----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:22:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.088518095000000 -11.444147904999998 0.000000000000000 b 2.088518095000000 11.444147904999998 0.000000000000000 c 0.000000000000000 0.000000000000000 7.645511560000000 Atomic positions (fractional): *1 Cs 0.99566572230565 0.00433427769435 0.75000000000000 132.905 *2 Cs 0.82268999539924 0.17731000460076 0.25000000000000 132.905 3 Cs 0.17731000460076 0.82268999539924 0.75000000000000 132.905 4 Cs 0.00433427769435 0.99566572230565 0.25000000000000 132.905 *5 Li 0.35142655119473 0.64857344880527 0.75000000000000 6.941 6 Li 0.64857344880527 0.35142655119473 0.25000000000000 6.941 *7 Cl 0.20258772967020 0.79741227032980 0.25000000000000 35.453 8 Cl 0.79741227032980 0.20258772967020 0.75000000000000 35.453 *9 Cl 0.41174877577086 0.58825122422914 0.49873750750356 35.453 10 Cl 0.58825122422914 0.41174877577086 0.50126249249644 35.453 11 Cl 0.41174877577086 0.58825122422914 0.00126249249644 35.453 12 Cl 0.58825122422914 0.41174877577086 0.99873750750356 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.177036190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 22.888295809999995 0.000000000000000 c 0.000000000000000 0.000000000000000 7.645511560000000 Atomic positions (fractional): *1 Cs 0.50000000000000 0.50433427769435 0.75000000000000 132.905 > 1 *2 Cs 0.50000000000000 0.67731000460076 0.25000000000000 132.905 > 2 3 Cs 0.00000000000000 0.82268999539924 0.75000000000000 132.905 > 3 4 Cs 0.00000000000000 0.99566572230565 0.25000000000000 132.905 > 4 5 Cs 0.00000000000000 0.00433427769435 0.75000000000000 132.905 > 1 6 Cs 0.00000000000000 0.17731000460076 0.25000000000000 132.905 > 2 7 Cs 0.50000000000000 0.32268999539924 0.75000000000000 132.905 > 3 8 Cs 0.50000000000000 0.49566572230565 0.25000000000000 132.905 > 4 *9 Li 0.00000000000000 0.64857344880527 0.75000000000000 6.941 > 5 10 Li 0.50000000000000 0.85142655119473 0.25000000000000 6.941 > 6 11 Li 0.50000000000000 0.14857344880527 0.75000000000000 6.941 > 5 12 Li 0.00000000000000 0.35142655119472 0.25000000000000 6.941 > 6 *13 Cl 0.00000000000000 0.79741227032980 0.25000000000000 35.453 > 7 14 Cl 0.50000000000000 0.70258772967020 0.75000000000000 35.453 > 8 *15 Cl 0.00000000000000 0.58825122422914 0.49873750750356 35.453 > 9 16 Cl 0.50000000000000 0.91174877577086 0.50126249249644 35.453 > 10 17 Cl 0.00000000000000 0.58825122422914 0.00126249249644 35.453 > 11 18 Cl 0.50000000000000 0.91174877577086 0.99873750750356 35.453 > 12 19 Cl 0.50000000000000 0.29741227032980 0.25000000000000 35.453 > 7 20 Cl 0.00000000000000 0.20258772967020 0.75000000000000 35.453 > 8 21 Cl 0.50000000000000 0.08825122422914 0.49873750750356 35.453 > 9 22 Cl 0.00000000000000 0.41174877577086 0.50126249249644 35.453 > 10 23 Cl 0.50000000000000 0.08825122422914 0.00126249249644 35.453 > 11 24 Cl 0.00000000000000 0.41174877577086 0.99873750750356 35.453 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.531108570000001 0.000000000000000 0.000000000000000 b 0.000000000000000 22.888295809999995 0.000000000000000 c 0.000000000000000 0.000000000000000 15.291023120000000 Atomic positions (fractional): *1 Cs 0.16666666666667 0.50433427769435 0.37500000000000 132.905 > 1 2 Cs 0.50000000000000 0.50433427769435 0.37500000000000 132.905 > 1 3 Cs 0.83333333333333 0.50433427769435 0.37500000000000 132.905 > 1 4 Cs 0.16666666666667 0.50433427769435 0.87500000000000 132.905 > 1 5 Cs 0.50000000000000 0.50433427769435 0.87500000000000 132.905 > 1 6 Cs 0.83333333333333 0.50433427769435 0.87500000000000 132.905 > 1 *7 Cs 0.16666666666667 0.67731000460076 0.12500000000000 132.905 > 2 8 Cs 0.50000000000000 0.67731000460076 0.12500000000000 132.905 > 2 9 Cs 0.83333333333333 0.67731000460076 0.12500000000000 132.905 > 2 10 Cs 0.16666666666667 0.67731000460076 0.62500000000000 132.905 > 2 11 Cs 0.50000000000000 0.67731000460076 0.62500000000000 132.905 > 2 12 Cs 0.83333333333333 0.67731000460076 0.62500000000000 132.905 > 2 13 Cs 0.00000000000000 0.82268999539924 0.37500000000000 132.905 > 3 14 Cs 0.33333333333333 0.82268999539924 0.37500000000000 132.905 > 3 15 Cs 0.66666666666667 0.82268999539924 0.37500000000000 132.905 > 3 16 Cs 0.00000000000000 0.82268999539924 0.87500000000000 132.905 > 3 17 Cs 0.33333333333333 0.82268999539924 0.87500000000000 132.905 > 3 18 Cs 0.66666666666667 0.82268999539924 0.87500000000000 132.905 > 3 19 Cs 0.00000000000000 0.99566572230565 0.12500000000000 132.905 > 4 20 Cs 0.33333333333333 0.99566572230565 0.12500000000000 132.905 > 4 21 Cs 0.66666666666667 0.99566572230565 0.12500000000000 132.905 > 4 22 Cs 0.00000000000000 0.99566572230565 0.62500000000000 132.905 > 4 23 Cs 0.33333333333333 0.99566572230565 0.62500000000000 132.905 > 4 24 Cs 0.66666666666667 0.99566572230565 0.62500000000000 132.905 > 4 25 Cs 0.00000000000000 0.00433427769435 0.37500000000000 132.905 > 1 26 Cs 0.33333333333333 0.00433427769435 0.37500000000000 132.905 > 1 27 Cs 0.66666666666667 0.00433427769435 0.37500000000000 132.905 > 1 28 Cs 0.00000000000000 0.00433427769435 0.87500000000000 132.905 > 1 29 Cs 0.33333333333333 0.00433427769435 0.87500000000000 132.905 > 1 30 Cs 0.66666666666667 0.00433427769435 0.87500000000000 132.905 > 1 31 Cs 0.00000000000000 0.17731000460076 0.12500000000000 132.905 > 2 32 Cs 0.33333333333333 0.17731000460076 0.12500000000000 132.905 > 2 33 Cs 0.66666666666667 0.17731000460076 0.12500000000000 132.905 > 2 34 Cs 0.00000000000000 0.17731000460076 0.62500000000000 132.905 > 2 35 Cs 0.33333333333333 0.17731000460076 0.62500000000000 132.905 > 2 36 Cs 0.66666666666667 0.17731000460076 0.62500000000000 132.905 > 2 37 Cs 0.16666666666667 0.32268999539924 0.37500000000000 132.905 > 3 38 Cs 0.50000000000000 0.32268999539924 0.37500000000000 132.905 > 3 39 Cs 0.83333333333333 0.32268999539924 0.37500000000000 132.905 > 3 40 Cs 0.16666666666667 0.32268999539924 0.87500000000000 132.905 > 3 41 Cs 0.50000000000000 0.32268999539924 0.87500000000000 132.905 > 3 42 Cs 0.83333333333333 0.32268999539924 0.87500000000000 132.905 > 3 43 Cs 0.16666666666667 0.49566572230565 0.12500000000000 132.905 > 4 44 Cs 0.50000000000000 0.49566572230565 0.12500000000000 132.905 > 4 45 Cs 0.83333333333333 0.49566572230565 0.12500000000000 132.905 > 4 46 Cs 0.16666666666667 0.49566572230565 0.62500000000000 132.905 > 4 47 Cs 0.50000000000000 0.49566572230565 0.62500000000000 132.905 > 4 48 Cs 0.83333333333333 0.49566572230565 0.62500000000000 132.905 > 4 *49 Li 0.00000000000000 0.64857344880527 0.37500000000000 6.941 > 5 50 Li 0.33333333333333 0.64857344880527 0.37500000000000 6.941 > 5 51 Li 0.66666666666667 0.64857344880527 0.37500000000000 6.941 > 5 52 Li 0.00000000000000 0.64857344880527 0.87500000000000 6.941 > 5 53 Li 0.33333333333333 0.64857344880527 0.87500000000000 6.941 > 5 54 Li 0.66666666666667 0.64857344880527 0.87500000000000 6.941 > 5 55 Li 0.16666666666667 0.85142655119473 0.12500000000000 6.941 > 6 56 Li 0.50000000000000 0.85142655119473 0.12500000000000 6.941 > 6 57 Li 0.83333333333333 0.85142655119473 0.12500000000000 6.941 > 6 58 Li 0.16666666666667 0.85142655119473 0.62500000000000 6.941 > 6 59 Li 0.50000000000000 0.85142655119473 0.62500000000000 6.941 > 6 60 Li 0.83333333333333 0.85142655119473 0.62500000000000 6.941 > 6 61 Li 0.16666666666667 0.14857344880527 0.37500000000000 6.941 > 5 62 Li 0.50000000000000 0.14857344880527 0.37500000000000 6.941 > 5 63 Li 0.83333333333333 0.14857344880527 0.37500000000000 6.941 > 5 64 Li 0.16666666666667 0.14857344880527 0.87500000000000 6.941 > 5 65 Li 0.50000000000000 0.14857344880527 0.87500000000000 6.941 > 5 66 Li 0.83333333333333 0.14857344880527 0.87500000000000 6.941 > 5 67 Li 0.00000000000000 0.35142655119472 0.12500000000000 6.941 > 6 68 Li 0.33333333333333 0.35142655119472 0.12500000000000 6.941 > 6 69 Li 0.66666666666667 0.35142655119472 0.12500000000000 6.941 > 6 70 Li 0.00000000000000 0.35142655119472 0.62500000000000 6.941 > 6 71 Li 0.33333333333333 0.35142655119472 0.62500000000000 6.941 > 6 72 Li 0.66666666666667 0.35142655119472 0.62500000000000 6.941 > 6 *73 Cl 0.00000000000000 0.79741227032980 0.12500000000000 35.453 > 7 74 Cl 0.33333333333333 0.79741227032980 0.12500000000000 35.453 > 7 75 Cl 0.66666666666667 0.79741227032980 0.12500000000000 35.453 > 7 76 Cl 0.00000000000000 0.79741227032980 0.62500000000000 35.453 > 7 77 Cl 0.33333333333333 0.79741227032980 0.62500000000000 35.453 > 7 78 Cl 0.66666666666667 0.79741227032980 0.62500000000000 35.453 > 7 79 Cl 0.16666666666667 0.70258772967020 0.37500000000000 35.453 > 8 80 Cl 0.50000000000000 0.70258772967020 0.37500000000000 35.453 > 8 81 Cl 0.83333333333333 0.70258772967020 0.37500000000000 35.453 > 8 82 Cl 0.16666666666667 0.70258772967020 0.87500000000000 35.453 > 8 83 Cl 0.50000000000000 0.70258772967020 0.87500000000000 35.453 > 8 84 Cl 0.83333333333333 0.70258772967020 0.87500000000000 35.453 > 8 *85 Cl 0.00000000000000 0.58825122422914 0.24936875375178 35.453 > 9 86 Cl 0.33333333333333 0.58825122422914 0.24936875375178 35.453 > 9 87 Cl 0.66666666666667 0.58825122422914 0.24936875375178 35.453 > 9 88 Cl 0.00000000000000 0.58825122422914 0.74936875375178 35.453 > 9 89 Cl 0.33333333333333 0.58825122422914 0.74936875375178 35.453 > 9 90 Cl 0.66666666666667 0.58825122422914 0.74936875375178 35.453 > 9 91 Cl 0.16666666666667 0.91174877577086 0.25063124624822 35.453 > 10 92 Cl 0.50000000000000 0.91174877577086 0.25063124624822 35.453 > 10 93 Cl 0.83333333333333 0.91174877577086 0.25063124624822 35.453 > 10 94 Cl 0.16666666666667 0.91174877577086 0.75063124624822 35.453 > 10 95 Cl 0.50000000000000 0.91174877577086 0.75063124624822 35.453 > 10 96 Cl 0.83333333333333 0.91174877577086 0.75063124624822 35.453 > 10 97 Cl 0.00000000000000 0.58825122422914 0.00063124624822 35.453 > 11 98 Cl 0.33333333333333 0.58825122422914 0.00063124624822 35.453 > 11 99 Cl 0.66666666666667 0.58825122422914 0.00063124624822 35.453 > 11 100 Cl 0.00000000000000 0.58825122422914 0.50063124624822 35.453 > 11 101 Cl 0.33333333333333 0.58825122422914 0.50063124624822 35.453 > 11 102 Cl 0.66666666666667 0.58825122422914 0.50063124624822 35.453 > 11 103 Cl 0.16666666666667 0.91174877577086 0.49936875375178 35.453 > 12 104 Cl 0.50000000000000 0.91174877577086 0.49936875375178 35.453 > 12 105 Cl 0.83333333333333 0.91174877577086 0.49936875375178 35.453 > 12 106 Cl 0.16666666666667 0.91174877577086 0.99936875375178 35.453 > 12 107 Cl 0.50000000000000 0.91174877577086 0.99936875375178 35.453 > 12 108 Cl 0.83333333333333 0.91174877577086 0.99936875375178 35.453 > 12 109 Cl 0.16666666666667 0.29741227032980 0.12500000000000 35.453 > 7 110 Cl 0.50000000000000 0.29741227032980 0.12500000000000 35.453 > 7 111 Cl 0.83333333333333 0.29741227032980 0.12500000000000 35.453 > 7 112 Cl 0.16666666666667 0.29741227032980 0.62500000000000 35.453 > 7 113 Cl 0.50000000000000 0.29741227032980 0.62500000000000 35.453 > 7 114 Cl 0.83333333333333 0.29741227032980 0.62500000000000 35.453 > 7 115 Cl 0.00000000000000 0.20258772967020 0.37500000000000 35.453 > 8 116 Cl 0.33333333333333 0.20258772967020 0.37500000000000 35.453 > 8 117 Cl 0.66666666666667 0.20258772967020 0.37500000000000 35.453 > 8 118 Cl 0.00000000000000 0.20258772967020 0.87500000000000 35.453 > 8 119 Cl 0.33333333333333 0.20258772967020 0.87500000000000 35.453 > 8 120 Cl 0.66666666666667 0.20258772967020 0.87500000000000 35.453 > 8 121 Cl 0.16666666666667 0.08825122422914 0.24936875375178 35.453 > 9 122 Cl 0.50000000000000 0.08825122422914 0.24936875375178 35.453 > 9 123 Cl 0.83333333333333 0.08825122422914 0.24936875375178 35.453 > 9 124 Cl 0.16666666666667 0.08825122422914 0.74936875375178 35.453 > 9 125 Cl 0.50000000000000 0.08825122422914 0.74936875375178 35.453 > 9 126 Cl 0.83333333333333 0.08825122422914 0.74936875375178 35.453 > 9 127 Cl 0.00000000000000 0.41174877577086 0.25063124624822 35.453 > 10 128 Cl 0.33333333333333 0.41174877577086 0.25063124624822 35.453 > 10 129 Cl 0.66666666666667 0.41174877577086 0.25063124624822 35.453 > 10 130 Cl 0.00000000000000 0.41174877577086 0.75063124624822 35.453 > 10 131 Cl 0.33333333333333 0.41174877577086 0.75063124624822 35.453 > 10 132 Cl 0.66666666666667 0.41174877577086 0.75063124624822 35.453 > 10 133 Cl 0.16666666666667 0.08825122422914 0.00063124624822 35.453 > 11 134 Cl 0.50000000000000 0.08825122422914 0.00063124624822 35.453 > 11 135 Cl 0.83333333333333 0.08825122422914 0.00063124624822 35.453 > 11 136 Cl 0.16666666666667 0.08825122422914 0.50063124624822 35.453 > 11 137 Cl 0.50000000000000 0.08825122422914 0.50063124624822 35.453 > 11 138 Cl 0.83333333333333 0.08825122422914 0.50063124624822 35.453 > 11 139 Cl 0.00000000000000 0.41174877577086 0.49936875375178 35.453 > 12 140 Cl 0.33333333333333 0.41174877577086 0.49936875375178 35.453 > 12 141 Cl 0.66666666666667 0.41174877577086 0.49936875375178 35.453 > 12 142 Cl 0.00000000000000 0.41174877577086 0.99936875375178 35.453 > 12 143 Cl 0.33333333333333 0.41174877577086 0.99936875375178 35.453 > 12 144 Cl 0.66666666666667 0.41174877577086 0.99936875375178 35.453 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7738189 0.0000000 0.0000000 0.0000000 2.7655956 0.0000000 0.0000000 0.0000000 2.7394750 -------------------------- Born effective charges -------------------------- 1 Cs 1.3807921 0.0000000 0.0000000 0.0000000 1.2839452 0.0000000 0.0000000 0.0000000 1.2855066 2 Cs 1.2421606 0.0000000 0.0000000 0.0000000 1.4064181 0.0000000 0.0000000 0.0000000 1.2804047 3 Cs 1.2421606 0.0000000 0.0000000 0.0000000 1.4064181 0.0000000 0.0000000 0.0000000 1.2804047 4 Cs 1.3807921 0.0000000 0.0000000 0.0000000 1.2839452 0.0000000 0.0000000 0.0000000 1.2855066 5 Li 1.0689280 0.0000000 0.0000000 0.0000000 1.0041145 0.0000000 0.0000000 0.0000000 0.9969438 6 Li 1.0689280 0.0000000 0.0000000 0.0000000 1.0041145 0.0000000 0.0000000 0.0000000 0.9969438 7 Cl -1.3433989 0.0000000 0.0000000 0.0000000 -1.2724557 0.0000000 0.0000000 0.0000000 -0.9519656 8 Cl -1.3433989 0.0000000 0.0000000 0.0000000 -1.2724557 0.0000000 0.0000000 0.0000000 -0.9519656 9 Cl -1.1742409 0.0000000 0.0000000 0.0000000 -1.2110110 -0.0008946 0.0000000 0.0101985 -1.3054448 10 Cl -1.1742409 0.0000000 0.0000000 0.0000000 -1.2110110 -0.0008946 0.0000000 0.0101985 -1.3054448 11 Cl -1.1742409 0.0000000 0.0000000 0.0000000 -1.2110110 0.0008946 0.0000000 -0.0101985 -1.3054448 12 Cl -1.1742409 0.0000000 0.0000000 0.0000000 -1.2110110 0.0008946 0.0000000 -0.0101985 -1.3054448 ---------------------------------------------------------------------------- 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: 1148 Number of blocks in projector: 1148 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: 224 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 112 Use standard eigh solver. Tree of FC basis block matrices: - (1148, 1131), data: False |-- (112, 112), data: True |-- (176, 176), data: True |-- (212, 207), data: True |-- (212, 207), data: True |-- (212, 207), data: True |-- (224, 222), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.686 Solver_block: 200 / 240 - Time: 1.658 Solver_block: 240 / 240 - Time: 0.743 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.115 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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: 1148 Number of blocks in projector: 1148 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: 224 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 112 Use standard eigh solver. Tree of FC basis block matrices: - (1148, 1131), data: False |-- (112, 112), data: True |-- (176, 176), data: True |-- (212, 207), data: True |-- (212, 207), data: True |-- (212, 207), data: True |-- (224, 222), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 19:22:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:22:37]------------------------- 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): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.088518095000000 -11.444147904999998 0.000000000000000 b 2.088518095000000 11.444147904999998 0.000000000000000 c 0.000000000000000 0.000000000000000 7.645511560000000 Atomic positions (fractional): 1 Cs 0.99566572230565 0.00433427769435 0.75000000000000 132.905 2 Cs 0.82268999539924 0.17731000460076 0.25000000000000 132.905 3 Cs 0.17731000460076 0.82268999539924 0.75000000000000 132.905 4 Cs 0.00433427769435 0.99566572230565 0.25000000000000 132.905 5 Li 0.35142655119473 0.64857344880527 0.75000000000000 6.941 6 Li 0.64857344880527 0.35142655119473 0.25000000000000 6.941 7 Cl 0.20258772967020 0.79741227032980 0.25000000000000 35.453 8 Cl 0.79741227032980 0.20258772967020 0.75000000000000 35.453 9 Cl 0.41174877577086 0.58825122422914 0.49873750750356 35.453 10 Cl 0.58825122422914 0.41174877577086 0.50126249249644 35.453 11 Cl 0.41174877577086 0.58825122422914 0.00126249249644 35.453 12 Cl 0.58825122422914 0.41174877577086 0.99873750750356 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.531108570000001 0.000000000000000 0.000000000000000 b 0.000000000000000 22.888295809999995 0.000000000000000 c 0.000000000000000 0.000000000000000 15.291023120000000 Atomic positions (fractional): 1 Cs 0.16666666666667 0.50433427769435 0.37500000000000 132.905 > 1 2 Cs 0.50000000000000 0.50433427769435 0.37500000000000 132.905 > 1 3 Cs 0.83333333333333 0.50433427769435 0.37500000000000 132.905 > 1 4 Cs 0.16666666666667 0.50433427769435 0.87500000000000 132.905 > 1 5 Cs 0.50000000000000 0.50433427769435 0.87500000000000 132.905 > 1 6 Cs 0.83333333333333 0.50433427769435 0.87500000000000 132.905 > 1 7 Cs 0.16666666666667 0.67731000460076 0.12500000000000 132.905 > 7 8 Cs 0.50000000000000 0.67731000460076 0.12500000000000 132.905 > 7 9 Cs 0.83333333333333 0.67731000460076 0.12500000000000 132.905 > 7 10 Cs 0.16666666666667 0.67731000460076 0.62500000000000 132.905 > 7 11 Cs 0.50000000000000 0.67731000460076 0.62500000000000 132.905 > 7 12 Cs 0.83333333333333 0.67731000460076 0.62500000000000 132.905 > 7 13 Cs 0.00000000000000 0.82268999539924 0.37500000000000 132.905 > 13 14 Cs 0.33333333333333 0.82268999539924 0.37500000000000 132.905 > 13 15 Cs 0.66666666666667 0.82268999539924 0.37500000000000 132.905 > 13 16 Cs 0.00000000000000 0.82268999539924 0.87500000000000 132.905 > 13 17 Cs 0.33333333333333 0.82268999539924 0.87500000000000 132.905 > 13 18 Cs 0.66666666666667 0.82268999539924 0.87500000000000 132.905 > 13 19 Cs 0.00000000000000 0.99566572230565 0.12500000000000 132.905 > 19 20 Cs 0.33333333333333 0.99566572230565 0.12500000000000 132.905 > 19 21 Cs 0.66666666666667 0.99566572230565 0.12500000000000 132.905 > 19 22 Cs 0.00000000000000 0.99566572230565 0.62500000000000 132.905 > 19 23 Cs 0.33333333333333 0.99566572230565 0.62500000000000 132.905 > 19 24 Cs 0.66666666666667 0.99566572230565 0.62500000000000 132.905 > 19 25 Cs 0.00000000000000 0.00433427769435 0.37500000000000 132.905 > 1 26 Cs 0.33333333333333 0.00433427769435 0.37500000000000 132.905 > 1 27 Cs 0.66666666666667 0.00433427769435 0.37500000000000 132.905 > 1 28 Cs 0.00000000000000 0.00433427769435 0.87500000000000 132.905 > 1 29 Cs 0.33333333333333 0.00433427769435 0.87500000000000 132.905 > 1 30 Cs 0.66666666666667 0.00433427769435 0.87500000000000 132.905 > 1 31 Cs 0.00000000000000 0.17731000460076 0.12500000000000 132.905 > 7 32 Cs 0.33333333333333 0.17731000460076 0.12500000000000 132.905 > 7 33 Cs 0.66666666666667 0.17731000460076 0.12500000000000 132.905 > 7 34 Cs 0.00000000000000 0.17731000460076 0.62500000000000 132.905 > 7 35 Cs 0.33333333333333 0.17731000460076 0.62500000000000 132.905 > 7 36 Cs 0.66666666666667 0.17731000460076 0.62500000000000 132.905 > 7 37 Cs 0.16666666666667 0.32268999539924 0.37500000000000 132.905 > 13 38 Cs 0.50000000000000 0.32268999539924 0.37500000000000 132.905 > 13 39 Cs 0.83333333333333 0.32268999539924 0.37500000000000 132.905 > 13 40 Cs 0.16666666666667 0.32268999539924 0.87500000000000 132.905 > 13 41 Cs 0.50000000000000 0.32268999539924 0.87500000000000 132.905 > 13 42 Cs 0.83333333333333 0.32268999539924 0.87500000000000 132.905 > 13 43 Cs 0.16666666666667 0.49566572230565 0.12500000000000 132.905 > 19 44 Cs 0.50000000000000 0.49566572230565 0.12500000000000 132.905 > 19 45 Cs 0.83333333333333 0.49566572230565 0.12500000000000 132.905 > 19 46 Cs 0.16666666666667 0.49566572230565 0.62500000000000 132.905 > 19 47 Cs 0.50000000000000 0.49566572230565 0.62500000000000 132.905 > 19 48 Cs 0.83333333333333 0.49566572230565 0.62500000000000 132.905 > 19 49 Li 0.00000000000000 0.64857344880527 0.37500000000000 6.941 > 49 50 Li 0.33333333333333 0.64857344880527 0.37500000000000 6.941 > 49 51 Li 0.66666666666667 0.64857344880527 0.37500000000000 6.941 > 49 52 Li 0.00000000000000 0.64857344880527 0.87500000000000 6.941 > 49 53 Li 0.33333333333333 0.64857344880527 0.87500000000000 6.941 > 49 54 Li 0.66666666666667 0.64857344880527 0.87500000000000 6.941 > 49 55 Li 0.16666666666667 0.85142655119473 0.12500000000000 6.941 > 55 56 Li 0.50000000000000 0.85142655119473 0.12500000000000 6.941 > 55 57 Li 0.83333333333333 0.85142655119473 0.12500000000000 6.941 > 55 58 Li 0.16666666666667 0.85142655119473 0.62500000000000 6.941 > 55 59 Li 0.50000000000000 0.85142655119473 0.62500000000000 6.941 > 55 60 Li 0.83333333333333 0.85142655119473 0.62500000000000 6.941 > 55 61 Li 0.16666666666667 0.14857344880527 0.37500000000000 6.941 > 49 62 Li 0.50000000000000 0.14857344880527 0.37500000000000 6.941 > 49 63 Li 0.83333333333333 0.14857344880527 0.37500000000000 6.941 > 49 64 Li 0.16666666666667 0.14857344880527 0.87500000000000 6.941 > 49 65 Li 0.50000000000000 0.14857344880527 0.87500000000000 6.941 > 49 66 Li 0.83333333333333 0.14857344880527 0.87500000000000 6.941 > 49 67 Li 0.00000000000000 0.35142655119472 0.12500000000000 6.941 > 55 68 Li 0.33333333333333 0.35142655119472 0.12500000000000 6.941 > 55 69 Li 0.66666666666667 0.35142655119472 0.12500000000000 6.941 > 55 70 Li 0.00000000000000 0.35142655119472 0.62500000000000 6.941 > 55 71 Li 0.33333333333333 0.35142655119472 0.62500000000000 6.941 > 55 72 Li 0.66666666666667 0.35142655119472 0.62500000000000 6.941 > 55 73 Cl 0.00000000000000 0.79741227032980 0.12500000000000 35.453 > 73 74 Cl 0.33333333333333 0.79741227032980 0.12500000000000 35.453 > 73 75 Cl 0.66666666666667 0.79741227032980 0.12500000000000 35.453 > 73 76 Cl 0.00000000000000 0.79741227032980 0.62500000000000 35.453 > 73 77 Cl 0.33333333333333 0.79741227032980 0.62500000000000 35.453 > 73 78 Cl 0.66666666666667 0.79741227032980 0.62500000000000 35.453 > 73 79 Cl 0.16666666666667 0.70258772967020 0.37500000000000 35.453 > 79 80 Cl 0.50000000000000 0.70258772967020 0.37500000000000 35.453 > 79 81 Cl 0.83333333333333 0.70258772967020 0.37500000000000 35.453 > 79 82 Cl 0.16666666666667 0.70258772967020 0.87500000000000 35.453 > 79 83 Cl 0.50000000000000 0.70258772967020 0.87500000000000 35.453 > 79 84 Cl 0.83333333333333 0.70258772967020 0.87500000000000 35.453 > 79 85 Cl 0.00000000000000 0.58825122422914 0.24936875375178 35.453 > 85 86 Cl 0.33333333333333 0.58825122422914 0.24936875375178 35.453 > 85 87 Cl 0.66666666666667 0.58825122422914 0.24936875375178 35.453 > 85 88 Cl 0.00000000000000 0.58825122422914 0.74936875375178 35.453 > 85 89 Cl 0.33333333333333 0.58825122422914 0.74936875375178 35.453 > 85 90 Cl 0.66666666666667 0.58825122422914 0.74936875375178 35.453 > 85 91 Cl 0.16666666666667 0.91174877577086 0.25063124624822 35.453 > 91 92 Cl 0.50000000000000 0.91174877577086 0.25063124624822 35.453 > 91 93 Cl 0.83333333333333 0.91174877577086 0.25063124624822 35.453 > 91 94 Cl 0.16666666666667 0.91174877577086 0.75063124624822 35.453 > 91 95 Cl 0.50000000000000 0.91174877577086 0.75063124624822 35.453 > 91 96 Cl 0.83333333333333 0.91174877577086 0.75063124624822 35.453 > 91 97 Cl 0.00000000000000 0.58825122422914 0.00063124624822 35.453 > 97 98 Cl 0.33333333333333 0.58825122422914 0.00063124624822 35.453 > 97 99 Cl 0.66666666666667 0.58825122422914 0.00063124624822 35.453 > 97 100 Cl 0.00000000000000 0.58825122422914 0.50063124624822 35.453 > 97 101 Cl 0.33333333333333 0.58825122422914 0.50063124624822 35.453 > 97 102 Cl 0.66666666666667 0.58825122422914 0.50063124624822 35.453 > 97 103 Cl 0.16666666666667 0.91174877577086 0.49936875375178 35.453 > 103 104 Cl 0.50000000000000 0.91174877577086 0.49936875375178 35.453 > 103 105 Cl 0.83333333333333 0.91174877577086 0.49936875375178 35.453 > 103 106 Cl 0.16666666666667 0.91174877577086 0.99936875375178 35.453 > 103 107 Cl 0.50000000000000 0.91174877577086 0.99936875375178 35.453 > 103 108 Cl 0.83333333333333 0.91174877577086 0.99936875375178 35.453 > 103 109 Cl 0.16666666666667 0.29741227032980 0.12500000000000 35.453 > 73 110 Cl 0.50000000000000 0.29741227032980 0.12500000000000 35.453 > 73 111 Cl 0.83333333333333 0.29741227032980 0.12500000000000 35.453 > 73 112 Cl 0.16666666666667 0.29741227032980 0.62500000000000 35.453 > 73 113 Cl 0.50000000000000 0.29741227032980 0.62500000000000 35.453 > 73 114 Cl 0.83333333333333 0.29741227032980 0.62500000000000 35.453 > 73 115 Cl 0.00000000000000 0.20258772967020 0.37500000000000 35.453 > 79 116 Cl 0.33333333333333 0.20258772967020 0.37500000000000 35.453 > 79 117 Cl 0.66666666666667 0.20258772967020 0.37500000000000 35.453 > 79 118 Cl 0.00000000000000 0.20258772967020 0.87500000000000 35.453 > 79 119 Cl 0.33333333333333 0.20258772967020 0.87500000000000 35.453 > 79 120 Cl 0.66666666666667 0.20258772967020 0.87500000000000 35.453 > 79 121 Cl 0.16666666666667 0.08825122422914 0.24936875375178 35.453 > 85 122 Cl 0.50000000000000 0.08825122422914 0.24936875375178 35.453 > 85 123 Cl 0.83333333333333 0.08825122422914 0.24936875375178 35.453 > 85 124 Cl 0.16666666666667 0.08825122422914 0.74936875375178 35.453 > 85 125 Cl 0.50000000000000 0.08825122422914 0.74936875375178 35.453 > 85 126 Cl 0.83333333333333 0.08825122422914 0.74936875375178 35.453 > 85 127 Cl 0.00000000000000 0.41174877577086 0.25063124624822 35.453 > 91 128 Cl 0.33333333333333 0.41174877577086 0.25063124624822 35.453 > 91 129 Cl 0.66666666666667 0.41174877577086 0.25063124624822 35.453 > 91 130 Cl 0.00000000000000 0.41174877577086 0.75063124624822 35.453 > 91 131 Cl 0.33333333333333 0.41174877577086 0.75063124624822 35.453 > 91 132 Cl 0.66666666666667 0.41174877577086 0.75063124624822 35.453 > 91 133 Cl 0.16666666666667 0.08825122422914 0.00063124624822 35.453 > 97 134 Cl 0.50000000000000 0.08825122422914 0.00063124624822 35.453 > 97 135 Cl 0.83333333333333 0.08825122422914 0.00063124624822 35.453 > 97 136 Cl 0.16666666666667 0.08825122422914 0.50063124624822 35.453 > 97 137 Cl 0.50000000000000 0.08825122422914 0.50063124624822 35.453 > 97 138 Cl 0.83333333333333 0.08825122422914 0.50063124624822 35.453 > 97 139 Cl 0.00000000000000 0.41174877577086 0.49936875375178 35.453 > 103 140 Cl 0.33333333333333 0.41174877577086 0.49936875375178 35.453 > 103 141 Cl 0.66666666666667 0.41174877577086 0.49936875375178 35.453 > 103 142 Cl 0.00000000000000 0.41174877577086 0.99936875375178 35.453 > 103 143 Cl 0.33333333333333 0.41174877577086 0.99936875375178 35.453 > 103 144 Cl 0.66666666666667 0.41174877577086 0.99936875375178 35.453 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7738189 0.0000000 0.0000000 0.0000000 2.7655956 0.0000000 0.0000000 0.0000000 2.7394750 -------------------------- Born effective charges -------------------------- 1 Cs 1.3807921 0.0000000 0.0000000 0.0000000 1.2839452 0.0000000 0.0000000 0.0000000 1.2855066 2 Cs 1.2421606 0.0000000 0.0000000 0.0000000 1.4064181 0.0000000 0.0000000 0.0000000 1.2804047 3 Cs 1.2421606 0.0000000 0.0000000 0.0000000 1.4064181 0.0000000 0.0000000 0.0000000 1.2804047 4 Cs 1.3807921 0.0000000 0.0000000 0.0000000 1.2839452 0.0000000 0.0000000 0.0000000 1.2855066 5 Li 1.0689280 0.0000000 0.0000000 0.0000000 1.0041145 0.0000000 0.0000000 0.0000000 0.9969438 6 Li 1.0689280 0.0000000 0.0000000 0.0000000 1.0041145 0.0000000 0.0000000 0.0000000 0.9969438 7 Cl -1.3433989 0.0000000 0.0000000 0.0000000 -1.2724557 0.0000000 0.0000000 0.0000000 -0.9519656 8 Cl -1.3433989 0.0000000 0.0000000 0.0000000 -1.2724557 0.0000000 0.0000000 0.0000000 -0.9519656 9 Cl -1.1742409 0.0000000 0.0000000 0.0000000 -1.2110110 -0.0008946 0.0000000 0.0101985 -1.3054448 10 Cl -1.1742409 0.0000000 0.0000000 0.0000000 -1.2110110 -0.0008946 0.0000000 0.0101985 -1.3054448 11 Cl -1.1742409 0.0000000 0.0000000 0.0000000 -1.2110110 0.0008946 0.0000000 -0.0101985 -1.3054448 12 Cl -1.1742409 0.0000000 0.0000000 0.0000000 -1.2110110 0.0008946 0.0000000 -0.0101985 -1.3054448 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (zyz) -0.00000003 (zyz) -0.00000003 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) 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 19:22:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:22:57]------------------------- 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): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.088518095000000 -11.444147904999998 0.000000000000000 b 2.088518095000000 11.444147904999998 0.000000000000000 c 0.000000000000000 0.000000000000000 7.645511560000000 Atomic positions (fractional): 1 Cs 0.99566572230565 0.00433427769435 0.75000000000000 132.905 2 Cs 0.82268999539924 0.17731000460076 0.25000000000000 132.905 3 Cs 0.17731000460076 0.82268999539924 0.75000000000000 132.905 4 Cs 0.00433427769435 0.99566572230565 0.25000000000000 132.905 5 Li 0.35142655119473 0.64857344880527 0.75000000000000 6.941 6 Li 0.64857344880527 0.35142655119473 0.25000000000000 6.941 7 Cl 0.20258772967020 0.79741227032980 0.25000000000000 35.453 8 Cl 0.79741227032980 0.20258772967020 0.75000000000000 35.453 9 Cl 0.41174877577086 0.58825122422914 0.49873750750356 35.453 10 Cl 0.58825122422914 0.41174877577086 0.50126249249644 35.453 11 Cl 0.41174877577086 0.58825122422914 0.00126249249644 35.453 12 Cl 0.58825122422914 0.41174877577086 0.99873750750356 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.531108570000001 0.000000000000000 0.000000000000000 b 0.000000000000000 22.888295809999995 0.000000000000000 c 0.000000000000000 0.000000000000000 15.291023120000000 Atomic positions (fractional): 1 Cs 0.16666666666667 0.50433427769435 0.37500000000000 132.905 > 1 2 Cs 0.50000000000000 0.50433427769435 0.37500000000000 132.905 > 1 3 Cs 0.83333333333333 0.50433427769435 0.37500000000000 132.905 > 1 4 Cs 0.16666666666667 0.50433427769435 0.87500000000000 132.905 > 1 5 Cs 0.50000000000000 0.50433427769435 0.87500000000000 132.905 > 1 6 Cs 0.83333333333333 0.50433427769435 0.87500000000000 132.905 > 1 7 Cs 0.16666666666667 0.67731000460076 0.12500000000000 132.905 > 7 8 Cs 0.50000000000000 0.67731000460076 0.12500000000000 132.905 > 7 9 Cs 0.83333333333333 0.67731000460076 0.12500000000000 132.905 > 7 10 Cs 0.16666666666667 0.67731000460076 0.62500000000000 132.905 > 7 11 Cs 0.50000000000000 0.67731000460076 0.62500000000000 132.905 > 7 12 Cs 0.83333333333333 0.67731000460076 0.62500000000000 132.905 > 7 13 Cs 0.00000000000000 0.82268999539924 0.37500000000000 132.905 > 13 14 Cs 0.33333333333333 0.82268999539924 0.37500000000000 132.905 > 13 15 Cs 0.66666666666667 0.82268999539924 0.37500000000000 132.905 > 13 16 Cs 0.00000000000000 0.82268999539924 0.87500000000000 132.905 > 13 17 Cs 0.33333333333333 0.82268999539924 0.87500000000000 132.905 > 13 18 Cs 0.66666666666667 0.82268999539924 0.87500000000000 132.905 > 13 19 Cs 0.00000000000000 0.99566572230565 0.12500000000000 132.905 > 19 20 Cs 0.33333333333333 0.99566572230565 0.12500000000000 132.905 > 19 21 Cs 0.66666666666667 0.99566572230565 0.12500000000000 132.905 > 19 22 Cs 0.00000000000000 0.99566572230565 0.62500000000000 132.905 > 19 23 Cs 0.33333333333333 0.99566572230565 0.62500000000000 132.905 > 19 24 Cs 0.66666666666667 0.99566572230565 0.62500000000000 132.905 > 19 25 Cs 0.00000000000000 0.00433427769435 0.37500000000000 132.905 > 1 26 Cs 0.33333333333333 0.00433427769435 0.37500000000000 132.905 > 1 27 Cs 0.66666666666667 0.00433427769435 0.37500000000000 132.905 > 1 28 Cs 0.00000000000000 0.00433427769435 0.87500000000000 132.905 > 1 29 Cs 0.33333333333333 0.00433427769435 0.87500000000000 132.905 > 1 30 Cs 0.66666666666667 0.00433427769435 0.87500000000000 132.905 > 1 31 Cs 0.00000000000000 0.17731000460076 0.12500000000000 132.905 > 7 32 Cs 0.33333333333333 0.17731000460076 0.12500000000000 132.905 > 7 33 Cs 0.66666666666667 0.17731000460076 0.12500000000000 132.905 > 7 34 Cs 0.00000000000000 0.17731000460076 0.62500000000000 132.905 > 7 35 Cs 0.33333333333333 0.17731000460076 0.62500000000000 132.905 > 7 36 Cs 0.66666666666667 0.17731000460076 0.62500000000000 132.905 > 7 37 Cs 0.16666666666667 0.32268999539924 0.37500000000000 132.905 > 13 38 Cs 0.50000000000000 0.32268999539924 0.37500000000000 132.905 > 13 39 Cs 0.83333333333333 0.32268999539924 0.37500000000000 132.905 > 13 40 Cs 0.16666666666667 0.32268999539924 0.87500000000000 132.905 > 13 41 Cs 0.50000000000000 0.32268999539924 0.87500000000000 132.905 > 13 42 Cs 0.83333333333333 0.32268999539924 0.87500000000000 132.905 > 13 43 Cs 0.16666666666667 0.49566572230565 0.12500000000000 132.905 > 19 44 Cs 0.50000000000000 0.49566572230565 0.12500000000000 132.905 > 19 45 Cs 0.83333333333333 0.49566572230565 0.12500000000000 132.905 > 19 46 Cs 0.16666666666667 0.49566572230565 0.62500000000000 132.905 > 19 47 Cs 0.50000000000000 0.49566572230565 0.62500000000000 132.905 > 19 48 Cs 0.83333333333333 0.49566572230565 0.62500000000000 132.905 > 19 49 Li 0.00000000000000 0.64857344880527 0.37500000000000 6.941 > 49 50 Li 0.33333333333333 0.64857344880527 0.37500000000000 6.941 > 49 51 Li 0.66666666666667 0.64857344880527 0.37500000000000 6.941 > 49 52 Li 0.00000000000000 0.64857344880527 0.87500000000000 6.941 > 49 53 Li 