.501 -12.586 -0.319) 12.679 3.742 ( 0.410 -2.994 0.134) 3.025 3.779 ( -1.092 -9.168 -4.047) 10.081 3.814 ( -1.289 -1.343 1.291) 2.265 4.020 ( -0.974 -0.213 -2.946) 3.110 4.092 ( 2.040 -14.088 6.986) 15.857 4.167 ( 0.671 -8.247 1.873) 8.484 4.342 ( -1.370 3.602 -0.563) 3.895 5.048 ( 4.471 -2.752 0.766) 5.306 5.111 ( -0.473 -1.473 1.392) 2.081 5.525 ( -0.657 -7.022 0.041) 7.052 5.534 ( 0.327 4.263 0.294) 4.285 5.633 ( -0.705 -0.580 0.467) 1.026 5.787 ( 0.489 1.157 -6.234) 6.359 5.833 ( 0.143 0.018 8.025) 8.026 6.215 ( -11.459 0.869 -0.874) 11.526 6.321 ( 10.759 0.950 -0.614) 10.819 6.785 ( -0.365 3.977 -0.373) 4.011 6.928 ( -0.686 7.222 -0.069) 7.255 6.940 ( -1.435 6.297 -0.496) 6.477 7.143 ( -0.723 -4.787 -0.207) 4.846 7.555 ( 0.452 4.941 -3.251) 5.932 7.682 ( -1.194 4.252 -1.626) 4.706 7.872 ( 2.498 6.714 2.779) 7.683 8.396 ( -0.046 16.702 -0.621) 16.713 11.268 ( 0.047 -15.235 -0.081) 15.235 12.832 ( -0.999 -59.596 2.388) 59.652 13.613 ( 0.327 0.930 0.101) 0.991 16.199 ( -0.124 7.585 -5.256) 9.229 17.492 ( -1.831 20.818 1.162) 20.931 18.076 ( -0.359 9.640 0.519) 9.660 ======================= Grid point 600 (270/324) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -4.979 -17.055 -8.595) 19.737 1.695 ( -3.367 -14.499 5.539) 15.882 1.885 ( 4.990 -12.914 -8.476) 16.233 2.008 ( 3.860 -24.259 8.195) 25.895 2.799 ( -1.084 -25.387 -3.721) 25.681 3.383 ( -2.510 -18.249 -1.115) 18.454 3.751 ( -4.164 0.858 -3.437) 5.467 3.857 ( 2.614 -7.977 8.393) 11.870 3.929 ( -4.780 -1.516 -7.959) 9.407 4.160 ( -2.774 -16.050 -8.966) 18.593 4.282 ( 1.442 -0.870 2.157) 2.736 4.303 ( 1.968 -7.639 1.727) 8.075 4.514 ( 4.412 -21.065 13.413) 25.360 5.125 ( 2.326 -3.125 -3.712) 5.381 5.164 ( 1.585 -3.535 4.515) 5.950 5.451 ( 1.813 5.075 2.048) 5.765 5.609 ( -2.274 0.698 0.467) 2.424 5.670 ( -0.699 -5.721 -0.852) 5.826 5.752 ( -0.605 0.714 -2.066) 2.268 5.864 ( 1.513 -0.940 5.035) 5.341 6.141 ( -10.646 1.040 -1.240) 10.768 6.338 ( 8.716 1.661 -1.387) 8.980 6.680 ( -0.727 6.460 -0.801) 6.550 6.744 ( -0.321 10.498 -0.987) 10.549 6.801 ( -2.975 7.116 0.279) 7.718 7.220 ( -1.811 -3.618 -1.097) 4.192 7.392 ( 3.023 11.189 -2.590) 11.877 7.626 ( -0.988 1.043 -4.158) 4.399 7.725 ( 3.299 9.654 2.982) 10.629 8.136 ( -0.641 10.516 0.852) 10.570 11.626 ( 0.016 -21.014 -0.694) 21.025 13.589 ( 0.366 1.430 -0.007) 1.476 13.978 ( -3.312 -55.057 6.475) 55.535 15.970 ( -1.724 13.665 -8.883) 16.390 17.038 ( 0.558 24.705 1.093) 24.736 17.841 ( -0.469 14.510 1.366) 14.582 ======================= Grid point 601 (271/324) ======================= q-point: ( 0.21 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -7.119 -19.061 -8.097) 21.899 1.953 ( -2.378 -14.287 -3.980) 15.021 2.081 ( 3.913 -11.866 5.916) 13.825 2.588 ( 4.013 -25.977 6.776) 27.145 3.219 ( -1.221 -19.040 -3.651) 19.425 3.639 ( -6.232 -5.840 -8.997) 12.405 3.780 ( -2.326 -10.257 2.618) 10.838 3.917 ( -7.116 -5.652 -6.771) 11.332 4.095 ( 1.175 -12.505 7.786) 14.778 4.235 ( 3.906 -1.743 -1.118) 4.421 4.441 ( 2.594 -5.427 3.730) 7.078 4.579 ( -1.008 -20.940 -7.180) 22.160 4.956 ( 5.128 -17.715 10.425) 21.185 5.167 ( -0.233 -1.932 -3.087) 3.649 5.235 ( 2.169 -0.565 0.640) 2.331 5.406 ( 3.835 0.514 6.359) 7.443 5.572 ( 0.824 2.063 -1.119) 2.487 5.700 ( -3.321 0.341 1.604) 3.703 5.785 ( -2.598 -3.827 -1.676) 4.920 5.904 ( 2.137 -1.036 1.926) 3.058 6.087 ( -8.037 -0.634 -0.159) 8.063 6.333 ( 5.222 1.752 -1.882) 5.820 6.534 ( -0.926 8.005 -1.823) 8.262 6.564 ( -0.424 8.052 0.269) 8.067 6.664 ( -2.598 5.761 1.805) 6.573 7.116 ( 1.195 12.560 -4.295) 13.328 7.295 ( -0.848 1.517 -1.097) 2.055 7.512 ( 5.336 7.939 2.241) 9.825 7.677 ( -0.144 -1.771 -2.196) 2.825 7.984 ( -1.598 5.593 1.345) 5.970 11.999 ( -0.067 -17.715 -1.213) 17.757 13.559 ( 0.297 1.733 -0.082) 1.760 14.816 ( -4.018 -33.465 4.084) 33.952 15.659 ( -3.297 14.317 -7.606) 16.544 16.622 ( 3.180 20.369 1.141) 20.648 17.562 ( -0.358 14.705 1.956) 14.839 ======================= Grid point 602 (272/324) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -7.906 -18.625 -6.309) 21.194 2.222 ( 0.814 -16.599 -6.282) 17.766 2.375 ( 1.517 -14.339 10.810) 18.021 3.019 ( 2.391 -16.178 8.296) 18.338 3.403 ( -3.944 -1.622 -5.758) 7.166 3.665 ( -6.014 -6.692 -8.040) 12.066 3.922 ( -3.343 -7.525 3.085) 8.793 4.145 ( -1.987 -16.582 -1.595) 16.777 4.265 ( -0.582 -5.808 -1.065) 5.934 4.413 ( 3.829 -12.764 -0.276) 13.328 4.538 ( 2.757 -2.764 3.951) 5.555 4.869 ( -1.342 -8.533 -4.938) 9.950 5.115 ( 2.575 1.443 -5.659) 6.382 5.184 ( -0.817 -0.480 -0.725) 1.193 5.340 ( 4.766 -8.548 8.767) 13.139 5.485 ( 1.027 -3.475 5.007) 6.181 5.547 ( 4.961 1.180 -2.437) 5.652 5.683 ( -2.101 0.353 5.734) 6.117 5.836 ( -3.335 -3.930 -2.359) 5.668 5.924 ( 0.975 -0.476 -0.251) 1.114 6.094 ( -3.442 -1.956 1.816) 4.355 6.314 ( 0.139 1.343 -1.610) 2.101 6.375 ( -1.145 7.894 -0.401) 7.986 6.440 ( -0.644 4.437 -0.180) 4.487 6.581 ( -1.436 2.554 1.376) 3.237 6.888 ( 3.081 10.298 -2.068) 10.946 7.157 ( 0.582 10.496 0.101) 10.513 7.507 ( 2.482 -2.809 1.604) 4.077 7.721 ( -0.027 -3.735 -2.597) 4.549 7.914 ( -1.203 1.717 0.998) 2.322 12.262 ( -0.169 -10.360 -0.811) 10.393 13.529 ( 0.207 1.507 -0.228) 1.538 15.185 ( -3.386 -4.871 -11.374) 12.828 15.463 ( -3.306 -0.698 6.992) 7.766 16.301 ( 3.342 15.800 1.173) 16.192 17.307 ( -0.229 12.663 1.790) 12.791 ======================= Grid point 603 (273/324) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -7.531 -16.115 -3.787) 18.187 2.546 ( 2.210 -17.574 -1.813) 17.805 2.665 ( 0.705 -12.778 7.380) 14.772 3.278 ( -1.202 -6.110 4.607) 7.745 3.319 ( -2.251 1.336 -3.214) 4.145 3.758 ( -4.739 -6.368 -2.128) 8.218 4.078 ( -0.028 -7.295 4.110) 8.373 4.344 ( -3.131 -6.738 -7.417) 10.498 4.434 ( -0.391 -10.495 0.220) 10.504 4.536 ( 1.411 -0.763 -0.112) 1.608 4.662 ( 3.582 -3.862 -1.575) 5.498 4.870 ( -1.908 -1.263 -1.814) 2.920 5.021 ( 1.636 8.003 -2.668) 8.593 5.254 ( 0.516 -5.235 -0.633) 5.299 5.478 ( 2.059 -1.862 -0.957) 2.936 5.521 ( 2.341 -0.185 0.526) 2.407 5.560 ( 1.639 -1.019 2.601) 3.239 5.711 ( -0.033 0.237 7.629) 7.633 5.899 ( 1.477 -4.633 -1.908) 5.224 5.940 ( -0.661 -1.000 0.327) 1.242 6.114 ( -1.029 -0.187 1.766) 2.052 6.230 ( -1.154 5.718 0.297) 5.841 6.262 ( -1.965 3.506 -0.646) 4.071 6.390 ( -1.129 1.842 1.507) 2.634 6.555 ( -0.492 -0.650 -4.830) 4.898 6.782 ( 1.912 2.530 2.359) 3.953 6.981 ( 2.215 8.015 2.034) 8.560 7.592 ( -0.038 -4.965 0.478) 4.988 7.797 ( -1.288 -4.302 -2.757) 5.270 7.906 ( 1.283 -0.851 1.339) 2.040 12.391 ( -0.227 -3.974 0.278) 3.990 13.504 ( 0.139 1.083 -0.296) 1.131 15.074 ( -2.933 5.202 -11.046) 12.557 15.582 ( -1.868 -5.663 6.701) 8.970 16.063 ( 2.223 11.053 1.252) 11.344 17.095 ( -0.158 10.021 0.986) 10.071 ======================= Grid point 604 (274/324) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -5.180 -10.458 -1.197) 11.732 2.856 ( 2.612 -12.678 1.529) 13.034 2.882 ( -0.269 -8.497 1.391) 8.615 3.172 ( -2.050 5.706 -1.475) 6.240 3.471 ( 0.575 -7.331 4.197) 8.467 3.851 ( -3.329 -5.634 0.304) 6.551 4.166 ( 0.661 0.215 0.235) 0.734 4.356 ( -1.598 1.404 -5.531) 5.926 4.509 ( -1.192 5.617 -1.607) 5.963 4.550 ( -1.392 -5.914 -0.342) 6.085 4.718 ( 3.187 -5.675 1.162) 6.612 4.847 ( 1.906 9.197 -1.773) 9.558 5.001 ( -1.742 -8.149 -1.295) 8.433 5.333 ( 2.338 -2.475 0.328) 3.421 5.469 ( 0.627 1.483 -1.137) 1.971 5.511 ( 2.232 2.031 0.279) 3.031 5.616 ( -2.489 -3.299 -0.117) 4.134 5.684 ( 1.069 3.100 3.553) 4.835 5.945 ( -1.174 0.200 0.524) 1.301 6.003 ( 3.502 -4.046 0.901) 5.426 6.080 ( -0.900 2.738 0.100) 2.884 6.156 ( -2.218 2.308 -0.317) 3.217 6.215 ( 1.233 0.583 0.863) 1.614 6.347 ( -0.843 1.957 0.273) 2.148 6.576 ( -0.706 -2.569 -1.118) 2.890 6.742 ( -0.169 3.654 -1.541) 3.969 6.927 ( 2.215 -0.052 3.520) 4.159 7.687 ( -0.501 -4.876 0.572) 4.935 7.813 ( -1.419 0.811 -1.639) 2.314 7.971 ( 1.734 -3.665 0.491) 4.084 12.432 ( -0.170 -0.862 0.737) 1.147 13.488 ( 0.069 0.567 -0.207) 0.607 14.965 ( -1.685 2.592 -5.929) 6.687 15.660 ( -0.753 -2.067 2.954) 3.683 15.916 ( 0.949 5.457 1.072) 5.642 16.941 ( -0.087 6.087 0.227) 6.092 ======================= Grid point 605 (275/324) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -0.000 0.000 0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 2.984 ( -0.000 -0.000 -0.000) 0.000 3.101 ( -0.000 0.000 0.000) 0.000 3.565 ( -0.000 0.000 0.000) 0.000 3.909 ( -0.000 0.000 0.000) 0.000 4.121 ( -0.000 0.000 0.000) 0.000 4.335 ( -0.000 0.000 -0.000) 0.000 4.432 ( -0.000 0.000 0.000) 0.000 4.679 ( -0.000 -0.000 -0.000) 0.000 4.688 ( 0.000 0.000 0.000) 0.000 4.796 ( -0.000 0.000 0.000) 0.000 5.080 ( -0.000 -0.000 0.000) 0.000 5.367 ( -0.000 0.000 0.000) 0.000 5.449 ( 0.000 0.000 -0.000) 0.000 5.490 ( -0.000 0.000 0.000) 0.000 5.642 ( -0.000 -0.000 -0.000) 0.000 5.660 ( 0.000 0.000 0.000) 0.000 5.937 ( -0.000 0.000 0.000) 0.000 6.047 ( -0.000 0.000 -0.000) 0.000 6.062 ( 0.000 -0.000 0.000) 0.000 6.117 ( -0.000 0.000 -0.000) 0.000 6.222 ( -0.000 0.000 0.000) 0.000 6.326 ( -0.000 0.000 0.000) 0.000 6.617 ( -0.000 0.000 0.000) 0.000 6.680 ( -0.000 0.000 0.000) 0.000 6.949 ( -0.000 0.000 0.000) 0.000 7.763 ( -0.000 -0.000 0.000) 0.000 7.769 ( -0.000 0.000 -0.000) 0.000 8.015 ( -0.000 0.000 0.000) 0.000 12.439 ( -0.000 0.000 0.000) 0.000 13.483 ( -0.000 0.000 0.000) 0.000 14.929 ( -0.000 0.000 0.000) 0.000 15.679 ( -0.000 0.000 0.000) 0.000 15.870 ( -0.000 0.000 0.000) 0.000 16.881 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 614 (276/324) ======================= q-point: ( 0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 4.864 0.000 -7.434) 8.884 0.906 ( 1.584 0.000 -12.158) 12.260 1.501 ( -0.509 -0.000 15.218) 15.227 1.900 ( 2.422 0.000 7.649) 8.023 2.141 ( -1.872 -0.000 -19.524) 19.614 2.952 ( -3.162 -0.000 -0.322) 3.179 3.582 ( -2.241 -0.000 -10.238) 10.481 3.810 ( -2.169 -0.000 -0.013) 2.169 3.817 ( 2.386 0.000 7.433) 7.806 3.957 ( 1.919 0.000 9.194) 9.392 4.019 ( -1.048 -0.000 -2.175) 2.415 4.080 ( -0.003 -0.000 -0.002) 0.003 4.368 ( -2.390 -0.000 0.358) 2.417 5.059 ( 8.334 0.000 0.027) 8.334 5.102 ( 0.607 0.000 4.624) 4.664 5.448 ( -0.355 -0.000 0.062) 0.360 5.598 ( 0.467 0.000 0.064) 0.471 5.599 ( -2.170 -0.000 0.851) 2.331 5.785 ( 1.008 0.000 -5.975) 6.059 5.862 ( 0.059 0.000 10.199) 10.199 6.169 ( -11.228 -0.000 -0.949) 11.268 6.375 ( 9.902 0.000 -2.060) 10.114 6.821 ( -0.635 -0.000 -0.509) 0.813 6.991 ( -1.427 -0.000 -0.009) 1.427 7.016 ( -4.562 -0.000 -0.814) 4.634 7.066 ( 1.400 0.000 -0.025) 1.400 7.559 ( -4.203 -0.000 -10.090) 10.931 7.748 ( 2.124 0.000 2.490) 3.273 7.961 ( 3.454 0.000 3.898) 5.209 8.614 ( -0.419 -0.000 -1.815) 1.863 11.115 ( 0.126 0.000 0.130) 0.181 12.151 ( -0.010 -0.000 -0.101) 0.101 13.626 ( 0.703 0.000 0.168) 0.723 16.249 ( -0.067 -0.000 -11.094) 11.094 17.697 ( -5.255 -0.000 3.877) 6.530 18.171 ( -0.822 -0.000 0.777) 1.131 ======================= Grid point 615 (277/324) ======================= q-point: ( 0.14 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -3.089 -10.112 -12.209) 16.151 1.239 ( 5.448 -30.200 -7.901) 31.688 1.615 ( 0.175 -8.733 16.073) 18.293 1.897 ( 2.975 0.556 -4.947) 5.799 2.321 ( -1.007 -21.623 -6.946) 22.734 3.062 ( -4.083 -12.694 -0.763) 13.356 3.675 ( -3.285 -11.052 -12.993) 17.371 3.768 ( -4.455 0.980 -3.566) 5.790 3.840 ( 3.198 -1.869 10.683) 11.307 3.965 ( -4.405 -0.129 -8.121) 9.240 4.156 ( 1.155 -9.256 3.903) 10.112 4.215 ( 3.312 -13.934 13.368) 19.592 4.339 ( 0.822 2.032 3.221) 3.896 5.090 ( 2.691 -1.102 -2.661) 3.942 5.150 ( 6.606 -1.127 6.563) 9.380 5.514 ( -1.686 -5.956 -0.031) 6.190 5.542 ( 0.191 3.346 1.591) 3.710 5.628 ( -0.871 -1.165 0.869) 1.695 5.762 ( 0.367 1.176 -4.337) 4.509 5.885 ( 0.696 0.406 8.838) 8.875 6.108 ( -10.371 0.829 -0.553) 10.419 6.398 ( 7.832 1.123 -3.565) 8.678 6.775 ( -0.895 4.082 -0.871) 4.269 6.906 ( -4.325 6.040 0.431) 7.441 6.920 ( -0.903 7.396 -1.905) 7.690 7.133 ( -0.633 -4.374 -0.374) 4.436 7.501 ( -3.285 0.886 -10.747) 11.272 7.692 ( 3.130 7.094 2.146) 8.045 7.919 ( 3.625 6.909 2.250) 8.120 8.389 ( -0.051 16.155 -1.621) 16.236 11.268 ( 0.126 -15.050 -0.229) 15.052 12.838 ( -3.084 -59.882 6.659) 60.330 13.620 ( 0.804 0.994 0.203) 1.294 16.135 ( -1.693 7.759 -16.043) 17.901 17.479 ( -3.234 19.629 3.977) 20.288 18.075 ( -1.018 9.425 1.475) 9.594 ======================= Grid point 616 (278/324) ======================= q-point: ( 0.21 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -6.574 -16.656 -10.293) 20.654 1.660 ( -2.752 -14.880 -6.916) 16.638 1.929 ( 4.123 -8.463 6.304) 11.330 2.076 ( 4.895 -28.891 1.530) 29.343 2.777 ( -0.118 -25.307 -0.646) 25.315 3.344 ( -3.990 -17.944 -1.833) 18.474 3.676 ( -6.390 0.554 -6.143) 8.881 3.800 ( -7.451 -3.319 -12.575) 14.989 3.964 ( 3.958 -5.858 13.941) 15.631 4.078 ( -3.347 -16.144 -10.458) 19.524 4.307 ( 2.132 -4.457 -0.702) 4.990 4.343 ( 2.728 -5.329 6.214) 8.629 4.644 ( 5.333 -20.668 16.699) 27.101 5.121 ( 0.557 -2.059 -2.006) 2.928 5.218 ( 5.631 -1.524 1.649) 6.062 5.486 ( 1.579 3.388 4.004) 5.478 5.586 ( -2.824 -1.499 0.248) 3.207 5.658 ( -0.800 -2.267 -0.732) 2.513 5.738 ( -0.366 0.014 -1.560) 1.603 5.907 ( 1.295 -0.401 5.351) 5.520 6.048 ( -8.835 0.633 1.036) 8.918 6.386 ( 4.861 1.994 -4.770) 7.097 6.662 ( -1.575 6.706 -2.314) 7.267 6.732 ( -1.096 9.719 -1.368) 9.876 6.775 ( -2.890 6.504 1.417) 7.257 7.201 ( -0.731 -2.450 -1.411) 2.920 7.391 ( 1.639 8.767 -5.922) 10.705 7.613 ( 1.379 0.620 -1.593) 2.196 7.767 ( 3.920 10.501 0.297) 11.213 8.133 ( -1.299 10.617 1.527) 10.805 11.620 ( 0.016 -20.798 -1.252) 20.836 13.593 ( 0.535 1.428 -0.161) 1.534 13.984 ( -6.245 -54.260 11.900) 55.899 15.873 ( -4.102 12.950 -17.197) 21.915 17.060 ( 2.337 23.452 2.508) 23.701 17.845 ( -0.804 14.252 2.462) 14.486 ======================= Grid point 617 (279/324) ======================= q-point: ( 0.29 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -9.131 -19.332 -7.984) 22.822 1.894 ( -0.315 -15.361 -12.334) 19.703 2.161 ( 1.345 -12.362 13.588) 18.419 2.661 ( 3.906 -26.147 5.637) 27.031 3.191 ( -0.861 -17.619 -2.142) 17.770 3.517 ( -8.123 -2.636 -11.561) 14.373 3.769 ( -2.719 -12.584 2.307) 13.080 3.814 ( -6.361 -9.449 -6.546) 13.137 4.149 ( 0.428 -7.338 7.743) 10.676 4.263 ( 4.228 -6.837 -1.845) 8.248 4.485 ( 1.818 -5.594 4.075) 7.156 4.542 ( 0.483 -19.279 -4.773) 19.866 5.051 ( 4.743 -12.616 6.718) 15.059 5.155 ( 0.651 -1.452 -1.990) 2.548 5.265 ( 2.842 -2.710 2.158) 4.481 5.472 ( 1.869 -0.032 6.676) 6.932 5.581 ( 2.772 0.863 -0.647) 2.975 5.675 ( -3.827 -1.195 0.065) 4.010 5.747 ( -3.337 -1.789 -0.612) 3.835 5.932 ( 1.452 0.187 2.385) 2.799 6.032 ( -5.182 -2.379 2.441) 6.203 6.347 ( 1.666 2.186 -4.362) 5.155 6.508 ( -1.836 7.377 -3.297) 8.286 6.557 ( -1.174 8.049 -0.072) 8.135 6.662 ( -0.881 5.167 3.853) 6.506 7.108 ( 2.435 11.290 -4.801) 12.508 7.278 ( -1.087 2.710 -1.613) 3.336 7.581 ( 6.882 7.429 2.178) 10.359 7.658 ( -0.722 -1.800 -3.469) 3.974 7.974 ( -2.367 5.768 1.982) 6.542 11.990 ( -0.102 -17.745 -1.753) 17.831 13.561 ( 0.324 1.836 -0.239) 1.879 14.801 ( -5.327 -31.596 6.767) 32.749 15.567 ( -5.088 11.339 -11.851) 17.173 16.665 ( 4.451 20.453 1.522) 20.987 17.572 ( -0.442 14.673 2.839) 14.952 ======================= Grid point 618 (280/324) ======================= q-point: ( 0.36 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -10.056 -19.646 -5.824) 22.826 2.193 ( 1.468 -18.880 -8.374) 20.706 2.450 ( 0.813 -13.269 13.236) 18.760 3.086 ( 1.714 -15.444 8.625) 17.772 3.323 ( -5.323 0.254 -7.722) 9.382 3.566 ( -5.865 -10.192 -8.259) 14.370 3.906 ( -3.178 -9.396 3.109) 10.395 4.123 ( -0.941 -16.433 -1.738) 16.552 4.256 ( -0.007 -5.206 -0.630) 5.244 4.460 ( 5.207 -9.522 1.570) 10.966 4.581 ( 1.706 -3.157 4.149) 5.486 4.828 ( -1.382 -8.763 -6.007) 10.714 5.101 ( 2.099 2.227 -7.262) 7.881 5.181 ( 0.917 -1.248 -0.125) 1.554 5.411 ( 2.164 -5.751 5.209) 8.055 5.514 ( -0.829 -1.301 5.444) 5.658 5.591 ( 5.670 0.444 -0.534) 5.712 5.704 ( 0.097 -2.448 5.749) 6.249 5.786 ( -4.872 -5.523 -1.699) 7.559 5.931 ( 0.619 0.306 0.275) 0.743 6.083 ( -1.728 -2.936 2.758) 4.383 6.297 ( -1.021 2.465 -2.791) 3.861 6.361 ( -1.426 6.891 -0.241) 7.041 6.432 ( -0.757 3.974 -0.222) 4.052 6.585 ( 0.182 4.076 2.173) 4.622 6.907 ( 3.116 8.924 -1.772) 9.617 7.156 ( -0.238 8.614 -0.823) 8.657 7.545 ( 3.430 -0.162 1.856) 3.903 7.701 ( -0.643 -3.798 -3.453) 5.173 7.910 ( -1.063 0.936 1.508) 2.069 12.255 ( -0.188 -10.670 -0.993) 10.718 13.529 ( 0.189 1.557 -0.354) 1.608 15.093 ( -3.483 -1.028 -10.537) 11.145 15.462 ( -4.141 -5.984 5.421) 9.074 16.339 ( 3.420 16.439 1.104) 16.828 17.316 ( -0.210 12.896 2.248) 13.092 ======================= Grid point 619 (281/324) ======================= q-point: ( 0.43 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -9.115 -17.985 -3.512) 20.467 2.556 ( 2.481 -19.488 -2.325) 19.783 2.715 ( 0.843 -10.689 8.531) 13.702 3.226 ( -4.858 2.365 -6.329) 8.322 3.344 ( 0.726 -8.322 7.682) 11.349 3.703 ( -4.376 -7.994 -2.189) 9.373 4.097 ( -0.707 -9.119 4.377) 10.140 4.268 ( -2.597 -3.880 -9.368) 10.467 4.433 ( 0.011 -9.341 -0.085) 9.341 4.556 ( 1.972 0.091 1.442) 2.445 4.710 ( 5.740 -3.762 2.154) 7.193 4.833 ( -2.546 -1.563 -4.105) 5.077 5.009 ( 0.439 6.574 -5.048) 8.300 5.259 ( 1.102 -5.354 -0.784) 5.522 5.479 ( -0.604 -0.944 -1.193) 1.636 5.543 ( -0.565 -1.373 2.531) 2.935 5.599 ( 5.623 1.661 1.097) 5.965 5.736 ( -2.255 0.785 5.260) 5.776 5.912 ( 2.502 -6.538 -0.480) 7.017 5.932 ( -1.194 -1.065 0.652) 1.727 6.114 ( -0.879 0.197 1.704) 1.928 6.213 ( -1.498 4.697 -1.145) 5.061 6.262 ( 0.117 3.135 2.225) 3.846 6.391 ( -0.219 1.701 1.680) 2.400 6.528 ( -0.241 0.632 -3.495) 3.560 6.803 ( 0.949 3.900 0.878) 4.109 7.008 ( 1.488 6.274 1.163) 6.552 7.602 ( 0.884 -4.006 1.405) 4.336 7.767 ( -1.595 -3.923 -2.850) 5.105 7.924 ( 1.122 -1.840 0.941) 2.352 12.390 ( -0.218 -4.267 0.337) 4.285 13.504 ( 0.124 1.090 -0.354) 1.153 14.988 ( -3.011 3.538 -10.326) 11.323 15.601 ( -1.543 -5.514 5.901) 8.222 16.087 ( 1.613 11.654 0.976) 11.806 17.100 ( -0.095 10.314 1.103) 10.373 ======================= Grid point 620 (282/324) ======================= q-point: ( 0.50 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -5.568 -13.305 -1.165) 14.470 2.888 ( -0.202 -5.926 1.469) 6.108 2.892 ( 2.970 -13.038 1.783) 13.490 3.145 ( -1.937 2.976 -1.515) 3.861 3.502 ( 0.522 -6.019 4.998) 7.841 3.823 ( -2.995 -6.833 0.475) 7.476 4.165 ( -0.066 3.185 -2.377) 3.975 4.309 ( -1.898 -4.330 -4.539) 6.554 4.484 ( -1.532 1.929 -1.654) 2.967 4.554 ( 0.408 -0.480 1.169) 1.328 4.758 ( 3.863 -3.320 1.422) 5.288 4.850 ( 2.022 7.358 -3.004) 8.201 4.973 ( -2.539 -7.933 -1.358) 8.439 5.345 ( 0.095 -3.277 -1.137) 3.470 5.461 ( -1.356 0.921 -1.434) 2.178 5.557 ( 5.720 3.603 2.786) 7.312 5.589 ( -2.509 -1.051 0.343) 2.741 5.717 ( 1.984 1.612 2.985) 3.930 5.918 ( -2.998 -0.120 -2.060) 3.640 6.038 ( 1.999 -3.151 1.138) 3.901 6.081 ( 1.086 2.003 0.724) 2.391 6.135 ( -2.097 2.610 -0.661) 3.413 6.239 ( 1.240 1.025 2.929) 3.341 6.353 ( 1.496 2.339 1.180) 3.017 6.556 ( -2.201 -4.007 -0.831) 4.647 6.726 ( -0.997 4.211 -2.331) 4.916 6.959 ( 1.758 0.890 1.556) 2.511 7.694 ( 0.265 -4.577 1.524) 4.831 7.797 ( -0.456 -0.167 -0.530) 0.719 7.981 ( 0.521 -3.001 -0.698) 3.125 12.434 ( -0.148 -0.842 0.731) 1.125 13.488 ( 0.070 0.545 -0.208) 0.587 14.918 ( -1.724 0.313 -5.527) 5.798 15.673 ( 0.106 -1.521 2.997) 3.363 15.925 ( 0.021 5.963 0.630) 5.996 16.942 ( -0.004 6.215 0.221) 6.219 ======================= Grid point 621 (283/324) ======================= q-point: (-0.43 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 0.055 -2.961 0.052) 2.962 2.958 ( -1.599 -1.320 -1.023) 2.312 3.010 ( 1.739 2.903 2.306) 4.095 3.101 ( 0.314 -0.118 -0.680) 0.758 3.564 ( -0.127 1.838 -0.062) 1.844 3.909 ( -0.204 -1.576 0.269) 1.612 4.122 ( 0.046 -2.191 0.360) 2.221 4.332 ( 0.226 -0.612 -1.250) 1.410 4.431 ( -0.352 0.076 0.169) 0.398 4.655 ( -2.722 -8.583 -0.514) 9.019 4.714 ( 3.183 7.202 0.267) 7.879 4.800 ( 1.147 2.123 -0.089) 2.415 5.058 ( -3.410 -2.281 -1.339) 4.315 5.361 ( -1.251 0.700 -0.938) 1.714 5.461 ( 1.493 -0.473 0.905) 1.809 5.504 ( 1.883 2.876 3.233) 4.719 5.614 ( -1.940 -2.340 -1.640) 3.454 5.696 ( 3.666 3.063 1.549) 5.023 5.912 ( -2.948 -1.682 -2.640) 4.300 6.047 ( -0.948 0.562 0.015) 1.103 6.053 ( -0.487 1.779 -1.578) 2.427 6.134 ( 2.316 -1.752 1.001) 3.072 6.228 ( 0.269 1.457 2.952) 3.303 6.338 ( 1.988 0.364 0.895) 2.210 6.612 ( -1.091 0.225 -0.155) 1.125 6.665 ( -2.090 -2.323 -1.626) 3.522 6.947 ( 0.428 1.882 -1.186) 2.265 7.763 ( 0.417 0.421 -0.258) 0.647 7.784 ( 1.272 -0.823 2.431) 2.864 8.006 ( -1.196 0.406 -1.296) 1.809 12.439 ( 0.012 0.191 -0.031) 0.194 13.483 ( 0.012 -0.027 0.005) 0.030 14.929 ( -0.132 -2.551 0.031) 2.554 15.685 ( 1.021 0.758 0.414) 1.337 15.864 ( -0.993 0.471 -0.419) 1.176 16.881 ( 0.073 -0.006 -0.014) 0.075 ======================= Grid point 622 (284/324) ======================= q-point: (-0.36 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 3.886 8.092 0.997) 9.032 2.829 ( -1.784 12.742 -1.084) 12.912 2.878 ( 0.228 10.641 -1.026) 10.693 3.197 ( 1.865 -8.179 1.155) 8.468 3.447 ( -0.632 8.397 -2.822) 8.881 3.878 ( 2.838 4.196 -0.374) 5.079 4.156 ( -0.811 2.151 -0.806) 2.436 4.389 ( 0.613 -4.662 2.870) 5.508 4.517 ( 0.160 -5.760 0.656) 5.799 4.593 ( 4.047 5.479 4.597) 8.218 4.689 ( -2.094 7.678 -0.693) 7.988 4.829 ( -2.672 -10.110 -1.091) 10.514 5.011 ( -0.371 6.298 -0.158) 6.311 5.318 ( -0.550 2.611 0.931) 2.826 5.471 ( -0.589 0.059 1.865) 1.956 5.505 ( -0.166 -1.009 1.863) 2.125 5.618 ( -1.449 3.215 -1.337) 3.771 5.665 ( 1.086 -1.001 -4.643) 4.872 5.931 ( -1.541 -1.409 -2.381) 3.166 5.974 ( -2.477 3.481 0.058) 4.273 6.092 ( 1.150 -2.807 0.568) 3.086 6.162 ( 0.148 -0.771 -2.708) 2.819 6.232 ( 3.056 -1.203 4.849) 5.856 6.359 ( 1.814 -1.364 -0.441) 2.312 6.578 ( -1.375 0.595 0.819) 1.707 6.746 ( -0.555 -4.034 0.805) 4.151 6.886 ( -1.809 2.007 -4.433) 5.191 7.699 ( 1.805 5.320 0.981) 5.703 7.834 ( 1.117 -1.731 1.328) 2.451 7.947 ( -2.377 4.199 -1.216) 4.976 12.430 ( 0.152 0.863 -0.595) 1.059 13.489 ( -0.056 -0.573 0.165) 0.599 15.009 ( 1.291 -4.946 5.090) 7.214 15.656 ( 1.448 2.949 -2.358) 4.043 15.898 ( -1.628 -5.088 -1.206) 5.477 16.941 ( 0.133 -5.977 -0.185) 5.982 ======================= Grid point 623 (285/324) ======================= q-point: (-0.29 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 4.924 14.319 3.244) 15.485 2.536 ( -1.501 16.110 1.027) 16.212 2.625 ( -0.546 14.738 -5.300) 15.671 3.245 ( -0.545 11.201 -5.021) 12.287 3.374 ( 2.946 -6.816 4.287) 8.574 3.809 ( 3.977 4.692 1.713) 6.385 4.054 ( -0.697 6.449 -3.271) 7.265 4.396 ( 2.272 7.408 3.087) 8.341 4.435 ( 0.168 10.717 -0.448) 10.728 4.521 ( -2.232 1.281 -0.835) 2.706 4.678 ( 1.187 7.010 8.086) 10.767 4.888 ( 1.114 -0.607 0.008) 1.268 5.004 ( -2.897 -8.906 -1.285) 9.453 5.263 ( 1.646 4.528 1.237) 4.974 5.448 ( -5.329 4.238 0.051) 6.809 5.510 ( -0.736 1.787 1.203) 2.277 5.534 ( -0.814 0.927 -1.321) 1.807 5.661 ( -0.972 -0.166 -8.497) 8.554 5.905 ( -0.263 2.188 2.662) 3.456 5.939 ( -0.099 0.763 -0.863) 1.156 6.113 ( 0.525 0.183 -1.194) 1.317 6.233 ( 0.627 -6.854 -0.754) 6.924 6.301 ( 3.844 -2.130 2.332) 4.975 6.392 ( 1.004 -1.589 -1.548) 2.435 6.589 ( 0.683 0.455 5.907) 5.964 6.742 ( -2.742 -1.489 -4.367) 5.367 6.950 ( -1.971 -9.320 -1.816) 9.698 7.596 ( 0.822 6.214 0.312) 6.276 7.815 ( -0.049 5.314 1.504) 5.523 7.890 ( -0.473 -1.030 -0.883) 1.436 12.391 ( 0.175 3.735 -0.178) 3.743 13.504 ( -0.113 -1.058 0.191) 1.081 15.154 ( 2.143 -7.417 9.351) 12.126 15.564 ( 1.731 6.706 -6.123) 9.244 16.035 ( -2.138 -10.631 -1.103) 10.899 17.092 ( 0.158 -9.788 -0.671) 9.812 ======================= Grid point 624 (286/324) ======================= q-point: (-0.21 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 4.656 17.358 5.018) 18.659 2.245 ( 0.385 14.780 2.852) 15.058 2.310 ( -2.148 15.647 -6.483) 17.073 2.962 ( -1.656 17.301 -5.058) 18.101 3.454 ( 2.001 3.228 3.088) 4.895 3.756 ( 4.721 3.594 6.331) 8.677 3.924 ( 0.937 5.709 -3.727) 6.883 4.173 ( 2.193 15.161 0.962) 15.349 4.270 ( -0.343 6.095 0.425) 6.119 4.399 ( -0.778 17.894 1.739) 17.995 4.494 ( -2.528 2.486 -2.588) 4.390 4.910 ( 1.732 8.142 4.611) 9.516 5.114 ( -2.132 -3.439 2.356) 4.682 5.192 ( 1.215 2.136 -3.328) 4.137 5.253 ( -4.626 9.765 -3.220) 11.275 5.447 ( -1.826 5.975 -3.240) 7.038 5.529 ( -2.022 -1.946 2.134) 3.525 5.675 ( 1.765 -2.660 -4.013) 5.128 5.871 ( 1.976 3.075 1.930) 4.133 5.914 ( -1.305 1.251 -0.141) 1.813 6.121 ( 3.238 -0.633 -0.577) 3.349 6.313 ( -1.055 1.536 0.437) 1.914 6.385 ( 0.740 -8.317 0.300) 8.355 6.445 ( 0.377 -4.496 0.041) 4.512 6.592 ( 1.761 -1.681 -0.555) 2.497 6.874 ( -2.124 -12.147 1.600) 12.434 7.147 ( -0.841 -11.916 -0.572) 11.960 7.485 ( -1.049 5.089 -0.788) 5.255 7.730 ( -0.262 3.433 1.275) 3.672 7.920 ( 0.827 -2.098 -0.421) 2.294 12.266 ( 0.102 10.155 0.456) 10.165 13.528 ( -0.136 -1.451 0.105) 1.461 15.270 ( 2.245 10.899 9.802) 14.830 15.447 ( 1.767 -6.249 -7.246) 9.730 16.269 ( -2.171 -15.449 -0.789) 15.620 17.301 ( 0.159 -12.502 -0.980) 12.541 ======================= Grid point 625 (287/324) ======================= q-point: (-0.14 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 3.026 18.513 4.336) 19.253 1.964 ( 1.370 15.686 -5.138) 16.563 2.048 ( -2.303 9.399 3.602) 10.326 2.531 ( -1.769 26.763 -3.261) 27.019 3.244 ( 0.567 18.956 1.765) 19.046 3.721 ( 2.823 12.138 5.061) 13.451 3.780 ( 0.709 4.092 -2.616) 4.908 3.996 ( 3.304 3.687 3.112) 5.848 4.056 ( -0.614 15.719 -3.159) 16.045 4.209 ( -1.808 0.065 -0.038) 1.809 4.406 ( -1.394 5.283 -1.555) 5.681 4.628 ( 1.279 20.755 5.085) 21.407 4.865 ( -2.906 19.989 -6.679) 21.275 5.189 ( 0.466 2.265 2.841) 3.663 5.216 ( -0.850 0.866 -1.227) 1.726 5.351 ( -1.929 -1.302 -2.816) 3.653 5.572 ( -0.219 -2.600 0.479) 2.653 5.718 ( 1.552 -1.477 -0.641) 2.236 5.808 ( 1.140 4.985 0.675) 5.158 5.878 ( -1.419 1.770 -0.912) 2.445 6.167 ( 7.382 -1.561 1.127) 7.629 6.278 ( -6.386 -0.164 -0.344) 6.397 6.546 ( 0.285 -8.054 0.690) 8.088 6.565 ( 0.162 -8.155 -0.249) 8.161 6.679 ( 1.334 -6.281 -0.397) 6.434 7.128 ( -0.263 -13.852 1.875) 13.980 7.304 ( 0.251 0.096 0.322) 0.419 7.467 ( -2.061 -8.883 -1.010) 9.175 7.685 ( -0.017 1.873 0.738) 2.013 7.989 ( 0.568 -5.396 -0.474) 5.447 12.003 ( 0.023 17.704 0.433) 17.709 13.557 ( -0.121 -1.656 0.013) 1.661 14.827 ( 1.507 34.620 -1.363) 34.679 15.707 ( 1.114 -15.797 2.618) 16.051 16.597 ( -1.151 -20.595 -0.427) 20.632 17.557 ( 0.141 -14.719 -0.693) 14.736 ======================= Grid point 626 (288/324) ======================= q-point: (-0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -0.000 17.048 -0.000) 17.048 1.685 ( 0.000 13.217 0.000) 13.217 1.925 ( -0.000 4.063 -0.000) 4.063 1.931 ( 0.000 34.512 0.000) 34.512 2.817 ( -0.000 25.047 0.000) 25.047 3.398 ( 0.000 18.342 0.000) 18.342 3.781 ( 0.000 -1.021 0.000) 1.021 3.817 ( -0.000 8.251 0.000) 8.251 3.977 ( -0.000 1.456 0.000) 1.456 4.205 ( -0.000 15.221 -0.000) 15.221 4.277 ( -0.000 1.677 -0.000) 1.677 4.280 ( 0.000 7.543 0.000) 7.543 4.449 ( -0.000 20.733 0.000) 20.733 5.119 ( -0.000 5.543 0.000) 5.543 5.148 ( 0.000 2.480 -0.000) 2.480 5.437 ( -0.000 -5.717 0.000) 5.717 5.619 ( -0.000 -1.937 0.000) 1.937 5.676 ( -0.000 7.630 -0.000) 7.630 5.764 ( 0.000 -1.660 -0.000) 1.660 5.839 ( 0.000 1.600 0.000) 1.600 6.235 ( -0.000 -1.928 0.000) 1.928 6.260 ( 0.000 -0.764 0.000) 0.764 6.686 ( -0.000 -6.464 0.000) 6.464 6.748 ( 0.000 -10.695 -0.000) 10.695 6.815 ( 0.000 -7.317 0.000) 7.317 7.235 ( 0.000 4.664 0.000) 4.664 7.381 ( 0.000 -12.090 0.000) 12.090 7.660 ( 0.000 0.482 0.000) 0.482 7.685 ( -0.000 -11.623 -0.000) 11.623 8.136 ( 0.000 -10.498 0.000) 10.498 11.627 ( -0.000 21.091 -0.000) 21.091 13.587 ( -0.000 -1.419 0.000) 1.419 13.976 ( 0.000 55.423 -0.000) 55.423 16.001 ( 0.000 -13.754 -0.000) 13.754 17.033 ( 0.000 -25.389 0.000) 25.389 17.839 ( -0.000 -14.598 0.000) 14.598 ======================= Grid point 630 (289/324) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 9.085 0.000 -11.768) 14.866 0.857 ( 3.937 0.000 -13.597) 14.156 1.577 ( -2.554 -0.000 14.341) 14.567 1.989 ( 4.395 0.000 13.221) 13.933 1.992 ( -1.541 -0.000 -25.681) 25.727 2.908 ( -5.751 -0.000 -0.650) 5.787 3.494 ( -2.781 -0.000 -13.071) 13.363 3.761 ( -4.998 -0.000 -5.432) 7.382 3.883 ( 2.771 0.000 7.615) 8.103 3.913 ( -7.043 -0.000 -10.933) 13.005 4.080 ( -0.004 -0.000 -0.003) 0.005 4.115 ( 5.863 0.000 22.388) 23.143 4.379 ( 1.420 0.000 5.785) 5.957 5.085 ( 1.355 0.000 -1.246) 1.841 5.208 ( 11.835 0.000 6.695) 13.597 5.444 ( -0.593 -0.000 0.111) 0.603 5.581 ( -3.152 -0.000 2.099) 3.787 5.604 ( 0.790 0.000 0.112) 0.798 5.767 ( 0.194 0.000 -2.732) 2.739 5.917 ( 0.084 0.000 7.920) 7.920 6.074 ( -8.671 -0.000 1.391) 8.781 6.428 ( 5.654 0.000 -5.619) 7.971 6.810 ( -1.015 -0.000 -0.503) 1.133 6.962 ( -5.502 -0.000 -1.280) 5.649 6.976 ( -1.840 -0.000 -0.021) 1.841 7.081 ( 1.789 0.000 -0.042) 1.789 7.440 ( -5.735 -0.000 -13.517) 14.684 7.800 ( 3.249 0.000 4.712) 5.723 8.007 ( 3.191 0.000 1.069) 3.365 8.595 ( -0.447 -0.000 -3.413) 3.443 11.118 ( 0.229 0.000 0.236) 0.329 12.150 ( -0.018 -0.000 -0.183) 0.183 13.635 ( 1.025 0.000 0.080) 1.028 16.148 ( -2.620 -0.000 -22.520) 22.672 17.675 ( -5.530 -0.000 8.176) 9.871 18.166 ( -1.518 -0.000 1.493) 2.129 ======================= Grid point 631 (290/324) ======================= q-point: ( 0.21 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -0.105 -7.646 -12.068) 14.286 1.247 ( 6.151 -26.858 -8.563) 28.853 1.666 ( -1.292 -10.778 -0.819) 10.886 1.888 ( 1.726 -0.478 -2.284) 2.902 2.319 ( 2.230 -22.358 5.659) 23.170 3.011 ( -5.658 -13.143 -1.038) 14.347 3.568 ( -3.845 -10.673 -14.309) 18.260 3.677 ( -7.806 2.815 -9.417) 12.551 3.852 ( -5.223 -2.462 -8.646) 10.396 3.950 ( 3.234 -2.557 11.249) 11.980 4.163 ( -0.108 -7.850 -0.286) 7.856 4.339 ( 3.516 -8.832 16.932) 19.417 4.402 ( 4.679 -4.159 10.529) 12.250 5.094 ( 0.870 -0.696 -0.646) 1.288 5.261 ( 10.376 1.385 3.461) 11.025 5.496 ( -2.188 -4.262 0.492) 4.816 5.550 ( -1.179 1.773 2.284) 3.123 5.632 ( 0.944 -1.747 0.868) 2.167 5.748 ( 0.097 1.282 -1.722) 2.149 5.922 ( -1.603 0.424 3.289) 3.684 6.039 ( -5.877 1.064 5.838) 8.352 6.419 ( 3.008 1.186 -7.141) 7.839 6.758 ( -1.620 4.564 -2.033) 5.253 6.866 ( -4.604 5.530 0.376) 7.206 6.899 ( -1.202 7.164 -2.211) 7.593 7.132 ( 0.669 -3.727 -0.216) 3.793 7.414 ( -1.949 -2.099 -10.336) 10.725 7.733 ( 2.042 8.338 2.340) 8.898 7.955 ( 3.729 6.788 -1.517) 7.892 8.379 ( 0.148 15.325 -1.994) 15.455 11.268 ( 0.168 -14.713 -0.336) 14.718 12.844 ( -5.144 -60.249 9.386) 61.192 13.628 ( 0.808 1.069 -0.007) 1.340 15.992 ( -4.606 7.471 -25.640) 27.101 17.489 ( -0.651 18.253 7.125) 19.605 18.074 ( -1.468 9.039 2.180) 9.413 ======================= Grid point 632 (291/324) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -5.883 -15.073 -9.108) 18.568 1.583 ( -0.246 -13.443 -16.241) 21.084 1.999 ( -0.180 -9.024 11.731) 14.801 2.114 ( 4.151 -31.965 -2.079) 32.301 2.803 ( 2.365 -23.539 6.715) 24.592 3.294 ( -4.215 -17.082 -2.575) 17.782 3.560 ( -9.100 -0.152 -10.904) 14.204 3.674 ( -5.475 -5.445 -10.319) 12.888 3.987 ( -3.466 -15.421 -9.944) 18.674 4.080 ( 3.698 -5.982 13.908) 15.585 4.315 ( 1.091 -7.383 -1.544) 7.621 4.410 ( 3.234 -3.177 7.744) 8.974 4.779 ( 4.385 -19.585 15.735) 25.503 5.119 ( 0.722 -1.797 -0.355) 1.969 5.275 ( 6.261 1.363 -1.125) 6.506 5.504 ( -2.404 1.421 2.972) 4.078 5.563 ( -1.887 -2.741 -2.206) 3.992 5.659 ( 1.603 0.825 1.781) 2.535 5.731 ( -0.004 -0.115 0.047) 