0.33333333333333 0.64857344880527 0.87500000000000 6.941 > 49 54 Li 0.66666666666667 0.64857344880527 0.87500000000000 6.941 > 49 55 Li 0.16666666666667 0.85142655119473 0.12500000000000 6.941 > 55 56 Li 0.50000000000000 0.85142655119473 0.12500000000000 6.941 > 55 57 Li 0.83333333333333 0.85142655119473 0.12500000000000 6.941 > 55 58 Li 0.16666666666667 0.85142655119473 0.62500000000000 6.941 > 55 59 Li 0.50000000000000 0.85142655119473 0.62500000000000 6.941 > 55 60 Li 0.83333333333333 0.85142655119473 0.62500000000000 6.941 > 55 61 Li 0.16666666666667 0.14857344880527 0.37500000000000 6.941 > 49 62 Li 0.50000000000000 0.14857344880527 0.37500000000000 6.941 > 49 63 Li 0.83333333333333 0.14857344880527 0.37500000000000 6.941 > 49 64 Li 0.16666666666667 0.14857344880527 0.87500000000000 6.941 > 49 65 Li 0.50000000000000 0.14857344880527 0.87500000000000 6.941 > 49 66 Li 0.83333333333333 0.14857344880527 0.87500000000000 6.941 > 49 67 Li 0.00000000000000 0.35142655119472 0.12500000000000 6.941 > 55 68 Li 0.33333333333333 0.35142655119472 0.12500000000000 6.941 > 55 69 Li 0.66666666666667 0.35142655119472 0.12500000000000 6.941 > 55 70 Li 0.00000000000000 0.35142655119472 0.62500000000000 6.941 > 55 71 Li 0.33333333333333 0.35142655119472 0.62500000000000 6.941 > 55 72 Li 0.66666666666667 0.35142655119472 0.62500000000000 6.941 > 55 73 Cl 0.00000000000000 0.79741227032980 0.12500000000000 35.453 > 73 74 Cl 0.33333333333333 0.79741227032980 0.12500000000000 35.453 > 73 75 Cl 0.66666666666667 0.79741227032980 0.12500000000000 35.453 > 73 76 Cl 0.00000000000000 0.79741227032980 0.62500000000000 35.453 > 73 77 Cl 0.33333333333333 0.79741227032980 0.62500000000000 35.453 > 73 78 Cl 0.66666666666667 0.79741227032980 0.62500000000000 35.453 > 73 79 Cl 0.16666666666667 0.70258772967020 0.37500000000000 35.453 > 79 80 Cl 0.50000000000000 0.70258772967020 0.37500000000000 35.453 > 79 81 Cl 0.83333333333333 0.70258772967020 0.37500000000000 35.453 > 79 82 Cl 0.16666666666667 0.70258772967020 0.87500000000000 35.453 > 79 83 Cl 0.50000000000000 0.70258772967020 0.87500000000000 35.453 > 79 84 Cl 0.83333333333333 0.70258772967020 0.87500000000000 35.453 > 79 85 Cl 0.00000000000000 0.58825122422914 0.24936875375178 35.453 > 85 86 Cl 0.33333333333333 0.58825122422914 0.24936875375178 35.453 > 85 87 Cl 0.66666666666667 0.58825122422914 0.24936875375178 35.453 > 85 88 Cl 0.00000000000000 0.58825122422914 0.74936875375178 35.453 > 85 89 Cl 0.33333333333333 0.58825122422914 0.74936875375178 35.453 > 85 90 Cl 0.66666666666667 0.58825122422914 0.74936875375178 35.453 > 85 91 Cl 0.16666666666667 0.91174877577086 0.25063124624822 35.453 > 91 92 Cl 0.50000000000000 0.91174877577086 0.25063124624822 35.453 > 91 93 Cl 0.83333333333333 0.91174877577086 0.25063124624822 35.453 > 91 94 Cl 0.16666666666667 0.91174877577086 0.75063124624822 35.453 > 91 95 Cl 0.50000000000000 0.91174877577086 0.75063124624822 35.453 > 91 96 Cl 0.83333333333333 0.91174877577086 0.75063124624822 35.453 > 91 97 Cl 0.00000000000000 0.58825122422914 0.00063124624822 35.453 > 97 98 Cl 0.33333333333333 0.58825122422914 0.00063124624822 35.453 > 97 99 Cl 0.66666666666667 0.58825122422914 0.00063124624822 35.453 > 97 100 Cl 0.00000000000000 0.58825122422914 0.50063124624822 35.453 > 97 101 Cl 0.33333333333333 0.58825122422914 0.50063124624822 35.453 > 97 102 Cl 0.66666666666667 0.58825122422914 0.50063124624822 35.453 > 97 103 Cl 0.16666666666667 0.91174877577086 0.49936875375178 35.453 > 103 104 Cl 0.50000000000000 0.91174877577086 0.49936875375178 35.453 > 103 105 Cl 0.83333333333333 0.91174877577086 0.49936875375178 35.453 > 103 106 Cl 0.16666666666667 0.91174877577086 0.99936875375178 35.453 > 103 107 Cl 0.50000000000000 0.91174877577086 0.99936875375178 35.453 > 103 108 Cl 0.83333333333333 0.91174877577086 0.99936875375178 35.453 > 103 109 Cl 0.16666666666667 0.29741227032980 0.12500000000000 35.453 > 73 110 Cl 0.50000000000000 0.29741227032980 0.12500000000000 35.453 > 73 111 Cl 0.83333333333333 0.29741227032980 0.12500000000000 35.453 > 73 112 Cl 0.16666666666667 0.29741227032980 0.62500000000000 35.453 > 73 113 Cl 0.50000000000000 0.29741227032980 0.62500000000000 35.453 > 73 114 Cl 0.83333333333333 0.29741227032980 0.62500000000000 35.453 > 73 115 Cl 0.00000000000000 0.20258772967020 0.37500000000000 35.453 > 79 116 Cl 0.33333333333333 0.20258772967020 0.37500000000000 35.453 > 79 117 Cl 0.66666666666667 0.20258772967020 0.37500000000000 35.453 > 79 118 Cl 0.00000000000000 0.20258772967020 0.87500000000000 35.453 > 79 119 Cl 0.33333333333333 0.20258772967020 0.87500000000000 35.453 > 79 120 Cl 0.66666666666667 0.20258772967020 0.87500000000000 35.453 > 79 121 Cl 0.16666666666667 0.08825122422914 0.24936875375178 35.453 > 85 122 Cl 0.50000000000000 0.08825122422914 0.24936875375178 35.453 > 85 123 Cl 0.83333333333333 0.08825122422914 0.24936875375178 35.453 > 85 124 Cl 0.16666666666667 0.08825122422914 0.74936875375178 35.453 > 85 125 Cl 0.50000000000000 0.08825122422914 0.74936875375178 35.453 > 85 126 Cl 0.83333333333333 0.08825122422914 0.74936875375178 35.453 > 85 127 Cl 0.00000000000000 0.41174877577086 0.25063124624822 35.453 > 91 128 Cl 0.33333333333333 0.41174877577086 0.25063124624822 35.453 > 91 129 Cl 0.66666666666667 0.41174877577086 0.25063124624822 35.453 > 91 130 Cl 0.00000000000000 0.41174877577086 0.75063124624822 35.453 > 91 131 Cl 0.33333333333333 0.41174877577086 0.75063124624822 35.453 > 91 132 Cl 0.66666666666667 0.41174877577086 0.75063124624822 35.453 > 91 133 Cl 0.16666666666667 0.08825122422914 0.00063124624822 35.453 > 97 134 Cl 0.50000000000000 0.08825122422914 0.00063124624822 35.453 > 97 135 Cl 0.83333333333333 0.08825122422914 0.00063124624822 35.453 > 97 136 Cl 0.16666666666667 0.08825122422914 0.50063124624822 35.453 > 97 137 Cl 0.50000000000000 0.08825122422914 0.50063124624822 35.453 > 97 138 Cl 0.83333333333333 0.08825122422914 0.50063124624822 35.453 > 97 139 Cl 0.00000000000000 0.41174877577086 0.49936875375178 35.453 > 103 140 Cl 0.33333333333333 0.41174877577086 0.49936875375178 35.453 > 103 141 Cl 0.66666666666667 0.41174877577086 0.49936875375178 35.453 > 103 142 Cl 0.00000000000000 0.41174877577086 0.99936875375178 35.453 > 103 143 Cl 0.33333333333333 0.41174877577086 0.99936875375178 35.453 > 103 144 Cl 0.66666666666667 0.41174877577086 0.99936875375178 35.453 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7738189 0.0000000 0.0000000 0.0000000 2.7655956 0.0000000 0.0000000 0.0000000 2.7394750 -------------------------- Born effective charges -------------------------- 1 Cs 1.3807921 0.0000000 0.0000000 0.0000000 1.2839452 0.0000000 0.0000000 0.0000000 1.2855066 2 Cs 1.2421606 0.0000000 0.0000000 0.0000000 1.4064181 0.0000000 0.0000000 0.0000000 1.2804047 3 Cs 1.2421606 0.0000000 0.0000000 0.0000000 1.4064181 0.0000000 0.0000000 0.0000000 1.2804047 4 Cs 1.3807921 0.0000000 0.0000000 0.0000000 1.2839452 0.0000000 0.0000000 0.0000000 1.2855066 5 Li 1.0689280 0.0000000 0.0000000 0.0000000 1.0041145 0.0000000 0.0000000 0.0000000 0.9969438 6 Li 1.0689280 0.0000000 0.0000000 0.0000000 1.0041145 0.0000000 0.0000000 0.0000000 0.9969438 7 Cl -1.3433989 0.0000000 0.0000000 0.0000000 -1.2724557 0.0000000 0.0000000 0.0000000 -0.9519656 8 Cl -1.3433989 0.0000000 0.0000000 0.0000000 -1.2724557 0.0000000 0.0000000 0.0000000 -0.9519656 9 Cl -1.1742409 0.0000000 0.0000000 0.0000000 -1.2110110 -0.0008946 0.0000000 0.0101985 -1.3054448 10 Cl -1.1742409 0.0000000 0.0000000 0.0000000 -1.2110110 -0.0008946 0.0000000 0.0101985 -1.3054448 11 Cl -1.1742409 0.0000000 0.0000000 0.0000000 -1.2110110 0.0008946 0.0000000 -0.0101985 -1.3054448 12 Cl -1.1742409 0.0000000 0.0000000 0.0000000 -1.2110110 0.0008946 0.0000000 -0.0101985 -1.3054448 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (zyz) -0.00000003 (zyz) -0.00000003 (zzy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 303, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/172) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.806 ( 0.000 0.000 0.000) 0.000 0.901 ( 0.000 0.000 0.000) 0.000 1.197 ( 0.000 0.000 0.000) 0.000 1.342 ( 0.000 0.000 0.000) 0.000 1.362 ( 0.000 0.000 0.000) 0.000 1.364 ( 0.000 0.000 0.000) 0.000 1.451 ( 0.000 0.000 0.000) 0.000 1.490 ( 0.000 0.000 0.000) 0.000 1.748 ( 0.000 0.000 0.000) 0.000 2.104 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 2.557 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 0.000) 0.000 2.900 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.256 ( 0.000 0.000 0.000) 0.000 3.374 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.578 ( 0.000 0.000 0.000) 0.000 3.890 ( 0.000 0.000 0.000) 0.000 4.423 ( 0.000 0.000 0.000) 0.000 4.493 ( 0.000 0.000 0.000) 0.000 5.010 ( 0.000 0.000 0.000) 0.000 5.286 ( 0.000 0.000 0.000) 0.000 8.150 ( 0.000 0.000 0.000) 0.000 8.157 ( 0.000 0.000 0.000) 0.000 10.048 ( 0.000 0.000 0.000) 0.000 10.125 ( 0.000 0.000 0.000) 0.000 10.368 ( 0.000 0.000 0.000) 0.000 10.906 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/172) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( 14.963 -1.666 0.000) 15.056 0.369 ( 19.392 5.913 0.000) 20.274 0.608 ( 27.698 -9.809 0.000) 29.383 0.807 ( 0.192 0.293 0.000) 0.350 0.909 ( 0.830 -0.353 0.000) 0.902 1.237 ( 3.840 2.190 0.000) 4.421 1.337 ( 0.465 3.482 0.000) 3.513 1.396 ( 3.018 -0.219 0.000) 3.026 1.422 ( 5.290 -0.034 0.000) 5.290 1.477 ( 2.013 -2.582 0.000) 3.274 1.481 ( -0.659 0.532 0.000) 0.847 1.750 ( 0.430 0.723 0.000) 0.841 1.998 ( -6.402 1.473 0.000) 6.569 2.392 ( -2.858 0.123 0.000) 2.861 2.560 ( 13.455 0.283 0.000) 13.458 2.836 ( 4.251 12.553 0.000) 13.253 2.925 ( 4.550 -0.025 0.000) 4.550 2.934 ( -2.855 -13.130 0.000) 13.437 3.050 ( 3.995 0.010 0.000) 3.995 3.100 ( 5.657 -2.022 0.000) 6.007 3.177 ( -0.758 0.140 0.000) 0.771 3.243 ( -0.968 0.545 0.000) 1.111 3.454 ( 7.685 0.286 0.000) 7.691 3.557 ( -2.135 -0.571 0.000) 2.210 3.869 ( -1.872 0.592 0.000) 1.963 4.039 ( 3.206 2.440 0.000) 4.029 4.387 ( -3.330 0.479 0.000) 3.364 4.451 ( -5.344 -2.658 0.000) 5.968 4.996 ( -1.416 -0.528 0.000) 1.512 5.242 ( -4.174 -0.264 0.000) 4.183 8.275 ( 10.993 -0.259 0.000) 10.996 9.328 ( 6.703 31.649 0.000) 32.351 10.043 ( -0.508 -0.009 0.000) 0.508 10.119 ( -0.478 0.084 0.000) 0.486 10.360 ( -10.442 -24.976 0.000) 27.071 10.816 ( -8.613 0.186 0.000) 8.615 ======================= Grid point 2 (3/172) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 11.652 -1.096 0.000) 11.704 0.724 ( 17.862 4.920 0.000) 18.528 0.808 ( -0.103 0.342 0.000) 0.358 0.943 ( 2.703 -1.038 0.000) 2.895 1.148 ( 21.648 -7.284 0.000) 22.840 1.291 ( 2.470 6.920 0.000) 7.347 1.351 ( 2.586 3.320 0.000) 4.209 1.461 ( 2.413 -0.261 0.000) 2.427 1.485 ( 2.660 -1.649 0.000) 3.129 1.544 ( 3.742 -2.267 0.000) 4.375 1.545 ( 6.306 -0.526 0.000) 6.328 1.765 ( 1.306 0.556 0.000) 1.419 1.914 ( -1.254 -0.700 0.000) 1.436 2.325 ( -3.514 0.104 0.000) 3.516 2.838 ( 9.815 0.997 0.000) 9.866 2.849 ( 3.742 0.345 0.000) 3.758 2.943 ( 0.707 -3.930 0.000) 3.994 3.029 ( 4.242 -0.172 0.000) 4.246 3.113 ( 0.493 0.777 0.000) 0.921 3.173 ( 1.387 -0.160 0.000) 1.397 3.246 ( 3.090 0.502 0.000) 3.130 3.289 ( 12.035 3.329 0.000) 12.487 3.502 ( -3.579 -1.382 0.000) 3.836 3.664 ( 13.112 0.569 0.000) 13.124 3.816 ( -3.058 0.791 0.000) 3.158 4.111 ( 3.814 -1.489 0.000) 4.095 4.305 ( -3.851 0.673 0.000) 3.910 4.324 ( -7.272 0.063 0.000) 7.272 4.964 ( -1.778 -0.666 0.000) 1.898 5.140 ( -5.580 -0.128 0.000) 5.581 8.552 ( 15.256 -1.244 0.000) 15.307 9.348 ( 3.401 14.071 0.000) 14.476 10.030 ( -0.776 -0.087 0.000) 0.781 10.107 ( -0.632 0.053 0.000) 0.635 10.200 ( -11.696 -10.788 0.000) 15.911 10.586 ( -13.496 0.337 0.000) 13.500 ======================= Grid point 3 (4/172) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 3.771 -0.322 0.000) 3.785 0.798 ( -0.859 0.104 0.000) 0.865 1.025 ( 13.112 3.789 0.000) 13.649 1.040 ( 6.439 -1.096 0.000) 6.532 1.254 ( 0.122 10.080 0.000) 10.081 1.411 ( 2.803 -4.041 0.000) 4.917 1.430 ( 6.334 1.499 0.000) 6.509 1.552 ( 1.797 -5.897 0.000) 6.164 1.638 ( 4.887 -1.282 0.000) 5.053 1.646 ( 10.127 0.707 0.000) 10.152 1.686 ( 10.433 -2.385 0.000) 10.703 1.804 ( 3.555 -1.581 0.000) 3.891 1.938 ( 2.298 -1.221 0.000) 2.602 2.262 ( -2.554 -0.112 0.000) 2.556 2.852 ( 1.288 -0.085 0.000) 1.290 2.994 ( 3.522 -2.417 0.000) 4.272 3.039 ( -2.344 0.729 0.000) 2.455 3.068 ( 8.367 -0.367 0.000) 8.375 3.070 ( -3.376 -0.088 0.000) 3.377 3.261 ( 5.678 -0.078 0.000) 5.678 3.352 ( 6.170 -0.098 0.000) 6.171 3.438 ( -2.641 -2.008 0.000) 3.317 3.482 ( 7.210 4.618 0.000) 8.562 3.749 ( -3.188 0.503 0.000) 3.227 3.941 ( 13.641 2.165 0.000) 13.812 4.160 ( -2.934 -0.333 0.000) 2.953 4.194 ( -1.540 -1.442 0.000) 2.110 4.289 ( 2.649 -2.332 0.000) 3.529 4.947 ( 0.322 -0.767 0.000) 0.832 5.042 ( -3.639 0.012 0.000) 3.639 8.853 ( 13.803 -1.931 0.000) 13.937 9.356 ( 1.396 7.317 0.000) 7.449 9.991 ( -11.877 -5.997 0.000) 13.305 10.015 ( -0.726 -0.226 0.000) 0.760 10.096 ( -0.453 -0.069 0.000) 0.458 10.303 ( -14.256 -0.003 0.000) 14.256 ======================= Grid point 4 (5/172) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -1.513 -0.191 0.000) 1.525 0.777 ( -0.349 -0.144 0.000) 0.377 1.171 ( 5.631 -0.376 0.000) 5.644 1.177 ( 3.665 1.390 0.000) 3.920 1.271 ( 4.260 5.890 0.000) 7.269 1.496 ( 4.537 -5.762 0.000) 7.334 1.582 ( 8.595 0.475 0.000) 8.608 1.586 ( -0.036 -5.512 0.000) 5.512 1.739 ( 4.588 -0.780 0.000) 4.653 1.753 ( 3.247 0.172 0.000) 3.252 1.799 ( 1.853 0.047 0.000) 1.854 1.964 ( 2.823 2.011 0.000) 3.466 2.026 ( 9.998 -2.040 0.000) 10.204 2.229 ( -0.819 -0.371 0.000) 0.899 2.906 ( 4.137 0.138 0.000) 4.139 2.961 ( -4.409 1.381 0.000) 4.620 3.008 ( -2.995 -0.991 0.000) 3.155 3.092 ( 5.154 -1.961 0.000) 5.515 3.175 ( 2.366 -0.611 0.000) 2.444 3.299 ( -2.172 -2.022 0.000) 2.968 3.466 ( 4.954 -0.284 0.000) 4.962 3.471 ( 4.970 -0.461 0.000) 4.992 3.522 ( -1.377 1.712 0.000) 2.197 3.691 ( -2.466 0.069 0.000) 2.467 4.067 ( -2.075 2.248 0.000) 3.059 4.134 ( 5.654 2.203 0.000) 6.068 4.262 ( 4.145 -1.993 0.000) 4.599 4.367 ( 2.264 -4.238 0.000) 4.804 5.000 ( 4.607 -0.342 0.000) 4.619 5.026 ( 2.753 -0.155 0.000) 2.758 9.108 ( 11.171 -1.549 0.000) 11.278 9.357 ( 0.925 3.329 0.000) 3.455 9.784 ( -10.439 -3.660 0.000) 11.062 10.004 ( -0.474 -0.318 0.000) 0.571 10.029 ( -13.295 -0.597 0.000) 13.308 10.090 ( -0.181 -0.157 0.000) 0.240 ======================= Grid point 5 (6/172) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -1.269 -0.243 0.000) 1.292 0.762 ( -0.821 -0.070 0.000) 0.824 1.238 ( 2.969 0.453 0.000) 3.003 1.257 ( 2.912 -0.090 0.000) 2.913 1.320 ( 1.287 -0.973 0.000) 1.613 1.579 ( 0.818 -3.979 0.000) 4.063 1.641 ( 4.806 -3.175 0.000) 5.760 1.736 ( 6.304 0.970 0.000) 6.379 1.783 ( 0.367 0.610 0.000) 0.712 1.813 ( -1.028 -0.485 0.000) 1.137 1.816 ( 2.508 -1.086 0.000) 2.733 1.972 ( 0.179 2.893 0.000) 2.899 2.194 ( 5.773 1.240 0.000) 5.905 2.229 ( 0.474 -0.337 0.000) 0.582 2.874 ( -3.438 0.745 0.000) 3.518 2.959 ( -2.080 -0.645 0.000) 2.178 3.006 ( 5.464 0.110 0.000) 5.465 3.180 ( -1.538 -0.649 0.000) 1.669 3.197 ( 4.021 -1.480 0.000) 4.285 3.256 ( -2.122 -1.689 0.000) 2.712 3.460 ( -3.455 0.006 0.000) 3.455 3.549 ( 3.059 -0.303 0.000) 3.074 3.563 ( 3.512 -0.067 0.000) 3.512 3.651 ( -1.558 -0.048 0.000) 1.559 4.048 ( 0.400 0.167 0.000) 0.433 4.219 ( 3.627 2.364 0.000) 4.330 4.302 ( -0.069 -0.031 0.000) 0.076 4.387 ( -1.503 -3.645 0.000) 3.943 5.103 ( 5.184 0.482 0.000) 5.206 5.132 ( 5.471 -0.719 0.000) 5.518 9.321 ( 10.032 -0.577 0.000) 10.049 9.383 ( 2.840 1.184 0.000) 3.076 9.607 ( -8.108 -1.835 0.000) 8.313 9.777 ( -12.282 -0.956 0.000) 12.319 9.998 ( -0.206 -0.240 0.000) 0.317 10.089 ( -0.025 -0.127 0.000) 0.129 ======================= Grid point 6 (7/172) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 0.000 -0.000 0.000) 0.000 0.753 ( 0.000 -0.000 0.000) 0.000 1.271 ( -0.000 -0.000 0.000) 0.000 1.287 ( 0.000 -0.000 0.000) 0.000 1.333 ( 0.000 -0.000 0.000) 0.000 1.595 ( 0.000 0.000 0.000) 0.000 1.740 ( -0.000 0.000 0.000) 0.000 1.756 ( 0.000 -0.000 0.000) 0.000 1.786 ( 0.000 -0.000 0.000) 0.000 1.801 ( 0.000 -0.000 0.000) 0.000 1.843 ( -0.000 -0.000 0.000) 0.000 1.968 ( 0.000 -0.000 0.000) 0.000 2.237 ( 0.000 -0.000 0.000) 0.000 2.249 ( 0.000 -0.000 0.000) 0.000 2.836 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 -0.000 0.000) 0.000 3.087 ( 0.000 -0.000 0.000) 0.000 3.139 ( -0.000 -0.000 0.000) 0.000 3.237 ( 0.000 -0.000 0.000) 0.000 3.247 ( 0.000 -0.000 0.000) 0.000 3.418 ( 0.000 -0.000 0.000) 0.000 3.584 ( 0.000 -0.000 0.000) 0.000 3.599 ( 0.000 -0.000 0.000) 0.000 3.632 ( 0.000 -0.000 0.000) 0.000 4.058 ( 0.000 -0.000 0.000) 0.000 4.247 ( 0.000 -0.000 0.000) 0.000 4.306 ( -0.000 -0.000 0.000) 0.000 4.365 ( 0.000 -0.000 0.000) 0.000 5.161 ( 0.000 -0.000 0.000) 0.000 5.194 ( 0.000 -0.000 0.000) 0.000 9.433 ( 0.000 0.000 0.000) 0.000 9.488 ( 0.000 -0.000 0.000) 0.000 9.524 ( 0.000 -0.000 0.000) 0.000 9.568 ( 0.000 -0.000 0.000) 0.000 9.997 ( 0.000 0.000 0.000) 0.000 10.089 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/172) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 11.908 -0.000 0.000) 11.908 0.744 ( 17.262 -0.000 0.000) 17.262 0.809 ( -0.154 0.000 0.000) 0.154 0.940 ( 2.673 -0.000 0.000) 2.673 1.119 ( 23.286 -0.000 0.000) 23.286 1.319 ( 2.863 -0.000 0.000) 2.863 1.364 ( 2.046 -0.000 0.000) 2.046 1.458 ( 2.896 -0.000 0.000) 2.896 1.479 ( 1.112 -0.000 0.000) 1.112 1.535 ( 4.112 -0.000 0.000) 4.112 1.543 ( 6.185 -0.000 0.000) 6.185 1.767 ( 1.128 -0.000 0.000) 1.128 1.911 ( -1.643 0.000 0.000) 1.643 2.325 ( -3.546 0.000 0.000) 3.546 2.842 ( 12.647 -0.000 0.000) 12.647 2.851 ( -0.060 0.000 0.000) 0.060 2.926 ( 1.646 -0.000 0.000) 1.646 3.028 ( 4.236 -0.000 0.000) 4.236 3.116 ( 0.581 -0.000 0.000) 0.581 3.172 ( 1.416 -0.000 0.000) 1.416 3.248 ( 2.900 -0.000 0.000) 2.900 3.301 ( 12.487 -0.000 0.000) 12.487 3.497 ( -3.630 0.000 0.000) 3.630 3.666 ( 13.174 -0.000 0.000) 13.174 3.819 ( -3.140 0.000 0.000) 3.140 4.105 ( 3.349 -0.000 0.000) 3.349 4.308 ( -3.949 0.000 0.000) 3.949 4.324 ( -7.141 0.000 0.000) 7.141 4.962 ( -1.733 0.000 0.000) 1.733 5.140 ( -5.563 0.000 0.000) 5.563 8.547 ( 15.175 -0.000 0.000) 15.175 9.403 ( 0.378 -0.000 0.000) 0.378 10.030 ( -0.791 0.000 0.000) 0.791 10.108 ( -0.654 0.000 0.000) 0.654 10.157 ( -9.368 0.000 0.000) 9.368 10.588 ( -13.538 0.000 0.000) 13.538 ======================= Grid point 15 (9/172) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 3.897 -0.113 0.000) 3.899 0.799 ( -0.949 0.033 0.000) 0.949 1.035 ( 6.676 -0.400 0.000) 6.688 1.046 ( 12.438 1.577 0.000) 12.538 1.322 ( 0.198 8.098 0.000) 8.100 1.378 ( 1.876 -5.193 0.000) 5.522 1.438 ( 5.761 0.579 0.000) 5.790 1.516 ( 1.561 -3.138 0.000) 3.505 1.632 ( 5.203 -0.502 0.000) 5.228 1.654 ( 11.559 1.551 0.000) 11.662 1.668 ( 10.697 -2.241 0.000) 10.929 1.797 ( 2.338 -0.407 0.000) 2.373 1.932 ( 2.666 -0.455 0.000) 2.705 2.262 ( -2.619 -0.041 0.000) 2.620 2.852 ( 1.321 0.031 0.000) 1.322 2.981 ( 3.857 -0.927 0.000) 3.967 3.043 ( -1.829 0.286 0.000) 1.851 3.066 ( 8.307 -0.105 0.000) 8.307 3.070 ( -3.957 -0.043 0.000) 3.957 3.261 ( 5.440 -0.033 0.000) 5.440 3.351 ( 6.095 -0.031 0.000) 6.095 3.428 ( -2.449 -0.733 0.000) 2.557 3.505 ( 6.486 1.653 0.000) 6.693 3.752 ( -3.340 0.172 0.000) 3.344 3.953 ( 14.473 0.943 0.000) 14.504 4.160 ( 0.838 0.112 0.000) 0.846 4.184 ( -5.312 -0.995 0.000) 5.404 4.278 ( 1.765 -0.788 0.000) 1.932 4.943 ( 0.356 -0.274 0.000) 0.449 5.042 ( -3.582 -0.003 0.000) 3.582 8.844 ( 13.908 -0.655 0.000) 13.923 9.395 ( -0.411 2.898 0.000) 2.927 9.959 ( -10.655 -2.451 0.000) 10.934 10.014 ( -0.746 -0.082 0.000) 0.751 10.096 ( -0.480 -0.026 0.000) 0.481 10.303 ( -14.406 -0.013 0.000) 14.406 ======================= Grid point 16 (10/172) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -1.565 -0.112 0.000) 1.569 0.776 ( -0.320 -0.082 0.000) 0.330 1.169 ( 5.799 -0.219 0.000) 5.803 1.186 ( 2.903 0.916 0.000) 3.044 1.316 ( 1.500 6.164 0.000) 6.344 1.450 ( 4.542 -6.513 0.000) 7.940 1.556 ( 1.634 -2.679 0.000) 3.138 1.585 ( 8.553 0.286 0.000) 8.557 1.735 ( 4.642 -0.457 0.000) 4.664 1.754 ( 3.411 0.155 0.000) 3.414 1.798 ( 1.065 -0.226 0.000) 1.089 1.977 ( 2.987 1.433 0.000) 3.313 2.013 ( 11.933 -1.429 0.000) 12.019 2.227 ( -0.851 -0.214 0.000) 0.878 2.907 ( 4.135 0.086 0.000) 4.135 2.971 ( -4.647 1.238 0.000) 4.809 3.001 ( -2.870 -0.995 0.000) 3.038 3.080 ( 5.327 -1.164 0.000) 5.453 3.171 ( 2.366 -0.312 0.000) 2.386 3.287 ( -2.358 -1.213 0.000) 2.651 3.465 ( 4.996 -0.128 0.000) 4.997 3.468 ( 5.235 -0.261 0.000) 5.241 3.532 ( -2.318 0.937 0.000) 2.500 3.691 ( -2.568 0.021 0.000) 2.568 4.075 ( -3.132 0.274 0.000) 3.144 4.163 ( 6.495 5.224 0.000) 8.336 4.241 ( 4.569 -4.036 0.000) 6.096 4.342 ( 2.291 -2.477 0.000) 3.374 4.998 ( 5.080 -0.189 0.000) 5.084 5.025 ( 2.386 -0.096 0.000) 2.388 9.099 ( 11.490 -0.825 0.000) 11.520 9.377 ( -0.142 1.998 0.000) 2.003 9.762 ( -9.716 -2.245 0.000) 9.972 10.002 ( -0.466 -0.183 0.000) 0.501 10.025 ( -13.424 -0.359 0.000) 13.429 10.089 ( -0.184 -0.091 0.000) 0.206 ======================= Grid point 17 (11/172) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -1.225 -0.177 0.000) 1.238 0.761 ( -0.795 -0.052 0.000) 0.797 1.241 ( 3.411 0.399 0.000) 3.435 1.257 ( 2.958 -0.066 0.000) 2.959 1.313 ( -0.560 -0.893 0.000) 1.054 1.555 ( 3.180 -2.440 0.000) 4.008 1.621 ( 4.365 -2.185 0.000) 4.882 1.743 ( 6.605 0.891 0.000) 6.665 1.787 ( 0.356 0.584 0.000) 0.684 1.808 ( -0.609 -0.959 0.000) 1.136 1.808 ( 2.277 -0.972 0.000) 2.476 1.991 ( -0.017 2.120 0.000) 2.120 2.202 ( 5.897 0.871 0.000) 5.961 2.227 ( 0.558 -0.247 0.000) 0.610 2.880 ( -3.708 0.632 0.000) 3.761 2.955 ( -1.879 -0.552 0.000) 1.959 3.007 ( 5.478 0.061 0.000) 5.478 3.176 ( -1.385 -0.399 0.000) 1.441 3.187 ( 4.223 -1.146 0.000) 4.375 3.245 ( -1.680 -1.244 0.000) 2.090 3.460 ( -3.610 -0.005 0.000) 3.610 3.547 ( 3.075 -0.219 0.000) 3.083 3.563 ( 3.563 -0.043 0.000) 3.564 3.651 ( -1.531 -0.046 0.000) 1.532 4.048 ( 0.112 -0.111 0.000) 0.157 4.240 ( 3.120 3.381 0.000) 4.601 4.300 ( 0.769 -0.605 0.000) 0.978 4.360 ( -1.241 -3.503 0.000) 3.716 5.106 ( 5.013 0.409 0.000) 5.030 5.127 ( 5.722 -0.591 0.000) 5.752 9.317 ( 10.344 -0.401 0.000) 10.352 9.391 ( 2.411 0.907 0.000) 2.576 9.595 ( -7.429 -1.388 0.000) 7.557 9.771 ( -12.327 -0.718 0.000) 12.348 9.997 ( -0.144 -0.176 0.000) 0.227 10.088 ( 0.007 -0.093 0.000) 0.093 ======================= Grid point 18 (12/172) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 0.108 -0.003 0.000) 0.108 0.753 ( 0.025 0.003 0.000) 0.025 1.271 ( -0.955 -0.099 0.000) 0.960 1.287 ( 0.024 -0.000 0.000) 0.024 1.334 ( 2.132 0.207 0.000) 2.142 1.598 ( 1.034 0.655 0.000) 1.224 1.726 ( 4.533 -2.803 0.000) 5.329 1.765 ( -3.220 1.538 0.000) 3.569 1.786 ( -0.219 -0.165 0.000) 0.274 1.802 ( -0.963 0.061 0.000) 0.965 1.842 ( 0.982 -0.067 0.000) 0.985 1.972 ( -1.060 1.015 0.000) 1.468 2.237 ( 0.136 0.007 0.000) 0.136 2.247 ( -0.881 -0.347 0.000) 0.947 2.836 ( -0.264 0.001 0.000) 0.264 2.938 ( 0.250 -0.000 0.000) 0.250 3.087 ( -0.380 -0.056 0.000) 0.385 3.139 ( 0.630 0.051 0.000) 0.632 3.237 ( 0.668 -0.001 0.000) 0.668 3.247 ( 0.706 0.010 0.000) 0.706 3.418 ( 0.044 0.016 0.000) 0.047 3.584 ( 0.197 -0.040 0.000) 0.201 3.599 ( 0.010 0.049 0.000) 0.050 3.632 ( -0.031 -0.009 0.000) 0.032 4.057 ( 0.046 -0.222 0.000) 0.227 4.251 ( -0.554 1.005 0.000) 1.148 4.301 ( -1.383 -1.234 0.000) 1.853 4.367 ( 2.346 0.449 0.000) 2.388 5.161 ( -0.228 -0.150 0.000) 0.273 5.194 ( 0.303 0.130 0.000) 0.330 9.434 ( -1.180 0.222 0.000) 1.201 9.485 ( 3.442 -0.656 0.000) 3.504 9.527 ( -5.331 0.591 0.000) 5.364 9.568 ( 3.968 -0.157 0.000) 3.971 9.997 ( 0.096 -0.000 0.000) 0.096 10.089 ( 0.051 0.000 0.000) 0.051 ======================= Grid point 19 (13/172) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 1.320 0.244 0.000) 1.343 0.762 ( 0.848 0.069 0.000) 0.851 1.235 ( -2.659 -0.402 0.000) 2.689 1.258 ( -2.858 0.089 0.000) 2.859 1.326 ( -3.049 0.791 0.000) 3.149 1.612 ( 1.744 5.059 0.000) 5.351 1.666 ( -5.154 3.542 0.000) 6.254 1.729 ( -6.124 -0.804 0.000) 6.176 1.778 ( -0.264 -0.756 0.000) 0.801 1.813 ( 1.619 -0.834 0.000) 1.821 1.823 ( -2.603 0.926 0.000) 2.763 1.951 ( -0.974 -2.670 0.000) 2.842 2.185 ( -5.452 -1.318 0.000) 5.609 2.232 ( -0.381 0.337 0.000) 0.509 2.869 ( 3.206 -0.650 0.000) 3.271 2.964 ( 2.240 0.559 0.000) 2.309 3.005 ( -5.434 -0.133 0.000) 5.435 3.185 ( 1.703 0.714 0.000) 1.846 3.207 ( -3.788 1.430 0.000) 4.049 3.269 ( 2.623 1.676 0.000) 3.112 3.460 ( 3.253 -0.022 0.000) 3.253 3.551 ( -3.027 0.306 0.000) 3.043 3.564 ( -3.457 0.080 0.000) 3.458 3.651 ( 1.580 0.027 0.000) 1.580 4.045 ( -0.857 -0.543 0.000) 1.014 4.206 ( -3.797 -1.147 0.000) 3.966 4.301 ( 0.634 -0.152 0.000) 0.652 4.411 ( 1.923 2.990 0.000) 3.555 5.100 ( -5.231 -0.453 0.000) 5.251 5.137 ( -5.324 0.675 0.000) 5.367 9.325 ( -9.661 0.635 0.000) 9.682 9.374 ( -3.299 -1.165 0.000) 3.499 9.621 ( 8.837 1.785 0.000) 9.015 9.784 ( 12.238 0.929 0.000) 12.274 10.000 ( 0.278 0.241 0.000) 0.368 10.090 ( 0.062 0.126 0.000) 0.141 ======================= Grid point 20 (14/172) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 1.436 0.214 0.000) 1.451 0.778 ( 0.395 0.173 0.000) 0.432 1.167 ( -4.684 -1.275 0.000) 4.855 1.174 ( -5.405 0.430 0.000) 5.422 1.232 ( -6.310 -4.823 0.000) 7.942 1.532 ( -5.401 4.284 0.000) 6.894 1.578 ( -8.653 -0.519 0.000) 8.668 1.633 ( 1.203 7.152 0.000) 7.252 1.746 ( -4.514 0.885 0.000) 4.600 1.752 ( -3.021 -0.124 0.000) 3.024 1.796 ( -2.841 -0.680 0.000) 2.921 1.948 ( -1.562 -2.431 0.000) 2.890 2.042 ( -8.220 2.333 0.000) 8.545 2.232 ( 0.777 0.427 0.000) 0.887 2.905 ( -4.118 -0.143 0.000) 4.120 2.952 ( 4.296 -1.191 0.000) 4.458 3.015 ( 2.963 0.784 0.000) 3.065 3.108 ( -4.943 2.167 0.000) 5.397 3.180 ( -2.319 0.846 0.000) 2.468 3.315 ( 1.823 2.199 0.000) 2.857 3.469 ( -4.970 0.344 0.000) 4.982 3.475 ( -4.437 0.655 0.000) 4.485 3.508 ( 0.020 -2.141 0.000) 2.141 3.690 ( 2.313 -0.138 0.000) 2.317 4.044 ( -0.563 -3.620 0.000) 3.663 4.130 ( -3.054 0.516 0.000) 3.098 4.272 ( -3.934 0.900 0.000) 4.036 4.399 ( -2.105 4.297 0.000) 4.785 5.002 ( -3.875 0.422 0.000) 3.898 5.027 ( -3.335 0.157 0.000) 3.339 9.121 ( -10.646 2.063 0.000) 10.844 9.330 ( -2.340 -3.828 0.000) 4.486 9.812 ( 11.309 3.981 0.000) 11.989 10.007 ( 0.485 0.369 0.000) 0.609 10.034 ( 13.104 0.642 0.000) 13.119 10.092 ( 0.177 0.180 0.000) 0.253 ======================= Grid point 21 (15/172) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -3.545 0.475 0.000) 3.577 0.797 ( 0.691 -0.178 0.000) 0.714 0.995 ( -13.768 -4.194 0.000) 14.392 1.050 ( -6.004 1.510 0.000) 6.191 1.180 ( -1.329 -10.023 0.000) 10.110 1.417 ( -7.247 -1.904 0.000) 7.493 1.438 ( -2.842 3.291 0.000) 4.348 1.592 ( -3.874 4.461 0.000) 5.908 1.645 ( -8.211 0.720 0.000) 8.242 1.649 ( -4.447 1.589 0.000) 4.723 1.700 ( -8.197 1.588 0.000) 8.350 1.821 ( -5.744 3.357 0.000) 6.653 1.948 ( -1.922 1.490 0.000) 2.432 2.263 ( 2.440 0.157 0.000) 2.446 2.854 ( -1.013 0.475 0.000) 1.119 3.015 ( -3.025 3.061 0.000) 4.304 3.033 ( 2.910 -0.909 0.000) 3.048 3.071 ( 2.690 0.081 0.000) 2.692 3.072 ( -8.454 0.812 0.000) 8.493 3.262 ( -6.029 0.087 0.000) 6.029 3.353 ( -6.280 0.154 0.000) 6.282 3.440 ( -8.501 -6.641 0.000) 10.787 3.456 ( 2.910 2.782 0.000) 4.026 3.745 ( 2.912 -0.782 0.000) 3.015 3.924 ( -12.382 -2.320 0.000) 12.597 4.165 ( 4.592 0.836 0.000) 4.668 4.203 ( -0.093 0.770 0.000) 0.776 4.310 ( -4.096 3.251 0.000) 5.229 4.954 ( -0.272 1.101 0.000) 1.134 5.042 ( 3.742 -0.074 0.000) 3.743 8.872 ( -13.571 3.093 0.000) 13.919 9.295 ( -4.027 -9.267 0.000) 10.105 10.017 ( 0.690 0.310 0.000) 0.757 10.040 ( 13.479 7.136 0.000) 15.252 10.097 ( 0.404 0.093 0.000) 0.415 10.303 ( 13.981 -0.100 0.000) 13.981 ======================= Grid point 22 (16/172) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -10.955 1.916 0.000) 11.121 0.685 ( -18.274 -4.951 0.000) 18.932 0.804 ( -0.043 -0.654 0.000) 0.655 0.955 ( -2.748 1.985 0.000) 3.390 1.192 ( -8.282 -2.657 0.000) 8.698 1.249 ( -12.239 2.358 0.000) 12.464 1.320 ( -3.740 -5.032 0.000) 6.269 1.459 ( -1.882 -0.475 0.000) 1.941 1.499 ( -4.989 2.163 0.000) 5.437 1.550 ( -6.689 0.945 0.000) 6.755 1.564 ( -3.093 3.035 0.000) 4.333 1.759 ( -1.845 -0.931 0.000) 2.067 1.918 ( 0.065 0.230 0.000) 0.240 2.324 ( 3.427 -0.182 0.000) 3.432 2.833 ( -8.533 0.136 0.000) 8.534 2.847 ( -6.492 -0.110 0.000) 6.493 2.976 ( 0.591 4.929 0.000) 4.964 3.031 ( -4.271 0.331 0.000) 4.284 3.105 ( -0.270 -1.295 0.000) 1.323 3.174 ( -1.277 0.158 0.000) 1.287 3.241 ( -3.615 -0.754 0.000) 3.692 3.254 ( -10.761 -6.052 0.000) 12.346 3.516 ( 3.451 2.411 0.000) 4.210 3.659 ( -12.970 -0.724 0.000) 12.990 3.807 ( 2.827 -1.468 0.000) 3.185 4.124 ( -5.126 2.083 0.000) 5.533 4.299 ( 3.959 -1.118 0.000) 4.114 4.323 ( 7.313 -0.088 0.000) 7.313 4.971 ( 1.903 1.192 0.000) 2.245 5.141 ( 5.599 0.130 0.000) 5.600 8.565 ( -15.488 2.489 0.000) 15.686 9.222 ( -8.981 -19.158 0.000) 21.158 10.031 ( 0.736 0.152 0.000) 0.751 10.107 ( 0.572 -0.093 0.000) 0.580 10.293 ( 15.543 13.495 0.000) 20.584 10.583 ( 13.407 -0.637 0.000) 13.423 ======================= Grid point 23 (17/172) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( -18.537 -3.329 0.000) 18.834 0.337 ( -13.736 4.397 0.000) 14.422 0.714 ( -24.523 17.399 0.000) 30.068 0.803 ( -0.258 -0.848 0.000) 0.886 0.914 ( -0.969 1.108 0.000) 1.472 1.206 ( -3.108 -6.301 0.000) 7.026 1.296 ( -1.171 -7.120 0.000) 7.216 1.399 ( -3.377 0.449 0.000) 3.407 1.423 ( -5.257 0.103 0.000) 5.258 1.474 ( 0.649 -1.387 0.000) 1.531 1.505 ( -1.480 4.497 0.000) 4.734 1.740 ( -0.616 -2.090 0.000) 2.179 1.976 ( 4.789 -4.637 0.000) 6.666 2.391 ( 2.824 -0.341 0.000) 2.844 2.557 ( -13.167 -0.309 0.000) 13.170 2.759 ( -9.212 -8.373 0.000) 12.449 2.925 ( -4.576 0.067 0.000) 4.577 3.013 ( 5.739 8.229 0.000) 10.033 3.050 ( -3.908 -0.032 0.000) 3.908 3.128 ( -0.635 5.378 0.000) 5.416 3.175 ( 0.675 -0.359 0.000) 0.765 3.236 ( 0.902 -1.475 0.000) 1.728 3.450 ( -7.714 -0.655 0.000) 7.742 3.565 ( 2.055 1.595 0.000) 2.601 3.861 ( 1.773 -1.684 0.000) 2.445 4.008 ( -7.177 -5.480 0.000) 9.030 4.385 ( 3.702 0.021 0.000) 3.702 4.477 ( 8.793 3.652 0.000) 9.521 5.004 ( 1.570 1.472 0.000) 2.152 5.245 ( 4.451 0.329 0.000) 4.463 8.278 ( -11.302 0.790 0.000) 11.329 9.025 ( -25.627 -42.839 0.000) 49.919 10.043 ( 0.489 0.026 0.000) 0.489 10.118 ( 0.447 -0.230 0.000) 0.502 10.583 ( 23.269 28.809 0.000) 37.033 10.814 ( 8.863 -0.048 0.000) 8.863 ======================= Grid point 24 (18/172) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.091 ( 0.000 12.288 0.000) 12.288 0.145 ( 0.000 19.793 0.000) 19.793 0.195 ( 0.000 26.941 0.000) 26.941 0.803 ( -0.000 -0.675 0.000) 0.675 0.903 ( 0.000 0.490 0.000) 0.490 1.184 ( -0.000 -3.418 0.000) 3.418 1.312 ( -0.000 -6.868 0.000) 6.868 1.358 ( -0.000 -0.483 0.000) 0.483 1.368 ( 0.000 0.621 0.000) 0.621 1.473 ( 0.000 4.859 0.000) 4.859 1.487 ( -0.000 -0.928 0.000) 0.928 1.743 ( -0.000 -1.410 0.000) 1.410 2.080 ( -0.000 -6.597 0.000) 6.597 2.391 ( 0.000 1.101 0.000) 1.101 2.423 ( -0.000 -0.289 0.000) 0.289 2.555 ( -0.000 -0.574 0.000) 0.574 2.877 ( 0.000 0.017 0.000) 0.017 3.005 ( 0.000 0.055 0.000) 0.055 3.057 ( 0.000 2.461 0.000) 2.461 3.184 ( -0.000 -0.349 0.000) 0.349 3.252 ( -0.000 -1.133 0.000) 1.133 3.370 ( -0.000 -0.759 0.000) 0.759 3.383 ( 0.000 0.695 0.000) 0.695 3.582 ( 0.000 0.992 0.000) 0.992 3.783 ( -0.000 -3.404 0.000) 3.404 3.885 ( -0.000 -1.302 0.000) 1.302 4.424 ( 0.000 0.369 0.000) 0.369 4.732 ( -0.000 -1.968 0.000) 1.968 5.015 ( 0.000 1.388 0.000) 1.388 5.320 ( -0.000 -0.882 0.000) 0.882 8.151 ( 0.000 0.055 0.000) 0.055 8.157 ( 0.000 0.011 0.000) 0.011 10.048 ( -0.000 -0.010 0.000) 0.010 10.124 ( -0.000 -0.209 0.000) 0.209 10.902 ( -0.000 -0.890 0.000) 0.890 11.185 ( -0.000 -0.677 0.000) 0.677 ======================= Grid point 27 (19/172) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -1.584 0.000 0.000) 1.584 0.775 ( -0.310 0.000 0.000) 0.310 1.168 ( 5.861 -0.000 0.000) 5.861 1.189 ( 2.619 -0.000 0.000) 2.619 1.347 ( -1.784 0.000 0.000) 1.784 1.417 ( 6.821 -0.000 0.000) 6.821 1.546 ( 2.272 -0.000 0.000) 2.272 1.586 ( 8.537 -0.000 0.000) 8.537 1.733 ( 4.662 -0.000 0.000) 4.662 1.755 ( 3.484 -0.000 0.000) 3.484 1.797 ( 0.768 -0.000 0.000) 0.768 1.983 ( 2.001 -0.000 0.000) 2.001 2.007 ( 13.655 -0.000 0.000) 13.655 2.226 ( -0.863 0.000 0.000) 0.863 2.907 ( 4.130 -0.000 0.000) 4.130 2.977 ( -4.989 0.000 0.000) 4.989 2.996 ( -2.572 0.000 0.000) 2.572 3.076 ( 5.394 -0.000 0.000) 5.394 3.170 ( 2.360 -0.000 0.000) 2.360 3.283 ( -2.412 0.000 0.000) 2.412 3.465 ( 5.007 -0.000 0.000) 5.007 3.467 ( 5.322 -0.000 0.000) 5.322 3.535 ( -2.653 0.000 0.000) 2.653 3.691 ( -2.604 0.000 0.000) 2.604 4.076 ( -3.047 0.000 0.000) 3.047 4.200 ( 7.804 -0.000 0.000) 7.804 4.209 ( 3.271 -0.000 0.000) 3.271 4.333 ( 2.279 -0.000 0.000) 2.279 4.997 ( 5.243 -0.000 0.000) 5.243 5.025 ( 2.262 -0.000 0.000) 2.262 9.096 ( 11.597 -0.000 0.000) 11.597 9.384 ( -0.551 0.000 0.000) 0.551 9.753 ( -9.426 0.000 0.000) 9.426 10.001 ( -0.463 0.000 0.000) 0.463 10.024 ( -13.469 0.000 0.000) 13.469 10.089 ( -0.185 0.000 0.000) 0.185 ======================= Grid point 28 (20/172) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -1.201 -0.065 0.000) 1.203 0.761 ( -0.780 -0.019 0.000) 0.780 1.243 ( 3.811 0.172 0.000) 3.815 1.256 ( 2.986 -0.024 0.000) 2.986 1.308 ( -1.818 -0.381 0.000) 1.857 1.543 ( 4.609 -0.804 0.000) 4.679 1.610 ( 4.054 -0.780 0.000) 4.128 1.748 ( 6.931 0.393 0.000) 6.942 1.792 ( 0.314 0.506 0.000) 0.596 1.801 ( -0.380 -0.708 0.000) 0.803 1.803 ( 1.989 -0.422 0.000) 2.033 2.002 ( 0.017 0.767 0.000) 0.767 2.206 ( 5.907 0.313 0.000) 5.915 2.226 ( 0.607 -0.090 0.000) 0.614 2.883 ( -3.912 0.257 0.000) 3.921 2.952 ( -1.717 -0.226 0.000) 1.732 3.007 ( 5.481 0.017 0.000) 5.481 3.174 ( -1.508 -0.095 0.000) 1.511 3.181 ( 4.556 -0.468 0.000) 4.580 3.239 ( -1.420 -0.457 0.000) 1.492 3.460 ( -3.692 -0.004 0.000) 3.692 3.546 ( 3.081 -0.079 0.000) 3.082 3.563 ( 3.595 -0.015 0.000) 3.595 3.650 ( -1.513 -0.019 0.000) 1.513 4.047 ( -0.007 -0.085 0.000) 0.086 4.266 ( 2.020 3.387 0.000) 3.944 4.290 ( 2.411 -2.056 0.000) 3.169 4.340 ( -1.490 -1.552 0.000) 2.152 5.109 ( 4.752 0.184 0.000) 4.755 5.123 ( 6.028 -0.252 0.000) 6.033 9.315 ( 10.520 -0.143 0.000) 10.521 9.395 ( 2.144 0.345 0.000) 2.171 9.588 ( -7.010 -0.520 0.000) 7.029 9.767 ( -12.357 -0.267 0.000) 12.360 9.996 ( -0.108 -0.064 0.000) 0.125 10.088 ( 0.026 -0.034 0.000) 0.043 ======================= Grid point 29 (21/172) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 0.186 -0.003 0.000) 0.186 0.753 ( 0.043 0.003 0.000) 0.043 1.270 ( -1.578 -0.095 0.000) 1.581 1.287 ( 0.041 -0.000 0.000) 0.041 1.335 ( 3.615 0.205 0.000) 3.621 1.604 ( 1.955 0.811 0.000) 2.116 1.706 ( 4.640 -2.190 0.000) 5.130 1.774 ( -2.413 0.969 0.000) 2.601 1.784 ( -0.574 -0.330 0.000) 0.662 1.802 ( -1.713 0.063 0.000) 1.714 1.842 ( 1.746 -0.069 0.000) 1.748 1.980 ( -1.735 0.992 0.000) 1.998 2.237 ( 0.236 0.007 0.000) 0.236 2.244 ( -1.549 -0.360 0.000) 1.591 2.836 ( -0.457 0.001 0.000) 0.457 2.938 ( 0.433 -0.000 0.000) 0.433 3.087 ( -0.645 -0.055 0.000) 0.647 3.140 ( 1.081 0.049 0.000) 1.082 3.237 ( 1.157 -0.001 0.000) 1.157 3.247 ( 1.218 0.010 0.000) 1.218 3.418 ( 0.077 0.016 0.000) 0.078 3.584 ( 0.333 -0.038 0.000) 0.335 3.600 ( 0.027 0.047 0.000) 0.054 3.632 ( -0.054 -0.009 0.000) 0.055 4.055 ( 0.074 -0.217 0.000) 0.229 4.261 ( -0.996 1.712 0.000) 1.981 4.289 ( -1.933 -1.883 0.000) 2.698 4.370 ( 3.644 0.386 0.000) 3.664 5.159 ( -0.368 -0.141 0.000) 0.394 5.195 ( 0.498 0.121 0.000) 0.513 9.436 ( -2.330 0.254 0.000) 2.344 9.480 ( 5.374 -0.604 0.000) 5.408 9.531 ( -9.139 0.532 0.000) 9.154 9.566 ( 7.649 -0.182 0.000) 7.651 9.997 ( 0.166 -0.000 0.000) 0.166 10.089 ( 0.087 0.000 0.000) 0.087 ======================= Grid point 30 (22/172) ======================= q-point: (-0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 1.367 0.180 0.000) 1.379 0.763 ( 0.871 0.049 0.000) 0.872 1.232 ( -2.484 -0.279 0.000) 2.500 1.259 ( -2.811 0.065 0.000) 2.812 1.331 ( -4.320 0.504 0.000) 4.350 1.650 ( 3.914 5.196 0.000) 6.505 1.690 ( -5.225 3.006 0.000) 6.028 1.725 ( -6.033 -0.518 0.000) 6.055 1.772 ( 0.015 -0.835 0.000) 0.835 1.800 ( 2.047 -2.517 0.000) 3.244 1.829 ( -2.615 0.610 0.000) 2.685 1.936 ( -2.285 -1.552 0.000) 2.763 2.176 ( -4.997 -1.027 0.000) 5.101 2.234 ( -0.303 0.247 0.000) 0.390 2.865 ( 3.046 -0.430 0.000) 3.076 2.967 ( 2.344 0.370 0.000) 2.373 3.004 ( -5.399 -0.107 0.000) 5.400 3.189 ( 1.819 0.557 0.000) 1.903 3.217 ( -3.565 1.020 0.000) 3.708 3.279 ( 3.047 1.219 0.000) 3.281 3.460 ( 3.057 -0.028 0.000) 3.057 3.553 ( -2.986 0.222 0.000) 2.995 3.564 ( -3.413 0.073 0.000) 3.414 3.651 ( 1.591 0.006 0.000) 1.591 4.040 ( -1.323 -0.612 0.000) 1.458 4.201 ( -3.787 -0.313 0.000) 3.800 4.300 ( 1.068 -0.173 0.000) 1.082 4.429 ( 2.259 1.942 0.000) 2.979 5.097 ( -5.215 -0.326 0.000) 5.225 5.141 ( -5.249 0.478 0.000) 5.271 9.330 ( -9.340 0.542 0.000) 9.356 9.366 ( -3.668 -0.890 0.000) 3.774 9.632 ( 9.434 1.283 0.000) 9.521 9.790 ( 12.205 0.662 0.000) 12.223 10.002 ( 0.341 0.177 0.000) 0.384 10.091 ( 0.094 0.092 0.000) 0.132 ======================= Grid point 31 (23/172) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 1.346 0.178 0.000) 1.358 0.779 ( 0.454 0.157 0.000) 0.480 1.159 ( -5.649 -0.691 0.000) 5.691 1.177 ( -5.183 0.368 0.000) 5.196 1.201 ( -7.835 -3.608 0.000) 8.625 1.559 ( -5.977 3.174 0.000) 6.768 1.575 ( -8.711 -0.427 0.000) 8.721 1.685 ( 0.914 6.817 0.000) 6.878 1.751 ( -2.668 -0.087 0.000) 2.669 1.752 ( -4.441 0.755 0.000) 4.504 1.789 ( -3.557 -1.168 0.000) 3.744 1.929 ( 0.069 -2.667 0.000) 2.667 2.059 ( -6.603 2.106 0.000) 6.930 2.235 ( 0.738 0.369 0.000) 0.825 2.904 ( -4.073 -0.109 0.000) 4.074 2.944 ( 4.226 -0.856 0.000) 4.312 3.020 ( 2.898 0.534 0.000) 2.947 3.122 ( -4.764 1.776 0.000) 5.084 3.187 ( -2.189 0.894 0.000) 2.364 3.330 ( 1.351 1.771 0.000) 2.227 3.471 ( -5.040 0.278 0.000) 5.048 3.480 ( -3.714 0.738 0.000) 3.787 3.492 ( -1.440 -2.022 0.000) 2.482 3.689 ( 2.138 -0.180 0.000) 2.146 4.020 ( -1.880 -2.902 0.000) 3.458 4.136 ( -1.630 1.058 0.000) 1.943 4.277 ( -3.896 0.433 0.000) 3.920 4.427 ( -1.908 3.261 0.000) 3.778 5.006 ( -3.001 0.395 0.000) 3.027 5.028 ( -4.057 0.111 0.000) 4.059 9.137 ( -9.951 2.203 0.000) 10.192 9.303 ( -3.817 -3.544 0.000) 5.209 9.839 ( 12.099 3.313 0.000) 12.544 10.009 ( 0.497 0.320 0.000) 0.591 10.038 ( 12.887 0.503 0.000) 12.897 10.093 ( 0.172 0.155 0.000) 0.232 ======================= Grid point 32 (24/172) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -3.268 0.531 0.000) 3.311 0.795 ( 0.477 -0.236 0.000) 0.532 0.968 ( -13.784 -3.123 0.000) 14.134 1.061 ( -5.454 1.529 0.000) 5.664 1.110 ( -3.433 -8.819 0.000) 9.464 1.403 ( -8.233 -1.792 0.000) 8.426 1.459 ( -2.912 2.423 0.000) 3.788 1.612 ( -7.237 1.238 0.000) 7.342 1.658 ( -5.625 2.614 0.000) 6.203 1.660 ( -4.054 1.450 0.000) 4.306 1.708 ( -5.605 0.580 0.000) 5.635 1.852 ( -7.172 4.784 0.000) 8.621 1.957 ( -2.110 0.910 0.000) 2.298 2.264 ( 2.309 0.161 0.000) 2.315 2.859 ( -0.397 0.877 0.000) 0.963 3.026 ( 3.300 -0.838 0.000) 3.404 3.036 ( -2.577 2.694 0.000) 3.728 3.071 ( 2.157 0.056 0.000) 2.158 3.080 ( -8.369 1.558 0.000) 8.513 3.263 ( -6.361 0.070 0.000) 6.362 3.354 ( -6.383 0.167 0.000) 6.385 3.389 ( -10.170 -7.293 0.000) 12.514 3.477 ( 3.159 2.869 0.000) 4.267 3.738 ( 2.566 -0.921 0.000) 2.727 3.908 ( -11.168 -1.859 0.000) 11.322 4.172 ( 4.781 1.049 0.000) 4.895 4.206 ( -0.489 0.142 0.000) 0.509 4.334 ( -5.402 3.074 0.000) 6.215 4.962 ( -0.237 1.184 0.000) 1.207 5.041 ( 3.875 -0.160 0.000) 3.879 8.898 ( -13.170 3.996 0.000) 13.763 9.226 ( -6.670 -9.273 0.000) 11.422 10.019 ( 0.650 0.312 0.000) 0.721 10.091 ( 14.876 6.448 0.000) 16.214 10.097 ( 0.348 0.091 0.000) 0.360 10.302 ( 13.615 -0.285 0.000) 13.618 ======================= Grid point 33 (25/172) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -10.003 2.268 0.000) 10.257 0.660 ( -17.070 -1.273 0.000) 17.117 0.799 ( -0.264 -0.878 0.000) 0.917 0.972 ( -2.683 2.697 0.000) 3.804 1.117 ( -0.975 -13.217 0.000) 13.253 1.281 ( -5.073 -5.453 0.000) 7.448 1.314 ( -16.047 10.524 0.000) 19.190 1.455 ( -1.999 -0.710 0.000) 2.122 1.515 ( -6.583 2.229 0.000) 6.950 1.559 ( -7.324 1.453 0.000) 7.466 1.586 ( -2.578 2.766 0.000) 3.781 1.752 ( -2.886 -1.092 0.000) 3.086 1.914 ( -1.745 -1.428 0.000) 2.255 2.322 ( 3.305 -0.211 0.000) 3.312 2.842 ( -11.835 2.182 0.000) 12.034 2.847 ( -4.571 0.214 0.000) 4.576 3.011 ( 1.435 4.396 0.000) 4.624 3.034 ( -4.358 0.462 0.000) 4.383 3.095 ( 0.034 -1.489 0.000) 1.490 3.175 ( -1.085 0.036 0.000) 1.086 3.204 ( -8.817 -7.728 0.000) 11.725 3.236 ( -4.333 -0.707 0.000) 4.390 3.536 ( 3.307 2.884 0.000) 4.388 3.654 ( -12.815 -0.568 0.000) 12.827 3.795 ( 2.493 -1.896 0.000) 3.132 4.139 ( -7.036 1.770 0.000) 7.255 4.290 ( 4.655 -1.157 0.000) 4.796 4.322 ( 6.963 -0.123 0.000) 6.964 4.981 ( 2.081 1.451 0.000) 2.536 5.142 ( 5.563 -0.001 0.000) 5.563 8.588 ( -15.831 3.718 0.000) 16.262 9.083 ( -13.531 -18.341 0.000) 22.792 10.032 ( 0.681 0.179 0.000) 0.705 10.106 ( 0.490 -0.111 0.000) 0.502 10.386 ( 18.032 11.545 0.000) 21.411 10.577 ( 13.378 -0.902 0.000) 13.408 ======================= Grid point 34 (26/172) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( -11.675 7.505 0.000) 13.879 0.375 ( -11.952 5.778 0.000) 13.276 0.795 ( -0.377 -1.298 0.000) 1.351 0.848 ( -21.797 18.967 0.000) 28.894 0.925 ( -1.208 2.000 0.000) 2.336 1.146 ( -2.029 -9.807 0.000) 10.014 1.239 ( -1.865 -8.230 0.000) 8.439 1.402 ( -3.851 0.394 0.000) 3.871 1.424 ( -5.249 0.192 0.000) 5.253 1.462 ( 0.593 -1.792 0.000) 1.888 1.537 ( -1.112 4.108 0.000) 4.256 1.719 ( -1.206 -3.932 0.000) 4.113 1.931 ( 2.177 -7.218 0.000) 7.540 2.388 ( 2.762 -0.474 0.000) 2.803 2.558 ( -12.687 0.606 0.000) 12.701 2.711 ( -10.995 -5.220 0.000) 12.171 2.926 ( -4.623 0.093 0.000) 4.624 3.050 ( -3.745 -0.059 0.000) 3.745 3.059 ( 4.151 4.947 0.000) 6.458 3.168 ( 5.566 4.711 0.000) 7.292 3.172 ( 0.518 -0.418 0.000) 0.666 3.223 ( 0.780 -2.008 0.000) 2.154 3.445 ( -7.778 -0.654 0.000) 7.806 3.580 ( 1.933 2.315 0.000) 3.015 3.845 ( 1.595 -2.495 0.000) 2.961 3.965 ( -11.136 -6.156 0.000) 12.724 4.388 ( 4.166 0.806 0.000) 4.243 4.496 ( 10.805 1.412 0.000) 10.897 5.017 ( 1.852 2.098 0.000) 2.798 5.245 ( 4.461 -0.220 0.000) 4.467 8.286 ( -11.927 1.357 0.000) 12.004 8.757 ( -30.858 -29.968 0.000) 43.015 10.044 ( 0.456 0.041 0.000) 0.458 10.116 ( 0.391 -0.319 0.000) 0.505 10.737 ( 20.723 12.017 0.000) 23.955 10.825 ( 13.135 4.523 0.000) 13.892 ======================= Grid point 35 (27/172) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.178 ( 0.000 11.553 0.000) 11.553 0.288 ( 0.000 19.439 0.000) 19.439 0.393 ( 0.000 27.449 0.000) 27.449 0.796 ( -0.000 -1.266 0.000) 1.266 0.908 ( 0.000 1.113 0.000) 1.113 1.147 ( -0.000 -6.599 0.000) 6.599 1.254 ( -0.000 -8.764 0.000) 8.764 1.355 ( -0.000 -0.269 0.000) 0.269 1.372 ( 0.000 0.486 0.000) 0.486 1.477 ( -0.000 -1.642 0.000) 1.642 1.510 ( 0.000 4.935 0.000) 4.935 1.726 ( -0.000 -3.618 0.000) 3.618 2.013 ( -0.000 -11.288 0.000) 11.288 2.402 ( 0.000 2.036 0.000) 2.036 2.420 ( -0.000 -0.508 0.000) 0.508 2.548 ( -0.000 -1.142 0.000) 1.142 2.877 ( 0.000 0.029 0.000) 0.029 3.006 ( 0.000 0.096 0.000) 0.096 3.082 ( 0.000 4.303 0.000) 4.303 3.181 ( -0.000 -0.572 0.000) 0.572 3.240 ( -0.000 -1.958 0.000) 1.958 3.365 ( -0.000 -0.741 0.000) 0.741 3.388 ( 0.000 0.629 0.000) 0.629 3.592 ( 0.000 1.821 0.000) 1.821 3.748 ( -0.000 -6.148 0.000) 6.148 3.871 ( -0.000 -2.390 0.000) 2.390 4.429 ( 0.000 0.802 0.000) 0.802 4.711 ( -0.000 -3.499 0.000) 3.499 5.030 ( 0.000 2.382 0.000) 2.382 5.311 ( -0.000 -1.624 0.000) 1.624 8.151 ( 0.000 0.098 0.000) 0.098 8.157 ( 0.000 0.016 0.000) 0.016 10.048 ( -0.000 -0.012 0.000) 0.012 10.122 ( -0.000 -0.366 0.000) 0.366 10.893 ( -0.000 -1.541 0.000) 1.541 11.178 ( -0.000 -1.173 0.000) 1.173 ======================= Grid point 40 (28/172) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 0.215 -0.000 0.000) 0.215 0.753 ( 0.049 -0.000 0.000) 0.049 1.270 ( -1.781 0.000 0.000) 1.781 1.287 ( 0.047 -0.000 0.000) 0.047 1.336 ( 4.134 -0.000 0.000) 4.134 1.607 ( 2.383 -0.000 0.000) 2.383 1.698 ( 4.487 -0.000 0.000) 4.487 1.779 ( -1.892 0.000 0.000) 1.892 1.782 ( -0.856 0.000 0.000) 0.856 1.802 ( -2.006 0.000 0.000) 2.006 1.842 ( 2.044 -0.000 0.000) 2.044 1.984 ( -1.946 0.000 0.000) 1.946 2.237 ( 0.272 -0.000 0.000) 0.272 2.243 ( -1.803 0.000 0.000) 1.803 2.836 ( -0.528 0.000 0.000) 0.528 2.938 ( 0.500 -0.000 0.000) 0.500 3.087 ( -0.737 0.000 0.000) 0.737 3.140 ( 1.243 -0.000 0.000) 1.243 3.237 ( 1.336 -0.000 0.000) 1.336 3.247 ( 1.403 -0.000 0.000) 1.403 3.419 ( 0.089 -0.000 0.000) 0.089 3.584 ( 0.380 -0.000 0.000) 0.380 3.600 ( 0.036 -0.000 0.000) 0.036 3.632 ( -0.063 0.000 0.000) 0.063 4.054 ( 0.083 -0.000 0.000) 0.083 4.273 ( 0.384 -0.000 0.000) 0.384 4.276 ( -3.580 0.000 0.000) 3.580 4.372 ( 4.024 -0.000 0.000) 4.024 5.159 ( -0.412 0.000 0.000) 0.412 5.196 ( 0.562 -0.000 0.000) 0.562 9.437 ( -2.909 0.000 0.000) 2.909 9.478 ( 6.086 -0.000 0.000) 6.086 9.533 ( -10.807 0.000 0.000) 10.807 9.566 ( 9.425 -0.000 0.000) 9.425 9.997 ( 0.191 -0.000 0.000) 0.191 10.089 ( 0.101 -0.000 0.000) 0.101 ======================= Grid point 41 (29/172) ======================= q-point: (-0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 1.395 0.066 0.000) 1.396 0.763 ( 0.883 0.018 0.000) 0.883 1.231 ( -2.410 -0.101 0.000) 2.412 1.259 ( -2.785 0.024 0.000) 2.785 1.334 ( -4.963 0.173 0.000) 4.966 1.683 ( 5.488 3.064 0.000) 6.285 1.706 ( -4.911 1.000 0.000) 5.012 1.722 ( -5.996 -0.178 0.000) 5.999 1.769 ( 0.238 0.164 0.000) 0.289 1.780 ( 1.622 -2.557 0.000) 3.028 1.832 ( -2.603 0.212 0.000) 2.612 1.929 ( -3.262 -0.440 0.000) 3.292 2.170 ( -4.646 -0.392 0.000) 4.662 2.235 ( -0.259 0.090 0.000) 0.274 2.863 ( 2.966 -0.149 0.000) 2.970 2.969 ( 2.394 0.128 0.000) 2.397 3.004 ( -5.375 -0.041 0.000) 5.375 3.192 ( 1.881 0.211 0.000) 1.893 3.222 ( -3.432 0.367 0.000) 3.451 3.286 ( 3.288 0.445 0.000) 3.317 3.460 ( 2.934 -0.013 0.000) 2.934 3.554 ( -2.956 0.080 0.000) 2.957 3.565 ( -3.390 0.031 0.000) 3.390 3.651 ( 1.592 -0.001 0.000) 1.592 4.037 ( -1.601 -0.263 0.000) 1.622 4.200 ( -3.759 -0.025 0.000) 3.759 4.299 ( 1.324 -0.075 0.000) 1.327 4.439 ( 2.436 0.673 0.000) 2.527 5.095 ( -5.192 -0.119 0.000) 5.193 5.143 ( -5.218 0.173 0.000) 5.221 9.333 ( -9.181 0.232 0.000) 9.184 9.362 ( -3.845 -0.353 0.000) 3.861 9.639 ( 9.768 0.466 0.000) 9.779 9.793 ( 12.188 0.239 0.000) 12.190 10.003 ( 0.377 0.065 0.000) 0.383 10.091 ( 0.112 0.034 0.000) 0.117 ======================= Grid point 42 (30/172) ======================= q-point: (-0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 1.273 0.099 0.000) 1.277 0.780 ( 0.503 0.095 0.000) 0.512 1.157 ( -6.067 0.100 0.000) 6.068 1.179 ( -5.022 0.211 0.000) 5.026 1.180 ( -9.043 -2.304 0.000) 9.332 1.572 ( -8.752 -0.238 0.000) 8.756 1.578 ( -6.372 1.822 0.000) 6.627 1.728 ( -0.898 4.634 0.000) 4.720 1.751 ( -2.007 0.091 0.000) 2.010 1.756 ( -4.387 0.432 0.000) 4.408 1.780 ( -3.397 -1.226 0.000) 3.612 1.911 ( 1.618 -2.120 0.000) 2.667 2.072 ( -5.468 1.257 0.000) 5.610 2.237 ( 0.710 0.213 0.000) 0.742 2.903 ( -4.025 -0.057 0.000) 4.025 2.939 ( 4.185 -0.445 0.000) 4.208 3.023 ( 2.846 0.270 0.000) 2.859 3.132 ( -4.659 0.978 0.000) 4.760 3.192 ( -2.017 0.602 0.000) 2.105 3.340 ( 0.921 0.959 0.000) 1.330 3.473 ( -5.084 0.151 0.000) 5.086 3.480 ( -2.591 -1.250 0.000) 2.877 3.485 ( -3.098 0.513 0.000) 3.140 3.688 ( 1.994 -0.134 0.000) 1.999 4.003 ( -2.329 -1.524 0.000) 2.784 4.143 ( -1.044 0.698 0.000) 1.255 4.279 ( -3.920 0.184 0.000) 3.925 4.446 ( -1.767 1.727 0.000) 2.471 5.008 ( -2.217 0.244 0.000) 2.230 5.029 ( -4.727 0.050 0.000) 4.728 9.151 ( -9.223 1.619 0.000) 9.364 9.281 ( -5.066 -2.331 0.000) 5.577 9.859 ( 12.650 1.878 0.000) 12.789 10.011 ( 0.505 0.185 0.000) 0.538 10.041 ( 12.706 0.262 0.000) 12.708 10.094 ( 0.168 0.089 0.000) 0.191 ======================= Grid point 43 (31/172) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -3.006 0.445 0.000) 3.039 0.794 ( 0.264 -0.230 0.000) 0.350 0.951 ( -12.895 -1.321 0.000) 12.963 1.054 ( -6.064 -6.562 0.000) 8.935 1.071 ( -4.929 1.134 0.000) 5.058 1.392 ( -9.069 -1.264 0.000) 9.157 1.473 ( -3.183 1.474 0.000) 3.508 1.616 ( -8.210 0.136 0.000) 8.211 1.670 ( -3.782 0.994 0.000) 3.911 1.676 ( -5.477 2.120 0.000) 5.873 1.710 ( -3.940 0.056 0.000) 3.940 1.888 ( -6.626 4.993 0.000) 8.297 1.959 ( -3.297 -0.517 0.000) 3.338 2.265 ( 2.196 0.120 0.000) 2.199 2.866 ( 0.387 0.910 0.000) 0.989 3.021 ( 3.514 -0.579 0.000) 3.561 3.052 ( -2.486 1.628 0.000) 2.971 3.072 ( 1.815 0.032 0.000) 1.816 3.094 ( -7.651 2.123 0.000) 7.941 3.263 ( -6.602 0.043 0.000) 6.602 3.339 ( -12.057 -6.153 0.000) 13.536 3.355 ( -6.457 0.128 0.000) 6.458 3.496 ( 3.353 2.190 0.000) 4.005 3.732 ( 2.233 -0.792 0.000) 2.369 3.897 ( -10.285 -1.164 0.000) 10.351 4.179 ( 4.486 0.951 0.000) 4.585 4.205 ( -0.561 -0.209 0.000) 0.598 4.353 ( -6.263 2.102 0.000) 6.606 4.970 ( -0.243 0.942 0.000) 0.973 5.040 ( 4.021 -0.195 0.000) 4.026 8.928 ( -12.557 4.201 0.000) 13.241 9.163 ( -8.926 -7.654 0.000) 11.759 10.021 ( 0.615 0.230 0.000) 0.657 10.098 ( 0.299 0.065 0.000) 0.306 10.131 ( 15.905 4.529 0.000) 16.537 10.299 ( 13.205 -0.411 0.000) 13.211 ======================= Grid point 44 (32/172) ======================= q-point: (-0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -9.045 2.057 0.000) 9.276 0.670 ( -14.020 3.914 0.000) 14.556 0.792 ( -0.517 -0.909 0.000) 1.046 0.993 ( -2.347 2.900 0.000) 3.731 1.015 ( -1.669 -14.383 0.000) 14.479 1.243 ( -6.490 -4.886 0.000) 8.124 1.383 ( -12.091 7.723 0.000) 14.346 1.450 ( -2.365 -0.682 0.000) 2.461 1.531 ( -7.614 2.071 0.000) 7.891 1.574 ( -8.217 3.015 0.000) 8.753 1.604 ( -2.250 2.015 0.000) 3.021 1.744 ( -4.938 -1.126 0.000) 5.064 1.897 ( -3.521 -3.154 0.000) 4.727 2.321 ( 3.180 -0.185 0.000) 3.186 2.846 ( -9.276 -0.043 0.000) 9.276 2.869 ( -8.813 4.683 0.000) 9.980 3.037 ( -4.579 0.537 0.000) 4.610 3.037 ( 1.703 2.694 0.000) 3.187 3.084 ( 0.438 -1.375 0.000) 1.443 3.146 ( -6.116 -7.850 0.000) 9.952 3.174 ( -0.892 -0.076 0.000) 0.895 3.231 ( -5.021 -0.484 0.000) 5.044 3.556 ( 3.209 2.679 0.000) 4.180 3.651 ( -12.677 -0.349 0.000) 12.682 3.781 ( 2.122 -1.894 0.000) 2.845 4.149 ( -9.088 1.079 0.000) 9.152 4.283 ( 5.812 -0.853 0.000) 5.874 4.321 ( 6.308 -0.149 0.000) 6.310 4.991 ( 2.273 1.338 0.000) 2.638 5.141 ( 5.460 -0.142 0.000) 5.462 8.619 ( -16.203 4.791 0.000) 16.896 8.960 ( -16.300 -15.034 0.000) 22.175 10.033 ( 0.628 0.158 0.000) 0.648 10.105 ( 0.406 -0.099 0.000) 0.418 10.458 ( 18.935 8.320 0.000) 20.682 10.569 ( 13.527 -1.212 0.000) 13.581 ======================= Grid point 45 (33/172) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( -10.232 5.690 0.000) 11.708 0.427 ( -4.194 15.398 0.000) 15.958 0.785 ( -0.528 -1.516 0.000) 1.605 0.944 ( -1.454 3.062 0.000) 3.390 0.982 ( -17.036 15.613 0.000) 23.108 1.069 ( -2.682 -9.584 0.000) 9.952 1.179 ( -2.524 -8.338 0.000) 8.711 1.404 ( -4.306 0.156 0.000) 4.309 1.426 ( -5.333 0.316 0.000) 5.342 1.449 ( 0.376 -1.623 0.000) 1.666 1.564 ( -0.904 3.087 0.000) 3.217 1.679 ( -3.004 -7.463 0.000) 8.045 1.877 ( 0.015 -7.077 0.000) 7.077 2.384 ( 2.689 -0.484 0.000) 2.733 2.567 ( -12.254 1.833 0.000) 12.390 2.679 ( -11.586 -3.806 0.000) 12.195 2.927 ( -4.678 0.094 0.000) 4.679 3.049 ( -3.535 -0.079 0.000) 3.536 3.091 ( 3.900 4.002 0.000) 5.588 3.169 ( 0.307 -0.269 0.000) 0.409 3.192 ( 8.399 2.091 0.000) 8.656 3.208 ( 0.639 -2.075 0.000) 2.171 3.441 ( -7.859 -0.441 0.000) 7.872 3.598 ( 1.822 2.586 0.000) 3.163 3.826 ( 1.372 -2.823 0.000) 3.139 3.922 ( -14.016 -5.448 0.000) 15.037 4.396 ( 4.438 1.443 0.000) 4.667 4.498 ( 11.080 -0.819 0.000) 11.110 5.033 ( 2.193 2.242 0.000) 3.136 5.241 ( 4.124 -0.785 0.000) 4.198 8.298 ( -12.884 1.984 0.000) 13.036 8.584 ( -28.409 -18.500 0.000) 33.901 10.044 ( 0.420 0.047 0.000) 0.423 10.114 ( 0.325 -0.326 0.000) 0.460 10.769 ( 10.981 0.404 0.000) 10.988 10.878 ( 20.263 7.570 0.000) 21.631 ======================= Grid point 46 (34/172) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.257 ( 0.000 10.159 0.000) 10.159 0.427 ( 0.000 18.839 0.000) 18.839 0.595 ( 0.000 27.969 0.000) 27.969 0.785 ( -0.000 -1.662 0.000) 1.662 0.919 ( 0.000 1.999 0.000) 1.999 1.089 ( -0.000 -9.401 0.000) 9.401 1.188 ( -0.000 -9.191 0.000) 9.191 1.354 ( -0.000 -0.100 0.000) 0.100 1.375 ( 0.000 0.322 0.000) 0.322 1.464 ( -0.000 -2.040 0.000) 2.040 1.542 ( 0.000 3.907 0.000) 3.907 1.684 ( -0.000 -8.510 0.000) 8.510 1.926 ( -0.000 -11.537 0.000) 11.537 2.416 ( -0.000 -0.600 0.000) 0.600 2.419 ( 0.000 2.696 0.000) 2.696 2.538 ( -0.000 -1.692 0.000) 1.692 2.877 ( 0.000 0.034 0.000) 0.034 3.007 ( 0.000 0.110 0.000) 0.110 3.118 ( 0.000 5.274 0.000) 5.274 3.177 ( -0.000 -0.579 0.000) 0.579 3.224 ( -0.000 -2.292 0.000) 2.292 3.360 ( -0.000 -0.630 0.000) 0.630 3.392 ( 0.000 0.501 0.000) 0.501 3.607 ( 0.000 2.352 0.000) 2.352 3.697 ( -0.000 -7.665 0.000) 7.665 3.851 ( -0.000 -3.052 0.000) 3.052 4.436 ( 0.000 1.283 0.000) 1.283 4.682 ( -0.000 -4.319 0.000) 4.319 5.049 ( 0.000 2.803 0.000) 2.803 5.297 ( -0.000 -2.073 0.000) 2.073 8.152 ( 0.000 0.119 0.000) 0.119 8.157 ( 0.000 0.013 0.000) 0.013 10.048 ( -0.000 -0.007 0.000) 0.007 10.119 ( -0.000 -0.431 0.000) 0.431 10.881 ( -0.000 -1.780 0.000) 1.780 11.169 ( -0.000 -1.357 0.000) 1.357 ======================= Grid point 53 (35/172) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 1.245 -0.000 0.000) 1.245 0.780 ( 0.522 -0.000 0.000) 0.522 1.159 ( -5.244 0.000 0.000) 5.244 1.170 ( -10.431 0.000 0.000) 10.431 1.180 ( -4.964 0.000 0.000) 4.964 1.571 ( -8.768 0.000 0.000) 8.768 1.585 ( -6.535 0.000 0.000) 6.535 1.745 ( -3.281 0.000 0.000) 3.281 1.754 ( -1.318 0.000 0.000) 1.318 1.758 ( -4.368 0.000 0.000) 4.368 1.774 ( -2.245 0.000 0.000) 2.245 1.902 ( 2.365 -0.000 0.000) 2.365 2.076 ( -5.062 0.000 0.000) 5.062 2.238 ( 0.701 -0.000 0.000) 0.701 2.903 ( -4.004 0.000 0.000) 4.004 2.938 ( 4.171 -0.000 0.000) 4.171 3.024 ( 2.827 -0.000 0.000) 2.827 3.136 ( -4.626 0.000 0.000) 4.626 3.195 ( -1.932 0.000 0.000) 1.932 3.343 ( 0.747 -0.000 0.000) 0.747 3.473 ( -5.096 0.000 0.000) 5.096 3.475 ( -3.033 0.000 0.000) 3.033 3.487 ( -2.855 0.000 0.000) 2.855 3.687 ( 1.937 -0.000 0.000) 1.937 3.998 ( -2.433 0.000 0.000) 2.433 4.146 ( -0.880 0.000 0.000) 0.880 4.280 ( -3.936 0.000 0.000) 3.936 4.452 ( -1.717 0.000 0.000) 1.717 5.009 ( -1.884 0.000 0.000) 1.884 5.029 ( -5.018 0.000 0.000) 5.018 9.158 ( -8.861 0.000 0.000) 8.861 9.272 ( -5.610 0.000 0.000) 5.610 9.866 ( 12.851 -0.000 0.000) 12.851 10.012 ( 0.508 -0.000 0.000) 0.508 10.042 ( 12.633 -0.000 0.000) 12.633 10.094 ( 0.167 -0.000 0.000) 0.167 ======================= Grid point 55 (36/172) ======================= q-point: (-0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -2.842 0.181 0.000) 2.847 0.792 ( 0.127 -0.102 0.000) 0.163 0.947 ( -11.466 -0.037 0.000) 11.466 1.019 ( -8.464 -2.712 0.000) 8.888 1.077 ( -4.601 0.419 0.000) 4.620 1.386 ( -9.556 -0.456 0.000) 9.567 1.480 ( -3.422 0.496 0.000) 3.458 1.616 ( -8.254 -0.009 0.000) 8.254 1.674 ( -3.648 0.352 0.000) 3.664 1.687 ( -5.972 0.753 0.000) 6.019 1.710 ( -3.152 -0.045 0.000) 3.153 1.921 ( -3.929 3.665 0.000) 5.373 1.950 ( -6.120 -1.988 0.000) 6.435 2.266 ( 2.130 0.045 0.000) 2.131 2.871 ( 0.944 0.393 0.000) 1.023 3.018 ( 3.603 -0.206 0.000) 3.609 3.060 ( -2.532 0.535 0.000) 2.588 3.072 ( 1.650 0.010 0.000) 1.650 3.107 ( -6.647 1.142 0.000) 6.745 3.263 ( -6.725 0.015 0.000) 6.725 3.305 ( -13.675 -2.595 0.000) 13.919 3.356 ( -6.494 0.048 0.000) 6.495 3.507 ( 3.468 0.828 0.000) 3.566 3.728 ( 2.019 -0.322 0.000) 2.044 3.892 ( -9.836 -0.394 0.000) 9.844 4.184 ( 4.342 0.440 0.000) 4.365 4.204 ( -0.683 -0.186 0.000) 0.708 4.363 ( -6.679 0.738 0.000) 6.720 4.975 ( -0.277 0.367 0.000) 0.460 5.038 ( 4.132 -0.094 0.000) 4.133 8.954 ( -11.855 2.248 0.000) 12.066 9.121 ( -10.483 -3.441 0.000) 11.034 10.023 ( 0.595 0.084 0.000) 0.601 10.098 ( 0.271 0.024 0.000) 0.272 10.154 ( 16.503 1.662 0.000) 16.586 10.297 ( 12.879 -0.222 0.000) 12.881 ======================= Grid point 56 (37/172) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -8.334 1.256 0.000) 8.428 0.715 ( -9.816 8.160 0.000) 12.765 0.786 ( -0.729 -0.615 0.000) 0.954 0.912 ( -3.822 -13.405 0.000) 13.940 1.012 ( -1.714 2.104 0.000) 2.713 1.213 ( -7.847 -3.128 0.000) 8.447 1.423 ( -8.451 3.573 0.000) 9.176 1.445 ( -2.849 -0.597 0.000) 2.911 1.543 ( -7.792 0.911 0.000) 7.845 1.603 ( -7.975 4.231 0.000) 9.028 1.615 ( -2.075 1.049 0.000) 2.325 1.736 ( -8.870 -1.053 0.000) 8.933 1.872 ( -4.255 -3.114 0.000) 5.273 2.320 ( 3.087 -0.107 0.000) 3.089 2.846 ( -8.834 -0.033 0.000) 8.834 2.908 ( -12.273 5.433 0.000) 13.422 3.041 ( -5.042 0.440 0.000) 5.061 3.043 ( 1.166 -1.684 0.000) 2.049 3.076 ( 1.007 -0.909 0.000) 1.356 3.099 ( -1.681 -3.889 0.000) 4.237 3.174 ( -0.776 -0.084 0.000) 0.780 3.229 ( -5.482 -0.230 0.000) 5.487 3.573 ( 3.183 1.681 0.000) 3.600 3.649 ( -12.581 -0.161 0.000) 12.582 3.769 ( 1.810 -1.253 0.000) 2.201 4.155 ( -10.659 0.455 0.000) 10.668 4.278 ( 6.911 -0.420 0.000) 6.924 4.320 ( 5.652 -0.110 0.000) 5.653 4.999 ( 2.428 0.817 0.000) 2.562 5.140 ( 5.342 -0.149 0.000) 5.344 8.655 ( -16.439 4.797 0.000) 17.124 8.868 ( -17.696 -9.976 0.000) 20.314 10.034 ( 0.589 0.093 0.000) 0.597 10.105 ( 0.344 -0.059 0.000) 0.349 10.507 ( 19.022 5.186 0.000) 19.717 10.559 ( 13.716 -1.700 0.000) 13.821 ======================= Grid point 57 (38/172) ======================= q-point: (-0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( -8.910 4.221 0.000) 9.859 0.552 ( 0.128 18.557 0.000) 18.557 0.774 ( -0.677 -1.309 0.000) 1.473 0.948 ( 0.411 -15.143 0.000) 15.149 0.970 ( -1.502 4.155 0.000) 4.419 1.120 ( -3.235 -7.685 0.000) 8.338 1.131 ( -15.282 16.766 0.000) 22.686 1.404 ( -4.731 -0.379 0.000) 4.746 1.427 ( -4.560 -0.081 0.000) 4.560 1.442 ( -1.451 0.051 0.000) 1.452 1.582 ( -0.797 1.883 0.000) 2.044 1.608 ( -6.366 -11.582 0.000) 13.216 1.836 ( -0.568 -4.112 0.000) 4.151 2.381 ( 2.624 -0.361 0.000) 2.649 2.583 ( -12.004 2.730 0.000) 12.310 2.653 ( -11.853 -3.356 0.000) 12.319 2.927 ( -4.728 0.070 0.000) 4.728 3.049 ( -3.334 -0.072 0.000) 3.335 3.118 ( 4.684 3.266 0.000) 5.711 3.168 ( 0.065 0.046 0.000) 0.080 3.194 ( 0.551 -1.714 0.000) 1.801 3.200 ( 9.236 0.047 0.000) 9.236 3.439 ( -7.920 -0.218 0.000) 7.923 3.616 ( 1.764 2.202 0.000) 2.821 3.806 ( 1.149 -2.405 0.000) 2.666 3.888 ( -15.957 -3.740 0.000) 16.390 4.408 ( 4.483 1.801 0.000) 4.831 4.487 ( 10.829 -1.918 0.000) 10.998 5.048 ( 2.510 1.777 0.000) 3.075 5.235 ( 3.689 -0.890 0.000) 3.795 8.315 ( -14.156 2.577 0.000) 14.389 8.478 ( -24.513 -10.915 0.000) 26.833 10.044 ( 0.390 0.039 0.000) 0.392 10.112 ( 0.267 -0.243 0.000) 0.361 10.767 ( 9.136 -0.602 0.000) 9.155 10.920 ( 19.507 3.957 0.000) 19.904 ======================= Grid point 58 (39/172) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.323 ( 0.000 7.854 0.000) 7.854 0.561 ( 0.000 17.962 0.000) 17.962 0.773 ( -0.000 -1.689 0.000) 1.689 0.799 ( 0.000 27.954 0.000) 27.954 0.938 ( 0.000 3.233 0.000) 3.233 1.011 ( -0.000 -11.771 0.000) 11.771 1.122 ( -0.000 -8.855 0.000) 8.855 1.354 ( -0.000 -0.014 0.000) 0.014 1.376 ( 0.000 0.187 0.000) 0.187 1.447 ( -0.000 -2.590 0.000) 2.590 1.566 ( 0.000 2.633 0.000) 2.633 1.595 ( -0.000 -15.925 0.000) 15.925 1.858 ( -0.000 -6.681 0.000) 6.681 2.412 ( -0.000 -0.531 0.000) 0.531 2.441 ( 0.000 3.051 0.000) 3.051 2.524 ( -0.000 -2.202 0.000) 2.202 2.877 ( 0.000 0.030 0.000) 0.030 3.007 ( 0.000 0.095 0.000) 0.095 3.157 ( 0.000 5.186 0.000) 5.186 3.173 ( -0.000 -0.353 0.000) 0.353 3.208 ( -0.000 -2.095 0.000) 2.095 3.356 ( -0.000 -0.458 0.000) 0.458 3.395 ( 0.000 0.346 0.000) 0.346 3.625 ( 0.000 2.409 0.000) 2.409 3.641 ( -0.000 -7.434 0.000) 7.434 3.828 ( -0.000 -3.046 0.000) 3.046 4.447 ( 0.000 1.615 0.000) 1.615 4.651 ( -0.000 -4.196 0.000) 4.196 5.069 ( 0.000 2.581 0.000) 2.581 5.282 ( -0.000 -2.048 0.000) 2.048 8.153 ( 0.000 0.111 0.000) 0.111 8.157 ( 0.000 0.003 0.000) 0.003 10.048 ( 0.000 0.002 0.000) 0.002 10.116 ( -0.000 -0.381 0.000) 0.381 10.869 ( -0.000 -1.542 0.000) 1.542 11.159 ( -0.000 -1.177 0.000) 1.177 ======================= Grid point 67 (40/172) ======================= q-point: (-0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -8.070 0.000 0.000) 8.070 0.764 ( -5.940 0.000 0.000) 5.940 0.784 ( -0.814 0.000 0.000) 0.814 0.844 ( -6.865 0.000 0.000) 6.865 1.020 ( -1.303 0.000 0.000) 1.303 1.201 ( -8.512 0.000 0.000) 8.512 1.438 ( -9.333 0.000 0.000) 9.333 1.441 ( -0.952 0.000 0.000) 0.952 1.546 ( -7.797 0.000 0.000) 7.797 1.619 ( -2.021 0.000 0.000) 2.021 1.621 ( -6.322 0.000 0.000) 6.322 1.731 ( -12.277 0.000 0.000) 12.277 1.859 ( -4.035 0.000 0.000) 4.035 2.319 ( 3.052 -0.000 0.000) 3.052 2.846 ( -8.763 0.000 0.000) 8.763 2.934 ( -16.343 0.000 0.000) 16.343 3.028 ( 2.997 -0.000 0.000) 2.997 3.043 ( -5.409 0.000 0.000) 5.409 3.072 ( 1.410 -0.000 0.000) 1.410 3.089 ( 0.792 -0.000 0.000) 0.792 3.173 ( -0.742 0.000 0.000) 0.742 3.228 ( -5.639 0.000 0.000) 5.639 3.579 ( 3.189 -0.000 0.000) 3.189 3.648 ( -12.546 0.000 0.000) 12.546 3.764 ( 1.681 -0.000 0.000) 1.681 4.156 ( -11.241 0.000 0.000) 11.241 4.277 ( 7.361 -0.000 0.000) 7.361 4.320 ( 5.372 -0.000 0.000) 5.372 5.002 ( 2.489 -0.000 0.000) 2.489 5.139 ( 5.290 -0.000 0.000) 5.290 8.677 ( -16.417 0.000 0.000) 16.417 8.827 ( -18.210 0.000 0.000) 18.210 10.035 ( 0.575 -0.000 0.000) 0.575 10.104 ( 0.322 -0.000 0.000) 0.322 10.531 ( 20.602 -0.000 0.000) 20.602 10.548 ( 12.166 -0.000 0.000) 12.166 ======================= Grid point 69 (41/172) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -8.185 1.578 0.000) 8.336 0.690 ( 2.053 18.693 0.000) 18.806 0.767 ( -0.775 -0.537 0.000) 0.943 0.827 ( 1.289 -17.523 0.000) 17.570 1.002 ( -0.718 3.885 0.000) 3.951 1.071 ( -4.462 -5.128 0.000) 6.798 1.234 ( -10.526 9.395 0.000) 14.109 1.398 ( -5.637 -0.932 0.000) 5.713 1.425 ( -2.920 -0.317 0.000) 2.937 1.455 ( -6.125 3.559 0.000) 7.083 1.523 ( -8.637 -10.252 0.000) 13.405 1.591 ( -0.752 0.630 0.000) 0.981 1.817 ( -0.454 -1.212 0.000) 1.294 2.379 ( 2.586 -0.133 0.000) 2.589 2.605 ( -11.813 3.078 0.000) 12.207 2.629 ( -12.081 -3.192 0.000) 12.495 2.928 ( -4.757 0.026 0.000) 4.757 3.048 ( -3.209 -0.030 0.000) 3.209 3.136 ( 5.490 1.508 0.000) 5.693 3.170 ( -0.215 0.229 0.000) 0.314 3.184 ( 0.630 -0.830 0.000) 1.042 3.197 ( 9.283 -0.460 0.000) 9.295 3.438 ( -7.948 -0.062 0.000) 7.948 3.628 ( 1.759 0.915 0.000) 1.983 3.793 ( 0.995 -0.995 0.000) 1.407 3.869 ( -16.970 -1.332 0.000) 17.023 4.420 ( 4.132 1.110 0.000) 4.278 4.474 ( 10.944 -1.238 0.000) 11.014 5.058 ( 2.713 0.691 0.000) 2.799 5.230 ( 3.395 -0.396 0.000) 3.418 8.333 ( -15.447 1.966 0.000) 15.572 8.421 ( -21.649 -4.499 0.000) 22.112 10.044 ( 0.373 0.015 0.000) 0.373 10.110 ( 0.234 -0.090 0.000) 0.250 10.763 ( 8.670 -0.276 0.000) 8.675 10.938 ( 18.558 1.173 0.000) 18.595 ======================= Grid point 70 (42/172) ======================= q-point: (-0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 0.000 4.403 0.000) 4.403 0.688 ( 0.000 16.627 0.000) 16.627 0.762 ( -0.000 -1.129 0.000) 1.129 0.919 ( -0.000 -13.564 0.000) 13.564 0.967 ( 0.000 4.778 0.000) 4.778 0.997 ( 0.000 25.662 0.000) 25.662 1.061 ( -0.000 -7.887 0.000) 7.887 1.354 ( 0.000 0.010 0.000) 0.010 1.377 ( 0.000 0.084 0.000) 0.084 1.407 ( -0.000 -12.257 0.000) 12.257 1.482 ( -0.000 -9.891 0.000) 9.891 1.580 ( 0.000 1.314 0.000) 1.314 1.826 ( -0.000 -2.498 0.000) 2.498 2.409 ( -0.000 -0.311 0.000) 0.311 2.463 ( 0.000 3.123 0.000) 3.123 2.506 ( -0.000 -2.642 0.000) 2.642 2.878 ( 0.000 0.017 0.000) 0.017 3.008 ( 0.000 0.055 0.000) 0.055 3.172 ( -0.000 -0.028 0.000) 0.028 3.189 ( 0.000 3.507 0.000) 3.507 3.195 ( -0.000 -1.370 0.000) 1.370 3.353 ( -0.000 -0.241 0.000) 0.241 3.397 ( 0.000 0.176 0.000) 0.176 3.594 ( -0.000 -4.867 0.000) 4.867 3.641 ( 0.000 1.674 0.000) 1.674 3.809 ( -0.000 -2.053 0.000) 2.053 4.458 ( 0.000 1.314 0.000) 1.314 4.624 ( -0.000 -2.789 0.000) 2.789 5.085 ( 0.000 1.618 0.000) 1.618 5.269 ( -0.000 -1.345 0.000) 1.345 8.153 ( 0.000 0.069 0.000) 0.069 8.157 ( -0.000 -0.004 0.000) 0.004 10.048 ( 0.000 0.005 0.000) 0.005 10.114 ( -0.000 -0.224 0.000) 0.224 10.859 ( -0.000 -0.890 0.000) 0.890 11.152 ( -0.000 -0.680 0.000) 0.680 ======================= Grid point 82 (43/172) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 0.000 0.000 0.000) 0.000 0.758 ( 0.000 0.000 0.000) 0.000 0.785 ( 0.000 0.000 0.000) 0.000 0.832 ( -0.000 -0.000 0.000) 0.000 1.006 ( 0.000 0.000 0.000) 0.000 1.011 ( -0.000 -0.000 0.000) 0.000 1.125 ( -0.000 -0.000 0.000) 0.000 1.316 ( 0.000 0.000 0.000) 0.000 1.354 ( 0.000 0.000 0.000) 0.000 1.378 ( 0.000 0.000 0.000) 0.000 1.457 ( 0.000 0.000 0.000) 0.000 1.585 ( 0.000 0.000 0.000) 0.000 1.817 ( 0.000 0.000 0.000) 0.000 2.407 ( 0.000 0.000 0.000) 0.000 2.485 ( -0.000 -2.967 0.000) 2.967 2.486 ( 0.000 2.967 0.000) 2.967 2.878 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.172 ( -0.000 -0.000 0.000) 0.000 3.190 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.352 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.576 ( 0.000 0.000 0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 4.464 ( 0.000 0.000 0.000) 0.000 4.614 ( 0.000 0.000 0.000) 0.000 5.091 ( 0.000 0.000 0.000) 0.000 5.264 ( 0.000 0.000 0.000) 0.000 8.154 ( 0.000 0.000 0.000) 0.000 8.157 ( 0.000 0.000 0.000) 0.000 10.048 ( 0.000 0.000 0.000) 0.000 10.113 ( 0.000 0.000 0.000) 0.000 10.856 ( 0.000 0.000 0.000) 0.000 11.150 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 151 (44/172) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.203 ( 0.000 0.000 12.012) 12.012 0.299 ( 0.000 0.000 15.776) 15.776 0.538 ( 0.000 0.000 27.325) 27.325 0.861 ( 0.000 0.000 5.341) 5.341 1.207 ( 0.000 0.000 1.051) 1.051 1.262 ( 0.000 0.000 0.168) 0.168 1.330 ( 0.000 0.000 -3.613) 3.613 1.355 ( 0.000 0.000 -0.666) 0.666 1.433 ( 0.000 0.000 -4.879) 4.879 1.467 ( 0.000 0.000 1.416) 1.416 1.689 ( 0.000 0.000 2.509) 2.509 1.765 ( 0.000 0.000 2.919) 2.919 2.105 ( 0.000 0.000 0.113) 0.113 2.380 ( 0.000 0.000 -0.598) 0.598 2.394 ( 0.000 0.000 -3.366) 3.366 2.526 ( 0.000 0.000 -2.870) 2.870 2.878 ( 0.000 0.000 -2.114) 2.114 2.910 ( 0.000 0.000 3.127) 3.127 2.977 ( 0.000 0.000 -6.250) 6.250 3.019 ( 0.000 0.000 1.342) 1.342 3.304 ( 0.000 0.000 4.980) 4.980 3.367 ( 0.000 0.000 -0.752) 0.752 3.372 ( 0.000 0.000 -0.659) 0.659 3.637 ( 0.000 0.000 6.555) 6.555 3.911 ( 0.000 0.000 2.261) 2.261 3.926 ( 0.000 0.000 0.175) 0.175 4.385 ( 0.000 0.000 -3.985) 3.985 4.432 ( 0.000 0.000 -6.160) 6.160 4.997 ( 0.000 0.000 -1.271) 1.271 5.254 ( 0.000 0.000 -3.287) 3.287 8.151 ( 0.000 0.000 0.119) 0.119 8.157 ( 0.000 0.000 0.049) 0.049 10.170 ( 0.000 0.000 4.250) 4.250 10.385 ( 0.000 0.000 2.222) 2.222 10.830 ( 0.000 0.000 -7.277) 7.277 10.929 ( 0.000 0.000 -1.894) 1.894 ======================= Grid point 152 (45/172) ======================= q-point: ( 0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 15.577 3.103 6.471) 17.150 0.466 ( 11.363 -4.448 10.783) 16.284 0.776 ( 19.350 -3.782 15.945) 25.357 0.864 ( 0.673 -0.851 5.525) 5.631 1.120 ( -8.727 1.802 9.081) 12.723 1.245 ( 3.591 2.140 0.868) 4.269 1.377 ( 0.115 2.278 0.629) 2.366 1.392 ( 5.627 -0.118 -3.138) 6.444 1.399 ( 1.990 0.876 0.244) 2.188 1.488 ( 1.524 1.194 1.501) 2.449 1.529 ( -2.834 -2.669 6.532) 7.604 1.753 ( -0.281 0.643 0.772) 1.043 2.000 ( -6.565 1.379 0.359) 6.718 2.368 ( -2.436 -0.134 -2.853) 3.754 2.549 ( 13.194 0.307 -1.054) 13.239 2.721 ( 10.453 3.349 -7.979) 13.570 2.871 ( -1.443 -4.795 -2.376) 5.542 2.940 ( 0.284 -0.810 -2.813) 2.941 3.044 ( 7.951 -0.009 -0.994) 8.013 3.067 ( 4.481 -0.454 1.507) 4.749 3.291 ( -0.994 0.797 5.143) 5.298 3.336 ( -1.834 -0.049 8.488) 8.684 3.446 ( 7.663 0.280 -0.728) 7.703 3.632 ( -1.556 -0.497 6.531) 6.732 3.885 ( -0.587 3.669 1.262) 3.925 3.960 ( 2.224 -2.233 -4.772) 5.718 