0.124 5.931 ( -0.693 -1.799 1.583) 2.495 6.009 ( -4.104 1.620 7.626) 8.811 6.377 ( 0.606 1.924 -7.161) 7.440 6.622 ( -2.942 7.066 -5.096) 9.195 6.713 ( -1.851 8.672 -0.142) 8.869 6.769 ( -0.742 5.461 1.847) 5.813 7.195 ( 0.971 -1.704 -0.999) 2.201 7.369 ( 1.553 6.221 -6.469) 9.109 7.620 ( 0.899 1.750 -0.914) 2.169 7.802 ( 4.672 10.136 -1.976) 11.334 8.128 ( -1.874 10.907 1.856) 11.222 11.613 ( -0.004 -20.488 -1.561) 20.547 13.596 ( 0.462 1.411 -0.453) 1.552 13.990 ( -8.392 -53.826 15.246) 56.570 15.717 ( -5.672 11.248 -23.072) 26.287 17.108 ( 4.396 22.972 3.664) 23.674 17.852 ( -0.947 13.863 3.057) 14.228 ======================= Grid point 633 (292/324) ======================= q-point: ( 0.36 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -9.815 -18.898 -6.741) 22.337 1.821 ( 0.781 -17.271 -15.392) 23.148 2.246 ( -0.467 -12.570 16.501) 20.749 2.709 ( 1.907 -27.493 1.799) 27.618 3.185 ( 0.064 -13.430 1.073) 13.473 3.371 ( -8.913 -1.410 -13.175) 15.969 3.743 ( -2.803 -11.352 -3.124) 12.103 3.758 ( -2.117 -16.176 1.807) 16.414 4.170 ( -0.533 -5.891 -0.166) 5.917 4.302 ( 3.525 -11.020 3.307) 12.033 4.500 ( 0.164 -11.114 -1.890) 11.275 4.548 ( 1.392 -9.790 2.691) 10.248 5.108 ( 3.433 -5.464 0.737) 6.495 5.159 ( 1.715 -1.623 -0.402) 2.395 5.310 ( 2.838 -5.834 4.574) 7.938 5.496 ( -2.338 -1.301 3.471) 4.383 5.604 ( -2.995 -4.606 -4.764) 7.272 5.635 ( 2.209 2.218 1.742) 3.582 5.742 ( -0.153 -0.088 4.728) 4.731 5.954 ( 0.599 1.342 2.292) 2.723 6.018 ( -2.112 -3.461 4.363) 5.956 6.321 ( -1.234 1.850 -5.377) 5.818 6.468 ( -2.197 6.127 -4.115) 7.701 6.546 ( -1.272 8.046 0.470) 8.159 6.682 ( 0.269 4.585 3.672) 5.880 7.111 ( 3.458 10.595 -4.225) 11.919 7.261 ( -0.576 3.590 -1.442) 3.911 7.621 ( -1.286 1.165 -4.571) 4.889 7.660 ( 6.697 4.217 1.667) 8.088 7.962 ( -2.894 5.661 2.249) 6.743 11.978 ( -0.121 -17.797 -1.943) 17.903 13.562 ( 0.211 1.896 -0.439) 1.957 14.795 ( -5.320 -29.658 9.311) 31.537 15.443 ( -5.913 7.425 -14.912) 17.676 16.716 ( 4.723 21.130 1.547) 21.706 17.584 ( -0.434 14.624 3.121) 14.960 ======================= Grid point 634 (293/324) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -10.914 -20.341 -4.780) 23.573 2.161 ( 1.620 -21.243 -8.620) 22.982 2.531 ( 0.582 -12.508 14.423) 19.100 3.128 ( -1.162 -13.700 3.508) 14.190 3.232 ( -4.731 -1.180 -6.779) 8.350 3.475 ( -4.730 -12.165 -6.814) 14.724 3.910 ( -0.365 -9.699 5.374) 11.094 4.108 ( -0.524 -15.026 -1.649) 15.125 4.260 ( 1.406 -5.438 -0.362) 5.628 4.517 ( 4.677 -8.223 2.373) 9.753 4.611 ( 0.067 -3.944 3.500) 5.274 4.778 ( -1.638 -8.866 -7.446) 11.693 5.080 ( 1.970 3.907 -6.605) 7.923 5.197 ( 2.132 -1.619 0.323) 2.696 5.435 ( -0.411 -3.279 1.170) 3.506 5.524 ( -2.461 -0.773 3.678) 4.492 5.632 ( 1.887 -1.254 1.248) 2.586 5.741 ( -0.986 -8.631 -1.522) 8.820 5.746 ( 0.799 -0.667 6.279) 6.364 5.940 ( 0.556 0.594 1.163) 1.419 6.090 ( -0.329 -2.812 3.004) 4.128 6.267 ( -1.774 2.101 -3.750) 4.651 6.348 ( -1.308 5.524 0.537) 5.702 6.425 ( -0.673 3.503 0.046) 3.567 6.606 ( 1.554 5.283 2.369) 5.994 6.925 ( 2.744 8.398 -1.305) 8.931 7.146 ( -0.700 7.331 -1.357) 7.488 7.580 ( 2.023 0.836 0.344) 2.215 7.680 ( 0.166 -2.869 -2.427) 3.761 7.910 ( -0.791 -0.003 1.615) 1.798 12.248 ( -0.165 -11.032 -0.973) 11.076 13.528 ( 0.114 1.567 -0.432) 1.629 15.012 ( -2.849 1.940 -8.621) 9.285 15.448 ( -4.194 -10.648 3.829) 12.068 16.373 ( 2.855 17.286 0.807) 17.539 17.326 ( -0.164 13.142 2.228) 13.331 ======================= Grid point 635 (294/324) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -9.023 -19.815 -2.812) 21.953 2.566 ( 2.281 -21.456 -2.282) 21.697 2.771 ( 1.040 -8.434 8.955) 12.345 3.145 ( -4.483 -0.121 -7.345) 8.605 3.388 ( -0.159 -8.256 7.037) 10.849 3.657 ( -3.318 -9.799 -1.866) 10.513 4.114 ( -0.387 -10.124 4.035) 10.906 4.209 ( -0.751 -0.056 -6.607) 6.650 4.432 ( 0.338 -7.785 -1.006) 7.857 4.581 ( 1.210 1.006 2.007) 2.550 4.774 ( 1.435 -10.098 1.177) 10.267 4.791 ( 2.336 2.709 -2.933) 4.626 4.982 ( 0.505 5.522 -5.232) 7.624 5.262 ( 0.558 -4.253 -1.608) 4.581 5.450 ( -3.965 -0.020 -1.640) 4.291 5.545 ( -0.526 -1.553 1.416) 2.167 5.660 ( 3.473 0.901 2.455) 4.347 5.737 ( -0.188 0.109 2.631) 2.640 5.925 ( 0.888 0.825 -0.181) 1.225 5.941 ( 1.136 -7.649 2.108) 8.015 6.118 ( -0.073 0.588 1.344) 1.469 6.189 ( -2.405 4.138 -1.587) 5.043 6.277 ( 0.019 1.852 2.378) 3.014 6.402 ( 0.362 0.142 1.476) 1.526 6.518 ( 1.188 3.498 -1.373) 3.941 6.810 ( 0.216 5.403 0.035) 5.407 7.020 ( 0.494 4.749 0.019) 4.774 7.617 ( 0.590 -3.643 1.128) 3.859 7.745 ( -0.414 -4.195 -1.443) 4.456 7.934 ( 0.469 -1.855 0.246) 1.930 12.390 ( -0.167 -4.554 0.328) 4.569 13.503 ( 0.086 1.069 -0.341) 1.126 14.912 ( -2.506 2.452 -8.203) 8.921 15.617 ( -1.097 -6.007 4.534) 7.606 16.102 ( 0.900 12.355 0.558) 12.400 17.105 ( -0.030 10.595 0.989) 10.642 ======================= Grid point 636 (295/324) ======================= q-point: ( 0.57 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -4.762 -16.064 -0.923) 16.780 2.893 ( -0.164 -3.534 1.280) 3.762 2.927 ( 2.698 -13.736 1.589) 14.088 3.121 ( -1.560 0.577 -1.246) 2.078 3.532 ( 0.372 -4.981 4.526) 6.740 3.804 ( -1.997 -7.516 0.996) 7.840 4.137 ( -1.007 3.662 -5.719) 6.865 4.283 ( -0.859 -6.223 -0.299) 6.289 4.466 ( -0.731 1.889 -1.556) 2.555 4.558 ( -0.338 0.610 0.142) 0.711 4.794 ( 2.419 -1.042 0.354) 2.657 4.866 ( 4.444 5.472 -1.371) 7.181 4.947 ( -1.955 -6.761 -0.009) 7.038 5.317 ( -3.464 -2.395 -3.403) 5.415 5.433 ( -2.129 -1.635 -1.495) 3.072 5.574 ( -0.598 -1.084 0.448) 1.316 5.636 ( 4.760 4.338 5.081) 8.203 5.754 ( 3.629 0.354 2.062) 4.189 5.882 ( -1.932 1.609 -2.021) 3.225 6.048 ( 0.013 -0.983 0.365) 1.048 6.099 ( -2.256 3.590 -1.952) 4.667 6.109 ( 1.181 -1.161 0.894) 1.882 6.266 ( 0.868 0.851 3.702) 3.896 6.385 ( 3.212 2.672 1.888) 4.586 6.529 ( -2.745 -4.641 -0.522) 5.417 6.700 ( -1.530 5.307 -2.639) 6.121 6.976 ( 0.998 1.184 -0.002) 1.548 7.700 ( -0.309 -4.257 0.498) 4.297 7.807 ( 1.704 -1.408 2.323) 3.207 7.973 ( -0.800 -2.196 -2.010) 3.083 12.437 ( -0.104 -0.807 0.582) 1.000 13.487 ( 0.058 0.513 -0.166) 0.542 14.877 ( -1.392 -1.499 -4.181) 4.654 15.692 ( 0.656 -1.425 2.508) 2.958 15.924 ( -0.620 6.573 0.154) 6.604 16.943 ( 0.051 6.330 0.171) 6.332 ======================= Grid point 637 (296/324) ======================= q-point: (-0.36 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 0.065 -5.389 0.062) 5.390 2.942 ( -1.048 -1.157 -0.518) 1.644 3.036 ( 0.986 4.496 2.384) 5.184 3.100 ( 0.657 -0.711 -1.096) 1.463 3.563 ( -0.153 3.412 -0.080) 3.417 3.908 ( -0.275 -2.619 0.316) 2.652 4.126 ( 0.093 -4.122 0.550) 4.159 4.327 ( 0.297 -1.365 -1.590) 2.117 4.427 ( -0.541 -0.429 0.114) 0.700 4.629 ( -2.073 -7.764 -0.829) 8.079 4.741 ( 1.970 5.511 0.439) 5.869 4.819 ( 2.954 5.053 0.046) 5.853 5.015 ( -4.205 -2.666 -0.864) 5.054 5.335 ( -1.972 -2.096 -2.340) 3.709 5.471 ( 0.189 -1.766 0.094) 1.779 5.555 ( 1.380 4.206 6.007) 7.462 5.604 ( 2.298 0.747 -0.173) 2.422 5.730 ( 2.491 4.364 -0.456) 5.046 5.872 ( -2.220 -2.377 -2.200) 3.927 6.013 ( -3.631 2.680 -2.179) 5.012 6.055 ( 0.482 -0.953 -0.019) 1.068 6.151 ( 1.106 -0.997 -0.825) 1.702 6.267 ( 2.483 1.024 6.130) 6.692 6.364 ( 2.324 1.057 0.540) 2.609 6.593 ( -2.146 2.100 -1.527) 3.369 6.632 ( -2.506 -5.388 -1.461) 6.120 6.944 ( 0.483 3.072 -1.424) 3.420 7.767 ( 0.586 -2.179 0.011) 2.256 7.815 ( 2.012 1.723 3.295) 4.228 7.981 ( -1.988 0.440 -2.242) 3.029 12.439 ( 0.015 0.343 -0.038) 0.346 13.483 ( 0.015 -0.048 0.006) 0.051 14.927 ( -0.164 -4.573 0.039) 4.576 15.700 ( 1.518 1.299 0.621) 2.092 15.849 ( -1.484 0.893 -0.627) 1.842 16.882 ( 0.091 -0.012 -0.017) 0.093 ======================= Grid point 638 (297/324) ======================= q-point: (-0.29 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 2.053 6.573 0.573) 6.910 2.813 ( -0.854 12.957 -0.550) 12.997 2.875 ( 0.127 12.032 -0.532) 12.044 3.216 ( 1.198 -9.940 0.637) 10.032 3.430 ( -0.506 9.084 -1.380) 9.202 3.897 ( 1.630 2.981 -0.316) 3.412 4.146 ( -0.545 3.619 -0.542) 3.700 4.401 ( 0.107 -5.315 0.769) 5.372 4.526 ( 0.658 -3.680 0.777) 3.818 4.657 ( 3.273 0.219 5.923) 6.771 4.672 ( -0.895 9.403 -0.414) 9.454 4.789 ( -2.859 -9.423 -3.775) 10.546 4.999 ( -1.217 3.984 -0.687) 4.222 5.329 ( 1.073 2.161 0.995) 2.610 5.479 ( -0.083 1.713 2.326) 2.890 5.526 ( 1.083 0.118 4.589) 4.717 5.593 ( -1.758 2.678 -1.308) 3.460 5.635 ( -0.784 2.651 -7.265) 7.773 5.910 ( -0.804 -2.073 -0.689) 2.328 5.954 ( -1.638 1.823 -0.354) 2.476 6.106 ( 1.036 -3.207 1.000) 3.515 6.145 ( -0.673 -0.009 -2.128) 2.232 6.298 ( 4.060 -0.906 5.439) 6.848 6.369 ( 1.248 -0.708 -1.555) 2.116 6.561 ( -2.539 -1.498 -0.096) 2.950 6.743 ( -0.712 -5.221 0.301) 5.278 6.853 ( -0.732 4.528 -3.034) 5.500 7.727 ( 2.196 6.087 1.564) 6.657 7.843 ( -0.104 -2.623 0.181) 2.631 7.921 ( -1.640 4.396 -0.914) 4.780 12.428 ( 0.091 0.853 -0.332) 0.920 13.489 ( -0.032 -0.569 0.091) 0.577 15.041 ( 0.678 -6.772 2.967) 7.424 15.659 ( 1.303 3.853 -1.289) 4.267 15.877 ( -1.397 -4.926 -0.831) 5.187 16.941 ( 0.099 -5.907 -0.103) 5.909 ======================= Grid point 639 (298/324) ======================= q-point: (-0.21 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 1.722 13.016 1.365) 13.200 2.530 ( -0.518 15.316 0.306) 15.328 2.601 ( -0.233 16.154 -2.009) 16.280 3.223 ( -0.243 12.287 -1.762) 12.415 3.409 ( 1.112 -7.967 1.576) 8.197 3.843 ( 1.694 3.202 0.758) 3.701 4.034 ( -0.551 6.653 -1.386) 6.818 4.419 ( 0.380 8.769 0.473) 8.790 4.444 ( 2.043 10.548 0.758) 10.771 4.489 ( -2.791 0.377 -1.337) 3.117 4.740 ( 1.830 12.600 5.783) 13.984 4.895 ( 0.860 -7.018 -0.129) 7.072 4.963 ( -2.402 -7.849 -2.691) 8.638 5.297 ( 3.505 3.656 1.572) 5.303 5.389 ( -5.370 7.433 -1.332) 9.266 5.507 ( -0.040 1.642 -0.733) 1.798 5.543 ( 0.111 2.487 3.810) 4.551 5.611 ( -0.675 -2.094 -5.950) 6.344 5.918 ( 0.177 1.055 2.111) 2.366 5.931 ( -0.279 0.559 -1.411) 1.543 6.112 ( 0.159 0.103 -0.387) 0.431 6.235 ( 0.269 -7.376 -0.237) 7.385 6.343 ( 2.225 -0.272 1.603) 2.755 6.389 ( 0.034 -1.842 -1.222) 2.211 6.632 ( 1.610 -1.284 6.514) 6.832 6.688 ( -2.692 -0.155 -6.029) 6.605 6.930 ( -0.766 -9.818 -0.684) 9.871 7.605 ( 0.520 7.221 0.275) 7.245 7.816 ( -0.458 5.408 0.239) 5.433 7.887 ( 0.101 -1.911 -0.127) 1.918 12.392 ( 0.066 3.600 -0.061) 3.601 13.504 ( -0.044 -1.036 0.066) 1.039 15.205 ( 0.777 -9.432 3.924) 10.245 15.550 ( 0.751 8.096 -2.726) 8.576 16.016 ( -0.919 -10.424 -0.444) 10.474 17.091 ( 0.067 -9.661 -0.236) 9.664 ======================= Grid point 640 (299/324) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -0.000 16.610 0.000) 16.610 2.259 ( 0.000 13.123 0.000) 13.123 2.276 ( -0.000 17.336 0.000) 17.336 2.940 ( -0.000 17.859 0.000) 17.859 3.472 ( 0.000 3.797 -0.000) 3.797 3.801 ( -0.000 1.957 -0.000) 1.957 3.912 ( 0.000 5.481 0.000) 5.481 4.187 ( -0.000 14.123 0.000) 14.123 4.269 ( 0.000 6.623 0.000) 6.623 4.402 ( -0.000 20.130 0.000) 20.130 4.474 ( 0.000 2.291 0.000) 2.291 4.936 ( 0.000 8.261 -0.000) 8.261 5.107 ( -0.000 -7.112 0.000) 7.112 5.174 ( -0.000 11.319 0.000) 11.319 5.236 ( -0.000 3.778 0.000) 3.778 5.428 ( 0.000 7.007 0.000) 7.007 5.527 ( -0.000 -1.958 0.000) 1.958 5.673 ( -0.000 -3.577 0.000) 3.577 5.891 ( -0.000 3.178 0.000) 3.178 5.903 ( 0.000 1.280 0.000) 1.280 6.136 ( -0.000 -2.519 0.000) 2.519 6.307 ( 0.000 3.570 0.000) 3.570 6.390 ( 0.000 -8.448 0.000) 8.448 6.447 ( -0.000 -4.443 -0.000) 4.443 6.600 ( -0.000 -1.342 0.000) 1.342 6.868 ( 0.000 -13.126 0.000) 13.126 7.141 ( 0.000 -12.344 0.000) 12.344 7.478 ( -0.000 5.923 0.000) 5.923 7.732 ( 0.000 3.260 0.000) 3.260 7.923 ( 0.000 -2.187 0.000) 2.187 12.268 ( -0.000 10.083 0.000) 10.083 13.528 ( -0.000 -1.427 0.000) 1.427 15.313 ( 0.000 17.816 -0.000) 17.816 15.430 ( -0.000 -13.472 0.000) 13.472 16.256 ( 0.000 -15.345 0.000) 15.345 17.299 ( -0.000 -12.445 0.000) 12.445 ======================= Grid point 646 (300/324) ======================= q-point: ( 0.21 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 6.743 0.000 -8.890) 11.158 0.878 ( 11.773 0.000 -12.294) 17.022 1.548 ( -4.584 -0.000 -16.389) 17.018 1.900 ( -0.753 -0.000 -0.932) 1.198 2.116 ( 5.674 0.000 16.262) 17.223 2.843 ( -7.294 -0.000 -0.925) 7.352 3.393 ( -3.216 -0.000 -14.240) 14.599 3.650 ( -9.427 -0.000 -12.209) 15.425 3.791 ( -5.483 -0.000 -9.565) 11.025 3.946 ( 2.604 0.000 6.404) 6.913 4.080 ( -0.004 -0.000 -0.003) 0.005 4.301 ( 6.007 0.000 24.918) 25.632 4.442 ( 3.151 0.000 8.377) 8.950 5.095 ( 1.251 0.000 0.685) 1.426 5.359 ( 13.713 0.000 4.958) 14.582 5.439 ( -0.672 -0.000 0.137) 0.686 5.563 ( -3.536 -0.000 1.952) 4.039 5.613 ( 0.913 0.000 0.136) 0.923 5.762 ( 0.244 0.000 0.285) 0.375 5.915 ( -4.499 -0.000 -0.881) 4.584 6.057 ( -2.128 -0.000 10.458) 10.672 6.418 ( 1.031 0.000 -8.508) 8.570 6.791 ( -2.241 -0.000 -2.330) 3.232 6.903 ( -5.536 -0.000 -2.459) 6.057 6.959 ( -1.767 -0.000 -0.030) 1.767 7.097 ( 1.699 0.000 -0.050) 1.700 7.345 ( -0.139 -0.000 -9.198) 9.199 7.834 ( -1.395 -0.000 3.478) 3.748 8.030 ( 3.296 0.000 -3.531) 4.830 8.572 ( 0.145 0.000 -4.204) 4.207 11.122 ( 0.289 0.000 0.298) 0.415 12.149 ( -0.024 -0.000 -0.229) 0.231 13.643 ( 0.775 0.000 -0.434) 0.888 15.964 ( -5.271 -0.000 -30.635) 31.085 17.696 ( -1.455 -0.000 11.558) 11.649 18.160 ( -1.875 -0.000 1.990) 2.734 ======================= Grid point 647 (301/324) ======================= q-point: ( 0.29 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 3.960 -3.688 -8.801) 10.332 1.255 ( 5.942 -21.057 -10.215) 24.146 1.574 ( -0.650 -16.095 -24.261) 29.122 1.929 ( -1.652 -3.277 14.403) 14.863 2.410 ( 4.922 -20.562 13.944) 25.327 2.951 ( -5.915 -14.075 -1.199) 15.315 3.451 ( -4.477 -10.085 -15.062) 18.671 3.527 ( -10.373 3.274 -14.017) 17.742 3.768 ( -3.282 -3.492 -7.079) 8.549 4.036 ( 2.400 -4.982 9.668) 11.137 4.159 ( -0.222 -7.474 -0.703) 7.510 4.445 ( 3.048 0.694 11.991) 12.392 4.524 ( 4.625 -11.557 16.497) 20.667 5.106 ( 1.500 -0.358 1.259) 1.991 5.363 ( 8.629 4.045 0.905) 9.573 5.483 ( -1.254 -2.261 0.807) 2.708 5.536 ( -2.990 1.198 -1.180) 3.431 5.659 ( 3.049 -3.071 2.187) 4.849 5.749 ( 1.141 1.636 1.030) 2.245 5.893 ( -4.239 -0.754 0.092) 4.306 6.062 ( -1.249 1.840 10.601) 10.831 6.385 ( -0.480 1.138 -8.452) 8.541 6.713 ( -3.571 5.361 -6.193) 8.936 6.826 ( -4.538 4.221 -0.125) 6.199 6.881 ( -0.611 6.354 -0.831) 6.437 7.142 ( 1.575 -3.396 0.058) 3.744 7.374 ( 3.090 -2.775 -5.274) 6.713 7.742 ( -1.501 8.041 0.073) 8.181 7.970 ( 3.258 6.250 -4.805) 8.531 8.372 ( 0.514 14.675 -1.751) 14.788 11.267 ( 0.168 -14.287 -0.379) 14.293 12.842 ( -6.507 -60.448 9.793) 61.581 13.632 ( 0.360 1.110 -0.597) 1.311 15.792 ( -5.401 6.536 -29.802) 30.984 17.543 ( 2.724 17.748 8.838) 20.013 18.072 ( -1.585 8.575 2.482) 9.066 ======================= Grid point 648 (302/324) ======================= q-point: ( 0.36 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -3.914 -11.875 -6.852) 14.258 1.484 ( 0.896 -13.186 -21.191) 24.974 2.046 ( -0.705 -18.831 6.954) 20.086 2.139 ( 0.547 -25.249 4.029) 25.574 2.886 ( 4.299 -20.751 11.964) 24.336 3.239 ( -4.163 -13.310 -4.391) 14.621 3.409 ( -8.672 -5.138 -12.169) 15.801 3.585 ( -3.704 -8.983 -8.193) 12.710 3.905 ( -2.977 -14.565 -9.429) 17.605 4.178 ( 2.198 -5.832 11.707) 13.263 4.312 ( 0.394 -8.382 -1.817) 8.586 4.480 ( 2.468 -1.839 8.119) 8.683 4.885 ( 2.324 -17.979 11.820) 21.642 5.134 ( 1.856 -1.457 1.504) 2.798 5.321 ( 5.313 3.117 -1.201) 6.276 5.481 ( -3.718 0.980 -1.159) 4.016 5.515 ( -3.316 -1.917 -4.972) 6.277 5.711 ( 4.745 2.273 4.990) 7.251 5.741 ( 0.570 -1.265 2.658) 2.998 5.930 ( -0.489 -3.793 1.757) 4.209 6.032 ( -1.721 3.138 8.230) 8.974 6.330 ( -1.982 1.713 -7.051) 7.522 6.560 ( -3.275 6.411 -6.573) 9.748 6.698 ( -1.746 7.777 0.857) 8.016 6.770 ( -0.770 4.572 0.553) 4.670 7.206 ( 1.915 -1.339 -0.187) 2.345 7.361 ( 3.623 5.890 -4.674) 8.347 7.613 ( -0.891 2.882 -1.723) 3.474 7.830 ( 4.424 8.090 -3.127) 9.737 8.119 ( -2.162 11.513 1.782) 11.849 11.604 ( -0.030 -20.146 -1.558) 20.206 13.596 ( 0.244 1.446 -0.742) 1.643 13.993 ( -9.190 -54.530 15.698) 57.484 15.536 ( -5.028 9.463 -24.361) 26.614 17.174 ( 5.180 23.554 3.911) 24.432 17.860 ( -0.903 13.440 3.020) 13.805 ======================= Grid point 649 (303/324) ======================= q-point: ( 0.43 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -9.209 -17.689 -5.177) 20.604 1.747 ( 1.046 -19.431 -14.746) 24.415 2.330 ( -0.840 -13.027 16.889) 21.345 2.717 ( -0.245 -28.788 -1.194) 28.813 3.178 ( -3.980 -1.581 -7.009) 8.214 3.240 ( -3.863 -8.017 -3.908) 9.720 3.728 ( 0.682 -19.281 -0.404) 19.297 3.757 ( -0.663 -13.089 3.543) 13.577 4.142 ( -1.114 -10.905 -6.789) 12.894 4.355 ( 1.981 -9.910 6.378) 11.950 4.486 ( 0.096 -11.197 -2.787) 11.539 4.573 ( 0.102 -5.010 3.542) 6.137 5.130 ( 2.800 -1.218 -2.177) 3.750 5.179 ( 1.947 -1.853 0.942) 2.848 5.356 ( 1.942 -5.482 3.566) 6.822 5.481 ( -3.693 -4.496 1.746) 6.075 5.524 ( -5.142 -2.991 -4.763) 7.620 5.694 ( 5.260 1.720 2.924) 6.259 5.778 ( 1.100 -0.216 5.669) 5.779 5.968 ( 0.259 1.946 1.199) 2.300 6.033 ( -0.578 -3.640 5.201) 6.375 6.271 ( -3.042 1.276 -5.794) 6.667 6.431 ( -1.391 4.512 -3.078) 5.636 6.541 ( -0.709 8.155 1.307) 8.289 6.698 ( -0.280 3.337 1.813) 3.807 7.125 ( 3.802 10.429 -3.130) 11.533 7.256 ( 0.659 4.880 -0.491) 4.949 7.574 ( -2.840 -0.105 -5.153) 5.884 7.731 ( 6.724 5.273 1.084) 8.613 7.945 ( -3.341 5.131 2.103) 6.474 11.967 ( -0.117 -17.866 -1.745) 17.951 13.560 ( 0.054 1.876 -0.559) 1.958 14.806 ( -4.267 -28.385 11.475) 30.913 15.305 ( -5.485 3.849 -16.453) 17.765 16.765 ( 4.072 22.166 1.302) 22.575 17.596 ( -0.378 14.570 2.743) 14.830 ======================= Grid point 650 (304/324) ======================= q-point: ( 0.50 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -9.717 -20.852 -3.493) 23.269 2.132 ( 1.386 -23.331 -6.986) 24.394 2.616 ( 0.995 -12.016 14.549) 18.895 3.074 ( -5.358 -3.041 -9.309) 11.163 3.193 ( -1.738 -14.541 0.849) 14.669 3.411 ( -2.971 -11.213 -3.969) 12.260 3.958 ( 2.575 -8.949 8.227) 12.426 4.095 ( -0.438 -13.661 -1.291) 13.729 4.272 ( 1.865 -6.407 -1.713) 6.889 4.568 ( 3.478 -7.991 2.701) 9.124 4.615 ( -2.122 -3.719 1.417) 4.510 4.724 ( -1.217 -9.692 -6.959) 11.994 5.073 ( 3.056 4.964 -4.061) 7.104 5.215 ( 1.587 -1.155 -1.059) 2.230 5.424 ( -2.674 -1.317 0.680) 3.057 5.515 ( -1.595 -1.387 1.095) 2.380 5.624 ( -4.735 -5.120 2.104) 7.284 5.757 ( 4.792 -4.032 -0.397) 6.275 5.787 ( 1.375 -1.916 4.098) 4.728 5.954 ( 0.774 0.043 1.753) 1.917 6.105 ( 0.039 -2.279 2.936) 3.717 6.226 ( -2.416 1.241 -4.312) 5.096 6.343 ( -0.842 4.687 1.119) 4.892 6.421 ( -0.363 3.411 0.452) 3.460 6.635 ( 2.039 5.066 2.042) 5.830 6.942 ( 2.178 8.574 -0.883) 8.890 7.132 ( -0.687 7.067 -1.298) 7.218 7.575 ( -1.229 -1.624 -2.275) 3.053 7.688 ( 2.469 0.351 0.194) 2.502 7.912 ( -0.610 -0.771 1.306) 1.634 12.242 ( -0.118 -11.374 -0.766) 11.401 13.527 ( 0.040 1.533 -0.402) 1.585 14.950 ( -1.890 4.307 -6.066) 7.676 15.429 ( -3.442 -14.578 2.422) 15.173 16.399 ( 2.013 18.143 0.492) 18.261 17.336 ( -0.123 13.341 1.750) 13.455 ======================= Grid point 651 (305/324) ======================= q-point: ( 0.57 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -6.754 -21.404 -1.832) 22.519 2.573 ( 1.620 -23.038 -1.649) 23.154 2.829 ( 1.303 -5.653 8.555) 10.337 3.068 ( -3.588 -3.428 -7.438) 8.941 3.414 ( -0.825 -8.523 4.331) 9.596 3.624 ( -2.067 -11.778 -1.272) 12.025 4.135 ( 1.156 -5.728 2.082) 6.204 4.185 ( 0.059 -0.524 -0.929) 1.069 4.425 ( 0.031 -6.470 -2.375) 6.893 4.590 ( -0.934 1.891 0.398) 2.147 4.754 ( 0.465 -6.040 -1.735) 6.301 4.832 ( 1.459 -4.533 0.095) 4.763 4.983 ( 4.901 5.166 -1.415) 7.260 5.243 ( -2.259 -2.429 -3.378) 4.734 5.401 ( -4.320 0.548 -0.731) 4.416 5.553 ( 0.727 -1.635 0.867) 1.989 5.662 ( -3.785 -1.721 1.913) 4.577 5.782 ( 5.649 -0.093 0.953) 5.729 5.940 ( 1.615 0.527 1.432) 2.222 5.963 ( 1.688 -5.985 1.860) 6.491 6.122 ( -1.172 1.085 0.507) 1.676 6.154 ( -2.357 3.581 -1.988) 4.726 6.283 ( -0.791 0.998 1.396) 1.889 6.410 ( 0.170 -1.478 0.720) 1.653 6.535 ( 2.412 6.084 0.623) 6.574 6.810 ( -0.122 6.782 -0.254) 6.788 7.019 ( -0.157 3.723 -0.592) 3.773 7.619 ( -0.519 -3.875 -0.201) 3.915 7.747 ( 1.166 -4.802 0.600) 4.978 7.935 ( -0.127 -1.226 -0.297) 1.268 12.391 ( -0.100 -4.781 0.241) 4.788 13.502 ( 0.046 1.034 -0.248) 1.064 14.856 ( -1.629 1.828 -5.235) 5.779 15.629 ( -0.654 -6.713 2.858) 7.326 16.110 ( 0.390 13.014 0.228) 13.022 17.109 ( 0.001 10.805 0.676) 10.826 ======================= Grid point 652 (306/324) ======================= q-point: ( 0.64 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -2.762 -18.079 -0.510) 18.296 2.898 ( -0.081 -1.780 0.745) 1.931 2.955 ( 1.622 -14.558 0.964) 14.680 3.104 ( -0.894 -0.973 -0.709) 1.500 3.554 ( 0.127 -4.664 2.612) 5.347 3.797 ( -0.848 -7.702 1.146) 7.833 4.098 ( -0.839 2.365 -4.569) 5.213 4.283 ( -0.148 -4.335 1.168) 4.492 4.453 ( -0.332 1.486 -1.359) 2.041 4.551 ( -0.716 0.526 -0.510) 1.025 4.811 ( 1.255 0.723 0.090) 1.451 4.890 ( 1.106 -1.422 -1.670) 2.456 4.956 ( 2.900 0.739 2.728) 4.049 5.254 ( -5.025 -2.719 -3.744) 6.831 5.414 ( -0.895 -3.248 -0.662) 3.433 5.574 ( 0.021 -0.268 0.434) 0.511 5.683 ( 0.617 -0.146 3.182) 3.244 5.805 ( 4.341 1.407 0.630) 4.607 5.873 ( 1.722 4.580 0.773) 4.954 6.043 ( -4.203 3.318 -2.477) 5.900 6.050 ( -1.143 -0.645 -0.191) 1.326 6.133 ( 1.853 -0.878 0.140) 2.056 6.292 ( 0.474 -0.821 3.062) 3.205 6.424 ( 3.066 3.309 1.363) 4.712 6.503 ( -2.378 -4.675 -0.377) 5.258 6.674 ( -1.283 6.538 -1.891) 6.926 6.980 ( 0.378 1.174 -0.457) 1.315 7.696 ( -0.449 -4.246 -0.177) 4.273 7.846 ( 2.758 -2.751 3.897) 5.510 7.946 ( -1.866 -1.019 -3.076) 3.740 12.438 ( -0.052 -0.773 0.321) 0.838 13.487 ( 0.033 0.483 -0.092) 0.493 14.850 ( -0.772 -2.643 -2.234) 3.546 15.709 ( 0.615 -1.669 1.479) 2.313 15.918 ( -0.623 7.199 -0.085) 7.226 16.944 ( 0.048 6.407 0.092) 6.408 ======================= Grid point 653 (307/324) ======================= q-point: (-0.29 0.21 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 0.027 -6.771 0.027) 6.772 2.934 ( -0.363 -1.135 -0.154) 1.201 3.051 ( 0.192 5.919 1.098) 6.023 3.101 ( 0.448 -1.522 -0.595) 1.694 3.561 ( -0.067 4.365 -0.037) 4.366 3.908 ( -0.129 -3.055 0.133) 3.060 4.129 ( 0.056 -5.307 0.289) 5.315 4.322 ( 0.134 -2.079 -0.735) 2.209 4.424 ( -0.278 -0.963 0.024) 1.002 4.611 ( -0.792 -6.814 -0.403) 6.872 4.754 ( 0.477 4.598 0.157) 4.625 4.848 ( 2.367 7.921 0.149) 8.268 4.979 ( -2.433 -3.249 -0.213) 4.064 5.310 ( -0.932 -4.151 -1.179) 4.415 5.471 ( -0.062 -2.388 -0.059) 2.389 5.570 ( -0.493 0.530 1.072) 1.294 5.658 ( 4.037 5.120 4.563) 7.958 5.725 ( -1.094 6.726 -3.633) 7.722 5.858 ( 0.211 -1.945 -0.084) 1.958 5.972 ( -2.352 1.439 -1.311) 3.053 6.058 ( 0.198 -1.314 0.029) 1.329 6.152 ( 0.179 -0.075 -0.475) 0.513 6.320 ( 1.920 -0.455 3.929) 4.397 6.380 ( 0.885 1.898 -0.493) 2.151 6.562 ( -1.600 3.422 -1.679) 4.133 6.612 ( -0.964 -6.840 -0.195) 6.911 6.942 ( 0.201 3.543 -0.616) 3.602 7.772 ( 0.261 -3.782 0.031) 3.791 7.849 ( 1.432 4.134 2.121) 4.862 7.952 ( -1.424 -0.391 -1.688) 2.243 12.439 ( 0.007 0.428 -0.017) 0.428 13.483 ( 0.006 -0.059 0.003) 0.059 14.927 ( -0.073 -5.680 0.017) 5.681 15.715 ( 0.836 1.538 0.344) 1.784 15.835 ( -0.821 1.174 -0.347) 1.474 16.882 ( 0.040 -0.016 -0.008) 0.044 ======================= Grid point 654 (308/324) ======================= q-point: (-0.21 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -0.000 6.055 0.000) 6.055 2.807 ( -0.000 13.066 0.000) 13.066 2.874 ( -0.000 12.504 0.000) 12.504 3.224 ( -0.000 -10.606 0.000) 10.606 3.424 ( -0.000 9.349 0.000) 9.349 3.904 ( -0.000 2.496 0.000) 2.496 4.141 ( -0.000 4.142 0.000) 4.142 4.403 ( 0.000 -5.386 0.000) 5.386 4.532 ( 0.000 -2.687 0.000) 2.687 4.667 ( -0.000 9.356 0.000) 9.356 4.701 ( 0.000 -2.722 0.000) 2.722 4.753 ( 0.000 -7.714 0.000) 7.714 4.991 ( -0.000 3.109 0.000) 3.109 5.338 ( -0.000 1.027 0.000) 1.027 5.487 ( -0.000 1.817 -0.000) 1.817 5.565 ( -0.000 2.647 -0.000) 2.647 5.580 ( 0.000 2.533 -0.000) 2.533 5.589 ( -0.000 3.357 0.000) 3.357 5.906 ( -0.000 -2.359 0.000) 2.359 5.945 ( -0.000 1.179 0.000) 1.179 6.117 ( 0.000 -4.861 0.000) 4.861 6.133 ( -0.000 1.638 -0.000) 1.638 6.343 ( -0.000 -0.604 0.000) 0.604 6.363 ( 0.000 -0.281 0.000) 0.281 6.545 ( -0.000 -2.617 0.000) 2.617 6.740 ( 0.000 -5.860 0.000) 5.860 6.841 ( -0.000 5.697 0.000) 5.697 7.744 ( -0.000 6.871 0.000) 6.871 7.840 ( 0.000 -3.080 0.000) 3.080 7.911 ( -0.000 4.102 0.000) 4.102 12.428 ( 0.000 0.848 0.000) 0.848 13.489 ( -0.000 -0.566 0.000) 0.566 15.052 ( -0.000 -7.466 0.000) 7.466 15.662 ( 0.000 4.270 0.000) 4.270 15.868 ( -0.000 -4.918 -0.000) 4.918 16.941 ( -0.000 -5.883 0.000) 5.883 ======================= Grid point 662 (309/324) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 8.579 0.000 -3.356) 9.212 0.929 ( 12.179 0.000 -10.189) 15.879 1.361 ( -2.764 -0.000 -35.180) 35.288 1.931 ( -3.160 -0.000 14.592) 14.930 2.261 ( 6.139 0.000 17.195) 18.258 2.770 ( -7.423 -0.000 -1.007) 7.491 3.283 ( -3.744 -0.000 -14.686) 15.156 3.474 ( -11.091 -0.000 -15.808) 19.310 3.713 ( -2.862 -0.000 -6.587) 7.182 3.998 ( 2.165 0.000 4.887) 5.345 4.080 ( -0.003 -0.000 -0.002) 0.003 4.477 ( 4.496 0.000 21.573) 22.037 4.517 ( 2.891 0.000 8.607) 9.080 5.118 ( 1.907 0.000 2.556) 3.189 5.434 ( -0.616 -0.000 0.135) 0.631 5.501 ( 10.251 0.000 4.518) 11.202 5.531 ( -3.104 -0.000 -2.494) 3.982 5.622 ( 0.850 0.000 0.131) 0.860 5.782 ( 3.054 0.000 3.033) 4.304 5.866 ( -4.622 -0.000 0.666) 4.669 6.106 ( -0.686 -0.000 10.135) 10.159 6.370 ( -0.911 -0.000 -7.994) 8.045 6.732 ( -4.437 -0.000 -8.276) 9.390 6.838 ( -5.714 -0.000 -1.844) 6.004 6.944 ( -1.474 -0.000 -0.032) 1.474 7.111 ( 1.402 0.000 -0.050) 1.403 7.353 ( 7.283 0.000 -0.458) 7.297 7.811 ( -4.756 -0.000 -0.375) 4.770 8.027 ( 1.779 0.000 -6.819) 7.047 8.555 ( 0.915 0.000 -3.814) 3.922 11.126 ( 0.293 0.000 0.302) 0.421 12.147 ( -0.025 -0.000 -0.231) 0.233 13.643 ( 0.204 0.000 -1.169) 1.187 15.748 ( -4.464 -0.000 -30.691) 31.014 17.765 ( 2.003 0.000 12.015) 12.181 18.154 ( -1.812 -0.000 2.106) 2.778 ======================= Grid point 663 (310/324) ======================= q-point: ( 0.36 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 6.810 0.717 -4.730) 8.323 1.225 ( 3.549 -10.349 -19.414) 22.285 1.455 ( 1.698 -27.539 -17.872) 32.874 1.989 ( -3.870 -4.265 16.822) 17.781 2.544 ( 5.873 -19.629 16.478) 26.292 2.894 ( -4.846 -15.415 -1.136) 16.199 3.322 ( -5.750 -6.738 -15.934) 18.231 3.357 ( -9.253 -0.225 -14.251) 16.993 3.713 ( -1.595 -3.719 -5.272) 6.646 4.096 ( 1.258 -6.458 6.649) 9.354 4.152 ( -0.292 -7.062 -0.731) 7.106 4.528 ( 2.423 2.064 9.528) 10.045 4.643 ( 2.837 -10.453 14.230) 17.883 5.135 ( 2.309 -0.208 3.060) 3.839 5.420 ( 2.750 2.845 0.869) 4.051 5.481 ( -2.603 1.860 -7.364) 8.029 5.486 ( 0.071 2.051 0.917) 2.248 5.695 ( 1.561 -3.955 1.988) 4.693 5.797 ( 6.190 1.904 4.492) 7.882 5.869 ( -2.560 -2.255 3.394) 4.812 6.104 ( -0.953 2.381 7.803) 8.214 6.332 ( -1.842 1.353 -6.611) 6.995 6.633 ( -4.211 4.902 -8.869) 10.974 6.781 ( -4.650 2.772 -0.817) 5.474 6.875 ( -0.503 5.808 -0.013) 5.830 7.157 ( 1.382 -3.522 0.076) 3.784 7.414 ( 7.782 -0.887 0.742) 7.868 7.714 ( -2.897 6.655 -2.175) 7.577 7.958 ( 0.745 5.229 -6.833) 8.636 8.370 ( 0.798 14.435 -1.259) 14.512 11.267 ( 0.136 -13.852 -0.347) 13.857 12.831 ( -6.378 -60.309 7.985) 61.169 13.628 ( -0.111 1.098 -1.180) 1.615 15.596 ( -3.406 5.741 -26.346) 27.179 17.622 ( 3.970 18.052 8.155) 20.202 18.071 ( -1.369 8.144 2.287) 8.569 ======================= Grid point 664 (311/324) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -1.759 -7.411 -4.318) 8.756 1.380 ( 0.947 -14.500 -19.943) 24.675 2.062 ( 0.785 -30.570 -0.932) 30.594 2.173 ( -2.549 -14.966 12.195) 19.473 2.999 ( 4.845 -17.070 13.513) 22.303 3.155 ( -6.056 -2.117 -9.489) 11.454 3.302 ( -3.579 -18.144 -5.772) 19.373 3.510 ( -3.162 -14.998 -8.281) 17.422 3.835 ( -2.206 -12.015 -7.482) 14.325 4.243 ( 0.556 -6.486 7.615) 10.018 4.305 ( 0.254 -8.680 -1.385) 8.793 4.539 ( 1.354 -0.440 7.127) 7.268 4.947 ( 0.592 -15.963 6.680) 17.315 5.167 ( 2.434 -0.989 2.748) 3.802 5.360 ( 3.854 3.516 -0.284) 5.225 5.419 ( -3.725 0.690 -6.776) 7.763 5.476 ( -2.332 -0.906 -0.309) 2.521 5.764 ( 1.197 -1.816 2.934) 3.652 5.784 ( 4.533 2.622 4.894) 7.167 5.947 ( 1.609 -4.183 3.153) 5.480 6.055 ( -1.480 3.714 5.323) 6.657 6.269 ( -3.693 2.002 -6.010) 7.333 6.500 ( -2.203 4.876 -5.475) 7.655 6.689 ( -1.654 5.932 1.180) 6.271 6.758 ( -1.367 4.829 -1.090) 5.136 7.224 ( 1.765 -1.466 0.430) 2.334 7.387 ( 5.811 7.341 -2.121) 9.599 7.587 ( -2.356 4.337 -2.277) 5.435 7.847 ( 3.002 4.478 -3.216) 6.277 8.108 ( -1.944 12.517 1.377) 12.742 11.596 ( -0.043 -19.841 -1.246) 19.880 13.593 ( 0.023 1.520 -0.834) 1.733 13.991 ( -8.007 -56.313 12.915) 58.327 15.377 ( -2.967 8.712 -20.171) 22.171 17.238 ( 4.359 24.574 3.185) 25.160 17.867 ( -0.703 13.092 2.374) 13.324 ======================= Grid point 665 (312/324) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -6.888 -16.121 -3.415) 17.860 1.686 ( 0.834 -21.423 -10.557) 23.898 2.411 ( -0.156 -13.750 14.270) 19.817 2.701 ( -1.006 -29.490 -1.576) 29.549 3.054 ( -6.320 1.823 -12.663) 14.270 3.242 ( 0.248 -7.215 2.526) 7.648 3.730 ( -0.012 -22.929 -0.194) 22.930 3.801 ( 3.442 -13.101 7.689) 15.576 4.080 ( -2.390 -15.631 -9.976) 18.696 4.400 ( 0.761 -8.812 5.177) 10.248 4.475 ( 0.170 -9.921 -1.873) 10.098 4.586 ( -0.615 -2.381 2.323) 3.383 5.144 ( 2.846 0.001 -1.734) 3.332 5.197 ( 0.687 -1.707 0.202) 1.851 5.376 ( -0.464 -2.480 1.517) 2.944 5.442 ( -2.881 -8.244 -2.946) 9.216 5.488 ( -1.842 -1.625 1.875) 3.091 5.754 ( 4.471 2.121 2.479) 5.534 5.814 ( 0.795 -0.489 4.086) 4.191 5.973 ( 0.217 2.226 0.139) 2.241 6.059 ( -0.004 -3.380 5.104) 6.122 6.207 ( -3.593 0.475 -6.034) 7.039 6.411 ( -0.453 3.182 -1.326) 3.478 6.547 ( 0.027 8.410 1.954) 8.634 6.696 ( -1.039 1.435 -0.140) 1.778 7.143 ( 2.975 10.391 -1.826) 10.962 7.269 ( 2.003 7.125 0.741) 7.439 7.518 ( -3.406 -0.843 -4.619) 5.801 7.793 ( 5.990 5.614 0.367) 8.218 7.922 ( -3.825 4.077 1.633) 5.824 11.958 ( -0.086 -17.931 -1.204) 17.971 13.557 ( -0.039 1.798 -0.480) 1.861 14.840 ( -2.555 -28.997 12.536) 31.694 15.173 ( -3.964 2.538 -15.927) 16.608 16.802 ( 2.727 23.135 0.867) 23.311 17.606 ( -0.271 14.524 1.841) 14.643 ======================= Grid point 666 (313/324) ======================= q-point: ( 0.57 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -5.876 -21.264 -1.897) 22.143 2.113 ( 0.811 -24.766 -3.880) 25.081 2.704 ( 1.712 -12.257 12.860) 17.847 2.969 ( -4.502 -0.878 -11.060) 11.973 3.183 ( -1.257 -19.392 0.318) 19.435 3.377 ( -1.331 -9.180 -1.470) 9.392 4.034 ( 3.255 -8.017 8.198) 11.920 4.086 ( -0.294 -12.851 -0.697) 12.874 4.269 ( 0.685 -7.780 -3.692) 8.639 4.592 ( -2.268 -3.166 -0.954) 4.010 4.611 ( 2.220 -7.495 3.370) 8.512 4.684 ( -1.079 -10.392 -4.655) 11.438 5.094 ( 4.155 4.286 -0.831) 6.027 5.206 ( -1.255 0.021 -2.862) 3.125 5.405 ( -2.278 0.477 1.545) 2.793 5.514 ( 0.452 -3.120 0.335) 3.170 5.589 ( -4.185 -4.985 0.873) 6.568 5.795 ( 2.566 -5.273 0.598) 5.895 5.815 ( 1.711 0.419 1.291) 2.184 5.973 ( 1.079 -1.388 1.617) 2.389 6.121 ( 0.014 -1.479 3.039) 3.380 6.179 ( -2.315 0.599 -4.338) 4.953 6.343 ( -0.449 4.591 0.782) 4.678 6.422 ( -0.049 3.611 0.537) 3.651 6.661 ( 1.417 3.860 1.241) 4.295 6.955 ( 1.309 9.051 -0.464) 9.157 7.121 ( -0.413 7.537 -0.774) 7.588 7.549 ( -1.394 -3.331 -1.834) 4.050 7.712 ( 1.865 1.996 0.487) 2.775 7.913 ( -0.387 -1.244 0.723) 1.490 12.238 ( -0.061 -11.619 -0.420) 11.627 13.525 ( 0.002 1.485 -0.245) 