4.349 ( -3.213 0.583 -3.907) 5.092 4.392 ( -4.408 -1.505 -5.796) 7.436 4.975 ( -1.734 -0.634 -1.813) 2.587 5.210 ( -4.109 0.024 -3.303) 5.272 8.275 ( 11.013 -0.224 0.087) 11.016 8.702 ( 30.352 4.588 -26.993) 40.876 10.155 ( -1.362 1.120 3.364) 3.798 10.316 ( -5.036 7.827 4.693) 10.423 10.576 ( -20.641 -10.833 13.419) 26.897 10.765 ( -8.332 0.122 -4.346) 9.398 ======================= Grid point 153 (46/172) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 10.461 -0.392 7.606) 12.940 0.739 ( 13.094 1.354 2.634) 13.425 0.872 ( 2.439 1.529 5.530) 6.234 1.027 ( 0.746 -1.448 6.906) 7.096 1.228 ( 17.524 -4.471 7.983) 19.769 1.297 ( 3.261 6.276 0.868) 7.126 1.387 ( 2.321 1.202 2.062) 3.329 1.467 ( 3.316 -0.885 0.762) 3.515 1.492 ( 2.182 1.373 2.022) 3.276 1.527 ( 7.024 -0.575 -1.917) 7.304 1.574 ( 3.780 -2.951 2.458) 5.388 1.754 ( 0.732 0.429 -0.883) 1.225 1.903 ( -2.334 -0.766 -0.756) 2.571 2.312 ( -2.932 -0.083 -1.676) 3.379 2.824 ( 11.580 1.384 -1.413) 11.747 2.829 ( 2.722 0.750 -1.922) 3.415 2.895 ( 2.266 -4.385 -3.544) 6.076 3.000 ( 6.401 -0.067 -3.590) 7.339 3.151 ( 2.549 0.401 3.510) 4.357 3.210 ( 5.050 0.218 2.482) 5.631 3.280 ( 1.754 1.390 4.358) 4.899 3.342 ( 4.790 1.724 6.301) 8.100 3.580 ( -2.792 0.288 6.652) 7.220 3.654 ( 11.825 -0.375 -0.540) 11.844 3.849 ( -1.850 0.561 3.255) 3.786 4.041 ( 4.690 -1.874 -6.761) 8.439 4.268 ( -4.374 1.326 -4.171) 6.188 4.283 ( -5.861 -0.628 -3.931) 7.085 4.940 ( -1.802 -0.769 -2.286) 3.011 5.108 ( -5.525 0.019 -3.274) 6.422 8.552 ( 15.297 -1.089 0.157) 15.336 9.096 ( 13.264 6.167 -18.218) 23.364 10.095 ( -4.567 2.637 0.985) 5.365 10.189 ( -3.922 2.929 6.859) 8.426 10.297 ( -12.448 -9.034 9.585) 18.122 10.550 ( -12.672 0.078 -3.350) 13.107 ======================= Grid point 154 (47/172) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 2.220 0.388 5.062) 5.541 0.830 ( 0.013 -0.373 3.470) 3.490 1.044 ( 11.543 3.836 2.684) 12.456 1.117 ( 6.611 -1.882 6.595) 9.526 1.277 ( 0.530 8.914 2.511) 9.276 1.417 ( 2.650 -3.721 0.767) 4.632 1.466 ( 4.870 1.308 3.284) 6.017 1.558 ( 2.783 -3.661 0.768) 4.663 1.643 ( 5.403 -1.028 0.040) 5.500 1.670 ( 6.787 -0.532 2.263) 7.174 1.691 ( 10.694 -0.998 0.706) 10.764 1.793 ( 4.720 -2.243 -0.843) 5.294 1.911 ( 1.944 -1.614 -2.537) 3.581 2.259 ( -2.291 -0.004 -0.683) 2.391 2.843 ( 1.604 0.187 -0.718) 1.768 2.956 ( 3.739 -2.059 -3.232) 5.354 3.054 ( 8.502 -0.048 -1.213) 8.588 3.100 ( 1.092 -0.026 4.618) 4.745 3.134 ( -2.466 0.413 6.449) 6.916 3.260 ( 3.242 0.403 0.998) 3.416 3.371 ( 6.061 0.428 2.133) 6.440 3.466 ( 3.217 -0.127 1.834) 3.705 3.532 ( 0.588 3.118 5.553) 6.396 3.761 ( -2.504 -0.942 1.182) 2.925 3.951 ( 12.134 2.901 1.002) 12.516 4.117 ( -0.748 -1.203 -4.491) 4.709 4.159 ( -1.966 -1.392 -3.583) 4.318 4.259 ( 2.994 -1.705 -3.018) 4.580 4.923 ( 0.422 -0.690 -2.336) 2.472 5.012 ( -3.462 0.112 -3.102) 4.650 8.854 ( 13.785 -1.687 0.124) 13.888 9.253 ( 5.467 4.625 -9.024) 11.520 9.958 ( -8.813 -1.553 -1.062) 9.011 10.118 ( -5.616 -1.436 5.432) 7.944 10.141 ( -2.760 0.113 4.951) 5.669 10.286 ( -13.037 -0.423 -1.042) 13.086 ======================= Grid point 155 (48/172) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -1.399 -0.026 2.904) 3.224 0.824 ( -1.058 -0.037 4.482) 4.605 1.199 ( 3.277 1.344 2.285) 4.215 1.232 ( 6.130 1.395 4.821) 7.922 1.294 ( 3.299 3.702 3.431) 6.030 1.507 ( 4.742 -5.319 1.180) 7.223 1.579 ( 4.210 -2.603 0.743) 5.005 1.619 ( 4.158 -1.119 2.393) 4.926 1.728 ( 3.358 -1.031 -0.756) 3.593 1.769 ( 3.537 0.574 0.522) 3.621 1.792 ( 2.548 -0.457 -0.115) 2.591 1.939 ( 2.585 1.907 -2.560) 4.108 2.020 ( 9.498 -1.893 -0.555) 9.701 2.224 ( -1.105 -0.143 -0.739) 1.337 2.900 ( 4.287 0.403 -0.144) 4.308 3.047 ( -0.430 0.257 4.309) 4.338 3.055 ( 1.668 -0.758 1.131) 2.153 3.091 ( -2.303 -0.846 8.258) 8.615 3.165 ( 2.644 -0.106 -0.760) 2.753 3.303 ( -0.415 -0.068 -0.880) 0.976 3.468 ( 1.456 -0.890 1.211) 2.093 3.493 ( 3.715 -1.150 2.627) 4.693 3.563 ( 1.784 2.603 3.353) 4.605 3.704 ( -2.947 -0.461 1.365) 3.280 4.045 ( -1.853 1.684 -2.452) 3.505 4.112 ( 5.040 2.651 -2.572) 6.249 4.242 ( 4.460 -1.948 -1.918) 5.231 4.344 ( 2.525 -3.859 -2.358) 5.180 4.980 ( 4.912 -0.136 -1.990) 5.302 5.002 ( 3.265 -0.068 -2.424) 4.067 9.105 ( 10.987 -1.332 -0.185) 11.069 9.313 ( 2.546 2.473 -4.178) 5.482 9.772 ( -9.869 -2.322 -0.841) 10.173 9.986 ( -10.570 -0.258 -2.786) 10.934 10.072 ( -3.456 0.452 4.910) 6.021 10.127 ( -1.683 -0.786 3.378) 3.855 ======================= Grid point 156 (49/172) ======================= q-point: ( 0.42 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -1.100 -0.384 2.958) 3.179 0.797 ( -1.311 0.157 3.479) 3.722 1.245 ( 2.396 1.071 1.193) 2.883 1.316 ( 1.878 -0.883 1.260) 2.428 1.344 ( 2.278 -0.020 6.673) 7.051 1.591 ( 0.903 -4.024 1.295) 4.323 1.652 ( 4.648 -2.414 1.219) 5.377 1.740 ( 5.572 1.280 0.286) 5.724 1.777 ( 1.601 -0.105 -0.411) 1.656 1.814 ( -0.825 -0.478 0.379) 1.026 1.826 ( 1.961 -0.558 0.734) 2.167 1.956 ( 0.611 2.585 -1.601) 3.102 2.163 ( 4.399 1.123 -3.024) 5.455 2.218 ( 0.314 -0.257 -1.400) 1.458 2.975 ( -1.973 0.563 9.799) 10.012 3.005 ( 4.618 0.360 0.377) 4.648 3.050 ( -1.601 -0.460 9.008) 9.160 3.149 ( 3.389 -1.412 -3.256) 4.907 3.175 ( -1.021 -0.361 -0.738) 1.310 3.266 ( -2.422 -0.125 -0.374) 2.454 3.458 ( -1.838 -0.879 0.662) 2.142 3.571 ( 3.086 -0.322 1.977) 3.679 3.604 ( 2.464 0.610 3.434) 4.271 3.655 ( -2.003 -0.158 0.757) 2.147 4.036 ( 0.948 0.035 -1.285) 1.597 4.193 ( 3.801 2.592 -2.835) 5.404 4.275 ( -0.586 -0.069 -2.773) 2.835 4.362 ( -1.738 -3.477 -2.590) 4.671 5.090 ( 5.486 0.492 -1.331) 5.667 5.116 ( 5.760 -0.542 -1.558) 5.991 9.312 ( 9.516 -0.495 -0.924) 9.573 9.361 ( 3.497 0.922 -2.136) 4.200 9.597 ( -8.022 -1.113 -0.844) 8.143 9.755 ( -11.686 -0.683 -2.177) 11.907 10.037 ( -0.787 -0.062 3.724) 3.807 10.113 ( -0.361 -0.162 2.301) 2.334 ======================= Grid point 157 (50/172) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.000 -0.000 3.351) 3.351 0.781 ( 0.000 -0.000 2.710) 2.710 1.272 ( 0.000 -0.000 0.689) 0.689 1.331 ( 0.000 -0.000 -0.137) 0.137 1.370 ( 0.000 -0.000 7.834) 7.834 1.606 ( 0.000 0.000 1.141) 1.141 1.747 ( -0.000 0.000 0.620) 0.620 1.759 ( 0.000 -0.000 0.416) 0.416 1.787 ( 0.000 -0.000 0.223) 0.223 1.809 ( 0.000 -0.000 0.744) 0.744 1.847 ( -0.000 -0.000 0.447) 0.447 1.957 ( 0.000 -0.000 -1.121) 1.121 2.200 ( 0.000 -0.000 -4.171) 4.171 2.226 ( 0.000 -0.000 -1.913) 1.913 2.946 ( 0.000 0.000 11.002) 11.002 3.034 ( 0.000 -0.000 9.435) 9.435 3.087 ( 0.000 -0.000 0.027) 0.027 3.129 ( -0.000 -0.000 -0.950) 0.950 3.215 ( -0.000 -0.000 -2.069) 2.069 3.222 ( 0.000 -0.000 -2.370) 2.370 3.436 ( 0.000 0.000 1.769) 1.769 3.615 ( 0.000 -0.000 3.050) 3.050 3.623 ( -0.000 -0.000 -0.762) 0.762 3.631 ( 0.000 -0.000 2.894) 2.894 4.054 ( 0.000 -0.000 -0.368) 0.368 4.220 ( 0.000 -0.000 -2.938) 2.938 4.278 ( -0.000 -0.000 -3.052) 3.052 4.335 ( 0.000 -0.000 -3.190) 3.190 5.151 ( 0.000 -0.000 -1.023) 1.023 5.181 ( 0.000 -0.000 -1.306) 1.306 9.418 ( 0.000 -0.000 -1.560) 1.560 9.464 ( 0.000 -0.000 -2.418) 2.418 9.517 ( 0.000 -0.000 -0.636) 0.636 9.558 ( -0.000 -0.000 -1.019) 1.019 10.030 ( 0.000 0.000 3.253) 3.253 10.110 ( 0.000 -0.000 1.997) 1.997 ======================= Grid point 165 (51/172) ======================= q-point: ( 0.08 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 10.202 -0.000 8.021) 12.977 0.745 ( 13.218 -0.000 1.471) 13.300 0.879 ( 2.915 -0.000 5.808) 6.499 1.020 ( 0.711 -0.000 6.520) 6.558 1.210 ( 18.839 -0.000 8.977) 20.868 1.325 ( 3.127 -0.000 0.725) 3.210 1.388 ( 1.544 -0.000 0.966) 1.821 1.463 ( 3.432 -0.000 0.572) 3.479 1.501 ( 1.093 -0.000 3.600) 3.762 1.525 ( 6.828 -0.000 -2.054) 7.130 1.561 ( 4.541 -0.000 2.099) 5.003 1.755 ( 0.541 -0.000 -0.938) 1.082 1.900 ( -2.773 0.000 -0.764) 2.876 2.311 ( -2.905 0.000 -1.753) 3.393 2.827 ( 11.878 -0.000 -1.793) 12.013 2.838 ( 0.921 -0.000 -0.905) 1.291 2.874 ( 3.831 -0.000 -4.060) 5.582 2.999 ( 6.472 -0.000 -3.571) 7.392 3.153 ( 2.593 -0.000 3.430) 4.300 3.210 ( 4.830 -0.000 2.588) 5.480 3.285 ( 1.550 -0.000 4.180) 4.458 3.348 ( 5.299 -0.000 6.336) 8.260 3.582 ( -2.952 0.000 7.431) 7.996 3.653 ( 12.022 -0.000 -1.182) 12.080 3.851 ( -1.835 0.000 3.168) 3.661 4.033 ( 4.395 -0.000 -6.885) 8.168 4.275 ( -3.669 0.000 -3.395) 4.998 4.278 ( -6.532 0.000 -4.727) 8.063 4.937 ( -1.729 0.000 -2.310) 2.886 5.108 ( -5.531 0.000 -3.233) 6.407 8.549 ( 15.225 -0.000 0.213) 15.226 9.119 ( 12.618 -0.000 -19.738) 23.426 10.106 ( -4.779 0.000 0.123) 4.781 10.209 ( -5.712 0.000 5.143) 7.686 10.252 ( -10.193 0.000 13.547) 16.953 10.550 ( -12.705 0.000 -3.467) 13.170 ======================= Grid point 166 (52/172) ======================= q-point: ( 0.17 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 2.722 0.195 5.666) 6.289 0.828 ( -0.390 -0.199 2.938) 2.970 1.070 ( 11.051 2.748 2.844) 11.738 1.102 ( 7.078 -1.930 6.022) 9.492 1.338 ( 0.433 7.644 1.692) 7.841 1.385 ( 1.494 -5.193 1.076) 5.510 1.469 ( 4.325 -0.090 2.666) 5.082 1.539 ( 2.586 -1.327 2.675) 3.951 1.636 ( 4.450 -0.668 -0.442) 4.522 1.671 ( 7.374 0.536 1.862) 7.625 1.682 ( 13.537 -1.051 1.790) 13.695 1.782 ( 3.241 -0.675 -1.259) 3.542 1.902 ( 2.275 -0.581 -2.746) 3.613 2.259 ( -2.292 -0.001 -0.646) 2.381 2.844 ( 1.631 0.134 -0.600) 1.743 2.946 ( 4.042 -0.789 -3.029) 5.112 3.054 ( 8.565 -0.000 -1.127) 8.638 3.100 ( 1.439 -0.024 4.317) 4.550 3.136 ( -2.952 0.170 6.677) 7.302 3.262 ( 3.296 0.122 1.176) 3.502 3.373 ( 5.913 0.176 2.324) 6.356 3.461 ( 1.095 -0.547 2.710) 2.973 3.553 ( 2.067 1.797 5.161) 5.842 3.755 ( -2.317 -0.536 0.323) 2.400 3.967 ( 12.913 1.305 1.491) 13.064 4.110 ( 2.201 -0.592 -5.118) 5.603 4.151 ( -5.066 -0.688 -3.454) 6.170 4.250 ( 2.151 -0.555 -2.739) 3.527 4.920 ( 0.505 -0.246 -2.291) 2.359 5.012 ( -3.420 0.034 -3.056) 4.587 8.846 ( 13.880 -0.573 0.244) 13.894 9.276 ( 4.616 1.711 -10.053) 11.194 9.950 ( -9.636 -0.623 -0.383) 9.664 10.109 ( -5.213 -0.679 6.672) 8.494 10.143 ( -1.786 0.202 4.519) 4.863 10.284 ( -13.309 -0.166 -1.335) 13.377 ======================= Grid point 167 (53/172) ======================= q-point: ( 0.25 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -1.564 -0.017 3.025) 3.406 0.824 ( -0.975 -0.017 4.497) 4.602 1.207 ( 2.954 0.781 2.158) 3.741 1.238 ( 6.010 0.317 6.409) 8.792 1.327 ( 0.983 4.858 1.435) 5.160 1.465 ( 4.793 -5.596 1.691) 7.559 1.561 ( 3.417 -1.829 1.048) 4.016 1.617 ( 6.156 0.189 3.025) 6.862 1.721 ( 3.747 -0.646 -0.968) 3.924 1.774 ( 3.275 0.717 0.568) 3.401 1.787 ( 2.093 -0.832 -0.314) 2.274 1.951 ( 2.688 1.229 -2.667) 3.981 2.009 ( 11.291 -1.193 -0.416) 11.362 2.223 ( -1.169 -0.084 -0.615) 1.324 2.903 ( 4.256 0.255 -0.003) 4.263 3.042 ( 4.838 -0.897 -2.924) 5.724 3.059 ( -3.607 0.920 8.407) 9.195 3.085 ( -2.244 -0.818 8.439) 8.770 3.165 ( 2.654 -0.045 -0.537) 2.708 3.303 ( -0.663 -0.125 -0.011) 0.675 3.462 ( 0.803 -0.627 1.218) 1.588 3.487 ( 4.749 -0.458 2.265) 5.282 3.579 ( 0.753 1.656 3.879) 4.284 3.700 ( -2.822 -0.481 0.935) 3.012 4.051 ( -2.533 0.196 -2.626) 3.654 4.141 ( 5.111 4.693 -2.912) 7.524 4.222 ( 5.349 -3.479 -1.446) 6.542 4.321 ( 2.442 -2.250 -2.146) 3.954 4.979 ( 5.386 -0.073 -1.871) 5.702 5.002 ( 2.884 -0.044 -2.370) 3.733 9.098 ( 11.273 -0.705 -0.057) 11.295 9.327 ( 1.836 1.417 -4.619) 5.168 9.758 ( -9.532 -1.381 -0.162) 9.632 9.984 ( -10.546 -0.179 -2.429) 10.823 10.075 ( -4.160 0.341 5.084) 6.578 10.122 ( -1.046 -0.516 3.175) 3.383 ======================= Grid point 168 (54/172) ======================= q-point: ( 0.33 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -1.110 -0.260 3.012) 3.221 0.798 ( -1.285 0.091 3.501) 3.730 1.253 ( 2.642 1.018 1.453) 3.182 1.309 ( 0.568 -0.886 1.625) 1.936 1.344 ( 2.093 -0.030 6.561) 6.887 1.567 ( 2.950 -2.654 1.210) 4.148 1.637 ( 4.350 -1.579 1.725) 4.939 1.750 ( 5.830 1.257 0.627) 5.997 1.777 ( 1.609 -0.012 -0.736) 1.769 1.805 ( 0.359 -1.686 -0.148) 1.730 1.825 ( 0.798 0.092 1.324) 1.548 1.973 ( 0.420 1.955 -1.799) 2.690 2.171 ( 4.558 0.818 -3.073) 5.558 2.216 ( 0.320 -0.247 -1.365) 1.424 2.979 ( -1.853 0.435 9.419) 9.610 3.008 ( 4.209 0.325 0.798) 4.296 3.047 ( -1.455 -0.419 9.138) 9.262 3.140 ( 3.934 -1.043 -3.224) 5.192 3.172 ( -1.416 -0.263 -0.366) 1.486 3.265 ( -2.210 -0.127 0.285) 2.232 3.452 ( -1.610 -0.560 0.393) 1.749 3.569 ( 3.142 -0.265 2.048) 3.760 3.608 ( 2.150 0.525 3.790) 4.389 3.654 ( -1.915 -0.222 0.557) 2.007 4.035 ( 0.694 -0.164 -1.360) 1.536 4.215 ( 3.476 3.434 -2.794) 5.628 4.273 ( 0.063 -0.615 -2.741) 2.810 4.336 ( -1.552 -3.322 -2.448) 4.409 5.093 ( 5.308 0.384 -1.337) 5.487 5.112 ( 5.960 -0.429 -1.432) 6.144 9.309 ( 9.810 -0.324 -0.849) 9.852 9.367 ( 3.091 0.656 -2.296) 3.905 9.590 ( -7.477 -0.823 -0.413) 7.534 9.751 ( -11.810 -0.512 -2.001) 11.990 10.037 ( -0.800 -0.050 3.830) 3.913 10.112 ( -0.284 -0.114 2.291) 2.312 ======================= Grid point 169 (55/172) ======================= q-point: ( 0.42 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.268 -0.004 3.350) 3.361 0.781 ( -0.152 0.004 2.711) 2.715 1.272 ( -0.962 -0.059 0.699) 1.190 1.332 ( 1.603 0.132 -0.161) 1.616 1.370 ( 0.029 -0.007 7.835) 7.835 1.608 ( 1.152 0.474 1.073) 1.645 1.736 ( 4.233 -2.081 1.066) 4.836 1.766 ( -3.145 1.160 0.031) 3.352 1.788 ( -0.518 0.225 0.418) 0.703 1.808 ( -0.674 -0.431 0.564) 0.978 1.847 ( 0.909 -0.134 0.431) 1.014 1.961 ( -0.925 1.025 -1.116) 1.775 2.200 ( -0.690 -0.060 -4.194) 4.250 2.225 ( 0.002 -0.243 -1.876) 1.891 2.946 ( -0.244 -0.003 11.000) 11.003 3.034 ( 0.168 0.007 9.442) 9.444 3.086 ( -0.301 -0.029 0.037) 0.305 3.129 ( 0.302 0.037 -0.962) 1.009 3.212 ( 2.463 -0.608 -2.258) 3.397 3.225 ( -1.705 0.602 -2.189) 2.840 3.437 ( 0.369 0.061 1.790) 1.828 3.614 ( 0.301 -0.172 3.006) 3.026 3.623 ( -0.159 0.009 -0.802) 0.817 3.631 ( -0.144 0.105 2.958) 2.964 4.053 ( 0.122 -0.203 -0.360) 0.431 4.223 ( -0.654 0.979 -2.950) 3.176 4.273 ( -1.602 -1.238 -3.046) 3.658 4.337 ( 2.496 0.468 -3.188) 4.076 5.150 ( -0.224 -0.137 -1.018) 1.051 5.181 ( 0.233 0.120 -1.310) 1.336 9.418 ( -1.198 0.137 -1.588) 1.994 9.462 ( 3.020 -0.329 -2.323) 3.824 9.519 ( -4.960 0.306 -0.717) 5.021 9.558 ( 3.709 -0.113 -1.005) 3.844 10.030 ( 0.037 -0.006 3.252) 3.252 10.110 ( 0.049 0.005 1.999) 1.999 ======================= Grid point 170 (56/172) ======================= q-point: (-0.50 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 1.075 0.448 2.874) 3.101 0.795 ( 1.356 -0.225 3.474) 3.736 1.238 ( -2.386 -0.886 0.929) 2.709 1.322 ( -2.963 0.710 0.738) 3.135 1.344 ( -2.455 -0.007 6.951) 7.372 1.624 ( 1.394 4.781 1.224) 5.129 1.671 ( -4.928 2.853 0.649) 5.731 1.732 ( -5.502 -1.013 0.067) 5.595 1.777 ( -1.468 -0.240 -0.021) 1.488 1.811 ( 1.253 -1.146 0.248) 1.716 1.833 ( -2.099 0.846 0.626) 2.348 1.938 ( -1.308 -2.228 -1.292) 2.889 2.155 ( -4.147 -1.188 -2.963) 5.233 2.219 ( -0.242 0.205 -1.471) 1.505 2.971 ( 2.033 -0.530 10.080) 10.297 3.003 ( -4.951 -0.308 0.023) 4.961 3.053 ( 1.732 0.377 8.904) 9.079 3.159 ( -2.559 1.420 -3.179) 4.321 3.177 ( 0.348 0.347 -1.311) 1.400 3.267 ( 2.617 0.064 -1.111) 2.844 3.465 ( 2.145 1.028 1.008) 2.583 3.573 ( -3.000 0.218 1.833) 3.522 3.600 ( -2.806 -0.462 3.205) 4.284 3.656 ( 2.043 0.007 0.822) 2.202 4.034 ( -1.355 -0.366 -1.150) 1.815 4.178 ( -3.947 -1.460 -3.022) 5.181 4.275 ( 1.096 -0.104 -2.751) 2.963 4.385 ( 2.080 2.861 -2.712) 4.457 5.086 ( -5.567 -0.483 -1.344) 5.747 5.120 ( -5.650 0.518 -1.684) 5.919 9.316 ( -9.170 0.607 -0.992) 9.243 9.354 ( -3.940 -1.006 -1.995) 4.529 9.605 ( 8.612 1.103 -1.325) 8.782 9.760 ( 11.549 0.664 -2.374) 11.810 10.038 ( 0.772 0.054 3.599) 3.681 10.114 ( 0.451 0.169 2.313) 2.363 ======================= Grid point 171 (57/172) ======================= q-point: (-0.42 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 1.173 0.026 2.738) 2.979 0.824 ( 1.173 0.055 4.463) 4.615 1.188 ( -3.419 -1.729 2.317) 4.478 1.217 ( -7.222 -2.537 2.307) 7.995 1.277 ( -4.389 -1.194 6.204) 7.693 1.540 ( -5.449 3.952 0.913) 6.793 1.589 ( -7.295 0.187 1.125) 7.383 1.642 ( -0.367 5.078 0.843) 5.161 1.735 ( -2.790 0.788 -0.808) 3.010 1.767 ( -3.705 -0.115 0.730) 3.778 1.792 ( -3.297 -0.244 0.091) 3.308 1.924 ( -1.723 -2.297 -2.441) 3.769 2.036 ( -7.584 2.198 -0.688) 7.926 2.225 ( 1.021 0.162 -0.912) 1.379 2.897 ( -4.309 -0.419 -0.321) 4.342 3.041 ( 3.259 -0.977 8.475) 9.133 3.067 ( -4.287 1.817 -3.056) 5.570 3.097 ( 2.169 0.691 7.992) 8.310 3.166 ( -2.608 0.175 -1.125) 2.846 3.303 ( 0.042 -0.172 -2.009) 2.017 3.474 ( -2.731 0.778 1.233) 3.096 3.504 ( -1.938 1.837 2.959) 3.986 3.543 ( -3.056 -2.722 3.061) 5.111 3.706 ( 2.965 0.068 1.636) 3.387 4.026 ( -0.370 -3.159 -2.031) 3.774 4.103 ( -3.004 -0.041 -2.882) 4.163 4.252 ( -4.077 0.965 -1.996) 4.640 4.374 ( -2.450 3.969 -2.627) 5.353 4.981 ( -4.210 0.173 -2.158) 4.734 5.003 ( -3.837 0.062 -2.494) 4.577 9.117 ( -10.527 1.790 -0.372) 10.685 9.292 ( -3.542 -2.988 -3.641) 5.893 9.791 ( 10.300 2.606 -1.683) 10.757 9.988 ( 10.522 0.196 -3.289) 11.026 10.069 ( 2.845 -0.359 4.793) 5.586 10.133 ( 2.272 0.801 3.543) 4.284 ======================= Grid point 172 (58/172) ======================= q-point: (-0.33 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -1.795 -0.383 4.518) 4.876 0.832 ( -0.323 0.289 3.858) 3.883 1.017 ( -12.011 -3.344 2.787) 12.775 1.128 ( -5.519 0.895 6.735) 8.753 1.213 ( -2.031 -8.276 3.766) 9.317 1.440 ( -4.018 2.226 0.962) 4.693 1.453 ( -4.911 -1.355 2.840) 5.832 1.586 ( -3.711 3.652 -0.379) 5.220 1.649 ( -7.098 0.497 0.281) 7.120 1.680 ( -4.317 1.814 2.400) 5.262 1.695 ( -7.894 0.217 -0.398) 7.907 1.815 ( -6.438 3.789 -0.506) 7.487 1.925 ( -1.762 2.157 -2.101) 3.489 2.259 ( 2.289 0.006 -0.750) 2.408 2.842 ( -1.344 0.106 -0.919) 1.631 2.974 ( -3.305 2.695 -3.553) 5.551 3.055 ( -8.392 0.229 -1.410) 8.512 3.100 ( -0.324 -0.071 5.230) 5.240 3.131 ( 1.444 -0.440 5.931) 6.120 3.256 ( -3.132 -0.829 0.598) 3.295 3.367 ( -6.481 -0.663 1.826) 6.766 3.451 ( -7.328 -4.369 1.012) 8.591 3.524 ( 2.594 1.101 6.166) 6.780 3.766 ( 2.781 0.445 2.159) 3.549 3.929 ( -11.148 -3.071 0.430) 11.571 4.126 ( 2.986 1.361 -3.968) 5.149 4.168 ( -0.205 0.967 -3.532) 3.668 4.275 ( -4.482 2.580 -3.488) 6.238 4.930 ( -0.285 0.997 -2.414) 2.627 5.011 ( 3.538 -0.210 -3.182) 4.763 8.870 ( -13.579 2.691 -0.112) 13.844 9.212 ( -6.879 -6.369 -7.452) 11.976 9.971 ( 7.502 1.877 -1.803) 7.941 10.123 ( 3.341 -0.322 2.266) 4.050 10.147 ( 7.173 2.125 6.553) 9.945 10.290 ( 12.607 0.506 -0.572) 12.630 ======================= Grid point 173 (59/172) ======================= q-point: (-0.25 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -11.722 0.070 6.243) 13.281 0.732 ( -11.143 -0.260 5.635) 12.489 0.862 ( -1.771 -1.189 4.961) 5.400 1.037 ( -1.351 1.281 7.398) 7.629 1.220 ( -2.611 -8.997 2.423) 9.676 1.293 ( -15.688 7.489 5.183) 18.140 1.366 ( -3.318 -4.215 3.737) 6.538 1.468 ( -2.353 -0.577 1.364) 2.780 1.492 ( -4.746 1.348 -0.384) 4.949 1.533 ( -7.391 1.006 -1.775) 7.668 1.598 ( -2.908 3.360 2.696) 5.197 1.750 ( -1.330 -0.691 -0.732) 1.668 1.908 ( 1.022 0.329 -0.734) 1.301 2.313 ( 3.008 0.140 -1.469) 3.350 2.816 ( -7.820 -0.444 -1.721) 8.020 2.827 ( -7.950 -0.103 -1.974) 8.192 2.930 ( -0.675 4.935 -3.531) 6.105 3.000 ( -6.170 0.034 -3.666) 7.177 3.147 ( -2.473 -0.717 3.716) 4.521 3.206 ( -5.869 -0.918 2.159) 6.321 3.266 ( -1.821 -2.226 4.978) 5.749 3.323 ( -3.420 -3.235 6.096) 7.702 3.581 ( 2.300 0.663 5.331) 5.843 3.657 ( -11.443 0.301 0.492) 11.457 3.843 ( 1.932 -1.022 3.511) 4.136 4.058 ( -5.608 2.708 -6.445) 8.963 4.257 ( 4.354 -1.657 -4.513) 6.486 4.287 ( 6.033 0.496 -3.543) 7.014 4.948 ( 1.999 1.357 -2.221) 3.282 5.108 ( 5.494 -0.095 -3.379) 6.451 8.564 ( -15.503 2.166 -0.014) 15.654 9.035 ( -14.772 -10.079 -14.612) 23.094 10.075 ( 3.651 -2.436 1.805) 4.746 10.172 ( 2.543 -1.785 5.848) 6.622 10.366 ( 15.252 9.517 6.504) 19.118 10.549 ( 12.595 -0.152 -3.021) 12.953 ======================= Grid point 174 (60/172) ======================= q-point: (-0.17 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( -13.299 0.435 8.384) 15.727 0.506 ( -9.904 6.115 11.563) 16.407 0.813 ( -11.691 4.051 9.490) 15.593 0.888 ( -7.843 7.445 9.171) 14.179 1.097 ( 6.562 -4.185 9.268) 12.103 1.214 ( -2.733 -6.102 1.024) 6.764 1.342 ( -0.582 -6.803 2.993) 7.455 1.393 ( -5.652 0.008 -2.504) 6.182 1.397 ( -3.519 0.277 -0.840) 3.628 1.477 ( 0.190 -1.422 0.936) 1.712 1.556 ( 0.971 4.242 5.155) 6.746 1.744 ( 0.092 -1.886 0.784) 2.045 1.979 ( 5.081 -4.480 0.522) 6.794 2.370 ( 2.503 0.366 -2.494) 3.552 2.546 ( -12.878 -0.413 -1.077) 12.930 2.690 ( -10.659 -4.319 -5.578) 12.782 2.916 ( 0.883 5.677 -2.403) 6.228 2.954 ( 1.139 3.587 -3.758) 5.318 3.045 ( -5.724 0.181 -1.361) 5.886 3.074 ( -5.040 1.275 0.921) 5.280 3.281 ( 1.072 -1.824 5.638) 6.022 3.336 ( 2.100 -0.376 7.855) 8.140 3.443 ( -7.678 -0.626 -0.699) 7.735 3.638 ( 1.829 1.144 6.440) 6.792 3.851 ( -3.216 -4.925 -1.454) 6.059 3.974 ( -0.787 1.004 -1.119) 1.697 4.345 ( 3.643 -0.259 -4.277) 5.625 4.408 ( 5.758 2.396 -6.149) 8.758 4.983 ( 1.888 1.728 -1.760) 3.106 5.209 ( 4.105 -0.185 -3.474) 5.381 8.278 ( -11.285 0.678 0.035) 11.305 8.643 ( -29.665 -10.612 -20.557) 37.619 10.139 ( 1.557 -3.251 3.488) 5.016 10.252 ( 3.523 -7.561 8.494) 11.905 10.679 ( 20.777 14.817 5.290) 26.062 10.763 ( 8.206 -0.267 -4.220) 9.231 ======================= Grid point 175 (61/172) ======================= q-point: (-0.08 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.246 ( 0.000 10.598 10.182) 14.697 0.331 ( 0.000 8.288 14.116) 16.369 0.565 ( 0.000 7.324 26.136) 27.143 0.861 ( 0.000 0.065 5.395) 5.396 1.195 ( -0.000 -3.218 1.128) 3.410 1.235 ( -0.000 -7.024 1.651) 7.215 1.330 ( -0.000 -0.087 -3.476) 3.477 1.356 ( 0.000 0.199 -0.813) 0.837 1.401 ( -0.000 -8.469 -1.358) 8.577 1.475 ( 0.000 1.147 0.308) 1.188 1.638 ( -0.000 -9.441 7.894) 12.306 1.757 ( -0.000 -1.761 2.361) 2.945 2.083 ( -0.000 -6.125 0.335) 6.134 2.384 ( 0.000 1.021 -0.628) 1.199 2.396 ( 0.000 0.401 -3.128) 3.154 2.525 ( -0.000 -0.414 -2.818) 2.848 2.909 ( -0.000 -0.101 3.091) 3.093 2.937 ( 0.000 13.301 -6.397) 14.760 2.987 ( 0.000 2.622 -6.231) 6.760 3.019 ( 0.000 0.068 1.345) 1.347 3.299 ( -0.000 -1.244 5.139) 5.287 3.363 ( -0.000 -0.709 -0.704) 0.999 3.376 ( 0.000 0.652 -0.703) 0.959 3.644 ( 0.000 1.964 6.394) 6.688 3.825 ( -0.000 -13.284 1.964) 13.428 3.975 ( 0.000 4.087 2.517) 4.800 4.384 ( 0.000 0.268 -4.226) 4.235 4.463 ( 0.000 6.770 -9.192) 11.416 5.002 ( 0.000 1.370 -1.263) 1.864 5.254 ( 0.000 0.021 -3.595) 3.595 8.152 ( 0.000 0.038 0.113) 0.119 8.157 ( -0.000 -0.001 0.045) 0.045 10.163 ( -0.000 -2.004 4.146) 4.605 10.332 ( -0.000 -11.374 6.699) 13.200 10.842 ( 0.000 1.653 -6.781) 6.979 10.963 ( 0.000 7.968 -5.680) 9.785 ======================= Grid point 178 (62/172) ======================= q-point: ( 0.17 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -1.624 0.000 3.069) 3.472 0.823 ( -0.945 0.000 4.504) 4.602 1.210 ( 2.772 -0.000 2.105) 3.480 1.238 ( 6.070 -0.000 6.749) 9.077 1.350 ( -1.282 0.000 0.541) 1.391 1.439 ( 6.189 -0.000 2.305) 6.605 1.555 ( 3.590 -0.000 1.216) 3.790 1.618 ( 6.450 -0.000 3.212) 7.206 1.719 ( 3.889 -0.000 -1.085) 4.038 1.779 ( 4.139 -0.000 1.816) 4.520 1.781 ( 0.974 -0.000 -1.606) 1.878 1.956 ( 2.414 -0.000 -2.744) 3.654 2.004 ( 12.226 -0.000 -0.324) 12.230 2.223 ( -1.193 0.000 -0.570) 1.323 2.904 ( 4.241 -0.000 0.051) 4.241 3.039 ( 5.050 -0.000 -3.081) 5.916 3.063 ( -4.008 0.000 8.548) 9.441 3.081 ( -2.037 0.000 8.536) 8.775 3.164 ( 2.655 -0.000 -0.462) 2.694 3.302 ( -0.750 0.000 0.317) 0.814 3.460 ( 0.696 -0.000 1.203) 1.389 3.486 ( 4.998 -0.000 2.139) 5.437 3.586 ( 0.342 -0.000 4.159) 4.173 3.698 ( -2.740 0.000 0.698) 2.828 4.051 ( -2.479 0.000 -2.629) 3.613 4.166 ( 3.583 -0.000 -4.436) 5.702 4.201 ( 6.962 -0.000 0.082) 6.963 4.313 ( 2.374 -0.000 -2.083) 3.159 4.979 ( 5.553 -0.000 -1.828) 5.846 5.002 ( 2.751 -0.000 -2.351) 3.619 9.095 ( 11.369 -0.000 -0.012) 11.369 9.332 ( 1.577 -0.000 -4.794) 5.047 9.753 ( -9.402 0.000 0.103) 9.402 9.984 ( -10.527 0.000 -2.302) 10.776 10.076 ( -4.505 0.000 5.183) 6.867 10.120 ( -0.733 0.000 3.069) 3.155 ======================= Grid point 179 (63/172) ======================= q-point: ( 0.25 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -1.113 -0.092 3.041) 3.239 0.798 ( -1.272 0.030 3.517) 3.740 1.259 ( 3.092 0.476 1.619) 3.523 1.304 ( -0.570 -0.431 1.813) 1.948 1.344 ( 1.983 -0.015 6.537) 6.831 1.554 ( 4.166 -0.922 1.106) 4.408 1.629 ( 4.175 -0.546 2.021) 4.671 1.757 ( 6.239 0.553 0.959) 6.336 1.778 ( 1.744 0.471 -0.738) 1.952 1.793 ( 0.321 -1.265 -0.712) 1.487 1.826 ( 0.424 0.050 1.604) 1.660 1.983 ( 0.431 0.717 -1.889) 2.066 2.175 ( 4.660 0.308 -3.101) 5.605 2.214 ( 0.271 -0.111 -1.356) 1.387 2.981 ( -1.738 0.164 9.115) 9.281 3.009 ( 3.895 0.141 1.095) 4.048 3.044 ( -1.351 -0.180 9.252) 9.351 3.134 ( 4.215 -0.384 -3.188) 5.299 3.171 ( -1.603 -0.095 -0.181) 1.616 3.265 ( -2.069 -0.053 0.672) 2.176 3.450 ( -1.491 -0.189 0.250) 1.524 3.567 ( 3.164 -0.100 2.073) 3.784 3.611 ( 1.961 0.212 4.096) 4.546 3.652 ( -1.843 -0.109 0.345) 1.878 4.034 ( 0.586 -0.095 -1.383) 1.505 4.240 ( 3.384 3.256 -3.107) 5.631 4.264 ( 0.632 -1.914 -2.414) 3.144 4.318 ( -1.774 -1.490 -2.358) 3.306 5.095 ( 5.093 0.154 -1.359) 5.273 5.110 ( 6.186 -0.172 -1.341) 6.332 9.307 ( 9.976 -0.113 -0.802) 10.009 9.370 ( 2.846 0.239 -2.402) 3.732 9.586 ( -7.145 -0.303 -0.156) 7.153 9.748 ( -11.885 -0.190 -1.897) 12.037 10.036 ( -0.808 -0.019 3.890) 3.973 10.111 ( -0.240 -0.041 2.287) 2.300 ======================= Grid point 180 (64/172) ======================= q-point: ( 0.33 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.462 -0.004 3.349) 3.381 0.781 ( -0.262 0.004 2.711) 2.724 1.272 ( -1.623 -0.058 0.719) 1.776 1.333 ( 2.735 0.131 -0.209) 2.746 1.370 ( 0.048 -0.007 7.838) 7.839 1.612 ( 2.138 0.546 0.905) 2.385 1.722 ( 4.306 -1.572 1.597) 4.854 1.772 ( -2.210 0.519 -0.364) 2.299 1.790 ( -1.266 0.285 0.838) 1.545 1.804 ( -1.265 -0.350 0.226) 1.332 1.846 ( 1.588 -0.161 0.381) 1.641 1.969 ( -1.477 0.982 -1.120) 2.098 2.200 ( -1.341 -0.074 -4.237) 4.445 2.223 ( 0.127 -0.241 -1.802) 1.823 2.946 ( -0.422 -0.003 10.996) 11.004 3.034 ( 0.291 0.007 9.458) 9.462 3.086 ( -0.517 -0.029 0.056) 0.520 3.129 ( 0.515 0.037 -0.985) 1.112 3.208 ( 2.972 -0.390 -2.397) 3.837 3.229 ( -1.657 0.383 -2.068) 2.677 3.437 ( 0.643 0.062 1.831) 1.941 3.613 ( 0.435 -0.157 2.930) 2.966 3.623 ( -0.205 0.005 -0.860) 0.884 3.632 ( -0.237 0.093 3.053) 3.063 4.051 ( 0.202 -0.198 -0.345) 0.446 4.233 ( -1.141 1.666 -2.982) 3.602 4.261 ( -2.272 -1.861 -3.024) 4.215 4.340 ( 3.838 0.398 -3.187) 5.005 5.149 ( -0.365 -0.129 -1.007) 1.079 5.182 ( 0.380 0.113 -1.318) 1.376 9.419 ( -2.270 0.150 -1.651) 2.811 9.460 ( 5.136 -0.326 -2.144) 5.575 9.521 ( -8.796 0.301 -0.864) 8.843 9.557 ( 6.918 -0.124 -0.973) 6.987 10.030 ( 0.064 -0.006 3.248) 3.248 10.110 ( 0.084 0.005 2.002) 2.004 ======================= Grid point 181 (65/172) ======================= q-point: (-0.58 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 1.009 0.439 2.732) 2.945 0.793 ( 1.441 -0.278 3.537) 3.830 1.233 ( -2.465 -0.579 0.725) 2.634 1.326 ( -3.734 0.470 0.106) 3.765 1.344 ( -2.547 -0.028 7.402) 7.828 1.659 ( 3.373 4.618 0.943) 5.796 1.692 ( -4.977 2.559 0.173) 5.599 1.726 ( -5.385 -0.627 -0.069) 5.422 1.774 ( -1.333 -0.604 0.312) 1.496 1.798 ( 1.390 -2.261 0.018) 2.654 1.837 ( -2.000 0.340 0.677) 2.138 1.926 ( -2.434 -1.110 -0.929) 2.832 2.147 ( -3.810 -0.937 -2.911) 4.885 2.221 ( -0.158 0.130 -1.554) 1.568 2.968 ( 2.045 -0.369 10.234) 10.442 3.001 ( -5.162 -0.205 -0.200) 5.170 3.055 ( 1.825 0.240 8.833) 9.023 3.169 ( -1.301 1.101 -2.816) 3.292 3.180 ( -0.783 0.191 -2.128) 2.276 3.267 ( 2.742 0.005 -1.726) 3.240 3.472 ( 2.459 0.863 1.346) 2.933 3.574 ( -2.951 0.019 1.648) 3.379 3.598 ( -3.048 -0.187 3.121) 4.366 3.655 ( 2.019 -0.092 0.774) 2.165 4.031 ( -1.784 -0.473 -1.009) 2.104 4.171 ( -3.943 -0.571 -3.239) 5.135 4.274 ( 1.502 -0.125 -2.716) 3.106 4.403 ( 2.364 1.861 -2.800) 4.109 5.083 ( -5.585 -0.354 -1.364) 5.760 5.123 ( -5.604 0.370 -1.784) 5.893 9.321 ( -8.916 0.621 -1.006) 8.994 9.347 ( -4.256 -0.897 -1.933) 4.760 9.613 ( 9.094 0.803 -1.729) 9.292 9.764 ( 11.435 0.474 -2.538) 11.723 10.038 ( 0.761 0.035 3.488) 3.571 10.115 ( 0.528 0.128 2.326) 2.389 ======================= Grid point 182 (66/172) ======================= q-point: (-0.50 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.950 0.019 2.570) 2.740 0.825 ( 1.287 0.057 4.448) 4.631 1.175 ( -3.731 -1.884 1.893) 4.589 1.200 ( -8.593 -1.858 1.519) 8.922 1.273 ( -4.539 -0.134 7.555) 8.815 1.565 ( -5.950 2.863 0.736) 6.644 1.588 ( -7.915 -0.418 1.105) 8.002 1.683 ( -0.364 5.766 -0.139) 5.779 1.737 ( -2.392 -0.180 -1.355) 2.755 1.769 ( -3.308 0.623 1.289) 3.605 1.788 ( -4.022 -0.709 0.273) 4.093 1.906 ( -0.453 -2.477 -2.265) 3.387 2.051 ( -5.857 1.988 -0.812) 6.238 2.226 ( 0.942 0.138 -1.088) 1.445 2.895 ( -4.312 -0.332 -0.488) 4.352 3.035 ( 3.415 -0.747 8.790) 9.460 3.079 ( -4.042 1.563 -3.126) 5.344 3.101 ( 1.857 0.504 7.517) 7.760 3.168 ( -2.533 0.211 -1.594) 3.000 3.301 ( -0.403 -0.392 -3.072) 3.123 3.480 ( -3.746 0.742 1.368) 4.056 3.515 ( -1.426 0.236 2.020) 2.484 3.528 ( -3.224 -0.616 4.155) 5.295 3.705 ( 2.852 -0.331 1.657) 3.315 4.004 ( -1.769 -2.703 -1.756) 3.676 4.107 ( -1.595 0.692 -3.201) 3.643 4.257 ( -3.960 0.510 -1.972) 4.453 4.399 ( -2.298 3.041 -2.840) 4.754 4.982 ( -3.417 0.167 -2.333) 4.141 5.003 ( -4.496 0.036 -2.562) 5.175 9.131 ( -9.932 1.931 -0.581) 10.135 9.271 ( -4.633 -2.883 -3.150) 6.301 9.808 ( 10.716 2.223 -2.449) 11.215 9.989 ( 10.339 0.056 -3.792) 11.012 10.067 ( 2.515 -0.189 4.733) 5.364 10.138 ( 2.692 0.634 3.642) 4.573 ======================= Grid point 183 (67/172) ======================= q-point: (-0.42 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -1.493 -0.296 4.125) 4.397 0.834 ( -0.613 0.090 4.003) 4.050 0.998 ( -11.727 -1.875 3.281) 12.321 1.120 ( -3.202 -4.115 4.343) 6.786 1.168 ( -5.519 -2.665 7.084) 9.366 1.432 ( -7.285 -2.249 2.777) 8.114 1.465 ( -2.887 2.532 0.669) 3.898 1.609 ( -5.224 2.411 -0.394) 5.766 1.652 ( -6.950 0.442 -0.109) 6.965 1.693 ( -4.682 0.727 0.340) 4.750 1.695 ( -4.551 0.798 0.802) 4.689 1.846 ( -6.561 4.521 -0.692) 7.998 1.940 ( -2.420 1.829 -1.442) 3.359 2.259 ( 2.284 0.005 -0.829) 2.430 2.844 ( -0.752 0.502 -1.154) 1.466 2.994 ( -2.836 2.645 -3.824) 5.446 3.058 ( -8.217 0.602 -1.766) 8.426 3.099 ( 0.758 -0.188 6.037) 6.088 3.128 ( -0.006 -0.315 5.144) 5.154 3.247 ( -3.065 -1.552 -0.076) 3.436 3.360 ( -7.652 -1.409 1.500) 7.924 3.415 ( -8.005 -4.632 1.857) 9.433 3.540 ( 2.919 2.892 5.805) 7.112 3.767 ( 2.997 -0.338 2.828) 4.135 3.908 ( -10.286 -2.427 -0.071) 10.569 4.136 ( 3.712 1.375 -3.664) 5.394 4.173 ( -0.883 0.243 -3.407) 3.528 4.294 ( -5.935 2.622 -3.923) 7.582 4.937 ( -0.147 1.084 -2.504) 2.732 5.009 ( 3.642 -0.301 -3.274) 4.906 8.892 ( -13.236 3.452 -0.455) 13.686 9.163 ( -8.484 -6.816 -5.841) 12.352 9.984 ( 6.201 1.734 -2.157) 6.790 10.117 ( 2.463 -1.053 1.014) 2.864 10.167 ( 10.159 2.790 5.792) 12.022 10.293 ( 12.146 0.419 -0.050) 12.153 ======================= Grid point 184 (68/172) ======================= q-point: (-0.33 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -12.229 0.996 5.312) 13.370 0.737 ( -8.041 1.302 7.845) 11.309 0.856 ( -1.625 -0.332 4.736) 5.018 1.045 ( -2.376 1.143 7.289) 7.752 1.142 ( -1.485 -11.736 2.775) 12.151 1.330 ( -4.442 -5.396 4.479) 8.301 1.357 ( -13.416 8.823 4.262) 16.613 1.464 ( -2.573 -0.457 1.070) 2.824 1.505 ( -6.198 1.999 -0.866) 6.570 1.542 ( -7.907 1.704 -1.554) 8.236 1.621 ( -2.252 2.977 2.801) 4.667 1.745 ( -2.479 -0.605 -0.466) 2.593 1.905 ( -0.990 -1.401 -0.711) 1.857 2.314 ( 3.109 0.157 -1.188) 3.332 2.820 ( -9.668 1.692 -2.099) 10.037 2.826 ( -7.423 -0.025 -1.967) 7.679 2.964 ( 0.596 4.386 -3.721) 5.783 3.000 ( -5.664 -0.128 -3.837) 6.843 3.141 ( -2.575 -0.932 3.940) 4.798 3.193 ( -7.102 -2.899 2.069) 7.945 3.250 ( -0.580 -1.934 5.977) 6.309 3.299 ( -2.367 -3.168 5.445) 6.730 3.590 ( 1.464 1.839 4.379) 4.971 3.658 ( -10.974 -0.016 1.132) 11.032 3.834 ( 2.116 -1.281 3.917) 4.633 4.077 ( -7.117 2.461 -6.043) 9.655 4.245 ( 4.613 -1.661 -4.803) 6.864 4.290 ( 6.142 0.398 -3.214) 6.943 4.959 ( 2.265 1.626 -2.136) 3.512 5.107 ( 5.420 -0.222 -3.508) 6.460 8.584 ( -15.811 3.198 -0.313) 16.134 8.956 ( -16.326 -11.206 -10.635) 22.477 10.062 ( 2.701 -1.268 1.832) 3.502 10.161 ( 2.008 -1.460 4.699) 5.315 10.431 ( 17.059 7.990 4.050) 19.268 10.547 ( 12.547 -0.226 -2.541) 12.803 ======================= Grid point 185 (69/172) ======================= q-point: (-0.25 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( -9.038 6.799 8.779) 14.317 0.554 ( -7.854 7.053 12.907) 16.673 0.825 ( -3.898 0.080 4.722) 6.124 0.974 ( -14.475 14.650 10.971) 23.335 1.065 ( 3.700 -4.364 8.711) 10.422 1.158 ( -1.705 -9.130 1.501) 9.409 1.287 ( -2.109 -7.978 4.399) 9.351 1.393 ( -5.615 0.075 -2.084) 5.989 1.400 ( -4.063 0.452 -1.481) 4.348 1.468 ( 0.628 -0.982 0.836) 1.434 1.587 ( 0.243 3.956 4.453) 5.961 1.725 ( -0.384 -3.236 0.874) 3.374 1.935 ( 2.533 -7.570 0.658) 8.010 2.373 ( 2.619 0.496 -1.876) 3.260 2.546 ( -12.360 0.375 -1.171) 12.421 2.662 ( -10.918 -3.246 -4.161) 12.126 2.942 ( -1.744 2.066 0.289) 2.719 2.992 ( 3.324 5.784 -5.193) 8.454 3.048 ( -3.046 0.535 -1.578) 3.472 3.085 ( -4.170 1.912 -0.386) 4.604 3.266 ( 1.078 -2.093 6.045) 6.487 3.329 ( 2.679 -1.345 7.199) 7.798 3.438 ( -7.761 -0.573 -0.635) 7.808 3.646 ( 1.800 0.900 5.794) 6.133 3.821 ( -5.942 -3.020 -2.142) 7.001 3.971 ( -1.192 -1.890 1.354) 2.613 4.347 ( 4.445 0.720 -4.677) 6.492 4.422 ( 6.981 1.402 -6.248) 9.473 4.999 ( 2.148 2.391 -1.663) 3.619 5.207 ( 4.011 -0.525 -3.658) 5.454 8.285 ( -11.832 1.153 -0.075) 11.889 8.560 ( -27.681 -11.370 -12.982) 32.620 10.113 ( 1.503 -3.432 3.841) 5.365 10.212 ( 2.072 -3.821 7.810) 8.938 10.757 ( 11.009 0.895 -0.444) 11.054 10.778 ( 17.249 9.673 -2.776) 19.969 ======================= Grid point 186 (70/172) ======================= q-point: (-0.17 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( 0.000 13.459 8.771) 16.065 0.411 ( 0.000 13.036 11.031) 17.077 0.639 ( 0.000 12.154 22.286) 25.385 0.865 ( 0.000 1.529 6.062) 6.252 1.160 ( -0.000 -6.215 1.349) 6.359 1.168 ( -0.000 -10.578 5.558) 11.949 1.319 ( -0.000 -12.382 4.523) 13.182 1.329 ( 0.000 0.017 -3.193) 3.193 1.358 ( 0.000 0.168 -1.116) 1.129 1.477 ( -0.000 -0.356 0.242) 0.431 1.601 ( -0.000 -0.875 7.491) 7.542 1.739 ( -0.000 -3.269 1.882) 3.772 2.019 ( -0.000 -11.127 0.818) 11.157 2.394 ( 0.000 1.881 -0.716) 2.012 2.400 ( 0.000 0.648 -2.466) 2.549 2.520 ( -0.000 -0.845 -2.667) 2.797 2.908 ( -0.000 -0.172 2.996) 3.001 3.012 ( 0.000 4.739 -6.124) 7.743 3.020 ( 0.000 0.114 1.351) 1.356 3.034 ( 0.000 11.324 -8.666) 14.260 3.287 ( -0.000 -1.992 5.485) 5.836 3.358 ( -0.000 -0.706 -0.668) 0.972 3.381 ( 0.000 0.608 -0.728) 0.949 3.661 ( 0.000 2.035 6.166) 6.493 3.735 ( -0.000 -10.669 1.679) 10.800 3.983 ( -0.000 -1.431 5.023) 5.223 4.390 ( 0.000 1.239 -4.310) 4.485 4.509 ( 0.000 4.895 -11.889) 12.857 5.016 ( 0.000 2.408 -1.250) 2.713 5.253 ( -0.000 -0.483 -3.990) 4.020 8.152 ( 0.000 0.069 0.096) 0.118 8.157 ( -0.000 -0.005 0.033) 0.033 10.142 ( -0.000 -3.686 4.246) 5.623 10.259 ( -0.000 -7.687 9.253) 12.029 10.848 ( 0.000 0.149 -4.906) 4.908 11.019 ( 0.000 6.527 -8.768) 10.931 ======================= Grid point 191 (71/172) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.533 -0.000 3.349) 3.391 0.781 ( -0.302 0.000 2.712) 2.728 1.271 ( -1.851 0.000 0.729) 1.989 1.333 ( 3.135 -0.000 -0.232) 3.144 1.370 ( 0.055 -0.000 7.840) 7.840 1.614 ( 2.570 -0.000 0.797) 2.691 1.715 ( 4.167 -0.000 1.841) 4.556 1.774 ( -1.697 0.000 -0.503) 1.770 1.791 ( -1.546 0.000 1.040) 1.864 1.803 ( -1.606 0.000 0.064) 1.608 1.845 ( 1.861 -0.000 0.347) 1.893 1.973 ( -1.640 0.000 -1.127) 1.990 2.199 ( -1.641 0.000 -4.257) 4.562 2.222 ( 0.225 -0.000 -1.767) 1.782 2.946 ( -0.487 0.000 10.994) 11.005 3.034 ( 0.335 -0.000 9.465) 9.471 3.086 ( -0.594 0.000 0.065) 0.597 3.129 ( 0.591 -0.000 -0.996) 1.158 3.206 ( 3.114 -0.000 -2.443) 3.958 3.230 ( -1.595 0.000 -2.030) 2.582 3.437 ( 0.745 -0.000 1.852) 1.996 3.612 ( 0.465 -0.000 2.895) 2.932 3.623 ( -0.208 0.000 -0.882) 0.906 3.632 ( -0.266 0.000 3.089) 3.101 4.051 ( 0.227 -0.000 -0.337) 0.407 4.245 ( 0.103 -0.000 -3.083) 3.085 4.249 ( -3.830 0.000 -2.928) 4.821 4.342 ( 4.224 -0.000 -3.187) 5.292 5.149 ( -0.410 0.000 -1.002) 1.082 5.183 ( 0.427 -0.000 -1.322) 1.389 9.420 ( -2.756 0.000 -1.687) 3.231 9.458 ( 5.923 -0.000 -2.058) 6.271 9.522 ( -10.355 0.000 -0.933) 10.397 9.556 ( 8.328 -0.000 -0.954) 8.383 10.030 ( 0.074 -0.000 3.246) 3.247 10.110 ( 0.097 -0.000 2.004) 2.006 ======================= Grid point 192 (72/172) ======================= q-point: (-0.67 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 0.825 0.268 2.419) 2.570 0.792 ( 1.636 -0.209 3.804) 4.146 1.230 ( -2.530 -0.201 0.616) 2.611 1.329 ( -4.157 0.169 -0.415) 4.181 1.344 ( -2.553 -0.018 7.829) 8.235 1.686 ( 4.541 2.449 0.506) 5.184 1.706 ( -4.857 1.111 0.003) 4.983 1.722 ( -4.728 -0.299 -0.172) 4.740 1.771 ( -1.381 0.054 0.426) 1.446 1.781 ( 0.906 -2.046 0.208) 2.248 1.838 ( -1.969 0.073 0.601) 2.060 1.921 ( -3.258 -0.252 -0.674) 3.337 2.142 ( -3.544 -0.361 -2.884) 4.583 2.221 ( -0.106 0.045 -1.610) 1.614 2.966 ( 2.041 -0.131 10.295) 10.496 3.000 ( -5.261 -0.072 -0.302) 5.270 3.057 ( 1.872 0.082 8.798) 8.995 3.175 ( 0.765 0.496 -1.919) 2.125 3.180 ( -2.777 -0.022 -3.297) 4.311 3.267 ( 2.796 -0.008 -2.069) 3.478 3.477 ( 2.668 0.344 1.564) 3.112 3.574 ( -2.973 -0.037 1.522) 3.340 3.597 ( -3.129 -0.024 3.102) 4.406 3.655 ( 1.977 -0.056 0.707) 2.101 4.029 ( -2.049 -0.212 -0.925) 2.258 4.168 ( -3.915 -0.123 -3.376) 5.171 4.273 ( 1.740 -0.054 -2.689) 3.203 4.412 ( 2.516 0.644 -2.845) 3.853 5.081 ( -5.583 -0.130 -1.377) 5.751 5.125 ( -5.589 0.134 -1.840) 5.885 9.324 ( -8.975 0.347 -0.925) 9.030 9.341 ( -4.225 -0.445 -1.993) 4.693 9.617 ( 9.364 0.293 -1.958) 9.571 9.767 ( 11.371 0.171 -2.631) 11.672 10.038 ( 0.755 0.012 3.424) 3.506 10.116 ( 0.572 0.048 2.334) 2.404 ======================= Grid point 193 (73/172) ======================= q-point: (-0.58 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.790 0.010 2.447) 2.571 0.825 ( 1.370 0.037 4.439) 4.646 1.163 ( -4.530 -1.228 1.306) 4.872 1.190 ( -9.035 -0.832 1.700) 9.231 1.273 ( -4.481 0.063 8.012) 9.180 1.580 ( -7.260 0.964 0.780) 7.366 1.586 ( -7.028 0.400 0.804) 7.085 1.721 ( -1.987 4.477 -0.604) 4.935 1.734 ( -2.233 -0.431 -1.800) 2.900 1.769 ( -3.058 -1.180 1.017) 3.432 1.787 ( -3.583 0.648 0.978) 3.770 1.889 ( 0.820 -1.987 -2.072) 2.986 2.063 ( -4.659 1.190 -0.901) 4.892 2.227 ( 0.885 0.079 -1.219) 1.509 2.893 ( -4.300 -0.181 -0.605) 4.347 3.031 ( 3.445 -0.397 8.878) 9.531 3.088 ( -3.486 0.872 -2.522) 4.390 3.104 ( 1.349 0.290 6.726) 6.866 3.169 ( -2.439 0.156 -2.040) 3.184 3.298 ( -0.810 -0.345 -3.805) 3.905 3.486 ( -4.284 0.910 1.540) 4.643 3.505 ( -4.181 -1.752 1.791) 4.874 3.535 ( -0.343 1.268 4.560) 4.746 3.702 ( 2.687 -0.382 1.520) 3.111 3.989 ( -2.298 -1.448 -1.629) 3.168 4.111 ( -0.990 0.504 -3.403) 3.580 4.260 ( -3.943 0.235 -1.932) 4.398 4.417 ( -2.178 1.619 -2.970) 4.023 4.983 ( -2.755 0.105 -2.467) 3.699 5.003 ( -5.059 0.012 -2.607) 5.691 9.144 ( -9.326 1.436 -0.758) 9.466 9.252 ( -5.581 -1.955 -2.799) 6.543 9.822 ( 11.025 1.281 -2.970) 11.489 9.989 ( 10.091 -0.027 -4.144) 10.909 10.066 ( 2.427 -0.060 4.693) 5.283 10.142 ( 2.934 0.348 3.689) 4.727 ======================= Grid point 194 (74/172) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -1.273 -0.177 3.875) 4.082 0.834 ( -0.944 -0.060 3.965) 4.076 0.991 ( -10.587 0.072 4.005) 11.319 1.078 ( -4.305 -6.023 3.334) 8.120 1.165 ( -6.086 0.477 8.518) 10.480 1.417 ( -8.146 -1.687 2.460) 8.675 1.481 ( -3.123 1.747 0.795) 3.666 1.622 ( -6.896 1.211 0.288) 7.007 1.655 ( -5.868 0.432 -0.876) 5.949 1.690 ( -4.134 -0.565 -1.854) 4.566 1.706 ( -3.847 1.344 2.265) 4.662 1.878 ( -4.739 4.042 -1.378) 6.379 1.949 ( -4.348 0.732 -0.559) 4.445 2.259 ( 2.280 0.003 -0.901) 2.451 2.849 ( 0.017 0.636 -1.361) 1.502 3.011 ( -2.436 1.873 -3.874) 4.945 3.064 ( -7.767 1.031 -2.259) 8.154 3.098 ( 1.761 -0.138 6.735) 6.963 3.126 ( -1.577 -0.231 4.228) 4.518 3.233 ( -3.409 -2.250 -0.818) 4.166 3.346 ( -9.755 -2.190 1.761) 10.152 3.391 ( -6.865 -1.822 2.454) 7.514 3.561 ( 2.836 2.522 5.721) 6.866 3.762 ( 3.045 -0.770 3.079) 4.398 3.894 ( -9.621 -1.458 -0.396) 9.739 4.146 ( 3.833 1.205 -3.470) 5.309 4.173 ( -1.132 -0.260 -3.358) 3.553 4.311 ( -6.908 1.866 -4.200) 8.297 4.945 ( -0.063 0.878 -2.578) 2.724 5.006 ( 3.762 -0.306 -3.357) 5.051 8.919 ( -12.733 3.578 -0.879) 13.255 9.116 ( -9.986 -5.876 -4.496) 12.428 9.995 ( 5.244 1.256 -2.135) 5.800 10.109 ( 2.417 -0.917 0.184) 2.592 10.185 ( 11.780 2.112 4.698) 12.857 10.296 ( 11.746 0.244 0.424) 11.756 ======================= Grid point 195 (75/172) ======================= q-point: (-0.42 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -10.225 3.468 4.844) 11.834 0.747 ( -5.850 1.395 8.303) 10.252 0.857 ( -2.004 0.698 5.261) 5.673 1.054 ( -3.965 -2.937 5.916) 7.704 1.054 ( -1.311 -7.943 4.909) 9.429 1.291 ( -5.553 -5.044 4.717) 8.862 1.412 ( -9.363 6.021 2.823) 11.484 1.461 ( -3.002 -0.251 1.123) 3.215 1.519 ( -7.026 1.688 -1.086) 7.307 1.560 ( -8.440 3.378 -1.271) 9.180 1.640 ( -1.808 2.271 2.975) 4.156 1.742 ( -4.605 0.113 0.099) 4.607 1.887 ( -3.157 -3.488 -0.794) 4.771 2.315 ( 3.210 0.132 -0.911) 3.339 2.826 ( -9.815 -0.026 -1.957) 10.008 2.840 ( -8.976 3.615 -2.624) 10.027 2.988 ( -0.253 1.030 -4.205) 4.337 3.001 ( -2.619 1.462 -3.919) 4.935 3.133 ( -3.716 -1.250 3.914) 5.540 3.165 ( -5.833 -4.369 3.539) 8.102 3.241 ( 0.750 -0.785 6.284) 6.377 3.280 ( -2.922 -2.004 4.517) 5.741 3.606 ( 0.538 2.358 3.864) 4.559 3.656 ( -10.456 -0.441 1.319) 10.548 3.825 ( 2.365 -1.224 4.406) 5.148 4.093 ( -8.940 1.668 -5.648) 10.706 4.234 ( 5.252 -1.303 -5.080) 7.422 4.292 ( 6.107 0.281 -2.928) 6.779 4.970 ( 2.536 1.483 -2.053) 3.584 5.105 ( 5.307 -0.311 -3.624) 6.433 8.610 ( -16.151 4.035 -0.760) 16.665 8.877 ( -17.414 -10.183 -7.338) 21.466 10.056 ( 2.070 -0.388 1.703) 2.708 10.151 ( 1.768 -1.205 3.737) 4.306 10.481 ( 17.854 5.679 2.196) 18.864 10.545 ( 12.629 -0.340 -1.953) 12.784 ======================= Grid point 196 (76/172) ======================= q-point: (-0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -4.811 11.671 7.407) 14.636 0.606 ( -5.662 7.110 14.091) 16.768 0.822 ( -2.564 -0.482 3.609) 4.453 1.035 ( 1.023 -3.791 6.245) 7.376 1.070 ( -4.580 -1.273 7.025) 8.482 1.103 ( -9.962 6.593 6.018) 13.376 1.230 ( -3.084 -7.372 5.281) 9.578 1.393 ( -5.347 -0.084 -1.725) 5.619 1.404 ( -4.856 0.798 -1.892) 5.273 1.463 ( 0.645 -0.483 1.447) 1.656 1.613 ( -0.119 3.076 4.250) 5.248 1.695 ( -1.481 -5.364 1.504) 5.764 1.873 ( -0.051 -8.851 0.204) 8.854 2.376 ( 2.749 0.485 -1.174) 3.028 2.552 ( -11.878 1.480 -1.362) 12.047 2.641 ( -11.084 -2.657 -3.353) 11.881 2.952 ( -3.379 1.065 1.801) 3.974 3.029 ( 2.849 3.989 -4.694) 6.787 3.054 ( -0.878 1.416 -1.444) 2.204 3.100 ( -1.587 1.904 -1.829) 3.081 3.252 ( 0.941 -1.868 6.278) 6.617 3.316 ( 3.293 -2.186 6.692) 7.772 3.435 ( -7.893 -0.328 -0.547) 7.919 3.649 ( 0.541 -0.113 4.073) 4.110 3.810 ( -6.728 -0.001 -0.870) 6.784 3.949 ( -2.208 -3.937 2.792) 5.307 4.356 ( 5.325 1.558 -5.022) 7.484 4.427 ( 7.343 -0.167 -5.768) 9.339 5.017 ( 2.453 2.495 -1.549) 3.826 5.202 ( 3.794 -0.853 -3.748) 5.401 8.295 ( -12.656 1.653 -0.259) 12.766 8.484 ( -24.778 -9.324 -7.520) 27.522 10.093 ( 1.198 -2.018 3.665) 4.352 10.191 ( 1.461 -2.275 6.416) 6.963 10.755 ( 8.707 -0.449 -1.719) 8.887 10.841 ( 18.097 6.731 -3.016) 19.543 ======================= Grid point 197 (77/172) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( 0.000 13.049 9.482) 16.131 0.514 ( 0.000 14.990 8.375) 17.170 0.722 ( 0.000 8.955 14.025) 16.639 0.897 ( 0.000 8.876 9.914) 13.306 1.095 ( -0.000 -8.854 7.824) 11.816 1.105 ( -0.000 -8.832 1.708) 8.996 1.235 ( -0.000 -10.497 5.840) 12.012 1.330 ( 0.000 0.150 -2.877) 2.881 1.358 ( 0.000 0.038 -1.453) 1.454 1.474 ( -0.000 -0.547 0.889) 1.044 1.608 ( 0.000 1.908 5.632) 5.947 1.707 ( -0.000 -5.779 2.240) 6.198 1.928 ( -0.000 -13.221 0.828) 13.247 2.405 ( 0.000 0.716 -1.584) 1.738 2.410 ( 0.000 2.470 -0.857) 2.615 2.512 ( -0.000 -1.299 -2.437) 2.761 2.907 ( -0.000 -0.193 2.868) 2.874 3.021 ( 0.000 0.127 1.356) 1.362 3.050 ( 0.000 5.698 -5.894) 8.198 3.101 ( 0.000 7.121 -7.045) 10.017 3.271 ( -0.000 -2.190 5.849) 6.245 3.353 ( -0.000 -0.600 -0.639) 0.877 3.385 ( 0.000 0.488 -0.743) 0.889 3.636 ( -0.000 -9.028 2.185) 9.289 3.706 ( 0.000 2.714 4.731) 5.454 3.962 ( -0.000 -4.110 6.471) 7.666 4.402 ( 0.000 2.030 -4.030) 4.513 4.530 ( 0.000 1.020 -11.503) 11.548 5.036 ( 0.000 2.883 -1.230) 3.134 5.247 ( -0.000 -1.128 -4.032) 4.187 8.153 ( 0.000 0.085 0.072) 0.111 8.157 ( -0.000 -0.011 0.016) 0.020 10.115 ( -0.000 -3.178 4.367) 5.402 10.219 ( -0.000 -3.836 8.095) 8.958 10.847 ( -0.000 -0.306 -3.393) 3.406 11.054 ( 0.000 3.178 -8.483) 9.059 ======================= Grid point 204 (78/172) ======================= q-point: (-0.67 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.732 -0.000 2.401) 2.511 0.825 ( 1.401 -0.000 4.436) 4.652 1.158 ( -4.906 0.000 1.090) 5.025 1.187 ( -9.102 0.000 1.810) 9.280 1.273 ( -4.447 0.000 8.128) 9.265 1.582 ( -8.255 0.000 0.882) 8.302 1.590 ( -6.196 0.000 0.613) 6.226 1.731 ( -2.335 0.000 -2.037) 3.098 1.744 ( -3.766 0.000 -1.032) 3.905 1.758 ( -2.293 0.000 1.086) 2.537 1.791 ( -2.922 0.000 1.390) 3.236 1.881 ( 1.455 -0.000 -1.991) 2.466 2.067 ( -4.233 0.000 -0.933) 4.334 2.227 ( 0.865 -0.000 -1.268) 1.535 2.892 ( -4.294 0.000 -0.647) 4.342 3.029 ( 3.451 -0.000 8.899) 9.545 3.091 ( -3.130 0.000 -2.025) 3.728 3.105 ( 1.018 -0.000 6.193) 6.276 3.170 ( -2.393 0.000 -2.234) 3.273 3.297 ( -0.984 0.000 -4.062) 4.179 3.492 ( -4.185 0.000 1.547) 4.462 3.495 ( -4.849 0.000 1.910) 5.211 3.540 ( 0.097 -0.000 4.597) 4.598 3.700 ( 2.606 -0.000 1.431) 2.973 3.984 ( -2.429 0.000 -1.592) 2.904 4.113 ( -0.821 0.000 -3.473) 3.569 4.261 ( -3.946 0.000 -1.915) 4.386 4.423 ( -2.134 0.000 -3.013) 3.692 4.984 ( -2.488 0.000 -2.517) 3.540 5.003 ( -5.287 0.000 -2.623) 5.902 9.149 ( -9.030 0.000 -0.831) 9.068 9.245 ( -5.999 0.000 -2.669) 6.566 9.826 ( 11.141 -0.000 -3.154) 11.579 9.989 ( 9.972 -0.000 -4.267) 10.846 10.066 ( 2.426 -0.000 4.674) 5.266 10.143 ( 3.013 -0.000 3.703) 4.774 ======================= Grid point 206 (79/172) ======================= q-point: (-0.58 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -1.142 -0.057 3.756) 3.926 0.833 ( -1.179 -0.049 3.884) 4.059 0.997 ( -8.930 1.215 4.942) 10.279 1.042 ( -6.439 -3.357 2.930) 7.830 1.168 ( -5.810 0.287 8.650) 10.424 1.409 ( -8.667 -0.619 2.238) 8.972 1.490 ( -3.285 0.621 0.956) 3.477 1.627 ( -7.960 0.357 0.875) 8.016 1.657 ( -5.106 0.194 -1.416) 5.302 1.687 ( -3.343 -0.272 -2.207) 4.015 1.713 ( -4.121 0.475 2.145) 4.670 1.901 ( -1.849 1.864 -2.355) 3.527 1.951 ( -7.176 -0.102 0.484) 7.193 2.259 ( 2.277 0.001 -0.944) 2.465 2.852 ( 0.578 0.295 -1.478) 1.614 3.020 ( -2.310 0.638 -3.776) 4.472 3.071 ( -6.866 0.640 -2.479) 7.328 3.097 ( 2.377 0.037 7.002) 7.394 3.125 ( -2.990 -0.150 3.361) 4.501 3.219 ( -4.106 -1.281 -1.061) 4.430 3.334 ( -10.563 -0.904 2.381) 10.866 3.384 ( -6.241 -0.370 2.422) 6.705 3.574 ( 2.807 1.009 5.779) 6.503 3.757 ( 2.992 -0.413 3.063) 4.302 3.887 ( -9.233 -0.473 -0.525) 9.260 4.153 ( 4.200 0.606 -3.329) 5.393 4.170 ( -1.638 -0.293 -3.394) 3.780 4.320 ( -7.369 0.667 -4.327) 8.572 4.949 ( -0.045 0.347 -2.616) 2.639 5.005 ( 3.860 -0.138 -3.409) 5.152 8.940 ( -12.183 1.875 -1.262) 12.391 9.083 ( -11.078 -2.685 -3.639) 11.966 10.002 ( 4.751 0.470 -1.994) 5.174 10.104 ( 2.449 -0.366 -0.338) 2.499 10.196 ( 12.585 0.781 4.009) 13.231 10.297 ( 11.500 0.073 0.727) 11.523 ======================= Grid point 207 (80/172) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -6.830 4.376 3.887) 8.995 0.755 ( -4.504 0.665 7.761) 8.998 0.868 ( -3.044 2.626 6.389) 7.548 0.969 ( -3.071 -10.835 5.861) 12.695 1.063 ( -3.705 1.037 5.994) 7.122 1.260 ( -6.585 -3.188 4.760) 8.728 1.443 ( -6.520 2.648 1.796) 7.263 1.460 ( -3.355 -0.332 1.284) 3.607 1.528 ( -7.219 0.724 -1.215) 7.356 1.588 ( -7.193 3.494 -1.526) 8.141 1.653 ( -1.551 1.258 3.250) 3.815 1.748 ( -8.241 1.437 1.413) 8.484 1.857 ( -4.460 -4.171 -1.313) 6.246 2.315 ( 3.283 0.075 -0.709) 3.359 2.826 ( -9.332 -0.017 -1.931) 9.530 2.869 ( -12.434 3.901 -3.314) 13.446 2.982 ( -0.289 -1.673 -4.559) 4.865 3.017 ( 1.014 1.750 -4.128) 4.597 3.120 ( -7.821 -2.219 3.601) 8.892 3.141 ( -0.892 -1.791 5.583) 5.931 3.237 ( 1.415 -0.222 6.294) 6.455 3.269 ( -4.079 -0.926 3.824) 5.668 3.623 ( 0.244 2.081 3.887) 4.416 3.652 ( -10.448 -0.871 0.996) 10.532 3.817 ( 2.582 -0.770 4.836) 5.536 4.101 ( -10.500 0.793 -5.354) 11.813 4.226 ( 5.986 -0.698 -5.301) 8.026 4.294 ( 6.000 0.143 -2.725) 6.591 4.979 ( 2.745 0.902 -1.988) 3.507 5.103 ( 5.194 -0.242 -3.705) 6.385 8.641 ( -16.391 3.893 -1.348) 16.901 8.812 ( -18.005 -7.162 -5.046) 20.023 10.055 ( 1.731 -0.012 1.680) 2.413 10.144 ( 1.653 -0.721 3.041) 3.536 10.513 ( 18.015 3.261 0.810) 18.326 10.542 ( 12.800 -0.580 -1.241) 12.873 ======================= Grid point 208 (81/172) ======================= q-point: (-0.42 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -2.573 12.929 5.610) 14.327 0.654 ( -3.071 5.882 14.364) 15.822 0.820 ( -2.425 -0.168 3.600) 4.344 0.983 ( -0.111 -11.401 3.124) 11.821 1.028 ( -0.270 -2.369 5.629) 6.113 1.164 ( -6.068 -3.330 6.695) 9.630 1.223 ( -8.864 11.993 7.530) 16.706 1.392 ( -5.092 -0.383 -1.596) 5.350 1.414 ( -6.157 2.086 -1.585) 6.691 1.461 ( 0.282 -0.160 2.190) 2.214 1.627 ( -1.851 -1.141 4.296) 4.815 1.647 ( -2.389 -5.876 3.333) 7.166 1.815 ( -1.295 -6.417 -1.420) 6.699 2.380 ( 2.854 0.345 -0.579) 2.933 2.566 ( -11.579 2.284 -1.634) 11.915 2.622 ( -11.220 -2.549 -2.799) 11.841 2.958 ( -4.648 0.502 2.681) 5.389 3.046 ( 0.767 0.992 -2.572) 2.861 3.072 ( 2.125 3.360 -2.876) 4.907 3.110 ( 0.969 0.837 -2.620) 2.916 3.240 ( 0.650 -1.268 6.376) 6.533 3.300 ( 3.587 -2.212 6.437) 7.694 3.433 ( -8.014 -0.135 -0.480) 8.030 3.645 ( -1.656 -0.721 2.042) 2.726 3.820 ( -5.673 2.659 1.350) 6.409 3.916 ( -3.349 -4.871 3.316) 6.778 4.369 ( 6.324 2.093 -5.530) 8.658 4.421 ( 6.857 -1.436 -4.820) 8.503 5.033 ( 2.740 1.957 -1.444) 3.664 5.195 ( 3.522 -0.869 -3.760) 5.225 8.309 ( -13.721 2.070 -0.544) 13.887 8.426 ( -21.869 -6.574 -4.311) 23.239 10.083 ( 0.964 -0.825 3.363) 3.594 10.177 ( 1.210 -1.423 5.391) 5.705 10.752 ( 8.531 -0.350 -1.232) 8.627 10.877 ( 16.921 3.488 -3.749) 17.679 ======================= Grid point 209 (82/172) ======================= q-point: (-0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 0.000 11.319 11.727) 16.299 0.625 ( 0.000 15.436 6.400) 16.710 0.757 ( 0.000 1.256 5.340) 5.485 0.999 ( 0.000 17.347 13.496) 21.978 1.033 ( -0.000 -11.008 2.209) 11.227 1.043 ( -0.000 -5.441 6.554) 8.518 1.169 ( -0.000 -6.990 6.706) 9.687 1.331 ( 0.000 0.201 -2.566) 2.574 1.358 ( -0.000 -0.056 -1.786) 1.787 1.469 ( -0.000 -0.997 2.001) 2.235 1.616 ( -0.000 -1.866 4.916) 5.258 1.653 ( -0.000 -7.369 4.572) 8.672 1.839 ( -0.000 -10.050 -0.872) 10.088 2.410 ( 0.000 0.596 -0.736) 0.947 2.429 ( 0.000 2.757 -1.048) 2.949 2.501 ( -0.000 -1.762 -2.154) 2.783 2.906 ( -0.000 -0.164 2.742) 2.747 3.021 ( 0.000 0.106 1.357) 1.361 3.093 ( 0.000 5.765 -5.654) 8.075 3.141 ( 0.000 4.075 -4.920) 6.389 3.256 ( -0.000 -1.958 6.197) 6.499 3.349 ( -0.000 -0.435 -0.614) 0.753 3.388 ( 0.000 0.338 -0.752) 0.824 3.569 ( -0.000 -8.612 0.554) 8.630 3.735 ( 0.000 4.388 5.872) 7.330 3.928 ( -0.000 -5.002 7.031) 8.629 4.419 ( 0.000 2.622 -3.507) 4.379 4.527 ( -0.000 -1.566 -10.369) 10.487 5.056 ( 0.000 2.681 -1.195) 2.935 5.237 ( -0.000 -1.417 -3.860) 4.112 8.153 ( 0.000 0.081 0.048) 0.094 8.157 ( -0.000 -0.016 0.001) 0.016 10.098 ( -0.000 -1.672 4.057) 4.388 10.197 ( -0.000 -2.227 6.721) 7.081 10.844 ( -0.000 -0.352 -2.183) 2.211 11.069 ( 0.000 1.196 -7.545) 7.639 ======================= Grid point 218 (83/172) ======================= q-point: (-0.58 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -5.154 0.000 1.940) 5.507 0.755 ( -3.470 0.000 8.405) 9.093 0.899 ( -6.259 0.000 5.335) 8.224 0.906 ( -1.538 0.000 8.703) 8.837 1.067 ( -3.793 0.000 5.686) 6.835 1.248 ( -7.042 0.000 4.776) 8.509 1.454 ( -8.624 0.000 1.479) 8.750 1.456 ( -0.627 0.000 1.358) 1.496 1.531 ( -7.255 0.000 -1.233) 7.359 1.602 ( -5.655 0.000 -1.983) 5.993 1.658 ( -1.455 0.000 3.389) 3.689 1.756 ( -11.125 0.000 2.807) 11.474 1.838 ( -4.219 0.000 -2.153) 4.737 2.316 ( 3.309 -0.000 -0.635) 3.369 2.825 ( -9.261 0.000 -1.921) 9.458 2.887 ( -15.546 0.000 -3.781) 15.999 2.973 ( 2.663 -0.000 -4.504) 5.232 3.023 ( 1.513 -0.000 -4.291) 4.550 3.111 ( -8.722 0.000 4.078) 9.628 3.135 ( 0.197 -0.000 5.831) 5.834 3.236 ( 1.697 -0.000 6.331) 6.555 3.266 ( -4.620 0.000 3.564) 5.835 3.632 ( 2.361 -0.000 4.871) 5.413 3.647 ( -12.666 0.000 -0.118) 12.667 3.814 ( 2.669 -0.000 5.014) 5.680 4.104 ( -11.122 0.000 -5.245) 12.297 4.224 ( 6.315 -0.000 -5.387) 8.300 4.294 ( 5.944 -0.000 -2.651) 6.508 4.983 ( 2.825 -0.000 -1.963) 3.440 5.102 ( 5.146 -0.000 -3.735) 6.358 8.658 ( -16.415 0.000 -1.749) 16.508 8.783 ( -18.247 0.000 -4.087) 18.699 10.055 ( 1.625 -0.000 1.699) 2.351 10.141 ( 1.617 -0.000 2.777) 3.213 10.527 ( 18.879 -0.000 -0.079) 18.879 10.538 ( 12.011 -0.000 -0.558) 12.024 ======================= Grid point 220 (84/172) ======================= q-point: (-0.50 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -4.200 4.595 12.964) 14.381 0.696 ( 0.995 5.927 3.663) 7.039 0.820 ( -1.607 0.346 4.680) 4.960 0.904 ( -0.506 -8.219 6.326) 10.384 1.020 ( -1.236 -0.351 2.189) 2.538 1.136 ( -4.658 -2.536 7.709) 9.357 1.303 ( -5.573 6.724 5.528) 10.335 1.388 ( -5.255 -0.390 -1.576) 5.500 1.439 ( -6.729 4.520 0.728) 8.139 1.460 ( -2.454 -0.143 1.788) 3.040 1.569 ( -6.811 -8.378 5.316) 12.035 1.645 ( -0.091 0.641 4.502) 4.548 1.784 ( -1.297 -2.077 -2.962) 3.843 2.381 ( 2.913 0.124 -0.242) 2.925 2.584 ( -11.427 2.621 -1.965) 11.887 2.604 ( -11.338 -2.628 -2.356) 11.875 2.960 ( -5.310 0.142 3.042) 6.122 3.050 ( 0.181 0.210 -1.621) 1.644 3.095 ( 3.678 2.646 -3.812) 5.921 3.110 ( 2.151 -0.922 -2.582) 3.485 3.234 ( 0.344 -0.429 6.365) 6.388 3.287 ( 3.558 -0.984 6.433) 7.417 3.433 ( -8.085 -0.034 -0.452) 8.097 3.641 ( -3.170 -0.370 0.909) 3.318 3.845 ( -3.506 4.130 3.466) 6.431 3.880 ( -5.202 -4.821 2.715) 7.594 4.384 ( 7.989 1.830 -7.018) 10.790 4.408 ( 5.339 -1.653 -3.001) 6.343 5.044 ( 2.929 0.761 -1.376) 3.325 5.190 ( 3.324 -0.383 -3.754) 5.029 8.323 ( -14.758 1.482 -0.906) 14.860 8.390 ( -19.800 -2.948 -2.704) 20.200 10.080 ( 0.854 -0.192 3.225) 3.342 10.170 ( 1.108 -0.509 4.833) 4.984 10.751 ( 8.474 -0.129 -0.897) 8.522 10.893 ( 16.213 1.064 -4.002) 16.733 ======================= Grid point 221 (85/172) ======================= q-point: (-0.42 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 0.000 7.623 15.441) 17.220 0.736 ( 0.000 14.901 4.957) 15.704 0.755 ( -0.000 -1.162 0.719) 1.367 0.946 ( -0.000 -12.617 2.853) 12.936 1.014 ( -0.000 -2.599 2.386) 3.528 1.085 ( 0.000 0.775 10.761) 10.789 1.182 ( 0.000 15.199 11.194) 18.877 1.333 ( 0.000 0.142 -2.312) 2.317 1.358 ( -0.000 -0.065 -2.056) 2.057 1.449 ( -0.000 -6.303 3.887) 7.405 1.546 ( -0.000 -11.138 6.637) 12.965 1.643 ( 0.000 0.822 5.133) 5.198 1.788 ( -0.000 -4.284 -3.219) 5.359 2.413 ( 0.000 0.334 -0.137) 0.361 2.450 ( 0.000 2.764 -1.285) 3.048 2.487 ( -0.000 -2.198 -1.849) 2.872 2.905 ( -0.000 -0.093 2.651) 2.652 3.022 ( 0.000 0.059 1.355) 1.357 3.130 ( 0.000 4.100 -5.439) 6.811 3.162 ( 0.000 1.901 -3.696) 4.156 3.244 ( -0.000 -1.275 6.565) 6.687 3.347 ( -0.000 -0.228 -0.598) 0.640 3.389 ( 0.000 0.172 -0.757) 0.776 3.516 ( -0.000 -5.442 0.039) 5.442 3.766 ( 0.000 3.806 6.401) 7.446 3.893 ( -0.000 -4.217 7.108) 8.265 4.439 ( 0.000 2.560 -2.573) 3.629 4.511 ( -0.000 -2.332 -10.040) 10.307 5.073 ( 0.000 1.695 -1.156) 2.051 5.228 ( -0.000 -1.044 -3.689) 3.834 8.154 ( 0.000 0.051 0.030) 0.059 8.157 ( -0.000 -0.014 -0.010) 0.018 10.090 ( -0.000 -0.600 3.781) 3.829 10.185 ( -0.000 -1.145 5.841) 5.952 10.842 ( -0.000 -0.216 -1.359) 1.376 11.074 ( 0.000 0.330 -6.891) 6.899 ======================= Grid point 233 (86/172) ======================= q-point: ( 0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -0.000 -0.000 18.501) 18.501 0.748 ( 0.000 0.000 -2.095) 2.095 0.826 ( 0.000 0.000 4.191) 4.191 0.865 ( -0.000 -0.000 3.367) 3.367 1.004 ( -0.000 -0.000 -0.092) 0.092 1.079 ( 0.000 0.000 11.067) 11.067 1.285 ( -0.000 -0.000 11.657) 11.657 1.333 ( 0.000 0.000 -2.209) 2.209 1.358 ( -0.000 -0.000 -2.166) 2.166 1.383 ( 0.000 0.000 6.743) 6.743 1.509 ( 0.000 0.000 5.555) 5.555 1.646 ( -0.000 -0.000 5.189) 5.189 1.773 ( -0.000 -0.000 -4.074) 4.074 2.415 ( 0.000 0.000 0.078) 0.078 2.468 ( 0.000 0.000 -1.619) 1.619 2.470 ( -0.000 -0.000 -1.489) 1.489 2.904 ( 0.000 0.000 2.618) 2.618 3.022 ( 0.000 0.000 1.354) 1.354 3.146 ( -0.000 -0.000 -5.344) 5.344 3.169 ( 0.000 0.000 -3.422) 3.422 3.239 ( 0.000 0.000 6.790) 6.790 3.346 ( 0.000 0.000 -0.592) 0.592 3.390 ( 0.000 0.000 -0.759) 0.759 3.496 ( 0.000 0.000 -0.063) 0.063 3.782 ( -0.000 -0.000 6.649) 6.649 3.875 ( 0.000 0.000 7.035) 7.035 4.450 ( 0.000 0.000 -1.405) 1.405 4.501 ( -0.000 -0.000 -10.758) 10.758 5.079 ( 0.000 0.000 -1.136) 1.136 5.224 ( 0.000 0.000 -3.625) 3.625 8.154 ( -0.000 -0.000 0.023) 0.023 8.157 ( 0.000 0.000 -0.014) 0.014 10.088 ( 0.000 0.000 3.697) 3.697 10.181 ( 0.000 0.000 5.531) 5.531 10.841 ( 0.000 0.000 -1.063) 1.063 11.075 ( 0.000 0.000 -6.672) 6.672 ======================= Grid point 302 (87/172) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 0.000 0.000 14.523) 14.523 0.585 ( 0.000 0.000 14.734) 14.734 0.975 ( 0.000 0.000 16.926) 16.926 0.979 ( 0.000 0.000 6.753) 6.753 1.219 ( 0.000 0.000 -5.804) 5.804 1.229 ( 0.000 0.000 -7.123) 7.123 1.234 ( 0.000 0.000 1.741) 1.741 1.337 ( 0.000 0.000 -1.309) 1.309 1.366 ( 0.000 0.000 -0.008) 0.008 1.489 ( 0.000 0.000 0.688) 0.688 1.718 ( 0.000 0.000 2.152) 2.152 1.872 ( 0.000 0.000 7.385) 7.385 2.101 ( 0.000 0.000 -0.926) 0.926 2.291 ( 0.000 0.000 -7.750) 7.750 2.371 ( 0.000 0.000 -0.202) 0.202 2.465 ( 0.000 0.000 -3.322) 3.322 2.830 ( 0.000 0.000 -2.700) 2.700 2.861 ( 0.000 0.000 -5.356) 5.356 2.977 ( 0.000 0.000 3.688) 3.688 3.047 ( 0.000 0.000 1.430) 1.430 3.349 ( 0.000 0.000 -1.036) 1.036 3.356 ( 0.000 0.000 -1.032) 1.032 3.434 ( 0.000 0.000 8.621) 8.621 3.749 ( 0.000 0.000 3.990) 3.990 3.937 ( 0.000 0.000 1.462) 1.462 3.973 ( 0.000 0.000 4.245) 4.245 4.285 ( 0.000 0.000 -8.913) 8.913 4.285 ( 0.000 0.000 -6.224) 6.224 4.975 ( 0.000 0.000 -0.548) 0.548 5.170 ( 0.000 0.000 -5.352) 5.352 8.154 ( 0.000 0.000 0.167) 0.167 8.158 ( 0.000 0.000 0.042) 0.042 10.252 ( 0.000 0.000 4.063) 4.063 10.471 ( 0.000 0.000 6.980) 6.980 10.659 ( 0.000 0.000 -10.268) 10.268 10.870 ( 0.000 0.000 -4.393) 4.393 ======================= Grid point 303 (88/172) ======================= q-point: ( 0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 10.672 -0.840 10.529) 15.015 0.686 ( 7.776 -2.014 12.167) 14.579 0.972 ( -0.066 2.148 5.899) 6.278 1.066 ( 6.156 -3.725 8.528) 11.158 1.199 ( 0.988 -0.750 2.093) 2.433 1.269 ( 3.348 1.922 1.751) 4.240 1.303 ( 6.670 -0.061 -6.112) 9.047 1.366 ( 1.842 0.467 0.535) 1.974 1.384 ( 2.970 0.171 -1.159) 3.193 1.509 ( 2.226 0.539 0.421) 2.329 1.669 ( -3.217 -0.272 6.874) 7.595 1.812 ( -3.693 1.236 5.989) 7.144 2.011 ( -6.214 0.940 0.583) 6.311 2.275 ( -1.402 -0.760 -7.249) 7.422 2.525 ( 12.341 0.242 -1.371) 12.419 2.601 ( 11.070 0.632 -5.002) 12.164 2.826 ( -0.779 -2.495 -2.350) 3.515 2.856 ( -0.009 -0.967 -4.550) 4.652 3.069 ( 7.970 0.376 2.447) 8.346 3.101 ( 5.032 -0.232 1.825) 5.358 3.420 ( 2.046 0.186 5.364) 5.744 3.431 ( 5.610 0.013 1.927) 5.931 3.435 ( 4.942 0.248 2.600) 5.590 3.746 ( -0.351 -0.584 4.120) 4.176 3.880 ( -2.337 5.587 0.358) 6.066 3.966 ( -2.146 -4.541 3.847) 6.327 4.241 ( -3.096 2.913 -7.953) 9.018 4.265 ( -3.225 -3.268 -6.633) 8.067 4.945 ( -2.599 -0.623 -0.938) 2.832 5.127 ( -4.053 0.084 -5.302) 6.675 8.279 ( 11.276 -0.144 0.373) 11.283 8.413 ( 21.026 0.620 -7.875) 22.461 10.217 ( -3.250 1.183 3.140) 4.672 10.419 ( -4.094 4.347 6.568) 8.877 10.580 ( -8.458 -4.386 -7.286) 11.995 10.743 ( -10.623 -0.983 -0.268) 10.672 ======================= Grid point 304 (89/172) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 9.848 0.602 5.731) 11.410 0.844 ( 6.228 -1.818 7.633) 10.017 0.979 ( 2.927 3.256 5.113) 6.731 1.130 ( 2.287 -4.710 3.325) 6.202 1.319 ( 3.445 5.761 1.396) 6.856 1.380 ( 7.625 -2.252 -0.001) 7.951 1.405 ( 5.287 -0.734 6.596) 8.485 1.462 ( 7.067 -0.295 -3.281) 7.797 1.484 ( 7.410 -1.622 -0.295) 7.591 1.573 ( 4.749 3.365 2.284) 6.253 1.644 ( 0.947 -1.818 7.959) 8.219 1.757 ( -1.132 -0.295 2.191) 2.484 1.897 ( -4.506 -0.570 -0.023) 4.542 2.249 ( -1.413 -0.650 -5.367) 5.588 2.783 ( 9.511 0.091 -2.483) 9.830 2.790 ( 6.547 2.141 -2.312) 7.266 2.843 ( 3.527 -3.697 -1.646) 5.368 2.919 ( 8.332 -0.134 -4.295) 9.375 3.218 ( 6.313 0.483 3.229) 7.108 3.251 ( 8.800 0.136 1.965) 9.018 3.407 ( -0.470 0.509 8.906) 8.933 3.497 ( 0.772 2.423 8.803) 9.163 3.628 ( 10.291 0.627 -0.337) 10.316 3.727 ( -1.093 -0.423 6.437) 6.543 3.894 ( 5.044 -1.747 -7.272) 9.022 3.928 ( -1.933 -0.629 4.235) 4.698 4.152 ( -4.688 1.540 -7.746) 9.184 4.194 ( -3.772 -1.032 -5.355) 6.631 4.895 ( -2.393 -0.778 -2.060) 3.252 5.027 ( -5.361 0.114 -5.103) 7.403 8.561 ( 15.507 -0.732 0.865) 15.549 8.815 ( 17.661 1.713 -11.287) 21.030 10.114 ( -6.521 1.393 1.514) 6.838 10.298 ( -5.864 5.431 3.338) 8.662 10.393 ( -10.689 -6.029 0.464) 12.281 10.522 ( -11.294 -0.826 1.520) 11.426 ======================= Grid point 305 (90/172) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 0.194 0.250 3.791) 3.804 0.919 ( 1.162 -0.176 4.314) 4.471 1.115 ( 9.712 3.362 4.467) 11.206 1.234 ( 4.872 -1.745 4.246) 6.694 1.351 ( 2.336 3.938 5.478) 7.139 1.441 ( 3.098 -2.168 1.895) 4.230 1.529 ( 4.222 -0.520 2.916) 5.158 1.570 ( 4.532 1.992 -0.626) 4.990 1.646 ( 5.756 -1.653 0.897) 6.055 1.691 ( 3.737 0.078 -0.889) 3.842 1.714 ( 5.958 -0.019 1.542) 6.154 1.804 ( 5.633 -1.234 2.730) 6.381 1.865 ( 2.095 -3.677 -1.164) 4.389 2.222 ( -1.429 0.015 -3.524) 3.803 2.832 ( 2.565 0.573 -0.297) 2.644 2.896 ( 4.033 -1.073 -2.923) 5.095 3.031 ( 9.072 0.334 -0.923) 9.125 3.117 ( 9.056 0.219 -2.318) 9.350 3.292 ( 0.469 0.530 9.117) 9.144 3.359 ( 0.208 0.143 7.783) 7.787 3.435 ( 4.076 0.800 5.113) 6.588 3.503 ( 2.719 3.107 2.848) 5.016 3.654 ( -1.783 2.033 6.294) 6.850 3.791 ( -1.140 -3.881 2.036) 4.529 3.950 ( 5.231 3.877 -3.435) 7.362 4.020 ( 1.298 -1.880 -4.257) 4.831 4.075 ( 2.220 -1.491 -4.170) 4.954 4.187 ( 4.024 -0.734 -4.390) 6.000 4.871 ( 0.372 -0.428 -2.855) 2.911 4.936 ( -2.898 0.262 -4.581) 5.427 8.862 ( 13.656 -1.102 0.847) 13.727 9.084 ( 10.138 1.824 -8.164) 13.144 9.954 ( -9.016 0.117 0.667) 9.042 10.130 ( -9.566 2.115 -3.179) 10.300 10.249 ( -4.987 -1.212 5.404) 7.453 10.317 ( -8.930 -0.769 3.700) 9.697 ======================= Grid point 306 (91/172) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -1.548 0.290 3.865) 4.174 0.911 ( -1.643 -0.039 4.010) 4.334 1.250 ( 3.086 1.004 2.778) 4.272 1.285 ( 3.042 4.733 1.652) 5.864 1.423 ( 4.957 -0.773 8.108) 9.535 1.542 ( 4.964 -4.081 2.737) 6.985 1.615 ( 3.752 -1.778 3.151) 5.213 1.651 ( 4.648 2.289 -0.026) 5.181 1.719 ( 2.367 0.071 -0.440) 2.408 1.762 ( 3.332 -2.797 0.725) 4.410 1.810 ( 3.628 -0.054 1.274) 3.846 1.875 ( 2.958 1.459 -4.076) 5.244 2.009 ( 6.758 -1.292 -0.450) 6.895 2.191 ( -1.559 0.284 -3.066) 3.451 2.902 ( 4.669 0.869 0.352) 4.762 2.990 ( 4.868 -0.729 -3.056) 5.794 3.149 ( 2.834 0.766 -0.332) 2.954 3.239 ( 2.712 0.526 1.295) 3.051 3.271 ( -1.166 0.844 10.579) 10.677 3.309 ( -3.152 0.665 10.312) 10.804 3.510 ( 0.790 0.254 2.629) 2.757 3.543 ( 2.634 -0.498 2.090) 3.399 3.640 ( 1.386 2.423 4.750) 5.510 3.740 ( -3.323 -1.415 2.309) 4.287 3.973 ( -0.563 0.903 -5.211) 5.318 4.029 ( 3.771 1.873 -6.284) 7.565 4.207 ( 3.959 -0.653 -1.557) 4.304 4.286 ( 2.752 -3.062 -3.589) 5.462 4.934 ( 5.637 0.319 -2.648) 6.236 4.946 ( 4.697 0.160 -3.204) 5.688 9.104 ( 10.351 -0.772 0.110) 10.381 9.226 ( 5.321 1.291 -4.582) 7.140 9.765 ( -9.595 -0.316 0.283) 9.605 9.919 ( -10.829 0.786 -4.106) 11.608 10.169 ( -3.568 0.723 4.857) 6.070 10.198 ( -3.180 -0.802 3.706) 4.949 ======================= Grid point 307 (92/172) ======================= q-point: ( 0.42 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -1.078 0.144 3.440) 3.608 0.869 ( -2.202 0.070 3.486) 4.123 1.277 ( 1.465 1.613 1.946) 2.922 1.324 ( 1.022 0.272 0.279) 1.094 1.517 ( 3.539 -0.265 9.947) 10.561 1.624 ( 1.152 -3.779 2.112) 4.479 1.689 ( 3.939 -0.714 2.730) 4.846 1.734 ( 3.691 1.526 -1.090) 4.140 1.775 ( 3.123 -0.754 0.107) 3.214 1.832 ( 2.034 -2.269 1.530) 3.410 1.845 ( 0.218 1.748 1.733) 2.471 1.917 ( 1.628 1.484 -2.514) 3.343 2.092 ( 1.813 1.063 -4.277) 4.766 2.168 ( -0.464 -0.056 -4.056) 4.083 3.002 ( 5.195 0.511 0.087) 5.221 3.085 ( 4.143 -0.751 -2.993) 5.166 3.153 ( -1.405 0.512 0.624) 1.620 3.229 ( -2.380 1.306 1.392) 3.051 3.234 ( -1.575 0.945 11.193) 11.343 3.275 ( -0.874 -0.569 11.892) 11.938 3.490 ( -1.371 -0.713 2.389) 2.845 3.594 ( 1.299 0.496 -0.038) 1.391 3.669 ( 1.587 0.448 3.679) 4.032 3.698 ( -0.829 -0.091 3.421) 3.521 3.997 ( 2.775 -0.350 -3.016) 4.114 4.111 ( 4.679 2.582 -5.908) 7.967 4.207 ( -2.704 0.137 -3.892) 4.741 4.294 ( -2.494 -2.921 -4.522) 5.933 5.061 ( 6.243 0.494 -1.534) 6.448 5.080 ( 6.426 -0.123 -2.052) 6.747 9.290 ( 8.079 -0.118 -1.326) 8.188 9.315 ( 4.761 0.580 -2.480) 5.399 9.587 ( -7.899 0.080 -0.000) 7.900 9.703 ( -10.432 -0.083 -3.191) 10.909 10.117 ( -1.530 0.235 4.249) 4.522 10.162 ( -1.026 -0.108 2.571) 2.770 ======================= Grid point 308 (93/172) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 0.000 -0.000 3.368) 3.368 0.837 ( -0.000 -0.000 2.845) 2.845 1.293 ( 0.000 -0.000 1.398) 1.398 1.330 ( 0.000 -0.000 0.053) 0.053 1.554 ( 0.000 -0.000 10.892) 10.892 1.637 ( 0.000 0.000 2.128) 2.128 1.751 ( -0.000 -0.000 -0.546) 0.546 1.772 ( -0.000 -0.000 0.950) 0.950 1.809 ( 0.000 -0.000 2.533) 2.533 1.825 ( 0.000 -0.000 0.879) 0.879 1.861 ( 0.000 -0.000 1.184) 1.184 1.929 ( 0.000 -0.000 -1.767) 1.767 2.102 ( 0.000 -0.000 -5.915) 5.915 2.166 ( 0.000 0.000 -4.704) 4.704 3.080 ( 0.000 -0.000 0.382) 0.382 3.108 ( -0.000 0.000 -0.844) 0.844 3.162 ( 0.000 -0.000 -2.060) 2.060 3.171 ( 0.000 -0.000 -2.466) 2.466 3.216 ( 0.000 0.000 15.134) 15.134 3.265 ( 0.000 -0.000 12.777) 12.777 3.477 ( 0.000 0.000 2.387) 2.387 3.601 ( 0.000 -0.000 -1.525) 1.525 3.686 ( 0.000 -0.000 4.125) 4.125 3.695 ( 0.000 -0.000 3.515) 3.515 4.048 ( 0.000 -0.000 -0.046) 0.046 4.139 ( 0.000 -0.000 -5.542) 5.542 4.190 ( -0.000 -0.000 -6.267) 6.267 4.251 ( 0.000 -0.000 -5.514) 5.514 5.129 ( 0.000 -0.000 -1.112) 1.112 5.151 ( 0.000 -0.000 -1.723) 1.723 9.382 ( 0.000 -0.000 -1.970) 1.970 9.410 ( 0.000 -0.000 -2.991) 2.991 9.506 ( 0.000 -0.000 -0.473) 0.473 9.535 ( -0.000 -0.000 -1.294) 1.294 10.102 ( 0.000 0.000 3.941) 3.941 10.152 ( 0.000 -0.000 2.207) 2.207 ======================= Grid point 316 (94/172) ======================= q-point: ( 0.08 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 9.818 -0.000 5.082) 11.056 0.837 ( 6.695 -0.000 8.121) 10.525 0.993 ( 3.167 -0.000 5.845) 6.648 1.110 ( 2.244 -0.000 2.214) 3.153 1.349 ( 3.790 -0.000 1.809) 4.200 1.363 ( 7.743 -0.000 -1.077) 7.818 1.402 ( 4.726 -0.000 7.228) 8.636 1.462 ( 8.375 -0.000 -4.560) 9.536 1.477 ( 6.343 -0.000 1.087) 6.435 1.587 ( 5.168 -0.000 0.380) 5.182 1.635 ( 0.720 -0.000 10.169) 10.194 1.756 ( -1.700 0.000 1.905) 2.553 1.895 ( -4.953 0.000 0.066) 4.954 2.246 ( -1.257 0.000 -5.512) 5.653 2.784 ( 9.288 -0.000 -2.476) 9.612 2.803 ( 6.015 -0.000 -3.322) 6.872 2.825 ( 4.478 -0.000 -0.475) 4.503 2.919 ( 8.562 -0.000 -4.341) 9.599 3.220 ( 6.105 -0.000 3.317) 6.948 3.251 ( 8.963 -0.000 1.919) 9.167 3.409 ( -0.472 0.000 8.790) 8.803 3.506 ( 1.135 -0.000 8.892) 8.964 3.632 ( 11.154 -0.000 -0.832) 11.185 3.725 ( -2.182 0.000 6.957) 7.291 3.886 ( 3.772 -0.000 -7.829) 8.691 