1.505 14.913 ( -0.909 5.915 -3.125) 6.751 15.413 ( -1.952 -17.267 1.172) 17.416 16.415 ( 1.041 18.777 0.229) 18.808 17.342 ( -0.071 13.460 0.951) 13.494 ======================= Grid point 667 (314/324) ======================= q-point: ( 0.64 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -2.521 -22.370 -0.640) 22.521 2.577 ( 0.589 -23.910 -0.599) 23.925 2.882 ( 1.092 -1.506 5.401) 5.712 3.006 ( -1.890 -7.930 -4.993) 9.560 3.423 ( -0.454 -8.740 1.375) 8.859 3.606 ( -0.723 -13.140 -0.471) 13.169 4.148 ( 0.686 2.054 -0.463) 2.214 4.196 ( 0.491 -5.183 2.208) 5.656 4.410 ( -0.323 -5.938 -1.930) 6.252 4.577 ( -0.977 1.437 -0.429) 1.790 4.770 ( 2.274 -5.964 1.345) 6.523 4.816 ( -2.035 -4.419 -2.180) 5.331 5.046 ( 6.172 3.356 1.952) 7.292 5.186 ( -4.731 -0.677 -3.282) 5.797 5.374 ( -1.344 0.329 0.059) 1.385 5.564 ( 0.809 -1.275 0.333) 1.547 5.638 ( -2.139 -3.024 0.574) 3.748 5.822 ( 2.183 -0.681 0.124) 2.291 5.957 ( 0.446 -5.965 0.619) 6.013 6.003 ( 4.086 0.130 2.633) 4.863 6.082 ( -4.663 4.523 -2.258) 6.878 6.145 ( 0.342 0.929 -0.077) 0.993 6.280 ( -0.600 0.757 0.394) 1.044 6.414 ( 0.123 -1.902 0.250) 1.922 6.557 ( 1.178 6.995 0.544) 7.114 6.807 ( -0.087 7.652 -0.133) 7.654 7.014 ( -0.176 3.204 -0.350) 3.228 7.612 ( -0.377 -4.195 -0.294) 4.222 7.762 ( 0.756 -5.480 0.604) 5.565 7.931 ( -0.188 -0.463 -0.253) 0.560 12.391 ( -0.033 -4.906 0.089) 4.907 13.501 ( 0.014 1.006 -0.091) 1.011 14.827 ( -0.562 1.551 -1.796) 2.439 15.635 ( -0.218 -7.206 0.978) 7.275 16.113 ( 0.101 13.427 0.053) 13.428 17.112 ( 0.003 10.913 0.239) 10.916 ======================= Grid point 668 (315/324) ======================= q-point: ( 0.71 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -0.000 -18.819 0.000) 18.819 2.899 ( -0.000 -1.130 0.000) 1.130 2.965 ( -0.000 -14.950 0.000) 14.950 3.098 ( -0.000 -1.476 0.000) 1.476 3.562 ( -0.000 -4.704 0.000) 4.704 3.797 ( -0.000 -7.719 0.000) 7.719 4.080 ( -0.000 1.991 0.000) 1.991 4.287 ( -0.000 -3.207 0.000) 3.207 4.447 ( -0.000 0.998 0.000) 0.998 4.545 ( -0.000 0.399 0.000) 0.399 4.818 ( -0.000 1.879 0.000) 1.879 4.886 ( -0.000 -5.249 0.000) 5.249 4.988 ( -0.000 5.579 0.000) 5.579 5.213 ( -0.000 -4.321 0.000) 4.321 5.408 ( -0.000 -3.559 0.000) 3.559 5.576 ( -0.000 0.008 -0.000) 0.008 5.692 ( -0.000 -2.364 0.000) 2.364 5.822 ( 0.000 2.531 0.000) 2.531 5.904 ( -0.000 6.218 -0.000) 6.218 5.998 ( 0.000 2.488 0.000) 2.488 6.049 ( -0.000 -0.573 0.000) 0.573 6.142 ( -0.000 -0.555 0.000) 0.555 6.303 ( -0.000 -2.068 0.000) 2.068 6.446 ( -0.000 4.766 -0.000) 4.766 6.488 ( -0.000 -5.610 -0.000) 5.610 6.662 ( -0.000 7.169 0.000) 7.169 6.980 ( -0.000 1.127 0.000) 1.127 7.693 ( -0.000 -4.340 0.000) 4.340 7.882 ( 0.000 -5.643 0.000) 5.643 7.918 ( -0.000 1.894 -0.000) 1.894 12.439 ( -0.000 -0.759 0.000) 0.759 13.487 ( -0.000 0.472 0.000) 0.472 14.840 ( -0.000 -3.032 0.000) 3.032 15.716 ( -0.000 -1.853 0.000) 1.853 15.915 ( -0.000 7.501 0.000) 7.501 16.945 ( -0.000 6.433 0.000) 6.433 ======================= Grid point 678 (316/324) ======================= q-point: ( 0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 6.796 0.000 -0.591) 6.822 0.986 ( 10.071 0.000 -6.937) 12.229 1.157 ( 0.488 0.000 -33.871) 33.875 1.977 ( -4.497 -0.000 14.800) 15.468 2.406 ( 5.482 0.000 15.935) 16.852 2.703 ( -5.727 -0.000 -0.553) 5.754 3.169 ( -4.117 -0.000 -14.160) 14.746 3.296 ( -9.216 -0.000 -14.361) 17.064 3.663 ( -1.364 -0.000 -4.775) 4.966 4.037 ( 1.542 0.000 3.281) 3.625 4.080 ( -0.002 -0.000 -0.003) 0.003 4.580 ( 2.702 0.000 6.116) 6.686 4.612 ( 2.025 0.000 16.478) 16.602 5.155 ( 2.167 0.000 3.730) 4.314 5.430 ( -0.462 -0.000 0.107) 0.474 5.463 ( -4.865 -0.000 -6.604) 8.203 5.590 ( 4.505 0.000 1.799) 4.851 5.629 ( 0.645 0.000 0.102) 0.653 5.844 ( -2.892 -0.000 3.333) 4.412 5.867 ( 9.147 0.000 7.382) 11.754 6.143 ( -0.686 -0.000 5.821) 5.861 6.323 ( -1.918 -0.000 -4.957) 5.315 6.637 ( -4.359 -0.000 -10.039) 10.944 6.780 ( -5.190 -0.000 -1.316) 5.354 6.932 ( -1.050 -0.000 -0.027) 1.051 7.122 ( 0.990 0.000 -0.040) 0.991 7.455 ( 10.474 0.000 6.088) 12.115 7.757 ( -4.223 -0.000 -3.220) 5.311 7.985 ( -1.696 -0.000 -8.874) 9.034 8.548 ( 1.146 0.000 -2.688) 2.922 11.130 ( 0.238 0.000 0.245) 0.342 12.146 ( -0.022 -0.000 -0.187) 0.188 13.635 ( -0.189 -0.000 -1.502) 1.514 15.572 ( -1.929 -0.000 -23.206) 23.286 17.848 ( 2.803 0.000 9.468) 9.875 18.149 ( -1.401 -0.000 1.766) 2.255 ======================= Grid point 679 (317/324) ======================= q-point: ( 0.43 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 6.214 3.844 -1.983) 7.571 1.127 ( 1.844 -6.194 -21.928) 22.860 1.414 ( 2.039 -31.857 -6.616) 32.600 2.037 ( -3.540 -5.030 13.486) 14.822 2.684 ( 5.125 -20.209 15.542) 26.004 2.855 ( -2.383 -16.599 -0.250) 16.771 3.183 ( -5.875 -0.572 -13.678) 14.897 3.213 ( -6.623 -5.949 -13.059) 15.805 3.680 ( -0.577 -3.814 -3.438) 5.167 4.131 ( 0.283 -6.608 3.481) 7.474 4.148 ( 0.026 -7.082 -0.180) 7.085 4.590 ( 1.638 2.078 6.563) 7.077 4.725 ( 1.199 -8.343 9.070) 12.382 5.175 ( 2.153 -0.251 3.453) 4.076 5.405 ( -3.548 1.501 -7.725) 8.632 5.433 ( -0.230 0.024 1.060) 1.085 5.502 ( 1.732 5.945 -0.274) 6.198 5.713 ( 0.604 -4.121 1.769) 4.525 5.847 ( -0.111 0.126 1.491) 1.501 5.927 ( 7.932 -0.217 8.871) 11.902 6.126 ( -0.594 2.724 3.239) 4.274 6.278 ( -3.801 2.055 -4.688) 6.376 6.556 ( -2.637 3.619 -6.852) 8.186 6.733 ( -4.118 1.856 -1.532) 4.769 6.871 ( -0.471 5.583 0.077) 5.603 7.168 ( 0.913 -3.793 0.138) 3.904 7.510 ( 9.217 2.075 4.477) 10.455 7.676 ( -2.393 5.236 -2.241) 6.178 7.911 ( -2.347 3.435 -7.716) 8.766 8.372 ( 0.713 14.434 -0.754) 14.472 11.266 ( 0.087 -13.497 -0.243) 13.500 12.814 ( -4.578 -59.870 4.945) 60.248 13.620 ( -0.256 1.038 -1.170) 1.585 15.456 ( -1.207 5.494 -17.341) 18.231 17.694 ( 3.105 18.557 5.560) 19.620 18.072 ( -0.910 7.827 1.608) 8.042 ======================= Grid point 680 (318/324) ======================= q-point: ( 0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -0.428 -3.208 -2.043) 3.828 1.298 ( 0.544 -16.224 -12.080) 20.235 2.056 ( 0.267 -34.134 -2.101) 34.200 2.217 ( -1.537 -12.165 9.951) 15.791 3.051 ( -4.444 2.660 -8.206) 9.704 3.109 ( 3.735 -11.166 11.124) 16.198 3.267 ( -0.738 -24.362 -1.731) 24.435 3.439 ( -2.598 -23.961 -7.649) 25.286 3.787 ( -1.190 -8.840 -4.202) 9.860 4.268 ( -0.525 -7.433 2.140) 7.752 4.308 ( 0.569 -8.391 0.753) 8.444 4.579 ( 0.497 0.728 4.299) 4.389 4.974 ( 0.053 -14.540 2.804) 14.808 5.199 ( 1.501 -0.058 1.770) 2.322 5.355 ( -1.536 -0.185 -5.010) 5.244 5.392 ( 1.455 3.830 0.830) 4.180 5.460 ( -1.263 -0.922 0.158) 1.571 5.788 ( 0.728 -2.762 2.322) 3.681 5.835 ( 2.336 2.180 1.675) 3.608 5.998 ( 4.546 -1.637 5.003) 6.955 6.063 ( -1.162 3.595 2.496) 4.529 6.196 ( -5.059 2.264 -5.949) 8.130 6.466 ( -0.641 3.478 -2.441) 4.297 6.680 ( -1.356 2.485 0.737) 2.925 6.740 ( -0.962 6.940 -1.322) 7.130 7.240 ( 1.062 -1.753 0.506) 2.111 7.439 ( 6.301 8.668 -0.014) 10.716 7.547 ( -3.744 6.516 -2.092) 7.801 7.852 ( 1.333 0.397 -2.119) 2.535 8.100 ( -1.152 13.640 0.748) 13.709 11.591 ( -0.031 -19.631 -0.690) 19.644 13.589 ( -0.067 1.543 -0.567) 1.645 13.987 ( -4.691 -58.151 7.285) 58.793 15.273 ( -1.119 8.902 -11.352) 14.469 17.283 ( 2.433 25.397 1.765) 25.574 17.872 ( -0.385 12.879 1.291) 12.949 ======================= Grid point 681 (319/324) ======================= q-point: ( 0.57 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -2.613 -15.009 -1.233) 15.285 1.652 ( 0.320 -22.633 -3.817) 22.955 2.470 ( 0.232 -14.738 6.265) 16.016 2.688 ( -0.462 -29.959 -0.458) 29.966 2.957 ( -2.645 2.617 -5.991) 7.053 3.254 ( 0.114 -5.088 0.920) 5.171 3.728 ( -0.083 -23.060 -0.069) 23.060 3.888 ( 4.494 -13.628 9.886) 17.425 3.995 ( -3.755 -19.248 -10.626) 22.304 4.423 ( 0.182 -9.210 1.775) 9.381 4.470 ( 0.086 -8.565 -0.450) 8.578 4.590 ( -0.351 -0.939 0.771) 1.264 5.165 ( 2.754 -0.050 -0.075) 2.756 5.189 ( -1.632 -1.063 -0.981) 2.181 5.378 ( -0.886 -2.753 2.123) 3.587 5.412 ( -0.289 -6.323 -2.819) 6.928 5.488 ( -0.524 -2.757 1.288) 3.088 5.795 ( 1.893 2.787 1.065) 3.534 5.834 ( 0.285 -0.845 1.482) 1.730 5.974 ( 0.117 2.494 -0.098) 2.499 6.088 ( 0.729 -2.833 4.287) 5.190 6.147 ( -2.430 -0.685 -4.890) 5.504 6.405 ( -0.055 2.656 -0.285) 2.672 6.559 ( 0.253 8.948 1.172) 9.028 6.684 ( -0.693 -0.421 -0.569) 0.991 7.156 ( 1.095 10.271 -0.579) 10.345 7.293 ( 1.545 10.114 0.850) 10.266 7.471 ( -1.968 -2.640 -2.221) 3.971 7.843 ( 4.562 7.789 -0.235) 9.030 7.893 ( -3.821 1.412 0.914) 4.175 11.953 ( -0.032 -17.970 -0.429) 17.976 13.555 ( -0.029 1.729 -0.190) 1.740 14.886 ( -0.692 -34.462 8.344) 35.464 15.073 ( -1.586 6.942 -9.542) 11.906 16.823 ( 0.957 23.701 0.305) 23.722 17.611 ( -0.100 14.499 0.643) 14.513 ======================= Grid point 682 (320/324) ======================= q-point: ( 0.64 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -0.000 -21.443 0.000) 21.443 2.106 ( -0.000 -25.275 0.000) 25.275 2.761 ( -0.000 -14.386 0.000) 14.386 2.904 ( -0.000 1.285 0.000) 1.285 3.177 ( -0.000 -20.551 0.000) 20.551 3.367 ( -0.000 -8.358 -0.000) 8.358 4.079 ( -0.000 -7.494 0.000) 7.494 4.083 ( -0.000 -12.439 -0.000) 12.439 4.257 ( -0.000 -8.825 0.000) 8.825 4.576 ( -0.000 -1.466 0.000) 1.466 4.646 ( 0.000 -12.261 0.000) 12.261 4.652 ( -0.000 -6.809 -0.000) 6.809 5.122 ( 0.000 2.992 0.000) 2.992 5.181 ( -0.000 1.223 0.000) 1.223 5.399 ( -0.000 1.273 0.000) 1.273 5.521 ( -0.000 -4.252 0.000) 4.252 5.568 ( -0.000 -4.296 0.000) 4.296 5.808 ( -0.000 -5.482 0.000) 5.482 5.828 ( -0.000 0.987 0.000) 0.987 5.984 ( -0.000 -2.499 0.000) 2.499 6.142 ( 0.000 -1.500 0.000) 1.500 6.143 ( -0.000 1.037 -0.000) 1.037 6.343 ( -0.000 4.670 -0.000) 4.670 6.424 ( -0.000 3.757 0.000) 3.757 6.671 ( -0.000 3.169 0.000) 3.169 6.960 ( -0.000 9.298 -0.000) 9.298 7.117 ( -0.000 7.888 0.000) 7.888 7.537 ( -0.000 -3.874 0.000) 3.874 7.722 ( -0.000 2.381 0.000) 2.381 7.913 ( 0.000 -1.404 0.000) 1.404 12.236 ( -0.000 -11.708 0.000) 11.708 13.524 ( -0.000 1.463 0.000) 1.463 14.900 ( -0.000 6.493 0.000) 6.493 15.407 ( -0.000 -18.229 0.000) 18.229 16.420 ( -0.000 19.010 0.000) 19.010 17.344 ( -0.000 13.499 -0.000) 13.499 ======================= Grid point 694 (321/324) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -1.068 -0.000 -12.407) 12.452 1.032 ( 5.730 0.000 -3.445) 6.686 1.068 ( 6.102 0.000 -8.830) 10.733 2.006 ( -3.260 -0.000 9.296) 9.851 2.518 ( 2.510 0.000 9.804) 10.121 2.670 ( -1.611 -0.000 1.699) 2.342 3.063 ( -3.500 -0.000 -10.849) 11.400 3.164 ( -5.287 -0.000 -8.894) 10.347 3.636 ( -0.413 -0.000 -2.543) 2.577 4.061 ( 0.803 0.000 1.650) 1.834 4.080 ( -0.003 -0.000 -0.006) 0.007 4.626 ( 1.565 0.000 3.362) 3.708 4.694 ( 0.825 0.000 9.081) 9.118 5.190 ( 1.261 0.000 2.817) 3.087 5.386 ( -3.357 -0.000 -6.234) 7.080 5.427 ( -0.246 -0.000 0.059) 0.253 5.620 ( 1.222 0.000 0.847) 1.487 5.634 ( 0.346 0.000 0.056) 0.350 5.841 ( -1.452 -0.000 2.584) 2.964 6.005 ( 9.897 0.000 9.152) 13.480 6.159 ( 0.406 0.000 1.253) 1.317 6.270 ( -5.035 -0.000 -4.348) 6.653 6.564 ( -1.821 -0.000 -5.557) 5.848 6.730 ( -3.689 -0.000 -1.423) 3.954 6.925 ( -0.546 -0.000 -0.016) 0.546 7.129 ( 0.511 0.000 -0.022) 0.512 7.592 ( 9.588 0.000 9.220) 13.301 7.710 ( -1.862 -0.000 -3.234) 3.732 7.904 ( -4.864 -0.000 -9.454) 10.632 8.546 ( 0.736 0.000 -1.355) 1.542 11.133 ( 0.133 0.000 0.137) 0.191 12.145 ( -0.012 -0.000 -0.104) 0.105 13.626 ( -0.209 -0.000 -1.035) 1.056 15.467 ( -0.368 -0.000 -12.080) 12.085 17.909 ( 1.776 0.000 5.095) 5.396 18.147 ( -0.761 -0.000 1.010) 1.265 ======================= Grid point 695 (322/324) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 2.080 3.162 -1.229) 3.979 1.057 ( 1.251 -4.255 -8.256) 9.372 1.404 ( 0.540 -31.494 -1.921) 31.557 2.067 ( -1.321 -5.758 5.371) 7.984 2.774 ( 0.710 -21.921 5.004) 22.496 2.867 ( 2.047 -18.410 4.962) 19.177 3.084 ( -2.379 -3.890 -8.698) 9.821 3.103 ( -3.942 -0.013 -5.801) 7.014 3.665 ( -0.109 -3.834 -1.207) 4.021 4.137 ( -0.185 -5.680 0.208) 5.687 4.154 ( 0.246 -7.888 0.852) 7.938 4.626 ( 0.627 2.037 2.409) 3.216 4.764 ( 0.287 -6.960 3.146) 7.643 5.204 ( 0.832 -0.389 1.528) 1.783 5.349 ( -1.473 1.020 -3.419) 3.860 5.435 ( -0.216 -0.778 0.404) 0.903 5.512 ( 0.583 6.712 -0.121) 6.738 5.725 ( 0.270 -4.465 0.748) 4.535 5.849 ( -0.356 -0.566 0.660) 0.939 6.047 ( 6.553 1.621 7.292) 9.937 6.135 ( 1.208 3.085 -0.047) 3.314 6.205 ( -6.014 2.417 -4.614) 7.956 6.518 ( -0.514 2.762 -2.064) 3.486 6.697 ( -1.839 1.331 -0.940) 2.458 6.868 ( -0.187 5.497 0.035) 5.500 7.174 ( 0.331 -4.005 0.088) 4.019 7.609 ( 6.141 5.328 3.181) 8.730 7.651 ( -1.651 4.768 -0.060) 5.046 7.846 ( -2.796 0.502 -5.052) 5.796 8.374 ( 0.279 14.472 -0.253) 14.477 11.266 ( 0.030 -13.298 -0.087) 13.298 12.803 ( -1.649 -59.471 1.638) 59.516 13.613 ( -0.117 0.977 -0.480) 1.095 15.388 ( -0.198 5.518 -5.957) 8.122 17.734 ( 1.138 18.873 1.951) 19.008 18.072 ( -0.317 7.664 0.578) 7.692 ======================= Grid point 696 (323/324) ======================= q-point: ( 0.57 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -0.000 -1.441 0.000) 1.441 1.267 ( -0.000 -17.009 0.000) 17.009 2.051 ( -0.000 -34.586 -0.000) 34.586 2.239 ( -0.000 -12.064 0.000) 12.064 3.006 ( -0.000 3.353 0.000) 3.353 3.164 ( -0.000 -5.127 0.000) 5.127 3.259 ( -0.000 -25.652 -0.000) 25.652 3.400 ( -0.000 -31.353 0.000) 31.353 3.770 ( -0.000 -7.328 -0.000) 7.328 4.269 ( 0.000 -7.796 -0.000) 7.796 4.314 ( -0.000 -8.248 0.000) 8.248 4.593 ( -0.000 1.203 0.000) 1.203 4.981 ( -0.000 -14.112 0.000) 14.112 5.210 ( -0.000 0.614 0.000) 0.614 5.333 ( -0.000 -0.843 0.000) 0.843 5.401 ( -0.000 4.202 0.000) 4.202 5.455 ( -0.000 -1.272 0.000) 1.272 5.799 ( -0.000 -2.973 0.000) 2.973 5.849 ( 0.000 1.236 -0.000) 1.236 6.052 ( -0.000 3.229 0.000) 3.229 6.066 ( 0.000 1.160 0.000) 1.160 6.136 ( -0.000 1.608 -0.000) 1.608 6.457 ( -0.000 3.055 -0.000) 3.055 6.675 ( -0.000 0.294 0.000) 0.294 6.731 ( 0.000 8.542 0.000) 8.542 7.247 ( 0.000 -1.878 -0.000) 1.878 7.493 ( -0.000 6.977 -0.000) 6.977 7.499 ( 0.000 9.858 0.000) 9.858 7.852 ( -0.000 -1.532 0.000) 1.532 8.096 ( 0.000 14.154 0.000) 14.154 11.588 ( -0.000 -19.557 -0.000) 19.557 13.587 ( -0.000 1.533 0.000) 1.533 13.985 ( -0.000 -58.910 0.000) 58.910 15.237 ( -0.000 9.127 0.000) 9.127 17.299 ( -0.000 25.699 0.000) 25.699 17.874 ( -0.000 12.809 -0.000) 12.809 ======================= Grid point 711 (324/324) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 0.000 0.000 -0.000) 0.000 1.050 ( 0.000 0.000 -0.000) 0.000 1.082 ( 0.000 0.000 -0.000) 0.000 2.016 ( 0.000 0.000 -0.000) 0.000 2.551 ( 0.000 0.000 0.000) 0.000 2.678 ( 0.000 0.000 -0.000) 0.000 3.012 ( 0.000 0.000 -0.000) 0.000 3.115 ( 0.000 0.000 -0.000) 0.000 3.627 ( 0.000 0.000 -0.000) 0.000 4.069 ( 0.000 0.000 -0.000) 0.000 4.080 ( 0.000 0.000 -0.000) 0.000 4.643 ( 0.000 0.000 -0.000) 0.000 4.723 ( 0.000 0.000 -0.000) 0.000 5.203 ( 0.000 0.000 -0.000) 0.000 5.351 ( 0.000 0.000 -0.000) 0.000 5.426 ( 0.000 0.000 -0.000) 0.000 5.628 ( 0.000 0.000 -0.000) 0.000 5.636 ( 0.000 0.000 -0.000) 0.000 5.842 ( 0.000 0.000 -0.000) 0.000 6.101 ( 0.000 0.000 -0.000) 0.000 6.176 ( -0.000 -0.000 -0.000) 0.000 6.200 ( 0.000 0.000 0.000) 0.000 6.543 ( 0.000 0.000 0.000) 0.000 6.707 ( 0.000 0.000 -0.000) 0.000 6.922 ( 0.000 0.000 -0.000) 0.000 7.131 ( 0.000 0.000 -0.000) 0.000 7.688 ( 0.000 0.000 -0.000) 0.000 7.691 ( -0.000 -0.000 0.000) 0.000 7.831 ( 0.000 0.000 -0.000) 0.000 8.546 ( 0.000 0.000 -0.000) 0.000 11.134 ( 0.000 0.000 -0.000) 0.000 12.145 ( 0.000 0.000 -0.000) 0.000 13.622 ( 0.000 0.000 -0.000) 0.000 15.433 ( 0.000 0.000 -0.000) 0.000 17.932 ( 0.000 0.000 -0.000) 0.000 18.146 ( 0.000 0.000 -0.000) 0.000 =================== 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 3/42336 10.0 142.025 237.591 570.319 0.000 127.523 0.000 3/42336 20.0 52.912 237.216 217.349 0.000 49.497 0.000 3/42336 30.0 29.647 158.431 115.737 0.000 26.786 0.000 3/42336 40.0 18.085 100.020 67.004 0.000 15.682 0.000 3/42336 50.0 11.975 67.224 42.586 0.000 10.054 0.000 3/42336 60.0 8.584 48.813 29.639 0.000 7.041 0.000 3/42336 70.0 6.570 37.772 22.206 0.000 5.297 0.000 3/42336 80.0 5.288 30.660 17.589 0.000 4.207 0.000 3/42336 90.0 4.420 25.782 14.518 0.000 3.478 0.000 3/42336 100.0 3.800 22.262 12.357 0.000 2.963 0.000 3/42336 110.0 3.339 19.614 10.766 0.000 2.582 0.000 3/42336 120.0 2.984 17.554 9.552 0.000 2.289 0.000 3/42336 130.0 2.703 15.908 8.595 0.000 2.058 0.000 3/42336 140.0 2.474 14.563 7.824 0.000 1.870 0.000 3/42336 150.0 2.284 13.441 7.189 0.000 1.715 0.000 3/42336 160.0 2.124 12.491 6.656 0.000 1.584 0.000 3/42336 170.0 1.987 11.676 6.203 0.000 1.472 0.000 3/42336 180.0 1.868 10.968 5.812 0.000 1.376 0.000 3/42336 190.0 1.764 10.346 5.472 0.000 1.291 0.000 3/42336 200.0 1.672 9.795 5.172 0.000 1.217 0.000 3/42336 210.0 1.590 9.304 4.906 0.000 1.151 0.000 3/42336 220.0 1.517 8.862 4.668 0.000 1.092 0.000 3/42336 230.0 1.450 8.462 4.453 0.000 1.039 0.000 3/42336 240.0 1.389 8.099 4.259 0.000 0.991 0.000 3/42336 250.0 1.334 7.767 4.081 0.000 0.947 0.000 3/42336 260.0 1.283 7.462 3.919 0.000 0.907 0.000 3/42336 270.0 1.236 7.181 3.770 0.000 0.870 0.000 3/42336 280.0 1.192 6.921 3.632 0.000 0.837 0.000 3/42336 290.0 1.152 6.680 3.505 0.000 0.805 0.000 3/42336 300.0 1.114 6.456 3.386 0.000 0.777 0.000 3/42336 310.0 1.079 6.246 3.276 0.000 0.750 0.000 3/42336 320.0 1.046 6.050 3.173 0.000 0.725 0.000 3/42336 330.0 1.015 5.867 3.076 0.000 0.701 0.000 3/42336 340.0 0.986 5.694 2.985 0.000 0.679 0.000 3/42336 350.0 0.958 5.531 2.899 0.000 0.659 0.000 3/42336 360.0 0.932 5.378 2.819 0.000 0.640 0.000 3/42336 370.0 0.908 5.233 2.743 0.000 0.621 0.000 3/42336 380.0 0.885 5.096 2.671 0.000 0.604 0.000 3/42336 390.0 0.862 4.966 2.602 0.000 0.588 0.000 3/42336 400.0 0.841 4.842 2.537 0.000 0.573 0.000 3/42336 410.0 0.821 4.724 2.476 0.000 0.558 0.000 3/42336 420.0 0.802 4.612 2.417 0.000 0.544 0.000 3/42336 430.0 0.784 4.506 2.361 0.000 0.531 0.000 3/42336 440.0 0.767 4.404 2.308 0.000 0.519 0.000 3/42336 450.0 0.750 4.307 2.257 0.000 0.507 0.000 3/42336 460.0 0.734 4.214 2.208 0.000 0.495 0.000 3/42336 470.0 0.719 4.125 2.161 0.000 0.484 0.000 3/42336 480.0 0.704 4.039 2.117 0.000 0.474 0.000 3/42336 490.0 0.690 3.957 2.074 0.000 0.464 0.000 3/42336 500.0 0.677 3.879 2.033 0.000 0.454 0.000 3/42336 510.0 0.664 3.803 1.993 0.000 0.445 0.000 3/42336 520.0 0.651 3.730 1.955 0.000 0.436 0.000 3/42336 530.0 0.639 3.661 1.918 0.000 0.428 0.000 3/42336 540.0 0.628 3.593 1.883 0.000 0.420 0.000 3/42336 550.0 0.617 3.528 1.849 0.000 0.412 0.000 3/42336 560.0 0.606 3.466 1.816 0.000 0.404 0.000 3/42336 570.0 0.595 3.405 1.785 0.000 0.397 0.000 3/42336 580.0 0.585 3.347 1.754 0.000 0.390 0.000 3/42336 590.0 0.576 3.291 1.725 0.000 0.383 0.000 3/42336 600.0 0.566 3.236 1.696 0.000 0.377 0.000 3/42336 610.0 0.557 3.184 1.669 0.000 0.371 0.000 3/42336 620.0 0.548 3.133 1.642 0.000 0.365 0.000 3/42336 630.0 0.540 3.083 1.616 0.000 0.359 0.000 3/42336 640.0 0.531 3.035 1.591 0.000 0.353 0.000 3/42336 650.0 0.523 2.989 1.567 0.000 0.347 0.000 3/42336 660.0 0.516 2.944 1.543 0.000 0.342 0.000 3/42336 670.0 0.508 2.900 1.520 0.000 0.337 0.000 3/42336 680.0 0.501 2.858 1.498 0.000 0.332 0.000 3/42336 690.0 0.494 2.817 1.476 0.000 0.327 0.000 3/42336 700.0 0.487 2.777 1.456 0.000 0.322 0.000 3/42336 710.0 0.480 2.738 1.435 0.000 0.318 0.000 3/42336 720.0 0.473 2.700 1.415 0.000 0.313 0.000 3/42336 730.0 0.467 2.663 1.396 0.000 0.309 0.000 3/42336 740.0 0.461 2.628 1.377 0.000 0.305 0.000 3/42336 750.0 0.455 2.593 1.359 0.000 0.301 0.000 3/42336 760.0 0.449 2.559 1.341 0.000 0.297 0.000 3/42336 770.0 0.443 2.526 1.324 0.000 0.293 0.000 3/42336 780.0 0.437 2.494 1.307 0.000 0.289 0.000 3/42336 790.0 0.432 2.462 1.291 0.000 0.285 0.000 3/42336 800.0 0.427 2.432 1.275 0.000 0.282 0.000 3/42336 810.0 0.421 2.402 1.259 0.000 0.278 0.000 3/42336 820.0 0.416 2.373 1.244 0.000 0.275 0.000 3/42336 830.0 0.411 2.344 1.229 0.000 0.271 0.000 3/42336 840.0 0.407 2.316 1.214 0.000 0.268 0.000 3/42336 850.0 0.402 2.289 1.200 0.000 0.265 0.000 3/42336 860.0 0.397 2.263 1.186 0.000 0.262 0.000 3/42336 870.0 0.393 2.237 1.173 0.000 0.259 0.000 3/42336 880.0 0.388 2.212 1.160 0.000 0.256 0.000 3/42336 890.0 0.384 2.187 1.147 0.000 0.253 0.000 3/42336 900.0 0.380 2.163 1.134 0.000 0.250 0.000 3/42336 910.0 0.376 2.139 1.122 0.000 0.247 0.000 3/42336 920.0 0.372 2.116 1.109 0.000 0.245 0.000 3/42336 930.0 0.368 2.093 1.098 0.000 0.242 0.000 3/42336 940.0 0.364 2.071 1.086 0.000 0.239 0.000 3/42336 950.0 0.360 2.050 1.075 0.000 0.237 0.000 3/42336 960.0 0.356 2.028 1.063 0.000 0.234 0.000 3/42336 970.0 0.353 2.007 1.053 0.000 0.232 0.000 3/42336 980.0 0.349 1.987 1.042 0.000 0.229 0.000 3/42336 990.0 0.346 1.967 1.031 0.000 0.227 0.000 3/42336 1000.0 0.342 1.948 1.021 0.000 0.225 0.000 3/42336 Thermal conductivity related properties were written into "kappa-m14146.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:25:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|