3.926 ( -0.767 0.000 4.600) 4.664 4.158 ( -5.391 0.000 -7.786) 9.470 4.190 ( -2.989 0.000 -5.372) 6.148 4.892 ( -2.301 0.000 -2.034) 3.071 5.027 ( -5.364 0.000 -5.114) 7.411 8.558 ( 15.459 -0.000 0.943) 15.487 8.821 ( 17.626 -0.000 -11.763) 21.191 10.119 ( -6.765 0.000 1.479) 6.925 10.329 ( -5.089 0.000 7.078) 8.717 10.360 ( -11.299 0.000 -2.811) 11.644 10.519 ( -11.196 0.000 1.397) 11.283 ======================= Grid point 317 (95/172) ======================= q-point: ( 0.17 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.158 0.108 3.640) 3.645 0.918 ( 1.355 -0.104 4.424) 4.628 1.137 ( 9.043 2.176 4.045) 10.142 1.217 ( 7.099 -1.881 4.755) 8.749 1.381 ( 0.455 3.498 2.956) 4.602 1.424 ( 2.954 -2.317 3.017) 4.816 1.521 ( 4.213 -0.915 2.749) 5.113 1.594 ( 4.988 3.814 -0.384) 6.290 1.625 ( 5.179 -3.602 1.950) 6.603 1.698 ( 4.928 1.272 0.110) 5.091 1.711 ( 3.721 -0.695 0.235) 3.793 1.798 ( 8.683 -0.514 4.952) 10.009 1.846 ( 0.639 -1.411 -2.834) 3.229 2.222 ( -1.275 0.006 -3.562) 3.783 2.836 ( 2.601 0.276 -0.228) 2.625 2.890 ( 4.289 -0.414 -2.609) 5.037 3.033 ( 9.225 0.116 -0.835) 9.264 3.117 ( 8.997 0.035 -2.106) 9.240 3.295 ( 0.586 0.190 9.107) 9.128 3.359 ( 0.444 0.047 7.608) 7.621 3.439 ( 4.115 0.275 4.970) 6.459 3.518 ( 1.355 0.885 3.879) 4.203 3.673 ( -1.663 2.306 6.501) 7.095 3.765 ( -0.236 -2.698 0.820) 2.830 3.976 ( 4.581 2.759 -5.893) 7.957 4.005 ( 4.573 -1.926 -1.543) 5.196 4.067 ( 0.059 -0.684 -4.279) 4.334 4.183 ( 3.292 -0.235 -4.182) 5.327 4.869 ( 0.534 -0.151 -2.762) 2.817 4.938 ( -2.854 0.090 -4.556) 5.377 8.856 ( 13.736 -0.375 1.021) 13.779 9.093 ( 9.926 0.640 -8.699) 13.214 9.955 ( -9.320 0.077 1.056) 9.380 10.141 ( -10.477 0.814 -3.090) 10.953 10.243 ( -3.695 -0.485 5.490) 6.635 10.313 ( -8.941 -0.314 3.890) 9.755 ======================= Grid point 318 (96/172) ======================= q-point: ( 0.25 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -1.556 0.163 3.911) 4.212 0.911 ( -1.631 -0.018 3.997) 4.317 1.256 ( 2.958 0.585 2.742) 4.076 1.317 ( 2.153 3.585 1.227) 4.358 1.418 ( 4.893 -0.412 7.852) 9.261 1.514 ( 4.701 -3.415 3.462) 6.764 1.604 ( 3.868 -1.027 3.586) 5.373 1.672 ( 4.718 3.200 0.547) 5.727 1.714 ( 2.871 -1.568 1.550) 3.620 1.745 ( 2.515 -1.712 -1.582) 3.429 1.809 ( 4.215 -0.125 1.195) 4.383 1.885 ( 3.038 0.973 -4.228) 5.297 2.002 ( 7.952 -0.767 -0.154) 7.991 2.192 ( -1.622 0.153 -2.945) 3.366 2.908 ( 4.624 0.538 0.474) 4.680 2.985 ( 4.915 -0.418 -2.677) 5.612 3.153 ( 2.832 0.416 -0.083) 2.864 3.242 ( 3.136 0.263 1.356) 3.427 3.275 ( -1.416 0.309 12.274) 12.359 3.313 ( -3.363 0.513 8.885) 9.515 3.513 ( -0.599 0.411 3.175) 3.257 3.539 ( 3.608 -0.698 2.719) 4.571 3.660 ( 0.999 2.722 4.453) 5.314 3.727 ( -2.899 -1.950 1.948) 4.000 3.977 ( -1.111 0.198 -5.264) 5.383 4.044 ( 4.108 1.794 -7.076) 8.377 4.202 ( 4.478 -0.553 -0.818) 4.586 4.267 ( 2.519 -1.961 -3.363) 4.636 4.936 ( 6.074 0.189 -2.505) 6.573 4.947 ( 4.315 0.083 -3.119) 5.325 9.099 ( 10.568 -0.399 0.312) 10.580 9.233 ( 5.062 0.699 -4.874) 7.062 9.763 ( -9.542 -0.166 0.844) 9.581 9.923 ( -11.121 0.440 -3.827) 11.770 10.175 ( -3.896 0.739 4.870) 6.280 10.192 ( -2.660 -0.787 3.823) 4.723 ======================= Grid point 319 (97/172) ======================= q-point: ( 0.33 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -1.172 0.102 3.658) 3.842 0.869 ( -2.162 0.052 3.490) 4.106 1.288 ( 1.436 1.415 2.033) 2.863 1.325 ( -0.055 0.075 0.662) 0.668 1.516 ( 3.666 -0.163 9.966) 10.620 1.600 ( 2.387 -2.708 2.325) 4.293 1.685 ( 4.065 -0.417 3.286) 5.243 1.746 ( 2.653 1.611 -1.489) 3.443 1.770 ( 3.204 -0.535 -0.105) 3.250 1.815 ( 2.885 -2.299 1.823) 4.115 1.855 ( 0.148 0.946 1.992) 2.210 1.928 ( 1.539 1.356 -2.999) 3.634 2.099 ( 1.968 0.753 -4.261) 4.753 2.168 ( -0.576 -0.128 -3.966) 4.010 3.006 ( 5.002 0.394 0.159) 5.020 3.080 ( 4.218 -0.511 -2.724) 5.047 3.156 ( -1.664 0.320 1.036) 1.986 3.238 ( -2.036 0.953 6.455) 6.836 3.241 ( -2.362 0.800 6.233) 6.713 3.271 ( -0.683 -0.555 12.049) 12.081 3.486 ( -1.174 -0.408 2.710) 2.981 3.597 ( 1.324 0.330 0.246) 1.386 3.673 ( 0.681 0.616 3.400) 3.522 3.696 ( -0.224 -0.424 3.661) 3.692 3.994 ( 2.571 -0.298 -3.090) 4.031 4.130 ( 4.805 2.444 -6.339) 8.321 4.209 ( -2.549 0.300 -3.601) 4.422 4.272 ( -2.385 -2.827 -4.223) 5.614 5.064 ( 6.071 0.341 -1.544) 6.273 5.079 ( 6.484 -0.076 -1.890) 6.754 9.289 ( 8.390 -0.053 -1.155) 8.469 9.318 ( 4.370 0.391 -2.543) 5.071 9.588 ( -7.692 0.056 0.327) 7.699 9.702 ( -10.712 -0.057 -2.969) 11.116 10.118 ( -1.643 0.169 4.325) 4.629 10.161 ( -0.931 -0.077 2.621) 2.782 ======================= Grid point 320 (98/172) ======================= q-point: ( 0.42 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 0.388 -0.008 3.367) 3.389 0.837 ( -0.471 0.006 2.845) 2.884 1.293 ( -0.948 -0.009 1.408) 1.698 1.330 ( 0.553 0.053 0.046) 0.558 1.554 ( 0.071 -0.000 10.894) 10.894 1.637 ( 1.316 0.099 2.058) 2.445 1.751 ( 0.554 0.004 -0.450) 0.714 1.772 ( 0.634 -0.122 1.196) 1.359 1.808 ( -1.446 -0.445 1.623) 2.218 1.824 ( -0.180 -0.120 1.550) 1.565 1.860 ( 0.618 -0.185 1.182) 1.347 1.933 ( -0.524 0.942 -1.826) 2.121 2.102 ( -0.713 -0.068 -5.905) 5.948 2.166 ( 0.041 -0.142 -4.689) 4.691 3.080 ( -0.110 -0.009 0.377) 0.392 3.108 ( -0.257 0.123 -0.818) 0.866 3.158 ( 2.506 -0.833 -2.116) 3.384 3.175 ( -2.685 0.713 -2.480) 3.724 3.216 ( -0.365 -0.025 15.176) 15.181 3.265 ( 0.215 0.006 12.777) 12.779 3.477 ( 0.299 0.127 2.389) 2.411 3.601 ( -0.242 -0.001 -1.523) 1.542 3.685 ( 0.331 -0.302 4.106) 4.131 3.696 ( -0.428 0.178 3.526) 3.556 4.047 ( 0.563 -0.165 -0.041) 0.588 4.142 ( -0.988 0.862 -5.578) 5.730 4.186 ( -1.969 -1.021 -6.166) 6.552 4.252 ( 2.597 0.350 -5.577) 6.162 5.129 ( -0.209 -0.098 -1.101) 1.124 5.151 ( 0.070 0.089 -1.733) 1.737 9.382 ( -1.110 0.025 -1.985) 2.274 9.409 ( 1.530 -0.051 -2.963) 3.335 9.506 ( -3.172 0.081 -0.496) 3.211 9.535 ( 2.586 -0.055 -1.284) 2.887 10.102 ( -0.071 -0.011 3.941) 3.942 10.152 ( 0.014 0.010 2.207) 2.207 ======================= Grid point 321 (99/172) ======================= q-point: (-0.50 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 0.970 -0.149 3.191) 3.339 0.868 ( 2.244 -0.069 3.476) 4.139 1.266 ( -1.757 -1.405 1.821) 2.894 1.322 ( -1.840 -0.334 -0.103) 1.873 1.519 ( -3.367 0.296 9.981) 10.538 1.653 ( 0.160 4.033 1.652) 4.362 1.695 ( -3.708 0.984 2.016) 4.334 1.725 ( -4.364 -1.121 -0.808) 4.577 1.780 ( -3.242 0.698 0.354) 3.336 1.829 ( -0.027 -2.573 1.505) 2.981 1.846 ( -1.709 1.518 1.307) 2.634 1.908 ( -1.860 -0.754 -1.742) 2.658 2.084 ( -1.641 -1.149 -4.313) 4.756 2.168 ( 0.385 -0.054 -4.172) 4.190 2.999 ( -5.399 -0.487 0.011) 5.421 3.091 ( -4.089 0.881 -3.311) 5.335 3.148 ( 1.125 -0.657 0.114) 1.308 3.219 ( 2.393 -1.406 -0.897) 2.917 3.228 ( 1.114 -0.792 13.342) 13.412 3.279 ( 1.005 0.460 11.753) 11.805 3.496 ( 1.624 0.905 2.028) 2.751 3.590 ( -1.347 -0.528 -0.272) 1.472 3.667 ( -2.140 -0.242 3.806) 4.373 3.698 ( 1.097 -0.262 3.238) 3.429 3.999 ( -3.086 0.250 -2.807) 4.179 4.094 ( -4.589 -2.025 -5.863) 7.715 4.207 ( 2.946 -0.053 -3.956) 4.933 4.313 ( 2.692 2.414 -4.802) 6.011 5.057 ( -6.378 -0.516 -1.533) 6.580 5.081 ( -6.424 0.134 -2.227) 6.800 9.291 ( -7.610 0.216 -1.556) 7.770 9.310 ( -5.319 -0.677 -2.381) 5.867 9.586 ( 8.130 -0.083 -0.382) 8.139 9.704 ( 10.118 0.089 -3.437) 10.686 10.115 ( 1.412 -0.240 4.165) 4.405 10.163 ( 1.121 0.110 2.508) 2.750 ======================= Grid point 322 (100/172) ======================= q-point: (-0.42 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 1.534 -0.347 3.800) 4.112 0.911 ( 1.666 0.058 4.028) 4.359 1.241 ( -2.060 -1.762 2.919) 3.984 1.252 ( -5.224 -3.726 1.853) 6.679 1.429 ( -4.839 0.908 8.231) 9.591 1.569 ( -5.423 3.248 2.229) 6.703 1.619 ( -5.757 -1.328 1.863) 6.195 1.651 ( -2.660 2.662 -0.109) 3.765 1.715 ( -3.018 -0.895 -1.227) 3.378 1.782 ( -2.926 2.591 1.881) 4.337 1.809 ( -3.130 -0.334 1.236) 3.381 1.865 ( -2.753 -1.424 -3.632) 4.775 2.020 ( -5.165 1.536 -0.845) 5.455 2.188 ( 1.480 -0.361 -3.245) 3.585 2.896 ( -4.710 -0.930 0.190) 4.804 2.996 ( -4.795 0.902 -3.560) 6.040 3.142 ( -2.827 -0.961 -0.717) 3.071 3.234 ( -2.371 -0.821 0.262) 2.523 3.263 ( 1.247 -1.405 9.682) 9.863 3.305 ( 2.554 -0.394 11.778) 12.058 3.510 ( -1.881 0.066 2.075) 2.802 3.544 ( -2.610 -0.330 1.201) 2.892 3.627 ( -1.101 -0.880 5.400) 5.581 3.747 ( 3.646 0.366 2.414) 4.388 3.963 ( -0.821 -1.835 -4.807) 5.210 4.020 ( -2.529 -0.721 -6.051) 6.598 4.211 ( -3.635 0.612 -1.933) 4.162 4.309 ( -2.818 3.100 -3.985) 5.782 4.931 ( -5.101 -0.358 -2.839) 5.849 4.945 ( -5.155 -0.205 -3.327) 6.139 9.110 ( -10.017 1.075 -0.191) 10.076 9.215 ( -5.713 -1.674 -4.172) 7.270 9.768 ( 9.704 0.415 -0.475) 9.724 9.912 ( 10.395 -0.951 -4.466) 11.354 10.165 ( 3.516 -0.575 4.855) 6.022 10.203 ( 3.493 0.660 3.513) 4.998 ======================= Grid point 323 (101/172) ======================= q-point: (-0.33 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -0.173 -0.259 4.001) 4.013 0.920 ( -1.059 -0.025 4.168) 4.300 1.093 ( -9.767 -2.328 4.965) 11.201 1.233 ( -1.914 -2.360 3.670) 4.765 1.332 ( -4.812 -0.749 8.159) 9.502 1.456 ( -3.938 1.929 0.911) 4.479 1.519 ( -4.514 -2.686 3.195) 6.148 1.572 ( -4.225 1.854 -1.597) 4.882 1.646 ( -5.442 -1.121 -0.473) 5.576 1.699 ( -3.629 1.384 0.367) 3.901 1.714 ( -7.353 0.430 1.315) 7.482 1.814 ( -3.064 1.471 0.655) 3.461 1.897 ( -3.257 4.629 0.226) 5.665 2.222 ( 1.704 -0.016 -3.452) 3.850 2.828 ( -2.309 -0.447 -0.432) 2.391 2.905 ( -3.667 1.491 -3.432) 5.239 3.028 ( -8.812 -0.508 -1.125) 8.898 3.114 ( -9.211 -0.684 -2.764) 9.641 3.287 ( -0.220 -0.771 9.186) 9.221 3.357 ( 0.304 -0.246 8.175) 8.184 3.427 ( -4.253 -1.621 5.165) 6.884 3.475 ( -4.526 -4.201 2.058) 6.509 3.648 ( 2.231 0.441 6.271) 6.670 3.816 ( 2.115 2.751 2.896) 4.520 3.921 ( -5.199 -3.993 -2.529) 7.026 4.033 ( 1.033 1.764 -5.276) 5.659 4.086 ( -3.812 1.288 -4.179) 5.802 4.194 ( -5.406 1.211 -4.802) 7.331 4.875 ( -0.094 0.631 -3.022) 3.089 4.934 ( 2.978 -0.408 -4.620) 5.511 8.872 ( -13.497 1.748 0.508) 13.619 9.067 ( -10.525 -2.734 -7.218) 13.052 9.953 ( 8.576 0.074 0.001) 8.576 10.112 ( 8.487 -2.778 -3.363) 9.543 10.259 ( 6.626 1.481 5.242) 8.578 10.323 ( 8.930 0.887 3.425) 9.605 ======================= Grid point 324 (102/172) ======================= q-point: (-0.25 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -9.582 -0.283 6.406) 11.530 0.861 ( -4.991 2.681 7.192) 9.155 0.955 ( -2.828 -2.875 4.308) 5.901 1.168 ( -2.199 5.025 5.323) 7.643 1.272 ( -3.151 -7.154 3.054) 8.393 1.388 ( -5.058 -0.108 -1.198) 5.199 1.417 ( -7.389 2.763 6.049) 9.941 1.468 ( -5.928 1.025 -2.393) 6.474 1.498 ( -8.419 2.177 -1.138) 8.770 1.545 ( -5.095 -3.616 3.878) 7.354 1.656 ( -0.482 1.368 5.201) 5.400 1.760 ( -0.341 0.731 3.040) 3.145 1.901 ( 3.171 0.207 -0.146) 3.181 2.255 ( 1.828 1.116 -4.975) 5.416 2.778 ( -8.825 -0.925 -2.064) 9.110 2.783 ( -8.335 -0.074 -2.482) 8.697 2.872 ( -1.959 3.884 -2.378) 4.957 2.920 ( -7.604 0.042 -4.189) 8.681 3.213 ( -6.862 -0.836 3.052) 7.556 3.249 ( -8.343 -0.513 2.064) 8.609 3.402 ( 0.458 -0.865 9.193) 9.245 3.473 ( 0.182 -4.078 8.760) 9.664 3.626 ( -9.477 0.120 0.409) 9.487 3.729 ( -0.339 0.214 5.537) 5.551 3.907 ( -7.079 1.757 -4.113) 8.374 3.936 ( 3.628 1.719 1.542) 4.301 4.138 ( 3.805 -2.157 -7.806) 8.947 4.203 ( 4.913 1.271 -5.149) 7.229 4.903 ( 2.645 1.372 -2.130) 3.662 5.026 ( 5.348 -0.239 -5.071) 7.374 8.569 ( -15.647 1.436 0.632) 15.726 8.797 ( -17.742 -3.111 -9.995) 20.600 10.101 ( 5.916 -1.882 1.510) 6.389 10.259 ( 5.258 -5.132 1.837) 7.574 10.437 ( 11.687 5.812 0.872) 13.082 10.530 ( 11.560 1.264 1.795) 11.767 ======================= Grid point 325 (103/172) ======================= q-point: (-0.17 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -9.096 2.881 10.928) 14.507 0.713 ( -7.353 5.203 11.114) 14.306 0.949 ( -0.063 -3.645 4.577) 5.852 1.110 ( -5.423 7.866 7.612) 12.216 1.208 ( -1.622 1.762 5.163) 5.691 1.243 ( -2.831 -5.061 2.558) 6.339 1.303 ( -6.188 0.043 -5.244) 8.112 1.361 ( -2.725 -0.880 0.123) 2.866 1.382 ( -3.710 -0.191 -1.382) 3.964 1.501 ( -1.540 -1.773 0.642) 2.435 1.674 ( 2.533 1.100 6.882) 7.415 1.795 ( 2.836 -3.152 5.181) 6.694 1.996 ( 5.288 -3.355 1.047) 6.350 2.286 ( 1.647 2.037 -6.724) 7.217 2.522 ( -12.019 -0.381 -1.280) 12.093 2.593 ( -10.789 -1.224 -4.429) 11.727 2.858 ( 1.321 5.773 -3.102) 6.685 2.870 ( 0.560 2.803 -4.427) 5.269 3.065 ( -7.461 -0.911 2.427) 7.899 3.104 ( -5.331 0.480 1.688) 5.612 3.417 ( -1.644 -0.471 6.130) 6.364 3.430 ( -4.756 -0.594 2.349) 5.338 3.433 ( -5.709 -0.174 2.066) 6.074 3.753 ( 0.816 1.112 4.331) 4.546 3.829 ( -0.594 -6.965 0.588) 7.015 4.002 ( 3.409 4.337 3.543) 6.556 4.221 ( 3.162 -2.368 -8.580) 9.446 4.290 ( 3.809 3.511 -6.061) 7.973 4.954 ( 2.710 1.714 -1.004) 3.360 5.125 ( 4.031 -0.265 -5.212) 6.594 8.281 ( -11.465 0.433 0.305) 11.478 8.405 ( -20.538 -1.688 -7.043) 21.777 10.201 ( 3.102 -2.911 3.157) 5.298 10.373 ( 3.756 -7.014 4.721) 9.251 10.625 ( 8.183 6.948 -5.456) 12.042 10.757 ( 11.086 2.573 -0.300) 11.385 ======================= Grid point 326 (104/172) ======================= q-point: (-0.08 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 0.000 5.619 13.683) 14.792 0.600 ( 0.000 3.980 14.222) 14.768 0.960 ( -0.000 -2.810 8.005) 8.484 1.005 ( 0.000 6.042 14.385) 15.603 1.223 ( 0.000 0.787 -3.054) 3.154 1.223 ( -0.000 -2.655 1.086) 2.869 1.231 ( 0.000 0.427 -6.222) 6.237 1.335 ( -0.000 -0.383 -1.430) 1.481 1.354 ( -0.000 -2.775 -0.402) 2.804 1.490 ( -0.000 -0.140 0.494) 0.513 1.714 ( -0.000 -0.964 3.072) 3.219 1.856 ( -0.000 -4.155 7.087) 8.216 2.087 ( -0.000 -4.008 -0.203) 4.013 2.297 ( 0.000 1.775 -7.517) 7.723 2.374 ( 0.000 0.813 -0.253) 0.851 2.465 ( -0.000 -0.119 -3.261) 3.263 2.854 ( 0.000 6.131 -3.521) 7.070 2.871 ( 0.000 2.700 -5.327) 5.972 2.976 ( -0.000 -0.243 3.671) 3.679 3.047 ( 0.000 0.045 1.415) 1.415 3.347 ( -0.000 -0.521 -0.958) 1.090 3.358 ( 0.000 0.505 -1.097) 1.208 3.432 ( -0.000 -0.467 8.761) 8.774 3.754 ( 0.000 1.378 3.822) 4.063 3.874 ( -0.000 -11.040 3.379) 11.545 4.021 ( 0.000 6.809 3.074) 7.471 4.263 ( -0.000 -2.338 -8.576) 8.889 4.314 ( 0.000 4.347 -6.865) 8.126 4.981 ( 0.000 1.344 -0.577) 1.462 5.170 ( -0.000 -0.202 -5.287) 5.291 8.154 ( -0.000 -0.000 0.159) 0.159 8.158 ( -0.000 -0.027 0.037) 0.046 10.242 ( -0.000 -2.382 4.003) 4.658 10.441 ( -0.000 -6.998 5.704) 9.028 10.685 ( 0.000 5.958 -8.372) 10.276 10.880 ( 0.000 2.413 -4.572) 5.170 ======================= Grid point 329 (105/172) ======================= q-point: ( 0.17 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -1.559 0.000 3.927) 4.225 0.911 ( -1.627 0.000 3.992) 4.311 1.258 ( 2.858 -0.000 2.732) 3.954 1.331 ( 1.824 -0.000 0.972) 2.066 1.417 ( 4.718 -0.000 7.615) 8.958 1.500 ( 4.814 -0.000 3.983) 6.248 1.601 ( 4.048 -0.000 3.765) 5.529 1.693 ( 4.039 -0.000 -1.839) 4.437 1.699 ( 4.289 -0.000 5.118) 6.678 1.739 ( 1.526 -0.000 -2.703) 3.104 1.808 ( 4.470 -0.000 1.141) 4.614 1.888 ( 3.031 -0.000 -4.267) 5.234 1.999 ( 8.408 -0.000 -0.040) 8.408 2.193 ( -1.646 0.000 -2.903) 3.337 2.910 ( 4.605 -0.000 0.519) 4.634 2.984 ( 4.933 -0.000 -2.535) 5.546 3.154 ( 2.830 -0.000 0.002) 2.830 3.243 ( 3.329 -0.000 1.267) 3.562 3.276 ( -1.582 0.000 12.979) 13.076 3.315 ( -3.386 0.000 8.385) 9.043 3.515 ( -1.626 0.000 3.464) 3.827 3.536 ( 4.546 -0.000 2.845) 5.363 3.672 ( 0.793 -0.000 4.739) 4.805 3.718 ( -2.750 0.000 1.440) 3.104 3.977 ( -1.190 0.000 -5.236) 5.370 4.051 ( 4.067 -0.000 -7.581) 8.603 4.200 ( 4.795 -0.000 -0.315) 4.805 4.260 ( 2.349 -0.000 -3.340) 4.083 4.936 ( 6.250 -0.000 -2.451) 6.714 4.947 ( 4.159 -0.000 -3.090) 5.182 9.098 ( 10.643 -0.000 0.383) 10.650 9.236 ( 4.972 -0.000 -4.980) 7.037 9.763 ( -9.528 0.000 1.052) 9.586 9.925 ( -11.223 0.000 -3.722) 11.824 10.178 ( -4.531 0.000 4.990) 6.740 10.188 ( -1.955 0.000 3.747) 4.226 ======================= Grid point 330 (106/172) ======================= q-point: ( 0.25 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -1.227 0.036 3.784) 3.979 0.869 ( -2.139 0.019 3.491) 4.094 1.296 ( 1.727 0.615 2.060) 2.758 1.325 ( -1.069 -0.042 0.921) 1.412 1.515 ( 3.719 -0.049 10.020) 10.688 1.586 ( 3.166 -0.994 2.372) 4.079 1.683 ( 4.129 -0.135 3.581) 5.468 1.756 ( 1.389 0.815 -1.911) 2.499 1.768 ( 3.335 -0.050 -0.621) 3.392 1.801 ( 3.945 -1.228 2.629) 4.897 1.859 ( 0.149 0.293 2.064) 2.090 1.935 ( 1.514 0.535 -3.202) 3.582 2.103 ( 2.079 0.276 -4.260) 4.748 2.167 ( -0.671 -0.069 -3.915) 3.973 3.008 ( 4.882 0.150 0.204) 4.888 3.078 ( 4.268 -0.184 -2.567) 4.984 3.157 ( -1.812 0.108 1.258) 2.208 3.243 ( -1.843 0.453 11.311) 11.469 3.245 ( -2.900 0.246 1.392) 3.227 3.268 ( -0.477 -0.268 12.191) 12.203 3.484 ( -1.067 -0.126 2.902) 3.094 3.598 ( 1.373 0.111 0.446) 1.448 3.677 ( -0.455 0.405 3.005) 3.066 3.693 ( 0.704 -0.346 3.991) 4.068 3.993 ( 2.475 -0.116 -3.096) 3.966 4.144 ( 4.997 1.094 -6.954) 8.633 4.212 ( -2.458 0.304 -3.096) 3.965 4.256 ( -2.466 -1.418 -4.052) 4.951 5.065 ( 5.933 0.118 -1.555) 6.134 5.079 ( 6.556 -0.023 -1.790) 6.796 9.289 ( 8.547 -0.014 -1.062) 8.613 9.320 ( 4.167 0.138 -2.575) 4.901 9.588 ( -7.568 0.020 0.515) 7.586 9.702 ( -10.877 -0.020 -2.837) 11.241 10.119 ( -1.713 0.061 4.370) 4.694 10.161 ( -0.871 -0.028 2.648) 2.787 ======================= Grid point 331 (107/172) ======================= q-point: ( 0.33 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 0.639 -0.008 3.366) 3.426 0.837 ( -0.783 0.005 2.846) 2.951 1.293 ( -1.629 -0.009 1.427) 2.166 1.331 ( 0.944 0.053 0.030) 0.946 1.554 ( 0.122 -0.000 10.898) 10.899 1.638 ( 2.334 0.103 1.912) 3.019 1.751 ( 0.969 0.006 -0.244) 0.999 1.771 ( 1.042 -0.059 1.742) 2.030 1.803 ( -2.154 -0.806 0.206) 2.309 1.825 ( -0.716 0.343 2.430) 2.556 1.858 ( 1.001 -0.276 1.171) 1.565 1.940 ( -0.767 0.870 -1.942) 2.262 2.102 ( -1.278 -0.073 -5.883) 6.021 2.165 ( 0.091 -0.144 -4.657) 4.660 3.080 ( -0.190 -0.009 0.366) 0.413 3.109 ( -0.485 0.136 -0.758) 0.910 3.153 ( 2.772 -0.575 -2.156) 3.558 3.179 ( -3.044 0.443 -2.598) 4.026 3.216 ( -0.629 -0.026 15.272) 15.285 3.265 ( 0.371 0.006 12.778) 12.784 3.478 ( 0.520 0.128 2.393) 2.452 3.601 ( -0.421 -0.001 -1.517) 1.575 3.682 ( 0.418 -0.253 4.096) 4.125 3.697 ( -0.588 0.128 3.520) 3.571 4.046 ( 0.920 -0.156 -0.028) 0.934 4.150 ( -1.560 1.399 -5.704) 6.077 4.177 ( -3.100 -1.526 -5.939) 6.871 4.255 ( 4.089 0.310 -5.680) 7.006 5.128 ( -0.347 -0.092 -1.079) 1.137 5.152 ( 0.108 0.083 -1.751) 1.756 9.382 ( -1.965 0.026 -2.015) 2.815 9.409 ( 2.683 -0.051 -2.906) 3.956 9.507 ( -5.669 0.084 -0.543) 5.695 9.535 ( 4.663 -0.058 -1.264) 4.832 10.102 ( -0.123 -0.011 3.942) 3.944 10.152 ( 0.024 0.010 2.207) 2.207 ======================= Grid point 332 (108/172) ======================= q-point: (-0.58 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 0.877 -0.113 2.979) 3.108 0.868 ( 2.279 -0.050 3.465) 4.148 1.257 ( -2.087 -0.940 1.703) 2.853 1.320 ( -2.367 -0.254 -0.403) 2.415 1.521 ( -3.203 0.231 10.039) 10.540 1.679 ( 0.691 3.032 0.745) 3.197 1.703 ( -3.101 1.190 1.395) 3.603 1.719 ( -4.269 -0.340 -0.392) 4.300 1.785 ( -3.571 0.447 0.690) 3.664 1.809 ( -0.364 -2.863 1.187) 3.120 1.854 ( -1.192 0.452 1.319) 1.834 1.907 ( -2.230 0.181 -0.960) 2.435 2.076 ( -1.452 -0.929 -4.358) 4.687 2.168 ( 0.339 -0.099 -4.288) 4.303 2.995 ( -5.563 -0.345 -0.049) 5.574 3.097 ( -4.124 0.826 -3.630) 5.555 3.143 ( 0.963 -0.669 -0.322) 1.216 3.210 ( 2.183 -1.074 -1.511) 2.864 3.223 ( 0.941 -0.524 13.844) 13.886 3.282 ( 1.086 0.295 11.645) 11.699 3.503 ( 1.874 0.800 1.713) 2.662 3.586 ( -1.438 -0.401 -0.400) 1.546 3.665 ( -2.404 -0.097 3.820) 4.515 3.695 ( 1.139 -0.390 3.103) 3.328 4.000 ( -3.438 0.092 -2.494) 4.248 4.082 ( -4.466 -1.198 -6.075) 7.634 4.207 ( 3.193 -0.016 -3.923) 5.058 4.328 ( 2.868 1.575 -5.005) 5.980 5.053 ( -6.463 -0.389 -1.535) 6.654 5.082 ( -6.454 0.102 -2.373) 6.877 9.293 ( -6.943 0.336 -1.824) 7.186 9.305 ( -6.064 -0.673 -2.230) 6.496 9.586 ( 8.322 -0.063 -0.715) 8.353 9.704 ( 9.854 0.069 -3.642) 10.506 10.113 ( 1.319 -0.179 4.095) 4.306 10.164 ( 1.194 0.081 2.450) 2.727 ======================= Grid point 333 (109/172) ======================= q-point: (-0.50 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 1.515 -0.312 3.731) 4.039 0.912 ( 1.699 0.064 4.046) 4.388 1.220 ( -2.513 -3.175 2.592) 4.808 1.238 ( -5.779 -1.016 2.370) 6.328 1.436 ( -4.688 0.806 8.302) 9.569 1.589 ( -5.544 2.126 1.325) 6.084 1.607 ( -6.252 -1.390 1.362) 6.548 1.676 ( -3.170 3.649 -0.607) 4.872 1.708 ( -3.501 -0.980 -1.261) 3.848 1.797 ( -1.002 0.663 1.663) 2.051 1.806 ( -3.802 0.389 1.615) 4.150 1.855 ( -2.583 -1.157 -2.742) 3.941 2.031 ( -3.578 1.426 -1.239) 4.047 2.186 ( 1.411 -0.346 -3.447) 3.741 2.889 ( -4.732 -0.757 0.034) 4.792 3.002 ( -4.706 0.890 -4.048) 6.271 3.135 ( -2.805 -0.911 -1.161) 3.170 3.227 ( -2.268 -1.140 -2.091) 3.288 3.253 ( 1.490 -1.273 11.035) 11.208 3.303 ( 1.866 -0.117 12.314) 12.455 3.511 ( -2.722 0.328 1.582) 3.165 3.539 ( -3.240 -0.933 0.901) 3.490 3.626 ( -0.120 0.483 5.535) 5.557 3.746 ( 3.732 -0.489 2.393) 4.460 3.949 ( -2.019 -1.807 -4.254) 5.044 4.018 ( -1.371 -0.015 -6.227) 6.376 4.215 ( -3.486 0.503 -2.043) 4.072 4.330 ( -2.779 2.405 -4.350) 5.695 4.929 ( -4.599 -0.303 -3.030) 5.515 4.943 ( -5.578 -0.193 -3.455) 6.565 9.119 ( -9.614 1.212 -0.539) 9.705 9.202 ( -6.174 -1.731 -3.733) 7.419 9.771 ( 9.863 0.412 -1.224) 9.947 9.905 ( 9.913 -0.868 -4.797) 11.047 10.161 ( 3.575 -0.392 4.826) 6.019 10.207 ( 3.694 0.458 3.327) 4.993 ======================= Grid point 334 (110/172) ======================= q-point: (-0.42 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -0.042 -0.176 4.201) 4.205 0.918 ( -1.339 -0.359 4.040) 4.271 1.082 ( -8.896 -0.509 5.450) 10.445 1.204 ( -1.270 -4.980 4.402) 6.766 1.336 ( -5.498 1.138 9.138) 10.725 1.467 ( -5.176 0.818 0.225) 5.245 1.502 ( -4.126 -1.403 3.209) 5.412 1.586 ( -4.622 1.742 -2.414) 5.498 1.636 ( -4.923 -1.403 -1.304) 5.283 1.699 ( -5.897 -0.818 2.403) 6.420 1.727 ( -5.433 2.551 0.253) 6.008 1.825 ( -1.727 1.328 -1.105) 2.443 1.930 ( -4.062 4.260 1.019) 5.973 2.222 ( 2.037 -0.011 -3.357) 3.926 2.826 ( -1.766 -0.089 -0.609) 1.870 2.917 ( -3.224 1.717 -3.961) 5.388 3.024 ( -8.533 -0.573 -1.465) 8.677 3.106 ( -9.529 -1.380 -3.383) 10.206 3.281 ( 0.134 -0.860 9.343) 9.383 3.355 ( 1.233 -0.404 8.945) 9.039 3.409 ( -5.780 -3.044 4.223) 7.778 3.451 ( -5.196 -2.256 2.615) 6.239 3.658 ( 2.493 1.834 5.849) 6.618 3.830 ( 3.417 1.206 3.574) 5.090 3.894 ( -5.599 -3.423 -2.277) 6.946 4.046 ( 2.353 1.721 -5.602) 6.315 4.093 ( -4.318 0.582 -4.182) 6.040 4.204 ( -7.004 1.408 -5.318) 8.906 4.880 ( 0.219 0.710 -3.224) 3.308 4.931 ( 3.078 -0.492 -4.656) 5.603 8.887 ( -13.259 2.211 0.027) 13.442 9.045 ( -11.024 -3.195 -6.067) 12.982 9.955 ( 8.196 0.392 -0.758) 8.240 10.091 ( 7.596 -2.812 -3.585) 8.858 10.270 ( 8.033 1.348 5.035) 9.576 10.329 ( 8.933 0.742 3.152) 9.502 ======================= Grid point 335 (111/172) ======================= q-point: (-0.33 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -8.671 0.384 6.411) 10.790 0.879 ( -2.922 2.010 6.615) 7.506 0.942 ( -3.626 -0.266 4.397) 5.706 1.195 ( -1.041 0.604 5.831) 5.954 1.221 ( -4.728 -4.797 6.799) 9.571 1.382 ( -4.436 -1.235 -0.719) 4.660 1.439 ( -4.905 2.841 3.608) 6.719 1.476 ( -5.856 1.173 -2.341) 6.415 1.502 ( -7.343 -1.836 0.836) 7.615 1.538 ( -7.923 2.597 2.936) 8.839 1.664 ( -0.001 0.817 2.436) 2.570 1.767 ( -1.957 1.069 3.964) 4.548 1.898 ( 1.007 -1.167 0.036) 1.542 2.264 ( 2.367 1.273 -4.443) 5.193 2.777 ( -10.560 0.596 -2.231) 10.810 2.783 ( -7.807 0.100 -2.446) 8.182 2.898 ( -0.531 3.210 -2.994) 4.422 2.919 ( -6.108 -0.270 -4.087) 7.354 3.206 ( -7.687 -1.134 2.923) 8.302 3.243 ( -7.510 -0.964 2.245) 7.898 3.395 ( 0.415 -0.968 9.508) 9.567 3.442 ( 1.171 -4.016 9.037) 9.958 3.630 ( -9.819 0.889 0.700) 9.884 3.730 ( -0.795 -0.137 4.813) 4.880 3.917 ( -4.806 1.053 0.894) 5.000 3.952 ( 0.829 2.289 -2.875) 3.767 4.122 ( 3.324 -2.251 -7.945) 8.901 4.212 ( 5.884 1.205 -4.845) 7.717 4.914 ( 2.989 1.644 -2.227) 4.074 5.024 ( 5.319 -0.361 -5.019) 7.322 8.582 ( -15.858 2.063 0.236) 15.993 8.771 ( -17.807 -3.956 -8.227) 20.010 10.089 ( 5.220 -1.429 1.345) 5.577 10.224 ( 4.732 -4.576 0.750) 6.625 10.476 ( 12.632 4.898 0.814) 13.573 10.540 ( 11.913 1.191 2.027) 12.143 ======================= Grid point 336 (112/172) ======================= q-point: (-0.25 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -6.868 4.926 10.493) 13.474 0.758 ( -6.430 7.093 9.908) 13.778 0.922 ( -0.283 -3.502 3.282) 4.808 1.161 ( -1.851 2.754 4.616) 5.684 1.202 ( -1.277 -4.581 2.633) 5.436 1.231 ( -6.305 5.545 11.764) 14.453 1.304 ( -5.488 0.361 -3.975) 6.785 1.356 ( -3.869 -0.432 0.201) 3.898 1.381 ( -4.277 -0.392 -1.095) 4.433 1.487 ( -0.810 -1.571 0.586) 1.862 1.684 ( 1.961 1.566 6.332) 6.811 1.769 ( 1.457 -3.932 4.218) 5.948 1.961 ( 3.517 -6.457 1.819) 7.575 2.303 ( 2.057 2.671 -5.878) 6.776 2.521 ( -11.504 0.115 -1.239) 11.571 2.584 ( -10.549 -1.204 -3.813) 11.281 2.892 ( 1.390 3.901 -4.247) 5.932 2.906 ( 2.287 6.597 -3.752) 7.927 3.057 ( -6.809 -1.180 2.378) 7.308 3.107 ( -5.514 0.459 1.443) 5.718 3.413 ( -0.630 -0.671 7.782) 7.837 3.424 ( -4.670 -0.921 2.125) 5.213 3.432 ( -5.943 -0.168 1.841) 6.224 3.749 ( 0.767 -3.569 4.894) 6.106 3.796 ( -2.958 -0.640 -0.479) 3.064 4.024 ( 3.506 1.524 4.230) 5.701 4.208 ( 3.775 -1.249 -9.348) 10.158 4.315 ( 4.420 3.257 -5.262) 7.605 4.969 ( 2.903 2.391 -1.116) 3.923 5.123 ( 3.982 -0.470 -5.038) 6.439 8.285 ( -11.839 0.720 0.165) 11.862 8.390 ( -19.650 -2.335 -5.699) 20.593 10.178 ( 2.813 -3.194 3.172) 5.308 10.324 ( 3.200 -6.379 3.435) 7.920 10.673 ( 7.957 5.918 -3.801) 10.620 10.778 ( 11.684 3.182 -0.728) 12.131 ======================= Grid point 337 (113/172) ======================= q-point: (-0.17 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 0.000 8.718 11.615) 14.523 0.641 ( 0.000 7.265 12.886) 14.792 0.935 ( -0.000 -3.834 4.999) 6.301 1.068 ( 0.000 10.923 14.493) 18.148 1.194 ( -0.000 -5.190 2.037) 5.575 1.221 ( -0.000 -1.881 3.523) 3.994 1.236 ( 0.000 0.948 -6.464) 6.533 1.331 ( -0.000 -0.808 -1.773) 1.948 1.337 ( -0.000 -1.447 -0.846) 1.676 1.484 ( -0.000 -1.171 0.172) 1.183 1.709 ( -0.000 -0.179 4.701) 4.705 1.817 ( -0.000 -6.098 6.090) 8.619 2.042 ( -0.000 -8.295 1.367) 8.407 2.316 ( 0.000 3.065 -6.773) 7.434 2.382 ( 0.000 1.480 -0.399) 1.532 2.463 ( -0.000 -0.287 -3.084) 3.097 2.899 ( 0.000 4.812 -5.373) 7.213 2.912 ( 0.000 8.913 -4.884) 10.163 2.973 ( -0.000 -0.412 3.625) 3.648 3.048 ( 0.000 0.066 1.372) 1.373 3.343 ( -0.000 -0.540 -0.851) 1.008 3.362 ( 0.000 0.514 -1.168) 1.276 3.427 ( -0.000 -0.805 9.129) 9.165 3.767 ( 0.000 1.940 3.652) 4.135 3.793 ( -0.000 -10.403 4.323) 11.266 4.056 ( 0.000 2.699 3.758) 4.627 4.252 ( -0.000 -0.580 -9.778) 9.795 4.347 ( 0.000 4.456 -6.201) 7.637 4.994 ( 0.000 2.350 -0.659) 2.441 5.167 ( -0.000 -0.432 -5.093) 5.111 8.154 ( 0.000 0.002 0.137) 0.137 8.158 ( -0.000 -0.049 0.023) 0.054 10.220 ( -0.000 -3.624 3.921) 5.339 10.385 ( -0.000 -7.702 4.431) 8.885 10.732 ( 0.000 6.311 -5.679) 8.490 10.902 ( 0.000 3.459 -4.951) 6.040 ======================= Grid point 342 (114/172) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 0.720 -0.000 3.365) 3.441 0.837 ( -0.886 0.000 2.846) 2.981 1.293 ( -1.874 0.000 1.437) 2.362 1.331 ( 1.082 -0.000 0.022) 1.083 1.554 ( 0.141 -0.000 10.900) 10.901 1.639 ( 2.728 -0.000 1.837) 3.288 1.751 ( 1.123 -0.000 -0.135) 1.131 1.771 ( 1.216 -0.000 2.082) 2.411 1.800 ( -2.400 0.000 -0.293) 2.418 1.826 ( -1.029 0.000 2.596) 2.793 1.857 ( 1.168 -0.000 1.157) 1.644 1.944 ( -0.817 0.000 -1.999) 2.159 2.101 ( -1.503 0.000 -5.871) 6.060 2.164 ( 0.117 -0.000 -4.641) 4.643 3.080 ( -0.220 0.000 0.361) 0.423 3.110 ( -0.588 0.000 -0.722) 0.931 3.151 ( 2.835 -0.000 -2.180) 3.576 3.181 ( -3.122 0.000 -2.664) 4.105 3.216 ( -0.723 0.000 15.326) 15.343 3.265 ( 0.428 -0.000 12.779) 12.786 3.479 ( 0.601 -0.000 2.395) 2.469 3.601 ( -0.487 0.000 -1.515) 1.591 3.681 ( 0.428 -0.000 4.096) 4.118 3.698 ( -0.625 0.000 3.512) 3.568 4.045 ( 1.035 -0.000 -0.020) 1.035 4.159 ( -0.869 0.000 -5.957) 6.020 4.168 ( -4.297 0.000 -5.645) 7.094 4.256 ( 4.534 -0.000 -5.723) 7.301 5.127 ( -0.394 0.000 -1.068) 1.138 5.152 ( 0.117 -0.000 -1.759) 1.763 9.383 ( -2.294 0.000 -2.031) 3.064 9.409 ( 3.118 -0.000 -2.877) 4.243 9.507 ( -6.657 0.000 -0.567) 6.681 9.534 ( 5.501 -0.000 -1.253) 5.642 10.102 ( -0.142 0.000 3.942) 3.945 10.153 ( 0.028 -0.000 2.207) 2.207 ======================= Grid point 343 (115/172) ======================= q-point: (-0.67 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 0.824 -0.042 2.858) 2.974 0.867 ( 2.299 -0.018 3.457) 4.151 1.252 ( -2.292 -0.329 1.635) 2.835 1.318 ( -2.623 -0.093 -0.567) 2.685 1.523 ( -3.104 0.088 10.080) 10.548 1.693 ( -0.942 0.772 -0.420) 1.288 1.710 ( -3.693 0.401 0.504) 3.749 1.721 ( -0.640 0.823 0.810) 1.321 1.787 ( -3.731 0.167 1.000) 3.866 1.791 ( -1.292 -1.623 1.105) 2.350 1.855 ( -0.907 0.010 1.332) 1.612 1.909 ( -2.497 0.239 -0.522) 2.562 2.072 ( -1.307 -0.366 -4.393) 4.598 2.167 ( 0.319 -0.048 -4.365) 4.377 2.994 ( -5.654 -0.124 -0.080) 5.656 3.102 ( -4.267 0.383 -3.888) 5.785 3.140 ( 1.000 -0.328 -0.515) 1.172 3.205 ( 2.017 -0.399 -1.709) 2.673 3.220 ( 0.878 -0.184 13.983) 14.011 3.283 ( 1.125 0.102 11.585) 11.640 3.507 ( 2.038 0.326 1.526) 2.566 3.584 ( -1.509 -0.150 -0.443) 1.580 3.665 ( -2.488 -0.021 3.796) 4.539 3.693 ( 1.095 -0.186 3.031) 3.228 4.000 ( -3.679 0.009 -2.252) 4.314 4.077 ( -4.362 -0.382 -6.287) 7.662 4.207 ( 3.349 -0.003 -3.883) 5.128 4.336 ( 2.967 0.546 -5.112) 5.936 5.051 ( -6.504 -0.145 -1.538) 6.685 5.083 ( -6.480 0.038 -2.455) 6.930 9.295 ( -5.728 0.377 -2.171) 6.138 9.301 ( -7.322 -0.501 -1.952) 7.594 9.586 ( 8.429 -0.023 -0.909) 8.478 9.705 ( 9.706 0.026 -3.756) 10.407 10.112 ( 1.268 -0.066 4.056) 4.250 10.164 ( 1.232 0.030 2.416) 2.711 ======================= Grid point 344 (116/172) ======================= q-point: (-0.58 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 1.499 -0.186 3.677) 3.975 0.912 ( 1.731 0.043 4.059) 4.413 1.201 ( -3.337 -1.755 2.583) 4.570 1.232 ( -5.634 -0.500 2.466) 6.170 1.440 ( -4.571 0.482 8.358) 9.539 1.593 ( -6.421 -0.673 -0.526) 6.477 1.608 ( -5.420 1.274 2.569) 6.132 1.690 ( -4.854 -0.363 -1.946) 5.242 1.712 ( -3.544 2.302 -0.746) 4.292 1.791 ( -0.205 -1.368 1.007) 1.711 1.816 ( -3.028 1.386 2.127) 3.951 1.848 ( -2.574 -0.857 -1.723) 3.214 2.039 ( -2.429 0.876 -1.520) 2.996 2.184 ( 1.369 -0.216 -3.613) 3.870 2.885 ( -4.735 -0.420 -0.075) 4.754 3.008 ( -4.624 0.588 -4.396) 6.408 3.130 ( -2.771 -0.569 -1.535) 3.218 3.219 ( -2.239 -0.960 -3.852) 4.558 3.246 ( 1.533 -0.614 12.479) 12.588 3.302 ( 1.424 -0.011 12.312) 12.394 3.514 ( -3.266 0.404 1.108) 3.472 3.532 ( -3.767 -0.817 1.225) 4.045 3.632 ( 0.777 0.726 5.235) 5.342 3.741 ( 3.632 -0.651 2.340) 4.369 3.938 ( -2.567 -1.019 -3.869) 4.754 4.018 ( -0.791 0.105 -6.418) 6.467 4.218 ( -3.428 0.291 -2.047) 4.003 4.343 ( -2.725 1.295 -4.586) 5.489 4.927 ( -4.236 -0.173 -3.170) 5.293 4.942 ( -5.882 -0.118 -3.551) 6.872 9.127 ( -9.238 0.947 -0.843) 9.325 9.191 ( -6.593 -1.247 -3.371) 7.509 9.773 ( 10.021 0.263 -1.771) 10.180 9.900 ( 9.520 -0.524 -5.021) 10.776 10.159 ( 3.649 -0.198 4.789) 6.025 10.210 ( 3.809 0.233 3.195) 4.977 ======================= Grid point 345 (117/172) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 0.194 -0.066 4.358) 4.363 0.915 ( -1.948 -0.487 3.960) 4.440 1.086 ( -7.292 1.392 5.771) 9.402 1.166 ( -2.209 -5.120 5.430) 7.783 1.344 ( -5.233 1.062 9.140) 10.586 1.463 ( -6.167 -1.448 1.353) 6.478 1.504 ( -3.757 1.488 2.123) 4.565 1.595 ( -5.024 0.626 -3.536) 6.175 1.628 ( -4.650 -0.756 -1.514) 4.948 1.692 ( -6.768 -0.962 2.582) 7.308 1.744 ( -4.163 2.056 1.166) 4.788 1.833 ( -1.190 0.903 -2.845) 3.213 1.956 ( -4.733 2.921 1.485) 5.757 2.222 ( 2.335 -0.005 -3.261) 4.011 2.827 ( -1.065 0.186 -0.779) 1.332 2.929 ( -2.669 1.574 -4.365) 5.353 3.020 ( -8.311 -0.426 -1.915) 8.540 3.094 ( -10.074 -1.771 -3.928) 10.957 3.275 ( 0.468 -0.704 9.538) 9.576 3.351 ( 2.428 -0.631 10.158) 10.463 3.388 ( -8.240 -2.301 2.755) 8.988 3.440 ( -4.907 -0.780 3.463) 6.056 3.672 ( 2.632 1.945 5.345) 6.268 3.833 ( 4.922 -0.358 4.012) 6.360 3.874 ( -6.508 -1.870 -2.262) 7.139 4.057 ( 3.332 1.434 -5.677) 6.737 4.095 ( -4.681 -0.035 -4.105) 6.226 4.213 ( -8.244 1.116 -5.758) 10.118 4.885 ( 0.470 0.604 -3.408) 3.493 4.927 ( 3.183 -0.447 -4.680) 5.677 8.903 ( -12.953 2.230 -0.537) 13.155 9.022 ( -11.552 -2.948 -4.946) 12.908 9.959 ( 7.994 0.565 -1.409) 8.137 10.073 ( 6.935 -2.197 -3.769) 8.193 10.278 ( 9.027 0.925 4.850) 10.289 10.333 ( 8.925 0.468 2.931) 9.406 ======================= Grid point 346 (118/172) ======================= q-point: (-0.42 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -7.322 0.879 5.666) 9.299 0.885 ( -1.110 -0.174 5.071) 5.194 0.955 ( -4.427 3.685 6.024) 8.335 1.155 ( -1.926 -7.489 5.857) 9.701 1.225 ( -4.858 1.721 10.266) 11.487 1.371 ( -4.020 -1.635 1.371) 4.551 1.453 ( -2.981 0.734 0.552) 3.120 1.477 ( -6.421 -1.343 -0.463) 6.576 1.500 ( -6.575 2.309 -0.113) 6.970 1.563 ( -7.261 2.943 2.789) 8.316 1.673 ( -0.721 2.045 0.152) 2.173 1.775 ( -3.034 1.041 3.820) 4.988 1.883 ( -1.821 -2.873 0.981) 3.540 2.273 ( 2.878 1.090 -3.918) 4.982 2.782 ( -11.697 0.236 -2.436) 11.951 2.789 ( -8.384 1.900 -2.627) 8.989 2.910 ( -2.859 -0.559 -3.660) 4.678 2.922 ( -0.214 1.778 -3.844) 4.241 3.197 ( -8.614 -1.340 2.987) 9.215 3.236 ( -6.359 -0.996 2.548) 6.923 3.389 ( 0.311 -0.759 9.687) 9.722 3.417 ( 1.704 -2.792 9.451) 10.001 3.638 ( -10.939 1.080 0.604) 11.009 3.728 ( -0.436 -0.347 4.338) 4.374 3.924 ( -0.621 0.772 4.110) 4.228 3.967 ( -4.067 1.743 -5.480) 7.043 4.106 ( 3.383 -1.885 -8.106) 8.984 4.220 ( 6.622 0.940 -4.563) 8.097 4.926 ( 3.344 1.510 -2.326) 4.344 5.021 ( 5.268 -0.421 -4.959) 7.247 8.598 ( -16.100 2.479 -0.319) 16.293 8.741 ( -17.814 -4.084 -6.380) 19.357 10.082 ( 4.644 -0.585 1.084) 4.805 10.193 ( 4.393 -3.700 -0.085) 5.744 10.507 ( 13.313 3.677 0.852) 13.838 10.547 ( 12.225 0.687 2.058) 12.416 ======================= Grid point 347 (119/172) ======================= q-point: (-0.33 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -4.712 6.004 8.712) 11.582 0.814 ( -5.062 7.837 8.945) 12.925 0.900 ( -0.798 -2.496 2.436) 3.578 1.130 ( -1.846 -7.601 4.834) 9.195 1.184 ( -0.908 -2.657 6.648) 7.216 1.286 ( -4.959 5.611 2.691) 7.958 1.320 ( -5.863 5.816 5.145) 9.730 1.356 ( -4.922 0.972 1.414) 5.212 1.375 ( -4.493 -1.112 -0.290) 4.637 1.485 ( -0.465 1.237 0.123) 1.327 1.693 ( 2.039 0.296 4.473) 4.925 1.742 ( -0.335 -2.846 4.408) 5.258 1.903 ( 1.272 -9.406 2.721) 9.874 2.323 ( 2.481 2.532 -4.998) 6.127 2.525 ( -11.013 0.869 -1.358) 11.131 2.576 ( -10.424 -1.192 -3.296) 10.998 2.922 ( 2.387 4.225 -4.135) 6.375 2.951 ( 3.101 5.624 -3.969) 7.550 3.048 ( -6.095 -1.336 2.322) 6.658 3.110 ( -5.483 0.310 1.151) 5.612 3.408 ( 0.443 -0.816 9.555) 9.600 3.418 ( -4.226 -0.746 2.253) 4.846 3.430 ( -6.454 -0.315 1.480) 6.629 3.713 ( -2.624 -5.090 3.636) 6.784 3.809 ( -1.923 2.880 -0.282) 3.475 4.025 ( 2.969 -1.059 5.130) 6.021 4.203 ( 4.750 -0.061 -9.735) 10.832 4.336 ( 4.870 2.499 -4.397) 7.021 4.987 ( 3.134 2.510 -1.248) 4.205 5.119 ( 3.906 -0.651 -4.804) 6.226 8.292 ( -12.379 0.987 -0.055) 12.418 8.372 ( -18.525 -2.497 -4.253) 19.170 10.158 ( 2.474 -2.290 3.098) 4.578 10.282 ( 2.781 -5.143 2.368) 6.308 10.710 ( 7.886 4.317 -1.898) 9.189 10.800 ( 12.028 2.718 -1.514) 12.423 ======================= Grid point 348 (120/172) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 0.000 9.359 8.906) 12.920 0.703 ( 0.000 9.530 11.140) 14.660 0.907 ( -0.000 -3.746 3.438) 5.084 1.149 ( -0.000 -7.296 2.752) 7.798 1.156 ( 0.000 10.259 8.951) 13.615 1.198 ( -0.000 -1.133 12.243) 12.295 1.245 ( 0.000 1.323 -6.059) 6.202 1.324 ( -0.000 -1.206 -2.292) 2.590 1.334 ( 0.000 0.178 3.008) 3.014 1.478 ( 0.000 0.046 -0.654) 0.655 1.712 ( 0.000 0.929 5.551) 5.628 1.770 ( -0.000 -6.535 4.764) 8.087 1.968 ( -0.000 -11.866 3.070) 12.257 2.339 ( 0.000 3.325 -5.782) 6.669 2.395 ( 0.000 1.900 -0.629) 2.002 2.460 ( -0.000 -0.537 -2.809) 2.860 2.938 ( 0.000 5.903 -5.341) 7.961 2.970 ( -0.000 -0.464 3.565) 3.595 2.976 ( 0.000 8.418 -5.776) 10.209 3.048 ( 0.000 0.058 1.309) 1.311 3.339 ( -0.000 -0.454 -0.751) 0.877 3.366 ( 0.000 0.425 -1.219) 1.291 3.421 ( -0.000 -0.939 9.605) 9.651 3.716 ( -0.000 -9.674 6.178) 11.478 3.790 ( 0.000 3.110 2.215) 3.818 4.061 ( -0.000 -0.969 4.746) 4.844 4.255 ( 0.000 1.085 -10.488) 10.544 4.376 ( 0.000 3.587 -5.288) 6.389 5.013 ( 0.000 2.804 -0.778) 2.910 5.163 ( -0.000 -0.673 -4.787) 4.834 8.154 ( 0.000 0.006 0.105) 0.105 8.158 ( -0.000 -0.060 0.005) 0.061 10.194 ( -0.000 -3.306 3.853) 5.077 10.333 ( -0.000 -6.449 3.412) 7.296 10.774 ( 0.000 5.229 -3.208) 6.135 10.926 ( 0.000 2.985 -5.183) 5.981 ======================= Grid point 355 (121/172) ======================= q-point: (-0.67 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 1.492 -0.000 3.657) 3.950 0.912 ( 1.744 -0.000 4.064) 4.422 1.195 ( -3.554 0.000 2.594) 4.400 1.231 ( -5.655 0.000 2.478) 6.174 1.442 ( -4.526 0.000 8.383) 9.527 1.590 ( -6.588 0.000 -0.499) 6.607 1.613 ( -5.235 0.000 2.353) 5.739 1.687 ( -4.951 0.000 -2.001) 5.340 1.723 ( -4.664 0.000 -1.248) 4.829 1.785 ( 0.600 -0.000 1.205) 1.346 1.822 ( -2.633 0.000 1.997) 3.305 1.844 ( -2.652 0.000 -1.258) 2.936 2.043 ( -2.013 0.000 -1.619) 2.584 2.183 ( 1.356 -0.000 -3.678) 3.920 2.884 ( -4.734 0.000 -0.114) 4.735 3.010 ( -4.590 0.000 -4.522) 6.444 3.127 ( -2.751 0.000 -1.685) 3.226 3.215 ( -2.234 0.000 -4.253) 4.804 3.244 ( 1.508 -0.000 12.819) 12.907 3.302 ( 1.280 -0.000 12.264) 12.331 3.516 ( -3.441 0.000 0.767) 3.525 3.529 ( -3.957 0.000 1.572) 4.258 3.635 ( 1.125 -0.000 5.065) 5.189 3.738 ( 3.550 -0.000 2.317) 4.239 3.935 ( -2.710 0.000 -3.736) 4.615 4.019 ( -0.624 0.000 -6.491) 6.521 4.219 ( -3.413 0.000 -2.039) 3.975 4.348 ( -2.702 0.000 -4.666) 5.392 4.926 ( -4.103 0.000 -3.221) 5.216 4.941 ( -5.994 0.000 -3.586) 6.984 9.131 ( -9.068 0.000 -0.972) 9.120 9.186 ( -6.778 0.000 -3.224) 7.506 9.774 ( 10.089 -0.000 -1.971) 10.280 9.898 ( 9.366 -0.000 -5.098) 10.664 10.158 ( 3.681 -0.000 4.773) 6.027 10.211 ( 3.845 -0.000 3.148) 4.969 ======================= Grid point 357 (122/172) ======================= q-point: (-0.58 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 0.424 -0.006 4.448) 4.468 0.912 ( -2.463 -0.228 3.923) 4.638 1.102 ( -5.468 2.726 5.622) 8.303 1.132 ( -3.643 -4.007 6.320) 8.323 1.350 ( -5.009 0.417 8.969) 10.282 1.454 ( -6.387 -0.728 2.015) 6.737 1.514 ( -3.909 0.886 1.815) 4.400 1.596 ( -4.876 -0.076 -4.323) 6.516 1.625 ( -4.900 -0.096 -1.630) 5.165 1.687 ( -7.025 -0.419 2.620) 7.510 1.755 ( -3.458 0.774 2.048) 4.093 1.838 ( -1.043 0.316 -4.109) 4.252 1.971 ( -5.163 1.031 1.726) 5.541 2.222 ( 2.511 -0.001 -3.200) 4.068 2.828 ( -0.542 0.129 -0.882) 1.043 2.938 ( -2.152 0.694 -4.559) 5.089 3.018 ( -8.153 -0.127 -2.316) 8.476 3.083 ( -10.679 -0.917 -4.154) 11.496 3.272 ( 0.644 -0.274 9.667) 9.692 3.347 ( 2.728 -0.385 10.902) 11.245 3.378 ( -9.206 -0.650 2.098) 9.465 3.437 ( -4.770 -0.206 3.748) 6.070 3.683 ( 2.713 0.866 5.030) 5.780 3.829 ( 4.993 -0.577 3.713) 6.249 3.866 ( -6.304 -0.405 -1.782) 6.563 4.065 ( 4.379 0.632 -5.749) 7.254 4.094 ( -5.439 -0.165 -3.970) 6.735 4.219 ( -8.872 0.421 -5.997) 10.717 4.888 ( 0.593 0.251 -3.518) 3.577 4.925 ( 3.265 -0.194 -4.689) 5.718 8.916 ( -12.663 1.123 -1.008) 12.752 9.005 ( -11.970 -1.385 -4.164) 12.749 9.962 ( 7.956 0.293 -1.784) 8.159 10.061 ( 6.543 -0.865 -3.869) 7.651 10.283 ( 9.542 0.328 4.744) 10.661 10.336 ( 8.911 0.157 2.804) 9.344 ======================= Grid point 358 (123/172) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -6.089 0.756 4.606) 7.672 0.882 ( -0.780 -0.515 4.228) 4.330 0.989 ( -4.137 5.113 7.167) 9.727 1.102 ( -2.254 -6.722 7.430) 10.270 1.234 ( -5.603 0.736 10.642) 12.049 1.360 ( -3.438 -1.281 4.148) 5.538 1.453 ( -3.718 -0.267 -1.750) 4.118 1.469 ( -7.615 -0.569 -0.798) 7.678 1.522 ( -3.773 3.122 0.861) 4.972 1.572 ( -4.929 -0.282 1.593) 5.187 1.695 ( -1.573 3.613 0.151) 3.944 1.782 ( -3.568 0.762 0.960) 3.773 1.858 ( -5.031 -3.431 3.544) 7.046 2.279 ( 3.237 0.624 -3.538) 4.835 2.783 ( -10.484 0.084 -2.354) 10.745 2.805 ( -12.355 2.202 -3.267) 12.968 2.901 ( -0.347 -1.417 -3.569) 3.856 2.934 ( 1.505 1.126 -4.075) 4.488 3.188 ( -9.185 -0.992 3.260) 9.796 3.230 ( -5.503 -0.550 2.795) 6.197 3.385 ( 0.102 -0.323 9.628) 9.634 3.402 ( 1.903 -1.410 9.822) 10.104 3.644 ( -12.205 0.724 0.396) 12.233 3.725 ( 0.277 -0.297 4.092) 4.112 3.929 ( 3.000 0.478 6.041) 6.762 3.977 ( -8.522 0.861 -6.936) 11.021 4.095 ( 3.899 -1.082 -8.235) 9.176 4.225 ( 7.075 0.515 -4.370) 8.331 4.935 ( 3.617 0.932 -2.396) 4.438 5.018 ( 5.209 -0.311 -4.911) 7.166 8.616 ( -16.296 2.203 -0.976) 16.473 8.714 ( -17.783 -3.114 -4.829) 18.688 10.080 ( 4.277 0.011 0.892) 4.370 10.171 ( 4.214 -2.220 -0.649) 4.807 10.529 ( 13.886 2.338 1.110) 14.125 10.549 ( 12.256 -0.080 1.838) 12.394 ======================= Grid point 359 (124/172) ======================= q-point: (-0.42 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -2.971 5.351 5.910) 8.509 0.862 ( -1.775 3.414 6.639) 7.674 0.895 ( -3.047 3.071 3.751) 5.726 1.072 ( -2.361 -7.826 6.066) 10.179 1.158 ( -2.858 -3.991 8.802) 10.079 1.307 ( -2.941 1.877 -1.098) 3.658 1.340 ( -3.775 -0.215 5.092) 6.342 1.357 ( -4.303 -2.071 0.145) 4.778 1.416 ( -5.956 11.184 5.366) 13.760 1.503 ( -0.381 3.444 1.660) 3.842 1.686 ( 1.150 -1.620 1.304) 2.376 1.733 ( -1.141 -0.070 6.294) 6.397 1.827 ( -0.990 -11.189 3.409) 11.739 2.339 ( 2.801 1.766 -4.310) 5.435 2.533 ( -10.689 1.410 -1.635) 10.904 2.567 ( -10.380 -1.316 -2.832) 10.840 2.952 ( 3.301 3.736 -4.149) 6.486 2.985 ( 3.626 3.597 -4.068) 6.529 3.038 ( -5.472 -1.406 2.425) 6.148 3.112 ( -5.336 0.131 0.913) 5.415 3.402 ( 0.803 -0.686 10.300) 10.354 3.413 ( -2.753 -0.451 3.774) 4.693 3.428 ( -7.446 -0.342 0.727) 7.489 3.682 ( -4.898 -3.374 3.052) 6.685 3.831 ( -1.660 2.827 -1.122) 3.465 4.013 ( 2.469 -2.045 6.044) 6.841 4.205 ( 5.611 0.423 -9.709) 11.221 4.350 ( 5.083 1.492 -3.624) 6.418 5.004 ( 3.354 1.986 -1.371) 4.132 5.114 ( 3.809 -0.661 -4.572) 5.988 8.299 ( -13.033 1.141 -0.361) 13.088 8.354 ( -17.373 -2.185 -3.013) 17.768 10.145 ( 2.198 -1.066 2.971) 3.846 10.250 ( 2.540 -3.532 1.555) 4.619 10.735 ( 7.983 2.674 -0.184) 8.421 10.816 ( 12.073 1.672 -2.278) 12.399 ======================= Grid point 360 (125/172) ======================= q-point: (-0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 0.000 8.315 5.785) 10.130 0.778 ( 0.000 10.797 9.330) 14.269 0.883 ( -0.000 -2.855 2.862) 4.043 1.089 ( -0.000 -8.987 3.644) 9.698 1.140 ( -0.000 -6.235 7.073) 9.429 1.255 ( 0.000 1.548 -5.465) 5.680 1.284 ( 0.000 16.173 14.545) 21.751 1.314 ( -0.000 -1.473 -2.953) 3.300 1.333 ( -0.000 -0.598 8.519) 8.540 1.490 ( 0.000 2.981 -0.886) 3.110 1.717 ( -0.000 -1.674 4.125) 4.452 1.726 ( -0.000 -3.349 5.395) 6.350 1.873 ( -0.000 -14.049 4.362) 14.711 2.362 ( 0.000 2.671 -4.912) 5.591 2.409 ( 0.000 2.042 -0.928) 2.243 2.455 ( -0.000 -0.873 -2.460) 2.610 2.967 ( -0.000 -0.393 3.507) 3.529 2.982 ( 0.000 5.725 -5.450) 7.905 3.030 ( 0.000 5.992 -5.955) 8.447 3.049 ( 0.000 0.036 1.243) 1.243 3.336 ( -0.000 -0.323 -0.667) 0.741 3.368 ( 0.000 0.299 -1.253) 1.288 3.414 ( -0.000 -0.838 10.064) 10.099 3.652 ( -0.000 -7.544 7.352) 10.534 3.813 ( 0.000 3.145 1.199) 3.366 4.047 ( -0.000 -2.563 5.582) 6.142 4.265 ( 0.000 1.624 -10.641) 10.764 4.398 ( 0.000 2.209 -4.129) 4.683 5.033 ( 0.000 2.599 -0.918) 2.756 5.158 ( -0.000 -0.822 -4.427) 4.502 8.154 ( 0.000 0.010 0.073) 0.074 8.157 ( -0.000 -0.057 -0.012) 0.059 10.174 ( -0.000 -2.049 3.738) 4.263 10.292 ( -0.000 -4.773 2.513) 5.394 10.807 ( 0.000 3.832 -1.165) 4.005 10.944 ( 0.000 1.836 -5.193) 5.508 ======================= Grid point 369 (126/172) ======================= q-point: (-0.58 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -5.584 0.000 4.086) 6.920 0.880 ( -0.755 0.000 4.046) 4.116 1.016 ( -4.238 0.000 7.283) 8.426 1.069 ( -2.015 0.000 8.262) 8.504 1.236 ( -6.044 0.000 10.587) 12.191 1.355 ( -3.166 0.000 5.409) 6.268 1.452 ( -4.369 0.000 -2.555) 5.061 1.467 ( -7.632 0.000 -1.106) 7.712 1.536 ( -2.360 0.000 2.573) 3.491 1.568 ( -4.599 0.000 -0.380) 4.615 1.712 ( -0.971 0.000 1.496) 1.784 1.785 ( -3.656 0.000 -3.396) 4.989 1.843 ( -7.124 0.000 6.763) 9.823 2.282 ( 3.365 -0.000 -3.399) 4.783 2.783 ( -10.332 0.000 -2.323) 10.590 2.814 ( -14.722 0.000 -3.658) 15.169 2.895 ( 2.137 -0.000 -3.361) 3.983 2.938 ( 1.804 -0.000 -4.197) 4.568 3.184 ( -9.331 0.000 3.422) 9.938 3.228 ( -5.240 0.000 2.875) 5.977 3.384 ( -0.085 0.000 9.501) 9.502 3.397 ( 2.028 -0.000 10.030) 10.233 3.647 ( -12.794 0.000 0.295) 12.797 3.724 ( 0.661 -0.000 4.024) 4.078 3.930 ( 4.517 -0.000 6.758) 8.129 3.980 ( -10.465 0.000 -7.476) 12.862 4.091 ( 4.239 -0.000 -8.282) 9.304 4.227 ( 7.225 -0.000 -4.301) 8.409 4.938 ( 3.722 -0.000 -2.421) 4.440 5.017 ( 5.181 -0.000 -4.894) 7.127 8.626 ( -16.357 0.000 -1.365) 16.414 8.701 ( -17.780 0.000 -4.122) 18.251 10.080 ( 4.150 -0.000 0.839) 4.234 10.163 ( 4.162 -0.000 -0.866) 4.251 10.539 ( 15.017 -0.000 1.457) 15.087 10.547 ( 11.327 -0.000 1.505) 11.426 ======================= Grid point 371 (127/172) ======================= q-point: (-0.50 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -1.901 2.287 3.379) 4.502 0.866 ( -0.502 -0.313 3.245) 3.299 0.937 ( -2.837 5.647 7.253) 9.620 1.021 ( -3.515 -5.621 6.334) 9.169 1.133 ( -4.132 -2.058 10.239) 11.231 1.320 ( -1.463 1.478 4.653) 5.097 1.337 ( -4.391 -0.459 2.461) 5.055 1.343 ( -4.614 -1.506 -2.871) 5.639 1.482 ( -3.306 5.504 3.172) 7.161 1.526 ( 0.057 2.131 4.695) 5.157 1.686 ( -1.288 2.764 2.198) 3.759 1.734 ( -0.677 -0.425 5.003) 5.066 1.748 ( -2.890 -8.903 4.142) 10.235 2.347 ( 2.966 0.628 -3.939) 4.971 2.544 ( -10.553 1.475 -2.030) 10.847 2.557 ( -10.363 -1.386 -2.371) 10.720 2.973 ( 4.068 1.797 -4.524) 6.344 3.003 ( 4.137 1.175 -4.371) 6.132 3.029 ( -5.553 -0.839 3.078) 6.404 3.112 ( -5.230 0.020 0.810) 5.293 3.398 ( 0.855 -0.261 10.534) 10.572 3.411 ( -1.404 -0.157 5.288) 5.473 3.426 ( -8.399 -0.151 -0.051) 8.400 3.665 ( -6.095 -1.157 2.772) 6.795 3.846 ( -1.680 1.243 -2.111) 2.971 4.000 ( 2.277 -1.050 6.913) 7.354 4.208 ( 6.078 0.221 -9.617) 11.378 4.358 ( 5.139 0.484 -3.157) 6.051 5.014 ( 3.501 0.782 -1.445) 3.868 5.110 ( 3.730 -0.304 -4.426) 5.796 8.307 ( -13.611 0.713 -0.690) 13.647 8.342 ( -16.513 -1.083 -2.192) 16.693 10.141 ( 2.043 -0.236 2.905) 3.559 10.232 ( 2.440 -1.310 1.089) 2.975 10.749 ( 8.095 0.918 0.838) 8.190 10.824 ( 12.015 0.543 -2.750) 12.337 ======================= Grid point 372 (128/172) ======================= q-point: (-0.42 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 0.000 5.354 2.625) 5.963 0.858 ( 0.000 11.186 7.656) 13.555 0.866 ( -0.000 -1.552 2.959) 3.341 1.019 ( -0.000 -10.189 4.717) 11.228 1.098 ( -0.000 -4.519 9.329) 10.366 1.266 ( 0.000 1.429 -4.728) 4.940 1.303 ( -0.000 -1.393 -3.729) 3.981 1.325 ( -0.000 -0.802 11.860) 11.887 1.401 ( 0.000 14.329 10.525) 17.779 1.516 ( 0.000 3.570 2.148) 4.166 1.683 ( -0.000 -4.181 3.906) 5.722 1.728 ( 0.000 0.409 6.631) 6.644 1.771 ( -0.000 -13.046 3.371) 13.475 2.377 ( 0.000 1.460 -4.349) 4.587 2.424 ( 0.000 1.926 -1.281) 2.313 2.448 ( -0.000 -1.256 -2.069) 2.420 2.965 ( -0.000 -0.224 3.466) 3.473 3.017 ( 0.000 3.816 -5.724) 6.879 3.049 ( 0.000 0.015 1.192) 1.192 3.062 ( 0.000 2.849 -5.807) 6.469 3.334 ( -0.000 -0.167 -0.610) 0.633 3.370 ( 0.000 0.154 -1.273) 1.282 3.409 ( -0.000 -0.502 10.400) 10.412 3.609 ( -0.000 -4.259 8.378) 9.398 3.833 ( 0.000 2.138 0.090) 2.139 4.029 ( -0.000 -2.073 6.451) 6.776 4.276 ( 0.000 1.106 -10.722) 10.779 4.409 ( 0.000 0.955 -3.085) 3.230 5.049 ( 0.000 1.646 -1.042) 1.948 5.152 ( -0.000 -0.646 -4.122) 4.173 8.154 ( 0.000 0.009 0.048) 0.049 8.157 ( -0.000 -0.036 -0.024) 0.044 10.164 ( -0.000 -0.795 3.633) 3.719 10.265 ( -0.000 -2.660 1.877) 3.256 10.829 ( 0.000 2.084 0.231) 2.097 10.953 ( 0.000 0.771 -5.160) 5.218 ======================= Grid point 384 (129/172) ======================= q-point: ( 0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -0.000 -0.000 1.008) 1.008 0.861 ( 0.000 0.000 3.195) 3.195 0.931 ( 0.000 0.000 6.662) 6.662 0.950 ( -0.000 -0.000 5.505) 5.505 1.081 ( -0.000 -0.000 10.354) 10.354 1.273 ( 0.000 0.000 -4.152) 4.152 1.297 ( -0.000 -0.000 -4.319) 4.319 1.322 ( -0.000 -0.000 12.562) 12.562 1.464 ( -0.000 -0.000 5.563) 5.563 1.531 ( 0.000 0.000 7.462) 7.462 1.670 ( 0.000 0.000 10.808) 10.808 1.705 ( 0.000 0.000 -1.755) 1.755 1.734 ( -0.000 -0.000 4.691) 4.691 2.382 ( 0.000 0.000 -4.156) 4.156 2.435 ( 0.000 0.000 -1.652) 1.652 2.438 ( -0.000 -0.000 -1.682) 1.682 2.964 ( 0.000 0.000 3.451) 3.451 3.032 ( -0.000 -0.000 -5.921) 5.921 3.049 ( 0.000 0.000 1.173) 1.173 3.072 ( 0.000 0.000 -5.679) 5.679 3.334 ( 0.000 0.000 -0.591) 0.591 3.370 ( 0.000 0.000 -1.279) 1.279 3.407 ( 0.000 0.000 10.525) 10.525 3.593 ( -0.000 -0.000 8.810) 8.810 3.842 ( -0.000 -0.000 -0.468) 0.468 4.021 ( 0.000 0.000 6.919) 6.919 4.280 ( 0.000 0.000 -10.780) 10.780 4.412 ( -0.000 -0.000 -2.654) 2.654 5.056 ( 0.000 0.000 -1.095) 1.095 5.150 ( 0.000 0.000 -4.001) 4.001 8.154 ( -0.000 -0.000 0.039) 0.039 8.157 ( 0.000 0.000 -0.028) 0.028 10.161 ( 0.000 0.000 3.602) 3.602 10.255 ( -0.000 -0.000 1.638) 1.638 10.837 ( 0.000 0.000 0.743) 0.743 10.956 ( -0.000 -0.000 -5.159) 5.159 ======================= Grid point 453 (130/172) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 0.000 0.000 15.028) 15.028 0.845 ( 0.000 0.000 12.944) 12.944 0.992 ( 0.000 0.000 -11.738) 11.738 1.064 ( 0.000 0.000 -10.385) 10.385 1.095 ( 0.000 0.000 5.284) 5.284 1.161 ( 0.000 0.000 -1.179) 1.179 1.270 ( 0.000 0.000 2.042) 2.042 1.307 ( 0.000 0.000 -1.827) 1.827 1.441 ( 0.000 0.000 4.800) 4.800 1.488 ( 0.000 0.000 -0.896) 0.896 1.828 ( 0.000 0.000 10.304) 10.304 2.009 ( 0.000 0.000 6.780) 6.780 2.034 ( 0.000 0.000 -8.239) 8.239 2.130 ( 0.000 0.000 -7.543) 7.543 2.378 ( 0.000 0.000 1.035) 1.035 2.410 ( 0.000 0.000 -2.430) 2.430 2.790 ( 0.000 0.000 -1.318) 1.318 2.793 ( 0.000 0.000 -1.854) 1.854 3.036 ( 0.000 0.000 2.442) 2.442 3.061 ( 0.000 0.000 -0.167) 0.167 3.334 ( 0.000 0.000 -0.367) 0.367 3.338 ( 0.000 0.000 -0.713) 0.713 3.607 ( 0.000 0.000 9.188) 9.188 3.744 ( 0.000 0.000 -4.539) 4.539 3.999 ( 0.000 0.000 5.138) 5.138 4.063 ( 0.000 0.000 5.120) 5.120 4.124 ( 0.000 0.000 -7.753) 7.753 4.169 ( 0.000 0.000 -5.940) 5.940 4.992 ( 0.000 0.000 2.542) 2.542 5.068 ( 0.000 0.000 -5.212) 5.212 8.157 ( 0.000 0.000 0.125) 0.125 8.159 ( 0.000 0.000 -0.031) 0.031 10.337 ( 0.000 0.000 5.671) 5.671 10.474 ( 0.000 0.000 -8.962) 8.962 10.622 ( 0.000 0.000 8.379) 8.379 10.766 ( 0.000 0.000 -6.778) 6.778 ======================= Grid point 454 (131/172) ======================= q-point: ( 0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 5.622 -0.213 11.821) 13.091 0.903 ( 3.983 -1.005 9.910) 10.728 0.999 ( 2.048 5.559 -5.976) 8.415 1.066 ( 0.408 -5.976 -3.085) 6.737 1.184 ( 6.946 0.027 -2.574) 7.408 1.208 ( 4.922 -3.810 -2.556) 6.729 1.309 ( 3.519 0.680 2.190) 4.200 1.349 ( 3.798 0.433 -2.060) 4.342 1.453 ( 2.053 0.754 4.654) 5.142 1.502 ( 1.938 0.498 -1.214) 2.340 1.835 ( 0.724 -0.247 11.392) 11.417 1.938 ( -5.179 3.040 6.088) 8.551 2.000 ( -4.612 -0.882 -2.468) 5.305 2.100 ( -1.140 -1.459 -10.769) 10.927 2.508 ( 11.219 0.064 -0.096) 11.219 2.530 ( 10.756 0.109 -2.522) 11.049 2.791 ( 0.129 -1.544 -1.018) 1.854 2.796 ( 0.458 -1.173 -1.680) 2.099 3.112 ( 6.827 0.276 1.714) 7.044 3.125 ( 5.860 0.014 0.413) 5.875 3.421 ( 8.205 -0.018 0.149) 8.206 3.433 ( 8.711 -0.174 -0.901) 8.759 3.602 ( -0.519 0.005 9.248) 9.263 3.739 ( -0.555 -0.215 -4.576) 4.615 3.947 ( -3.685 3.776 6.007) 7.995 4.052 ( -1.989 -3.363 4.651) 6.074 4.083 ( -3.084 2.926 -7.839) 8.917 4.151 ( -2.558 -3.276 -5.572) 6.951 4.955 ( -3.395 -0.440 2.214) 4.077 5.026 ( -3.885 -0.137 -5.058) 6.379 8.291 ( 12.294 -0.056 1.044) 12.339 8.324 ( 14.953 0.082 -2.715) 15.197 10.289 ( -4.414 1.448 4.968) 6.802 10.407 ( -5.605 3.640 -7.309) 9.904 10.578 ( -4.939 -3.707 6.907) 9.265 10.693 ( -6.930 -1.389 -4.792) 8.539 ======================= Grid point 455 (132/172) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 4.506 0.754 4.934) 6.725 0.952 ( 1.014 -0.004 1.999) 2.242 1.060 ( 6.037 2.732 4.605) 8.070 1.141 ( 4.637 -5.815 -2.435) 7.826 1.329 ( 7.477 -0.406 0.756) 7.526 1.379 ( 8.013 -3.952 -3.810) 9.713 1.392 ( 5.624 1.375 1.774) 6.055 1.436 ( 5.038 0.046 -2.060) 5.443 1.534 ( 6.168 1.427 3.201) 7.094 1.572 ( 5.223 1.701 -1.137) 5.610 1.799 ( -5.039 1.450 5.777) 7.802 1.868 ( -2.905 1.747 1.814) 3.845 1.901 ( -1.006 -3.239 7.617) 8.338 2.106 ( 0.623 -1.454 -9.891) 10.017 2.748 ( 9.243 0.215 -0.947) 9.294 2.753 ( 8.221 0.776 -1.337) 8.365 2.831 ( 5.571 -1.610 0.250) 5.804 2.855 ( 7.660 -0.554 -2.393) 8.045 3.266 ( 8.023 0.712 1.700) 8.232 3.277 ( 8.852 0.323 0.530) 8.874 3.587 ( -0.710 0.152 9.289) 9.318 3.616 ( 7.096 1.766 2.843) 7.846 3.634 ( 10.419 -0.697 0.938) 10.484 3.740 ( 2.297 -0.857 -6.513) 6.959 3.856 ( -3.689 0.446 5.675) 6.783 3.996 ( -4.341 1.452 -8.476) 9.633 4.015 ( -1.795 -0.954 4.443) 4.886 4.097 ( -2.964 -1.267 -4.671) 5.675 4.881 ( -3.654 -0.508 0.970) 3.815 4.934 ( -4.831 -0.102 -4.381) 6.523 8.590 ( 16.095 -0.314 2.474) 16.287 8.663 ( 17.133 0.275 -5.575) 18.019 10.161 ( -7.510 1.768 3.649) 8.535 10.248 ( -8.579 3.128 -5.295) 10.556 10.464 ( -7.211 -2.827 5.026) 9.233 10.530 ( -9.176 -1.316 -1.633) 9.413 ======================= Grid point 456 (133/172) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 0.129 -0.035 2.331) 2.335 0.966 ( 0.371 -0.032 0.705) 0.798 1.198 ( 7.155 1.501 4.166) 8.414 1.255 ( 4.472 -0.529 -1.470) 4.737 1.456 ( 4.567 -0.958 4.625) 6.570 1.490 ( 5.631 -0.697 3.240) 6.533 1.527 ( 5.350 1.902 -2.599) 6.245 1.556 ( 6.166 -0.207 -1.315) 6.308 1.663 ( 4.262 3.112 0.331) 5.288 1.669 ( 6.362 0.848 -0.287) 6.425 1.744 ( 1.281 -2.615 2.093) 3.586 1.794 ( -1.820 -1.880 -2.762) 3.805 1.962 ( 3.535 -1.729 8.883) 9.716 2.121 ( 0.232 -0.355 -7.342) 7.354 2.833 ( 3.589 0.584 0.477) 3.667 2.853 ( 4.094 -0.017 -1.646) 4.412 3.029 ( 9.612 0.639 0.884) 9.674 3.064 ( 9.832 0.708 -2.683) 10.216 3.413 ( 6.588 1.188 3.546) 7.576 3.441 ( 7.235 0.930 0.672) 7.326 3.569 ( -0.736 0.276 8.019) 8.058 3.607 ( -3.360 2.589 5.943) 7.301 3.739 ( -0.127 2.068 2.767) 3.457 3.821 ( -1.353 -1.682 -4.140) 4.670 3.841 ( 2.102 -1.318 -0.590) 2.551 3.915 ( -3.552 -1.535 -6.454) 7.525 4.067 ( 7.602 0.194 1.646) 7.780 4.110 ( 5.639 0.013 -3.283) 6.526 4.835 ( -0.370 -0.052 -0.571) 0.682 4.859 ( -1.769 0.229 -3.122) 3.596 8.891 ( 13.277 -0.409 2.470) 13.511 8.960 ( 12.370 0.414 -5.061) 13.372 9.985 ( -9.365 1.330 2.711) 9.839 10.053 ( -9.947 2.003 -4.312) 11.025 10.334 ( -5.955 -0.751 3.335) 6.867 10.362 ( -7.482 -0.468 0.542) 7.516 ======================= Grid point 457 (134/172) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -1.608 0.217 2.556) 3.028 0.955 ( -1.675 -0.018 0.520) 1.754 1.292 ( 2.377 1.328 1.544) 3.130 1.304 ( 1.718 2.868 0.277) 3.355 1.544 ( 5.149 0.530 4.746) 7.023 1.604 ( 4.504 0.403 1.877) 4.896 1.620 ( 5.193 -1.040 -0.896) 5.372 1.674 ( 5.384 -0.660 -1.520) 5.633 1.702 ( 2.180 0.024 3.329) 3.980 1.790 ( 4.082 0.740 -4.619) 6.209 1.816 ( 3.516 -2.370 2.578) 4.962 1.830 ( 4.429 -1.070 0.711) 4.611 2.022 ( 1.670 -0.018 2.681) 3.159 2.109 ( -1.466 0.543 -5.394) 5.616 2.915 ( 4.796 0.978 1.017) 4.999 2.942 ( 4.872 0.390 -1.989) 5.277 3.155 ( 3.206 1.403 1.153) 3.684 3.192 ( 3.064 1.490 -2.708) 4.353 3.485 ( 0.702 1.750 8.261) 8.473 3.522 ( -0.588 -0.162 8.893) 8.914 3.547 ( 0.000 1.826 0.695) 1.954 3.573 ( 1.293 0.436 1.825) 2.278 3.723 ( -0.115 0.955 3.593) 3.719 3.768 ( -2.597 -0.897 -0.294) 2.763 3.867 ( 1.400 0.475 -4.514) 4.750 3.896 ( 2.592 0.578 -6.709) 7.216 4.191 ( 2.403 -0.361 0.201) 2.438 4.222 ( 2.352 -1.872 -2.928) 4.197 4.895 ( 6.335 0.601 -1.180) 6.472 4.898 ( 6.201 0.461 -1.566) 6.412 9.115 ( 9.197 -0.086 1.218) 9.277 9.154 ( 7.557 0.549 -3.003) 8.150 9.787 ( -9.749 1.023 2.134) 10.032 9.843 ( -10.221 1.344 -3.721) 10.960 10.238 ( -3.861 0.423 2.229) 4.479 10.247 ( -3.993 -0.157 1.226) 4.180 ======================= Grid point 458 (135/172) ======================= q-point: ( 0.42 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -1.746 0.535 2.084) 2.771 0.909 ( -2.357 0.316 0.648) 2.465 1.310 ( 0.911 1.583 1.390) 2.295 1.325 ( 0.804 1.101 -0.282) 1.393 1.649 ( 4.243 -0.682 3.233) 5.377 1.676 ( 2.678 -0.784 2.308) 3.622 1.710 ( 2.954 -0.762 -0.284) 3.064 1.734 ( 2.502 0.201 0.178) 2.517 1.788 ( 4.401 -1.283 2.710) 5.325 1.853 ( 2.933 1.366 -2.936) 4.369 1.888 ( 2.171 -0.774 3.679) 4.342 1.899 ( 1.610 -0.100 2.625) 3.081 2.019 ( -1.502 1.287 -2.628) 3.289 2.068 ( -1.894 0.374 -6.180) 6.474 3.010 ( 4.835 0.513 0.882) 4.941 3.037 ( 4.552 0.047 -2.016) 4.979 3.160 ( -1.590 1.376 0.861) 2.273 3.188 ( -2.056 1.616 -2.101) 3.354 3.475 ( -0.430 0.812 9.218) 9.264 3.495 ( -1.205 -0.061 8.110) 8.200 3.535 ( -0.950 0.227 2.514) 2.697 3.579 ( -0.515 0.561 -1.250) 1.464 3.733 ( 1.005 0.394 2.473) 2.698 3.747 ( 0.001 0.259 1.100) 1.131 3.933 ( 5.064 -0.014 -2.382) 5.596 3.982 ( 5.486 1.524 -6.864) 8.918 4.162 ( -4.348 -0.157 -0.143) 4.354 4.206 ( -3.619 -1.807 -4.257) 5.872 5.041 ( 6.924 0.449 -0.408) 6.951 5.048 ( 6.976 0.265 -1.169) 7.078 9.271 ( 6.621 0.362 -0.451) 6.646 9.278 ( 5.740 0.504 -1.260) 5.898 9.602 ( -8.137 0.620 1.590) 8.315 9.644 ( -9.078 0.461 -2.867) 9.531 10.180 ( -1.779 0.297 2.233) 2.870 10.195 ( -1.573 0.109 0.640) 1.701 ======================= Grid point 459 (136/172) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 0.000 -0.000 1.211) 1.211 0.878 ( -0.000 -0.000 1.118) 1.118 1.318 ( 0.000 -0.000 1.095) 1.095 1.330 ( 0.000 -0.000 -0.201) 0.201 1.681 ( 0.000 0.000 2.487) 2.487 1.719 ( 0.000 -0.000 1.266) 1.266 1.736 ( 0.000 -0.000 3.040) 3.040 1.782 ( -0.000 -0.000 -0.386) 0.386 1.847 ( -0.000 0.000 1.630) 1.630 1.871 ( 0.000 -0.000 1.660) 1.660 1.902 ( 0.000 -0.000 1.412) 1.412 1.912 ( 0.000 -0.000 4.968) 4.968 1.990 ( 0.000 -0.000 -5.849) 5.849 2.048 ( 0.000 0.000 -7.693) 7.693 3.089 ( 0.000 -0.000 0.791) 0.791 3.100 ( -0.000 0.000 -0.060) 0.060 3.124 ( -0.000 0.000 -1.475) 1.475 3.129 ( 0.000 -0.000 -1.667) 1.667 3.469 ( 0.000 0.000 9.104) 9.104 3.481 ( 0.000 -0.000 7.530) 7.530 3.524 ( 0.000 0.000 3.090) 3.090 3.570 ( 0.000 -0.000 -1.603) 1.603 3.746 ( 0.000 -0.000 1.547) 1.547 3.747 ( -0.000 0.000 1.725) 1.725 4.036 ( -0.000 0.000 -3.865) 3.865 4.061 ( 0.000 -0.000 -5.489) 5.489 4.066 ( 0.000 -0.000 1.772) 1.772 4.143 ( 0.000 -0.000 -5.490) 5.490 5.116 ( 0.000 0.000 -0.202) 0.202 5.123 ( 0.000 -0.000 -1.026) 1.026 9.355 ( 0.000 -0.000 -0.623) 0.623 9.364 ( -0.000 -0.000 -1.591) 1.591 9.503 ( 0.000 -0.000 0.203) 0.203 9.514 ( -0.000 -0.000 -0.918) 0.918 10.162 ( 0.000 0.000 2.230) 2.230 10.179 ( 0.000 -0.000 0.404) 0.404 ======================= Grid point 467 (137/172) ======================= q-point: ( 0.08 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 4.437 -0.000 5.294) 6.907 0.952 ( 1.256 -0.000 2.770) 3.041 1.080 ( 4.267 -0.000 2.976) 5.202 1.110 ( 6.667 -0.000 -1.203) 6.775 1.330 ( 7.415 -0.000 -0.760) 7.454 1.363 ( 8.367 -0.000 -3.490) 9.066 1.397 ( 5.875 -0.000 1.489) 6.060 1.436 ( 4.850 -0.000 -1.721) 5.146 1.540 ( 6.238 -0.000 3.341) 7.077 1.579 ( 5.415 -0.000 -1.153) 5.536 1.804 ( -5.642 0.000 5.663) 7.993 1.880 ( -6.467 0.000 -2.274) 6.855 1.884 ( 2.201 -0.000 12.082) 12.281 2.100 ( 0.930 -0.000 -10.071) 10.114 2.749 ( 9.095 -0.000 -0.884) 9.138 2.756 ( 7.958 -0.000 -1.570) 8.111 2.825 ( 6.204 -0.000 0.598) 6.233 2.853 ( 8.044 -0.000 -2.533) 8.434 3.268 ( 7.941 -0.000 1.676) 8.116 3.278 ( 9.026 -0.000 0.639) 9.048 3.587 ( -0.717 0.000 9.351) 9.379 3.625 ( 7.183 -0.000 2.655) 7.658 3.629 ( 11.152 -0.000 0.598) 11.168 3.736 ( 2.189 -0.000 -6.534) 6.891 3.858 ( -5.038 0.000 6.167) 7.963 4.001 ( -5.137 0.000 -8.342) 9.796 4.012 ( -0.984 0.000 4.131) 4.246 4.092 ( -2.188 0.000 -4.672) 5.159 4.879 ( -3.575 0.000 1.047) 3.726 4.933 ( -4.794 0.000 -4.452) 6.542 8.589 ( 16.076 -0.000 2.563) 16.279 8.664 ( 17.139 -0.000 -5.737) 18.074 10.168 ( -7.699 0.000 3.806) 8.588 10.260 ( -9.111 0.000 -5.859) 10.832 10.452 ( -6.565 0.000 5.654) 8.665 10.525 ( -8.935 0.000 -1.797) 9.114 ======================= Grid point 468 (138/172) ======================= q-point: ( 0.17 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 0.066 -0.012 2.306) 2.307 0.966 ( 0.235 -0.028 0.716) 0.754 1.208 ( 6.955 0.991 3.324) 7.772 1.250 ( 6.083 -0.586 -0.807) 6.164 1.451 ( 4.684 -0.343 4.032) 6.190 1.484 ( 5.362 -0.608 2.502) 5.948 1.541 ( 6.204 1.698 -2.131) 6.776 1.552 ( 6.304 -0.915 -1.266) 6.495 1.673 ( 6.740 0.673 1.881) 7.030 1.690 ( 3.859 3.592 -0.105) 5.273 1.721 ( -0.126 -3.341 1.716) 3.758 1.782 ( -2.306 -1.045 -3.663) 4.453 1.953 ( 3.994 -0.569 9.577) 10.392 2.119 ( 0.542 -0.117 -7.512) 7.532 2.837 ( 3.697 0.259 0.389) 3.726 2.853 ( 4.292 0.002 -1.391) 4.511 3.032 ( 9.809 0.200 0.937) 9.855 3.067 ( 9.947 0.204 -2.635) 10.292 3.420 ( 6.809 0.510 3.756) 7.793 3.446 ( 7.125 0.252 1.101) 7.213 3.570 ( -0.744 0.100 8.007) 8.043 3.621 ( -3.635 1.089 4.780) 6.103 3.760 ( -0.345 3.731 2.743) 4.644 3.792 ( -1.291 -4.729 1.717) 5.194 3.844 ( 3.695 0.686 -5.253) 6.458 3.906 ( -3.793 -0.701 -7.444) 8.384 4.068 ( 7.318 0.072 1.874) 7.555 4.111 ( 5.009 0.017 -3.095) 5.888 4.834 ( -0.195 -0.017 -0.473) 0.512 4.860 ( -1.662 0.081 -3.166) 3.576 8.889 ( 13.338 -0.140 2.659) 13.601 8.962 ( 12.370 0.141 -5.325) 13.468 9.992 ( -9.561 0.511 2.969) 10.024 10.063 ( -10.291 0.748 -4.417) 11.224 10.330 ( -5.456 -0.295 3.458) 6.466 10.360 ( -7.273 -0.189 0.525) 7.294 ======================= Grid point 469 (139/172) ======================= q-point: ( 0.25 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -1.449 0.123 2.481) 2.876 0.955 ( -1.541 -0.006 0.564) 1.641 1.300 ( 2.369 0.802 1.832) 3.101 1.322 ( 1.618 1.822 -0.467) 2.481 1.548 ( 5.481 0.611 5.589) 7.852 1.590 ( 4.338 -2.300 4.461) 6.634 1.632 ( 4.563 2.394 -3.220) 6.076 1.667 ( 4.632 -1.303 -2.164) 5.276 1.703 ( 1.855 0.091 3.464) 3.931 1.793 ( 4.436 0.175 -3.447) 5.620 1.802 ( 3.931 -1.515 1.920) 4.630 1.825 ( 5.089 -0.292 0.054) 5.098 2.022 ( 2.183 -0.032 3.081) 3.776 2.112 ( -1.367 0.284 -5.386) 5.564 2.921 ( 4.750 0.596 0.944) 4.879 2.945 ( 4.855 0.243 -1.694) 5.148 3.163 ( 3.277 0.740 1.266) 3.590 3.200 ( 3.207 0.754 -2.624) 4.212 3.497 ( 0.510 1.491 8.746) 8.887 3.519 ( -0.711 -0.498 8.859) 8.902 3.558 ( -0.775 1.226 1.201) 1.884 3.575 ( 1.541 0.278 1.422) 2.115 3.732 ( -0.359 1.471 2.889) 3.262 3.759 ( -2.044 -1.667 0.567) 2.698 3.870 ( 0.947 0.245 -4.680) 4.782 3.900 ( 3.349 0.441 -7.115) 7.876 4.190 ( 2.467 0.063 -0.172) 2.474 4.210 ( 2.196 -1.358 -2.355) 3.494 4.898 ( 6.534 0.360 -1.164) 6.647 4.901 ( 6.020 0.248 -1.473) 6.203 9.114 ( 9.339 -0.035 1.419) 9.446 9.157 ( 7.565 0.295 -3.190) 8.215 9.793 ( -9.881 0.606 2.397) 10.186 9.851 ( -10.486 0.781 -3.662) 11.135 10.241 ( -3.741 0.397 2.015) 4.268 10.246 ( -3.931 -0.257 1.501) 4.216 ======================= Grid point 470 (140/172) ======================= q-point: ( 0.33 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -1.800 0.393 2.106) 2.798 0.911 ( -2.364 0.222 0.780) 2.499 1.320 ( 0.644 1.274 1.254) 1.900 1.332 ( 0.222 0.802 -0.041) 0.833 1.644 ( 3.023 -0.764 3.221) 4.483 1.670 ( 3.732 -0.694 4.154) 5.627 1.707 ( 2.428 -0.265 -1.744) 3.001 1.736 ( 3.560 0.336 -0.943) 3.698 1.779 ( 4.127 -1.094 3.788) 5.708 1.861 ( 2.896 0.693 -3.869) 4.882 1.883 ( 2.665 -0.640 4.374) 5.162 1.901 ( 1.783 0.424 2.414) 3.031 2.027 ( -1.440 0.866 -2.585) 3.083 2.070 ( -2.135 0.182 -5.918) 6.294 3.014 ( 4.561 0.402 0.806) 4.649 3.038 ( 4.372 0.066 -1.780) 4.721 3.168 ( -1.831 0.939 1.051) 2.310 3.198 ( -2.277 1.126 -2.090) 3.290 3.481 ( -0.703 0.802 9.188) 9.250 3.494 ( -1.183 -0.227 8.518) 8.603 3.537 ( -1.148 0.271 2.611) 2.865 3.583 ( -0.678 0.476 -1.451) 1.671 3.735 ( 0.734 0.308 2.428) 2.555 3.748 ( 0.183 -0.002 1.201) 1.215 3.933 ( 5.048 0.056 -1.939) 5.408 3.992 ( 5.505 1.150 -7.330) 9.239 4.162 ( -4.192 0.194 -0.701) 4.254 4.193 ( -3.540 -1.695 -3.622) 5.341 5.044 ( 6.777 0.313 -0.435) 6.798 5.050 ( 6.894 0.207 -1.073) 6.980 9.273 ( 6.793 0.261 -0.341) 6.807 9.281 ( 5.545 0.359 -1.264) 5.699 9.606 ( -8.303 0.457 1.643) 8.476 9.647 ( -9.415 0.351 -2.728) 9.808 10.182 ( -1.875 0.218 2.202) 2.900 10.195 ( -1.561 0.076 0.725) 1.723 ======================= Grid point 471 (141/172) ======================= q-point: ( 0.42 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -0.415 0.002 1.209) 1.278 0.878 ( -0.022 -0.007 1.119) 1.119 1.318 ( -0.716 0.027 1.101) 1.313 1.330 ( -0.249 0.041 -0.202) 0.323 1.681 ( 1.020 -0.110 2.465) 2.671 1.718 ( 0.162 -0.065 1.119) 1.132 1.736 ( 0.240 -0.077 3.165) 3.175 1.784 ( -0.427 0.300 -0.536) 0.748 1.842 ( 1.244 -1.044 2.236) 2.763 1.876 ( -1.388 1.051 1.372) 2.217 1.902 ( 0.127 0.046 1.246) 1.254 1.912 ( 0.226 -0.114 4.953) 4.960 1.990 ( -0.850 0.034 -5.810) 5.872 2.048 ( -0.046 -0.073 -7.677) 7.678 3.089 ( 1.128 -0.120 0.761) 1.366 3.101 ( -0.948 0.348 -0.068) 1.012 3.120 ( 1.460 -0.700 -1.277) 2.062 3.131 ( -3.042 0.437 -1.829) 3.576 3.469 ( -0.328 -0.009 9.107) 9.113 3.481 ( 0.027 0.001 7.529) 7.530 3.525 ( 0.010 0.092 3.074) 3.075 3.570 ( -0.200 0.027 -1.594) 1.606 3.745 ( 0.097 -0.217 1.756) 1.772 3.747 ( -0.423 0.080 1.518) 1.578 4.038 ( 0.259 0.365 -3.904) 3.929 4.060 ( -1.127 -0.361 -5.429) 5.556 4.066 ( -0.801 0.002 1.803) 1.973 4.143 ( 1.786 0.046 -5.539) 5.820 5.115 ( -0.172 -0.035 -0.187) 0.256 5.124 ( -0.084 0.034 -1.040) 1.044 9.355 ( -0.709 -0.002 -0.622) 0.944 9.364 ( 0.149 0.003 -1.589) 1.596 9.503 ( -1.078 0.017 0.195) 1.095 9.514 ( 0.872 -0.018 -0.911) 1.261 10.162 ( -0.111 -0.005 2.232) 2.234 10.179 ( -0.060 0.005 0.403) 0.407 ======================= Grid point 472 (142/172) ======================= q-point: (-0.50 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 1.677 -0.535 2.055) 2.706 0.907 ( 2.352 -0.329 0.495) 2.426 1.298 ( -1.324 -1.462 1.491) 2.473 1.317 ( -1.311 -1.072 -0.518) 1.770 1.653 ( -5.144 0.442 3.229) 6.089 1.680 ( -3.066 0.303 0.327) 3.098 1.718 ( -2.166 1.398 1.134) 2.816 1.733 ( -1.601 0.061 0.886) 1.831 1.797 ( -4.697 1.127 1.995) 5.226 1.841 ( -3.143 -1.875 -1.522) 3.963 1.893 ( -1.571 0.741 3.031) 3.494 1.903 ( -1.262 0.809 2.667) 3.059 2.009 ( 1.503 -1.463 -2.749) 3.458 2.064 ( 1.612 -0.529 -6.493) 6.711 3.007 ( -5.143 -0.473 0.975) 5.256 3.037 ( -4.769 0.028 -2.300) 5.295 3.149 ( 1.297 -1.504 0.650) 2.090 3.176 ( 1.762 -1.704 -2.124) 3.244 3.470 ( 0.208 -0.681 9.236) 9.263 3.495 ( 1.180 -0.023 7.697) 7.787 3.534 ( 0.765 -0.075 2.366) 2.488 3.575 ( 0.364 -0.473 -1.008) 1.172 3.730 ( -1.212 -0.409 2.435) 2.750 3.744 ( 0.028 -0.498 1.056) 1.168 3.934 ( -5.125 0.171 -2.896) 5.890 3.971 ( -5.437 -1.543 -6.345) 8.497 4.164 ( 4.528 0.333 0.316) 4.551 4.219 ( 3.732 1.550 -4.772) 6.253 5.037 ( -7.080 -0.465 -0.366) 7.104 5.046 ( -7.088 -0.253 -1.290) 7.209 9.268 ( -6.347 -0.368 -0.592) 6.385 9.274 ( -6.047 -0.521 -1.250) 6.197 9.597 ( 7.947 -0.615 1.538) 8.118 9.641 ( 8.698 -0.439 -3.029) 9.220 10.178 ( 1.676 -0.298 2.268) 2.836 10.194 ( 1.573 -0.114 0.542) 1.667 ======================= Grid point 473 (143/172) ======================= q-point: (-0.42 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 1.834 -0.256 2.665) 3.245 0.955 ( 1.862 0.033 0.459) 1.918 1.282 ( -2.930 -1.647 1.134) 3.548 1.282 ( -1.221 -2.797 1.107) 3.246 1.540 ( -5.220 -0.511 3.758) 6.452 1.590 ( -5.192 -2.284 -1.487) 5.863 1.640 ( -5.250 3.224 1.946) 6.461 1.677 ( -6.183 0.162 -0.569) 6.211 1.703 ( -2.496 0.158 2.981) 3.891 1.783 ( -3.307 -1.144 -4.274) 5.523 1.834 ( -3.177 2.420 2.358) 4.637 1.841 ( -4.012 1.689 1.137) 4.500 2.022 ( -0.845 -0.014 2.088) 2.252 2.104 ( 1.636 -0.726 -5.422) 5.710 2.907 ( -4.839 -1.052 1.112) 5.075 2.940 ( -4.877 -0.372 -2.386) 5.442 3.143 ( -3.133 -1.821 0.964) 3.750 3.179 ( -2.936 -2.021 -2.796) 4.530 3.473 ( -0.959 -1.529 7.919) 8.122 3.522 ( 0.345 -0.116 8.625) 8.632 3.534 ( -0.759 -1.636 0.461) 1.862 3.569 ( -1.082 -0.459 2.143) 2.444 3.717 ( 0.109 -0.538 3.759) 3.799 3.771 ( 2.813 -0.115 -0.903) 2.957 3.863 ( -1.880 -0.576 -4.123) 4.568 3.892 ( -1.579 -0.427 -6.374) 6.580 4.195 ( -2.395 0.667 0.560) 2.548 4.236 ( -2.443 1.899 -3.506) 4.676 4.890 ( -6.167 -0.684 -1.212) 6.322 4.894 ( -6.347 -0.559 -1.684) 6.591 9.116 ( -8.989 0.161 0.905) 9.035 9.149 ( -7.555 -0.716 -2.710) 8.058 9.779 ( 9.590 -1.139 1.767) 9.818 9.832 ( 9.853 -1.539 -3.789) 10.668 10.235 ( 3.991 -0.404 2.389) 4.668 10.248 ( 4.094 0.060 0.979) 4.210 ======================= Grid point 474 (144/172) ======================= q-point: (-0.33 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -0.249 0.052 2.355) 2.369 0.966 ( -0.686 -0.069 0.731) 1.005 1.190 ( -6.585 -0.723 4.979) 8.287 1.257 ( -2.677 -0.186 -1.443) 3.047 1.461 ( -3.684 0.053 3.992) 5.432 1.489 ( -6.487 -1.162 3.671) 7.544 1.520 ( -4.791 0.147 -2.494) 5.404 1.556 ( -5.750 -0.346 -0.863) 5.824 1.642 ( -4.254 -2.234 0.433) 4.824 1.670 ( -7.224 1.279 -2.213) 7.663 1.758 ( -2.371 1.125 2.790) 3.830 1.806 ( 0.941 1.109 -1.944) 2.428 1.978 ( -2.669 2.683 7.647) 8.533 2.124 ( 0.348 0.579 -6.999) 7.031 2.829 ( -3.285 -0.543 0.591) 3.382 2.853 ( -3.744 0.172 -2.044) 4.269 3.023 ( -9.303 -1.118 0.744) 9.399 3.056 ( -9.671 -1.373 -2.736) 10.144 3.404 ( -6.311 -1.305 3.203) 7.196 3.432 ( -7.301 -1.614 0.193) 7.480 3.566 ( 0.712 -0.382 8.035) 8.075 3.587 ( 2.907 -2.676 7.558) 8.529 3.729 ( 0.209 -0.835 1.959) 2.140 3.814 ( -1.227 -2.035 -7.439) 7.809 3.865 ( 2.380 3.706 2.238) 4.940 3.927 ( 3.667 1.848 -5.358) 6.750 4.065 ( -8.100 -0.274 1.287) 8.207 4.111 ( -6.832 0.071 -3.633) 7.739 4.835 ( 0.675 0.088 -0.750) 1.013 4.857 ( 1.954 -0.336 -3.038) 3.627 8.895 ( -13.164 0.640 2.103) 13.346 8.956 ( -12.376 -0.653 -4.561) 13.206 9.974 ( 9.077 -1.661 2.235) 9.494 10.035 ( 9.424 -2.673 -4.123) 10.628 10.341 ( 6.736 0.919 3.136) 7.487 10.366 ( 7.803 0.534 0.576) 7.842 ======================= Grid point 475 (145/172) ======================= q-point: (-0.25 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -4.644 -1.027 4.230) 6.365 0.948 ( -1.118 -1.307 0.336) 1.753 1.052 ( -6.285 0.903 7.506) 9.831 1.182 ( -3.161 5.066 -4.523) 7.491 1.340 ( -7.043 2.575 4.187) 8.588 1.378 ( -5.956 -2.265 1.356) 6.515 1.412 ( -6.052 3.789 -2.918) 7.714 1.438 ( -5.708 1.185 -3.127) 6.615 1.522 ( -6.115 -1.511 2.651) 6.834 1.556 ( -4.925 -2.389 -1.100) 5.583 1.783 ( 3.716 -2.953 5.914) 7.583 1.853 ( 2.314 -2.353 0.256) 3.310 1.928 ( 0.523 4.013 8.338) 9.268 2.120 ( 0.112 2.482 -9.414) 9.736 2.746 ( -10.252 -0.255 -1.029) 10.306 2.747 ( -8.084 -0.451 -1.065) 8.167 2.845 ( -4.118 2.069 -0.406) 4.626 2.860 ( -6.560 0.666 -2.052) 6.906 3.259 ( -8.123 -1.069 1.726) 8.372 3.273 ( -8.505 -0.761 0.322) 8.545 3.585 ( 0.717 -0.286 9.172) 9.205 3.602 ( -5.361 -2.019 4.084) 7.036 3.639 ( -10.474 0.752 0.954) 10.544 3.746 ( -1.991 0.860 -6.226) 6.593 3.853 ( 0.319 -0.359 4.253) 4.280 3.982 ( 2.835 -2.205 -8.379) 9.116 4.024 ( 3.500 1.451 4.740) 6.068 4.109 ( 4.529 1.807 -4.628) 6.723 4.886 ( 3.869 0.892 0.754) 4.042 4.935 ( 4.933 0.159 -4.182) 6.469 8.594 ( -16.150 0.599 2.211) 16.311 8.660 ( -17.113 -0.535 -5.108) 17.867 10.144 ( 7.063 -2.714 3.230) 8.227 10.219 ( 7.615 -4.489 -4.358) 9.855 10.489 ( 8.484 3.923 3.937) 10.143 10.543 ( 9.771 1.987 -1.220) 10.045 ======================= Grid point 476 (146/172) ======================= q-point: (-0.17 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -5.042 0.440 10.379) 11.548 0.917 ( -3.485 2.373 8.344) 9.348 0.958 ( -2.295 -4.955 -2.133) 5.862 1.110 ( -2.244 5.104 -7.715) 9.519 1.199 ( -4.854 4.688 1.552) 6.925 1.248 ( -4.645 6.078 -2.374) 8.010 1.301 ( -3.905 -0.686 1.945) 4.416 1.343 ( -3.978 -1.256 -2.325) 4.776 1.444 ( -2.180 -1.504 4.949) 5.613 1.495 ( -1.730 -1.333 -1.207) 2.495 1.837 ( -0.298 0.082 10.205) 10.210 1.904 ( 3.593 -5.580 4.609) 8.080 2.003 ( 5.046 -0.221 0.123) 5.053 2.120 ( 1.147 3.745 -10.396) 11.110 2.507 ( -10.960 -0.071 -0.020) 10.960 2.529 ( -10.529 -0.202 -2.365) 10.793 2.811 ( 0.036 3.263 -1.354) 3.533 2.814 ( 0.282 3.934 -1.592) 4.253 3.108 ( -6.625 -0.689 1.843) 6.911 3.124 ( -5.911 -0.121 0.216) 5.916 3.421 ( -8.291 0.119 0.303) 8.298 3.436 ( -8.701 0.456 -0.914) 8.761 3.601 ( 0.552 -0.023 9.391) 9.407 3.742 ( 0.536 0.606 -4.830) 4.897 3.908 ( 2.421 -6.154 6.641) 9.372 4.054 ( 2.539 -4.219 -8.730) 10.023 4.087 ( 3.143 5.120 5.065) 7.858 4.183 ( 3.426 5.015 -5.314) 8.070 4.961 ( 3.488 1.210 2.010) 4.204 5.028 ( 3.931 0.363 -4.834) 6.241 8.292 ( -12.386 0.164 0.970) 12.425 8.323 ( -14.887 -0.239 -2.546) 15.105 10.270 ( 4.155 -3.533 4.496) 7.068 10.366 ( 4.781 -6.697 -4.950) 9.603 10.620 ( 5.846 6.873 4.531) 10.097 10.712 ( 7.306 3.394 -4.181) 9.076 ======================= Grid point 477 (147/172) ======================= q-point: (-0.08 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 0.000 1.374 14.018) 14.085 0.853 ( 0.000 2.155 12.681) 12.863 0.965 ( -0.000 -5.688 -8.455) 10.190 1.068 ( 0.000 1.093 -10.219) 10.277 1.129 ( 0.000 7.511 3.153) 8.146 1.183 ( 0.000 6.081 -1.692) 6.312 1.264 ( -0.000 -1.870 2.200) 2.888 1.303 ( -0.000 -1.076 -1.978) 2.252 1.434 ( -0.000 -1.706 5.304) 5.572 1.486 ( -0.000 -0.639 -1.013) 1.197 1.830 ( 0.000 0.569 10.042) 10.058 1.971 ( -0.000 -6.889 2.335) 7.274 2.058 ( 0.000 2.643 -2.262) 3.478 2.133 ( 0.000 1.336 -8.285) 8.392 2.380 ( 0.000 0.523 0.974) 1.105 2.411 ( 0.000 0.200 -2.366) 2.374 2.802 ( 0.000 3.073 -1.590) 3.460 2.805 ( 0.000 3.636 -1.792) 4.053 3.036 ( -0.000 -0.247 2.459) 2.472 3.061 ( -0.000 -0.094 -0.204) 0.224 3.334 ( -0.000 -0.167 -0.269) 0.316 3.339 ( 0.000 0.229 -0.798) 0.830 3.607 ( 0.000 0.038 9.255) 9.255 3.746 ( 0.000 0.421 -4.663) 4.682 3.962 ( -0.000 -7.386 6.070) 9.561 4.096 ( 0.000 2.344 -1.695) 2.893 4.100 ( -0.000 -0.514 -1.776) 1.849 4.198 ( 0.000 5.821 -5.714) 8.157 4.996 ( 0.000 0.990 2.432) 2.625 5.069 ( 0.000 0.339 -5.080) 5.091 8.157 ( -0.000 -0.035 0.120) 0.125 8.158 ( -0.000 -0.044 -0.032) 0.055 10.325 ( -0.000 -3.063 5.337) 6.153 10.443 ( -0.000 -7.085 -6.292) 9.475 10.654 ( 0.000 7.308 5.765) 9.308 10.778 ( 0.000 3.131 -6.360) 7.089 ======================= Grid point 480 (148/172) ======================= q-point: ( 0.17 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -1.392 0.000 2.455) 2.822 0.955 ( -1.493 0.000 0.579) 1.601 1.303 ( 2.364 -0.000 1.942) 3.059 1.329 ( 1.562 -0.000 -0.794) 1.752 1.551 ( 5.923 -0.000 6.057) 8.472 1.581 ( 3.954 -0.000 4.393) 5.911 1.644 ( 4.487 -0.000 -3.476) 5.676 1.658 ( 4.199 -0.000 -2.108) 4.698 1.703 ( 1.684 -0.000 3.475) 3.861 1.795 ( 5.254 -0.000 3.651) 6.399 1.795 ( 3.462 -0.000 -4.713) 5.848 1.825 ( 5.363 -0.000 -0.402) 5.378 2.022 ( 2.353 -0.000 3.224) 3.991 2.113 ( -1.335 0.000 -5.385) 5.548 2.923 ( 4.730 -0.000 0.915) 4.817 2.946 ( 4.847 -0.000 -1.584) 5.099 3.165 ( 3.307 -0.000 1.301) 3.554 3.203 ( 3.269 -0.000 -2.589) 4.170 3.504 ( 0.559 -0.000 9.166) 9.183 3.517 ( -0.871 0.000 8.620) 8.664 3.563 ( -1.119 0.000 1.503) 1.874 3.576 ( 1.673 -0.000 1.200) 2.059 3.741 ( -0.415 0.000 2.105) 2.146 3.748 ( -1.843 0.000 1.348) 2.284 3.871 ( 0.784 -0.000 -4.715) 4.780 3.902 ( 3.607 -0.000 -7.296) 8.139 4.191 ( 2.575 -0.000 -0.355) 2.600 4.204 ( 2.047 -0.000 -2.088) 2.924 4.899 ( 6.665 -0.000 -1.160) 6.765 4.901 ( 5.896 -0.000 -1.437) 6.069 9.114 ( 9.389 -0.000 1.487) 9.506 9.158 ( 7.569 -0.000 -3.254) 8.239 9.796 ( -9.933 0.000 2.493) 10.241 9.854 ( -10.582 0.000 -3.638) 11.190 10.243 ( -3.292 0.000 1.751) 3.729 10.244 ( -4.310 0.000 1.786) 4.666 ======================= Grid point 481 (149/172) ======================= q-point: ( 0.25 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -1.828 0.145 2.117) 2.801 0.912 ( -2.369 0.079 0.857) 2.521 1.327 ( 0.617 0.508 1.135) 1.388 1.336 ( -0.271 0.279 0.132) 0.411 1.639 ( 2.281 -0.351 3.314) 4.038 1.666 ( 4.697 -0.241 4.932) 6.815 1.705 ( 1.734 -0.066 -2.421) 2.979 1.738 ( 4.338 0.191 -2.142) 4.842 1.773 ( 3.908 -0.459 4.941) 6.316 1.864 ( 2.894 0.204 -4.305) 5.191 1.879 ( 2.951 -0.243 4.895) 5.721 1.903 ( 1.835 0.239 2.136) 2.826 2.031 ( -1.369 0.306 -2.578) 2.935 2.071 ( -2.286 0.047 -5.764) 6.201 3.016 ( 4.398 0.153 0.762) 4.466 3.038 ( 4.270 0.029 -1.644) 4.576 3.173 ( -1.961 0.330 1.160) 2.302 3.204 ( -2.390 0.400 -2.088) 3.198 3.487 ( -0.997 0.624 9.118) 9.194 3.491 ( -1.050 -0.408 8.813) 8.885 3.538 ( -1.279 0.123 2.661) 2.955 3.586 ( -0.791 0.190 -1.559) 1.758 3.737 ( 0.464 0.134 2.350) 2.399 3.747 ( 0.432 -0.060 1.302) 1.373 3.934 ( 5.052 0.032 -1.681) 5.324 3.998 ( 5.512 0.433 -7.615) 9.410 4.165 ( -4.116 0.335 -1.221) 4.307 4.183 ( -3.489 -0.900 -3.042) 4.716 5.045 ( 6.685 0.110 -0.443) 6.701 5.051 ( 6.855 0.080 -1.024) 6.931 9.274 ( 6.874 0.095 -0.282) 6.881 9.283 ( 5.454 0.129 -1.265) 5.600 9.608 ( -8.400 0.168 1.676) 8.567 9.649 ( -9.613 0.131 -2.647) 9.972 10.183 ( -1.935 0.080 2.184) 2.918 10.196 ( -1.548 0.027 0.775) 1.732 ======================= Grid point 482 (150/172) ======================= q-point: ( 0.33 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -0.735 0.003 1.206) 1.412 0.878 ( -0.020 -0.007 1.122) 1.122 1.319 ( -1.238 0.027 1.112) 1.664 1.331 ( -0.435 0.041 -0.204) 0.482 1.680 ( 1.756 -0.108 2.421) 2.993 1.718 ( 0.309 -0.071 0.831) 0.889 1.735 ( 0.375 -0.067 3.410) 3.431 1.786 ( -0.761 0.325 -0.922) 1.239 1.835 ( 1.545 -0.794 3.149) 3.597 1.883 ( -1.810 0.783 1.269) 2.345 1.903 ( 0.364 0.095 0.655) 0.756 1.911 ( 0.308 -0.175 5.090) 5.102 1.991 ( -1.475 0.035 -5.732) 5.918 2.047 ( -0.074 -0.075 -7.646) 7.646 3.088 ( 1.603 -0.098 0.724) 1.762 3.105 ( -1.282 0.556 -0.092) 1.400 3.115 ( 0.979 -0.747 -1.061) 1.625 3.134 ( -3.728 0.254 -1.985) 4.231 3.469 ( -0.566 -0.009 9.112) 9.130 3.481 ( 0.046 0.001 7.528) 7.529 3.525 ( 0.013 0.092 3.041) 3.043 3.570 ( -0.347 0.027 -1.575) 1.613 3.744 ( -0.027 -0.160 1.854) 1.861 3.748 ( -0.534 0.022 1.422) 1.519 4.041 ( 0.878 0.521 -3.980) 4.109 4.057 ( -2.369 -0.516 -5.294) 5.823 4.066 ( -1.368 0.002 1.846) 2.298 4.144 ( 3.061 0.045 -5.635) 6.413 5.115 ( -0.293 -0.033 -0.158) 0.335 5.124 ( -0.150 0.032 -1.067) 1.078 9.355 ( -1.225 -0.002 -0.622) 1.373 9.364 ( 0.255 0.003 -1.587) 1.608 9.503 ( -1.913 0.017 0.177) 1.922 9.514 ( 1.557 -0.018 -0.897) 1.797 10.162 ( -0.191 -0.005 2.236) 2.244 10.179 ( -0.104 0.005 0.399) 0.412 ======================= Grid point 483 (151/172) ======================= q-point: (-0.58 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 1.613 -0.393 2.026) 2.619 0.904 ( 2.350 -0.248 0.363) 2.391 1.289 ( -1.713 -1.012 1.551) 2.523 1.310 ( -1.679 -0.760 -0.704) 1.972 1.656 ( -5.559 0.241 3.106) 6.372 1.681 ( -4.083 -0.033 -0.512) 4.115 1.728 ( -1.103 0.882 1.569) 2.111 1.736 ( -0.728 0.767 1.052) 1.492 1.804 ( -4.863 0.794 1.552) 5.166 1.827 ( -3.681 -1.825 -0.128) 4.111 1.899 ( -1.052 0.858 3.170) 3.448 1.909 ( -0.812 0.723 2.291) 2.536 1.998 ( 1.455 -1.240 -2.960) 3.524 2.060 ( 1.333 -0.503 -6.798) 6.946 3.004 ( -5.405 -0.321 1.064) 5.518 3.038 ( -4.971 0.092 -2.571) 5.597 3.139 ( 1.042 -1.204 0.489) 1.666 3.165 ( 1.476 -1.300 -2.160) 2.921 3.466 ( 0.063 -0.447 9.260) 9.271 3.494 ( 1.146 -0.036 7.388) 7.476 3.534 ( 0.643 0.037 2.189) 2.282 3.572 ( 0.256 -0.298 -0.799) 0.890 3.727 ( -1.352 -0.317 2.344) 2.725 3.740 ( -0.042 -0.502 1.064) 1.178 3.936 ( -5.252 0.347 -3.363) 6.246 3.960 ( -5.335 -1.274 -5.886) 8.046 4.167 ( 4.687 0.300 0.639) 4.740 4.228 ( 3.842 1.035 -5.124) 6.488 5.034 ( -7.206 -0.348 -0.322) 7.221 5.045 ( -7.196 -0.180 -1.400) 7.333 9.266 ( -5.995 -0.272 -0.731) 6.046 9.271 ( -6.432 -0.393 -1.232) 6.561 9.593 ( 7.783 -0.446 1.501) 7.939 9.638 ( 8.378 -0.308 -3.169) 8.962 10.176 ( 1.592 -0.219 2.298) 2.804 10.193 ( 1.563 -0.086 0.457) 1.631 ======================= Grid point 484 (152/172) ======================= q-point: (-0.50 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 2.068 -0.227 2.783) 3.475 0.955 ( 2.055 0.040 0.395) 2.093 1.262 ( -1.927 -2.395 1.698) 3.512 1.272 ( -2.218 -1.198 0.826) 2.653 1.537 ( -5.549 -0.470 2.804) 6.235 1.575 ( -5.670 -1.769 -1.775) 6.199 1.662 ( -5.332 2.639 1.794) 6.214 1.677 ( -6.788 -0.078 0.204) 6.791 1.705 ( -3.016 0.282 2.524) 3.943 1.775 ( -2.021 -1.043 -3.588) 4.248 1.850 ( -3.330 1.681 1.890) 4.182 1.854 ( -3.816 1.830 1.888) 4.634 2.022 ( 0.145 -0.006 1.397) 1.404 2.098 ( 1.867 -0.740 -5.477) 5.833 2.900 ( -4.858 -0.845 1.211) 5.077 2.937 ( -4.855 -0.225 -2.791) 5.605 3.129 ( -3.097 -1.764 0.738) 3.639 3.164 ( -2.902 -2.015 -2.846) 4.537 3.463 ( -1.183 -1.059 7.750) 7.911 3.521 ( -0.334 -0.224 7.620) 7.631 3.524 ( -0.934 -1.020 1.079) 1.754 3.566 ( -0.946 -0.381 2.312) 2.527 3.715 ( 0.269 -0.245 3.523) 3.541 3.768 ( 2.662 -0.765 -1.193) 3.015 3.860 ( -2.067 -0.472 -3.631) 4.204 3.890 ( -0.742 -0.234 -6.243) 6.291 4.200 ( -2.399 0.688 0.840) 2.633 4.248 ( -2.482 1.525 -3.954) 4.911 4.885 ( -6.033 -0.591 -1.252) 6.190 4.890 ( -6.462 -0.501 -1.796) 6.725 9.117 ( -8.757 0.241 0.523) 8.776 9.144 ( -7.570 -0.739 -2.352) 7.961 9.771 ( 9.459 -0.949 1.390) 9.608 9.822 ( 9.471 -1.324 -3.841) 10.306 10.232 ( 4.110 -0.325 2.495) 4.819 10.248 ( 4.185 -0.003 0.782) 4.257 ======================= Grid point 485 (153/172) ======================= q-point: (-0.42 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -0.393 0.065 2.352) 2.386 0.965 ( -1.171 -0.208 0.839) 1.455 1.189 ( -5.268 0.458 5.444) 7.589 1.253 ( -1.243 -0.836 -0.318) 1.532 1.454 ( -3.868 -1.828 1.954) 4.703 1.477 ( -5.037 -1.889 1.404) 5.559 1.528 ( -6.189 1.644 -0.245) 6.409 1.552 ( -5.395 -0.545 -0.169) 5.425 1.632 ( -4.536 -0.634 1.362) 4.779 1.687 ( -6.558 3.144 -3.564) 8.099 1.761 ( -3.739 -0.317 3.334) 5.020 1.809 ( -0.334 -0.326 -1.506) 1.577 1.999 ( -1.711 2.909 6.329) 7.173 2.129 ( 1.072 0.695 -6.526) 6.650 2.826 ( -2.767 -0.235 0.697) 2.863 2.856 ( -3.248 0.462 -2.479) 4.112 3.013 ( -9.016 -1.460 0.501) 9.147 3.044 ( -9.580 -1.947 -2.728) 10.149 3.395 ( -6.046 -1.038 2.840) 6.760 3.419 ( -7.333 -1.777 0.068) 7.546 3.563 ( 0.670 -0.386 8.043) 8.080 3.570 ( 2.455 -1.940 8.770) 9.311 3.725 ( 0.376 -0.148 0.829) 0.922 3.798 ( -1.261 -2.096 -7.186) 7.590 3.887 ( 4.230 2.341 2.333) 5.368 3.941 ( 4.205 1.963 -4.623) 6.551 4.063 ( -8.766 -0.314 0.961) 8.824 4.112 ( -8.328 0.189 -4.074) 9.273 4.836 ( 1.028 0.119 -0.977) 1.423 4.854 ( 2.170 -0.374 -2.921) 3.658 8.900 ( -13.017 0.794 1.589) 13.138 8.951 ( -12.398 -0.814 -3.888) 13.018 9.962 ( 8.823 -1.465 1.626) 9.090 10.015 ( 8.891 -2.656 -3.871) 10.055 10.347 ( 7.552 0.824 2.917) 8.137 10.369 ( 8.111 0.424 0.624) 8.146 ======================= Grid point 486 (154/172) ======================= q-point: (-0.33 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -4.758 -1.023 3.563) 6.032 0.935 ( -1.884 -1.923 -0.315) 2.711 1.070 ( -5.331 3.762 8.762) 10.925 1.212 ( -2.294 3.159 -4.654) 6.075 1.353 ( -6.356 -1.457 3.729) 7.511 1.371 ( -5.393 2.472 4.116) 7.220 1.419 ( -5.201 -0.781 -3.097) 6.103 1.461 ( -4.709 3.549 -2.385) 6.360 1.517 ( -6.189 0.198 1.473) 6.364 1.545 ( -5.285 0.358 -1.477) 5.499 1.756 ( 2.283 -4.323 5.775) 7.567 1.832 ( 1.446 -3.649 -1.182) 4.099 1.958 ( -0.198 3.883 8.932) 9.741 2.140 ( 0.913 2.796 -8.807) 9.285 2.745 ( -10.856 0.132 -0.949) 10.898 2.747 ( -8.630 0.190 -1.117) 8.704 2.859 ( -2.451 1.660 -1.055) 3.143 2.863 ( -4.724 0.348 -1.643) 5.014 3.251 ( -8.226 -1.147 1.738) 8.486 3.266 ( -8.078 -0.993 0.176) 8.141 3.582 ( 0.769 -0.400 9.095) 9.136 3.588 ( -3.797 -1.628 5.401) 6.800 3.645 ( -10.489 0.858 1.011) 10.572 3.751 ( -0.914 0.228 -5.389) 5.471 3.852 ( -3.660 0.220 2.093) 4.222 3.965 ( 1.460 -2.340 -8.205) 8.656 4.035 ( 5.148 1.407 5.043) 7.342 4.122 ( 6.052 1.760 -4.564) 7.781 4.893 ( 4.166 1.060 0.444) 4.322 4.936 ( 5.069 0.145 -3.891) 6.391 8.599 ( -16.233 0.821 1.782) 16.351 8.655 ( -17.077 -0.754 -4.396) 17.650 10.124 ( 6.572 -2.652 2.633) 7.560 10.186 ( 6.811 -4.484 -3.601) 8.914 10.518 ( 9.714 3.771 3.023) 10.850 10.557 ( 10.464 1.891 -0.693) 10.656 ======================= Grid point 487 (155/172) ======================= q-point: (-0.25 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -4.235 0.355 8.214) 9.249 0.914 ( -1.075 -3.593 -3.010) 4.809 0.953 ( -4.891 3.912 9.882) 11.699 1.138 ( -3.808 3.023 -8.891) 10.133 1.243 ( -3.270 4.847 4.232) 7.218 1.268 ( -3.472 0.824 2.051) 4.116 1.325 ( -3.857 4.546 -1.579) 6.167 1.334 ( -4.686 1.610 -3.038) 5.812 1.436 ( -2.129 -0.062 5.024) 5.457 1.484 ( -1.425 -1.379 -0.901) 2.178 1.830 ( 1.461 -2.737 7.434) 8.056 1.863 ( 1.435 -5.159 4.161) 6.782 1.997 ( 3.914 -1.333 3.481) 5.405 2.150 ( 1.429 4.408 -10.069) 11.084 2.508 ( -10.572 0.148 0.033) 10.573 2.528 ( -10.244 -0.164 -2.129) 10.465 2.838 ( 0.804 4.199 -1.167) 4.431 2.849 ( 1.188 5.223 -2.099) 5.753 3.102 ( -6.380 -0.887 2.025) 6.752 3.123 ( -5.883 -0.271 -0.060) 5.889 3.423 ( -8.457 0.303 0.532) 8.479 3.440 ( -8.690 0.617 -0.888) 8.757 3.601 ( 0.602 -0.054 9.642) 9.661 3.747 ( 0.501 0.875 -5.294) 5.389 3.864 ( 1.455 -5.875 7.427) 9.580 4.024 ( 2.212 -4.021 -9.223) 10.302 4.123 ( 4.011 4.596 5.202) 8.017 4.220 ( 4.204 4.800 -5.005) 8.110 4.971 ( 3.649 1.678 1.648) 4.341 5.031 ( 4.011 0.457 -4.429) 5.993 8.294 ( -12.558 0.264 0.821) 12.588 8.321 ( -14.757 -0.370 -2.235) 14.930 10.241 ( 3.792 -4.048 3.829) 6.740 10.317 ( 4.093 -6.606 -3.519) 8.531 10.671 ( 6.701 6.829 3.088) 10.054 10.739 ( 7.856 3.909 -3.304) 9.377 ======================= Grid point 488 (156/172) ======================= q-point: (-0.17 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 0.000 1.811 11.476) 11.618 0.876 ( 0.000 4.089 11.934) 12.616 0.924 ( -0.000 -5.390 -5.937) 8.019 1.080 ( 0.000 2.067 -9.719) 9.937 1.190 ( 0.000 8.629 3.149) 9.185 1.244 ( -0.000 -3.550 2.638) 4.423 1.246 ( 0.000 10.425 -2.598) 10.744 1.292 ( -0.000 -2.092 -2.408) 3.189 1.421 ( -0.000 -1.217 6.334) 6.450 1.479 ( -0.000 -1.109 -0.958) 1.465 1.835 ( 0.000 0.483 8.975) 8.988 1.918 ( -0.000 -7.661 2.714) 8.127 2.058 ( -0.000 -2.357 0.791) 2.486 2.154 ( 0.000 4.185 -9.378) 10.269 2.385 ( 0.000 0.931 0.795) 1.224 2.413 ( 0.000 0.319 -2.180) 2.203 2.832 ( 0.000 5.080 -1.468) 5.288 2.843 ( 0.000 6.332 -2.376) 6.763 3.033 ( -0.000 -0.420 2.504) 2.539 3.060 ( -0.000 -0.174 -0.302) 0.348 3.332 ( -0.000 -0.160 -0.093) 0.185 3.341 ( 0.000 0.268 -0.938) 0.975 3.607 ( 0.000 0.042 9.438) 9.438 3.750 ( 0.000 0.757 -5.009) 5.066 3.907 ( -0.000 -7.367 7.363) 10.415 4.063 ( -0.000 -4.605 -9.077) 10.178 4.145 ( 0.000 6.169 4.789) 7.809 4.242 ( 0.000 6.123 -5.299) 8.097 5.006 ( 0.000 1.725 2.126) 2.738 5.072 ( 0.000 0.561 -4.708) 4.741 8.157 ( -0.000 -0.060 0.106) 0.122 8.158 ( -0.000 -0.078 -0.035) 0.085 10.296 ( -0.000 -4.518 4.617) 6.459 10.387 ( -0.000 -7.850 -4.032) 8.825 10.712 ( 0.000 8.272 3.639) 9.037 10.807 ( 0.000 4.636 -5.405) 7.121 ======================= Grid point 493 (157/172) ======================= q-point: ( 0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -0.860 0.000 1.204) 1.480 0.878 ( -0.012 0.000 1.124) 1.124 1.319 ( -1.429 0.000 1.117) 1.814 1.331 ( -0.505 0.000 -0.205) 0.545 1.680 ( 2.021 -0.000 2.400) 3.137 1.718 ( 0.372 -0.000 0.691) 0.785 1.735 ( 0.412 -0.000 3.529) 3.553 1.788 ( -0.903 0.000 -1.177) 1.484 1.832 ( 1.624 -0.000 3.600) 3.949 1.886 ( -1.950 0.000 1.360) 2.377 1.903 ( 0.562 -0.000 0.031) 0.563 1.910 ( 0.271 -0.000 5.410) 5.417 1.991 ( -1.705 0.000 -5.692) 5.942 2.047 ( -0.082 0.000 -7.630) 7.630 3.088 ( 1.711 -0.000 0.712) 1.853 3.109 ( -3.241 0.000 0.685) 3.313 3.111 ( 2.658 -0.000 -1.771) 3.194 3.135 ( -3.930 0.000 -2.041) 4.428 3.469 ( -0.652 0.000 9.115) 9.138 3.481 ( 0.053 -0.000 7.528) 7.528 3.526 ( 0.014 -0.000 3.025) 3.025 3.570 ( -0.402 0.000 -1.566) 1.616 3.743 ( -0.074 0.000 1.891) 1.892 3.748 ( -0.574 0.000 1.386) 1.501 4.044 ( 1.803 -0.000 -3.982) 4.371 4.054 ( -3.514 0.000 -5.260) 6.325 4.066 ( -1.573 0.000 1.862) 2.437 4.144 ( 3.516 -0.000 -5.682) 6.682 5.115 ( -0.336 0.000 -0.144) 0.366 5.124 ( -0.175 0.000 -1.080) 1.094 9.355 ( -1.412 0.000 -0.621) 1.543 9.364 ( 0.292 -0.000 -1.586) 1.613 9.503 ( -2.238 0.000 0.168) 2.245 9.513 ( 1.827 -0.000 -0.890) 2.032 10.162 ( -0.221 0.000 2.238) 2.249 10.179 ( -0.120 0.000 0.397) 0.415 ======================= Grid point 494 (158/172) ======================= q-point: (-0.67 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 1.574 -0.144 2.008) 2.556 0.903 ( 2.349 -0.092 0.287) 2.369 1.284 ( -1.943 -0.360 1.579) 2.529 1.307 ( -1.872 -0.273 -0.806) 2.056 1.657 ( -5.702 0.077 2.986) 6.437 1.680 ( -4.658 -0.048 -0.694) 4.710 1.730 ( -0.940 0.124 1.790) 2.026 1.742 ( 0.349 0.641 0.610) 0.951 1.808 ( -4.434 0.517 1.321) 4.655 1.816 ( -4.771 -1.052 0.869) 4.962 1.905 ( -0.716 0.495 4.046) 4.138 1.912 ( -0.536 0.193 1.484) 1.589 1.992 ( 1.413 -0.505 -3.159) 3.497 2.058 ( 1.143 -0.213 -7.003) 7.099 3.002 ( -5.555 -0.112 1.121) 5.668 3.038 ( -5.099 0.054 -2.748) 5.792 3.133 ( 0.901 -0.469 0.415) 1.097 3.158 ( 1.298 -0.486 -2.189) 2.591 3.464 ( -0.006 -0.155 9.279) 9.280 3.494 ( 1.126 -0.015 7.232) 7.319 3.534 ( 0.589 0.033 2.060) 2.143 3.571 ( 0.200 -0.100 -0.680) 0.716 3.725 ( -1.424 -0.119 2.272) 2.684 3.738 ( -0.115 -0.213 1.088) 1.115 3.938 ( -5.439 0.293 -3.623) 6.541 3.953 ( -5.166 -0.618 -5.634) 7.669 4.168 ( 4.781 0.118 0.805) 4.849 4.233 ( 3.909 0.363 -5.302) 6.597 5.033 ( -7.276 -0.129 -0.294) 7.284 5.044 ( -7.261 -0.065 -1.465) 7.408 9.264 ( -5.708 -0.100 -0.822) 5.768 9.269 ( -6.742 -0.146 -1.214) 6.852 9.591 ( 7.688 -0.163 1.482) 7.832 9.637 ( 8.197 -0.110 -3.250) 8.818 10.175 ( 1.545 -0.080 2.315) 2.784 10.193 ( 1.555 -0.032 0.409) 1.608 ======================= Grid point 495 (159/172) ======================= q-point: (-0.58 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 2.246 -0.134 2.876) 3.651 0.955 ( 2.199 0.028 0.346) 2.227 1.249 ( -1.929 -1.318 2.099) 3.141 1.265 ( -2.187 -0.670 0.578) 2.359 1.534 ( -5.898 -0.289 2.112) 6.271 1.565 ( -5.957 -0.954 -1.833) 6.305 1.676 ( -7.082 0.033 0.272) 7.087 1.677 ( -5.270 1.314 2.133) 5.835 1.707 ( -3.917 0.242 1.894) 4.358 1.769 ( -0.588 -0.604 -2.952) 3.070 1.859 ( -4.032 0.953 2.013) 4.607 1.865 ( -3.476 1.034 2.186) 4.235 2.022 ( 0.980 0.021 0.800) 1.265 2.094 ( 2.099 -0.490 -5.540) 5.944 2.895 ( -4.854 -0.459 1.292) 5.044 2.936 ( -4.816 -0.075 -3.102) 5.729 3.119 ( -3.096 -1.107 0.555) 3.334 3.151 ( -2.948 -1.275 -2.856) 4.298 3.458 ( -1.327 -0.521 7.703) 7.834 3.518 ( -3.087 -0.397 -0.691) 3.188 3.520 ( 1.263 -0.197 9.140) 9.229 3.564 ( -0.871 -0.219 2.372) 2.537 3.714 ( 0.472 -0.055 3.169) 3.205 3.762 ( 2.393 -0.689 -1.207) 2.768 3.857 ( -2.039 -0.253 -3.277) 3.868 3.889 ( -0.257 -0.101 -6.230) 6.236 4.204 ( -2.400 0.428 1.016) 2.641 4.257 ( -2.490 0.845 -4.228) 4.979 4.882 ( -5.943 -0.342 -1.285) 6.090 4.887 ( -6.540 -0.295 -1.874) 6.809 9.119 ( -8.567 0.236 0.160) 8.571 9.139 ( -7.599 -0.532 -2.008) 7.878 9.766 ( 9.384 -0.531 1.107) 9.464 9.814 ( 9.180 -0.761 -3.869) 9.991 10.230 ( 4.192 -0.183 2.554) 4.912 10.248 ( 4.244 -0.018 0.654) 4.294 ======================= Grid point 496 (160/172) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -0.493 0.069 2.316) 2.369 0.964 ( -1.698 -0.251 1.006) 1.990 1.196 ( -3.551 1.419 5.471) 6.675 1.245 ( -0.506 -1.378 1.500) 2.099 1.440 ( -4.356 -1.629 0.662) 4.697 1.463 ( -4.504 -1.876 -0.877) 4.957 1.538 ( -6.603 0.890 -0.091) 6.663 1.549 ( -5.599 -0.119 0.468) 5.620 1.633 ( -3.969 0.764 3.014) 5.042 1.713 ( -5.208 3.677 -4.116) 7.589 1.755 ( -5.151 -0.892 3.371) 6.220 1.801 ( -1.960 -1.744 -1.295) 2.926 2.018 ( -0.997 2.204 5.351) 5.872 2.134 ( 1.729 0.585 -6.053) 6.322 2.826 ( -2.141 0.065 0.785) 2.282 2.860 ( -2.652 0.631 -2.874) 3.962 3.002 ( -8.875 -1.350 0.212) 8.979 3.030 ( -9.662 -1.891 -2.618) 10.187 3.389 ( -5.783 -0.619 2.572) 6.359 3.408 ( -7.456 -1.294 0.240) 7.571 3.559 ( 2.163 -1.102 9.378) 9.686 3.561 ( 0.596 -0.285 8.039) 8.066 3.726 ( 0.543 0.178 -0.241) 0.620 3.784 ( -1.154 -1.611 -6.802) 7.085 3.900 ( 5.379 1.073 2.706) 6.117 3.955 ( 5.182 1.574 -4.319) 6.927 4.061 ( -9.570 -0.281 0.795) 9.607 4.113 ( -9.663 0.221 -4.479) 10.653 4.837 ( 1.332 0.123 -1.201) 1.798 4.852 ( 2.361 -0.314 -2.792) 3.670 8.906 ( -12.863 0.777 1.005) 12.926 8.945 ( -12.441 -0.796 -3.163) 12.861 9.953 ( 8.680 -0.918 1.020) 8.788 9.998 ( 8.450 -1.984 -3.590) 9.393 10.352 ( 8.220 0.560 2.728) 8.678 10.372 ( 8.318 0.244 0.675) 8.349 ======================= Grid point 497 (161/172) ======================= q-point: (-0.42 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -4.817 -0.832 3.066) 5.770 0.923 ( -2.478 -1.515 -0.298) 2.919 1.103 ( -4.349 5.085 8.783) 11.041 1.227 ( -1.913 0.667 -1.313) 2.415 1.338 ( -6.130 -1.624 -0.138) 6.343 1.385 ( -4.585 -0.308 2.889) 5.428 1.415 ( -5.361 0.469 -0.191) 5.385 1.474 ( -2.692 -0.077 -0.910) 2.843 1.525 ( -5.631 2.814 1.960) 6.593 1.573 ( -5.644 6.371 -2.633) 8.909 1.721 ( 0.930 -5.238 5.126) 7.388 1.800 ( 0.386 -5.182 -2.329) 5.694 1.983 ( -0.894 2.959 9.418) 9.912 2.159 ( 1.538 2.355 -8.258) 8.724 2.748 ( -11.108 0.383 -0.956) 11.156 2.750 ( -9.965 0.832 -1.236) 10.076 2.863 ( -2.524 -0.247 -1.129) 2.776 2.870 ( -0.643 1.022 -1.703) 2.088 3.243 ( -8.342 -0.989 1.789) 8.589 3.259 ( -7.674 -0.851 0.115) 7.722 3.578 ( -1.392 -0.858 7.280) 7.461 3.580 ( -0.449 -0.552 8.254) 8.284 3.651 ( -10.547 0.834 1.045) 10.631 3.750 ( 0.207 -0.349 -4.321) 4.340 3.856 ( -6.855 0.744 -0.180) 6.897 3.949 ( 0.463 -2.044 -7.957) 8.229 4.044 ( 6.372 1.043 5.310) 8.359 4.133 ( 7.235 1.354 -4.522) 8.639 4.901 ( 4.469 0.963 0.107) 4.573 4.937 ( 5.196 0.073 -3.568) 6.304 8.605 ( -16.329 0.920 1.220) 16.400 8.649 ( -17.029 -0.868 -3.546) 17.416 10.107 ( 6.186 -1.873 1.947) 6.750 10.156 ( 6.265 -3.637 -2.989) 7.837 10.543 ( 10.710 3.008 2.298) 11.359 10.569 ( 11.035 1.241 -0.131) 11.106 ======================= Grid point 498 (162/172) ======================= q-point: (-0.33 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -3.517 0.169 6.109) 7.051 0.888 ( -1.449 -3.055 -2.910) 4.461 0.990 ( -4.677 5.851 9.694) 12.251 1.158 ( -4.022 2.160 -6.846) 8.229 1.236 ( -4.133 -3.317 3.019) 6.099 1.297 ( -3.383 1.692 1.689) 4.142 1.318 ( -4.144 0.016 0.490) 4.173 1.392 ( -3.092 8.376 -2.537) 9.282 1.449 ( -1.241 3.117 3.884) 5.132 1.484 ( -1.398 2.692 0.139) 3.036 1.792 ( 2.819 -6.927 5.047) 9.022 1.831 ( 0.347 -4.482 2.164) 4.989 1.987 ( 1.906 -1.108 8.263) 8.552 2.181 ( 1.675 3.815 -10.031) 10.861 2.510 ( -10.215 0.441 -0.046) 10.224 2.526 ( -10.019 -0.159 -1.838) 10.187 2.869 ( 1.834 4.261 -0.999) 4.745 2.886 ( 2.199 4.806 -2.539) 5.864 3.096 ( -6.151 -0.887 2.224) 6.600 3.120 ( -5.785 -0.339 -0.320) 5.803 3.425 ( -8.702 0.466 0.746) 8.747 3.444 ( -8.656 0.641 -0.793) 8.716 3.601 ( 0.648 -0.079 9.937) 9.958 3.754 ( 0.468 0.936 -5.881) 5.974 3.825 ( 0.725 -4.747 8.161) 9.469 3.997 ( 2.040 -3.316 -9.557) 10.320 4.153 ( 4.646 3.487 5.493) 7.995 4.251 ( 4.847 3.843 -4.797) 7.827 4.984 ( 3.835 1.734 1.200) 4.377 5.034 ( 4.098 0.386 -3.922) 5.686 8.296 ( -12.791 0.343 0.603) 12.810 8.318 ( -14.572 -0.453 -1.829) 14.693 10.214 ( 3.460 -3.317 3.123) 5.721 10.272 ( 3.630 -5.433 -2.675) 7.060 10.717 ( 7.382 5.655 2.259) 9.570 10.766 ( 8.385 3.218 -2.401) 9.297 ======================= Grid point 499 (163/172) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 0.000 1.476 8.449) 8.577 0.889 ( -0.000 -4.165 -4.510) 6.139 0.911 ( 0.000 5.633 10.816) 12.195 1.097 ( 0.000 2.732 -8.824) 9.238 1.213 ( -0.000 -4.822 3.209) 5.792 1.248 ( 0.000 6.708 4.559) 8.110 1.273 ( -0.000 -2.960 -3.066) 4.262 1.326 ( 0.000 11.006 -3.150) 11.448 1.426 ( 0.000 3.206 6.514) 7.260 1.473 ( -0.000 -0.321 -0.057) 0.326 1.834 ( -0.000 -1.198 6.479) 6.588 1.861 ( -0.000 -7.852 3.428) 8.568 2.031 ( -0.000 -4.425 4.693) 6.450 2.187 ( 0.000 4.379 -10.036) 10.950 2.393 ( 0.000 1.140 0.518) 1.252 2.415 ( 0.000 0.298 -1.892) 1.915 2.873 ( 0.000 5.987 -1.241) 6.115 2.892 ( 0.000 6.938 -3.029) 7.571 3.030 ( -0.000 -0.476 2.559) 2.603 3.059 ( -0.000 -0.216 -0.428) 0.480 3.331 ( -0.000 -0.116 0.077) 0.139 3.343 ( 0.000 0.241 -1.060) 1.087 3.608 ( 0.000 0.010 9.698) 9.698 3.757 ( 0.000 0.926 -5.496) 5.573 3.857 ( -0.000 -6.233 8.641) 10.654 4.032 ( -0.000 -3.904 -9.594) 10.358 4.186 ( 0.000 4.960 5.015) 7.053 4.284 ( 0.000 5.303 -5.019) 7.301 5.020 ( 0.000 2.029 1.691) 2.641 5.077 ( 0.000 0.588 -4.170) 4.211 8.156 ( -0.000 -0.068 0.087) 0.110 8.157 ( -0.000 -0.091 -0.038) 0.099 10.264 ( -0.000 -4.286 3.850) 5.761 10.333 ( -0.000 -6.775 -2.884) 7.363 10.770 ( 0.000 7.308 2.645) 7.772 10.841 ( 0.000 4.431 -4.312) 6.183 ======================= Grid point 506 (164/172) ======================= q-point: (-0.67 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 2.313 -0.000 2.911) 3.718 0.955 ( 2.253 -0.000 0.328) 2.277 1.244 ( -1.931 0.000 2.236) 2.954 1.263 ( -2.170 0.000 0.490) 2.225 1.533 ( -6.045 0.000 1.859) 6.325 1.561 ( -6.049 0.000 -1.843) 6.324 1.675 ( -7.290 0.000 0.521) 7.309 1.683 ( -5.001 0.000 2.162) 5.448 1.708 ( -4.513 0.000 1.456) 4.742 1.766 ( 0.100 -0.000 -2.668) 2.670 1.863 ( -4.459 0.000 2.163) 4.956 1.868 ( -3.263 0.000 2.242) 3.959 2.023 ( 1.307 -0.000 0.557) 1.421 2.092 ( 2.203 -0.000 -5.570) 5.990 2.894 ( -4.848 0.000 1.324) 5.026 2.936 ( -4.796 0.000 -3.221) 5.777 3.114 ( -3.102 0.000 0.486) 3.140 3.147 ( -2.981 0.000 -2.855) 4.128 3.456 ( -1.375 0.000 7.699) 7.821 3.517 ( -2.634 0.000 -0.482) 2.677 3.519 ( 0.616 -0.000 8.843) 8.864 3.563 ( -0.846 0.000 2.383) 2.529 3.713 ( 0.568 -0.000 3.001) 3.055 3.759 ( 2.268 -0.000 -1.164) 2.549 3.856 ( -2.006 0.000 -3.156) 3.740 3.888 ( -0.103 0.000 -6.237) 6.238 4.206 ( -2.399 0.000 1.076) 2.629 4.260 ( -2.490 0.000 -4.319) 4.986 4.880 ( -5.911 0.000 -1.297) 6.051 4.886 ( -6.568 0.000 -1.903) 6.838 9.120 ( -8.491 0.000 -0.007) 8.491 9.137 ( -7.615 0.000 -1.849) 7.836 9.764 ( 9.361 -0.000 1.002) 9.415 9.811 ( 9.070 -0.000 -3.876) 9.864 10.230 ( 4.221 -0.000 2.573) 4.944 10.248 ( 4.264 -0.000 0.609) 4.307 ======================= Grid point 508 (165/172) ======================= q-point: (-0.58 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -0.508 0.035 2.276) 2.332 0.962 ( -2.068 -0.117 1.137) 2.363 1.207 ( -1.940 1.275 5.083) 5.588 1.234 ( -0.690 -1.201 3.158) 3.448 1.432 ( -4.239 -0.539 0.209) 4.279 1.452 ( -4.910 -0.833 -2.346) 5.505 1.540 ( -5.842 -0.009 -0.159) 5.844 1.550 ( -6.667 0.193 0.230) 6.674 1.639 ( -2.997 0.665 4.470) 5.422 1.733 ( -4.854 1.210 -2.450) 5.570 1.754 ( -4.647 0.945 0.670) 4.789 1.786 ( -4.122 -2.038 -0.630) 4.641 2.029 ( -0.642 0.816 4.855) 4.965 2.137 ( 2.114 0.230 -5.755) 6.136 2.826 ( -1.677 0.086 0.842) 1.878 2.864 ( -2.168 0.324 -3.135) 3.825 2.995 ( -8.881 -0.574 0.011) 8.900 3.019 ( -9.833 -0.814 -2.488) 10.175 3.386 ( -5.565 -0.199 2.447) 6.082 3.401 ( -7.632 -0.459 0.405) 7.657 3.554 ( 2.016 -0.355 9.597) 9.813 3.560 ( 0.564 -0.103 8.031) 8.052 3.727 ( 0.668 0.139 -0.918) 1.143 3.776 ( -1.109 -0.635 -6.502) 6.627 3.904 ( 5.892 0.292 3.001) 6.619 3.963 ( 6.057 0.599 -4.268) 7.434 4.059 ( -10.228 -0.118 0.768) 10.257 4.114 ( -10.423 0.099 -4.718) 11.442 4.837 ( 1.502 0.059 -1.350) 2.020 4.850 ( 2.478 -0.130 -2.699) 3.666 8.911 ( -12.748 0.378 0.545) 12.765 8.940 ( -12.492 -0.386 -2.619) 12.769 9.949 ( 8.645 -0.291 0.618) 8.672 9.988 ( 8.181 -0.749 -3.382) 8.884 10.355 ( 8.603 0.199 2.617) 8.994 10.373 ( 8.406 0.075 0.709) 8.436 ======================= Grid point 509 (166/172) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -4.828 -0.471 2.772) 5.588 0.914 ( -2.795 -0.784 -0.212) 2.911 1.141 ( -3.560 5.076 8.339) 10.391 1.220 ( -2.177 -2.290 3.534) 4.740 1.335 ( -5.654 0.859 -3.066) 6.489 1.370 ( -4.758 -2.918 -2.133) 5.976 1.423 ( -5.340 1.096 3.006) 6.226 1.467 ( -2.402 -1.337 -0.086) 2.750 1.560 ( -4.089 6.200 3.246) 8.105 1.619 ( -4.384 4.314 -0.677) 6.188 1.686 ( -0.496 -2.807 2.280) 3.650 1.757 ( -0.752 -6.469 -3.168) 7.242 2.000 ( -1.392 1.572 9.772) 9.995 2.173 ( 1.912 1.331 -7.894) 8.230 2.750 ( -11.081 0.299 -0.832) 11.116 2.757 ( -11.882 0.878 -1.593) 12.020 2.860 ( -0.144 -0.475 -0.691) 0.851 2.875 ( 0.682 0.427 -2.122) 2.270 3.237 ( -8.417 -0.580 1.877) 8.643 3.254 ( -7.422 -0.460 0.086) 7.437 3.573 ( -1.691 -0.402 7.192) 7.399 3.577 ( 0.560 -0.302 9.004) 9.026 3.656 ( -10.664 0.548 1.061) 10.731 3.747 ( 0.858 -0.405 -3.595) 3.718 3.862 ( -8.761 0.704 -1.799) 8.972 3.937 ( -0.012 -1.287 -7.691) 7.798 4.050 ( 7.102 0.542 5.496) 8.997 4.141 ( 7.971 0.729 -4.506) 9.186 4.907 ( 4.699 0.590 -0.169) 4.739 4.937 ( 5.280 0.005 -3.300) 6.227 8.612 ( -16.412 0.745 0.631) 16.441 8.643 ( -16.982 -0.717 -2.742) 17.217 10.097 ( 5.959 -0.842 1.330) 6.164 10.135 ( 5.948 -2.125 -2.495) 6.791 10.561 ( 11.451 1.937 1.682) 11.735 10.574 ( 11.306 0.308 0.428) 11.318 ======================= Grid point 510 (167/172) ======================= q-point: (-0.42 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -3.009 0.053 4.525) 5.434 0.870 ( -1.698 -1.867 -2.477) 3.536 1.035 ( -4.430 6.515 8.679) 11.722 1.162 ( -3.666 -1.809 0.064) 4.088 1.219 ( -4.991 -0.251 -1.904) 5.348 1.283 ( -4.330 -3.273 -3.488) 6.452 1.326 ( -3.866 0.619 6.467) 7.560 1.433 ( -1.668 1.576 -3.658) 4.318 1.481 ( -0.468 7.350 5.271) 9.057 1.536 ( -1.216 9.719 0.226) 9.797 1.739 ( 2.444 -7.288 3.958) 8.646 1.790 ( 0.888 -7.044 -0.615) 7.127 1.982 ( 0.173 -0.378 12.263) 12.270 2.204 ( 1.799 2.523 -10.129) 10.592 2.514 ( -9.975 0.600 -0.284) 9.997 2.525 ( -9.881 -0.250 -1.488) 9.996 2.897 ( 2.783 3.247 -1.019) 4.396 2.916 ( 3.092 3.216 -2.724) 5.227 3.090 ( -5.975 -0.673 2.418) 6.480 3.118 ( -5.680 -0.276 -0.513) 5.710 3.429 ( -8.987 0.459 0.882) 9.042 3.449 ( -8.580 0.495 -0.649) 8.619 3.600 ( 0.675 -0.073 10.198) 10.221 3.760 ( 0.479 0.712 -6.444) 6.501 3.796 ( 0.174 -3.083 8.722) 9.253 3.976 ( 1.960 -2.234 -9.705) 10.149 4.173 ( 5.096 2.174 5.771) 8.000 4.275 ( 5.294 2.448 -4.664) 7.468 4.996 ( 4.001 1.340 0.765) 4.288 5.036 ( 4.166 0.203 -3.427) 5.399 8.299 ( -13.047 0.365 0.335) 13.056 8.314 ( -14.355 -0.448 -1.398) 14.430 10.194 ( 3.222 -1.965 2.453) 4.501 10.239 ( 3.357 -3.668 -2.068) 5.385 10.752 ( 7.850 3.892 1.679) 8.922 10.784 ( 8.795 1.855 -1.589) 9.128 ======================= Grid point 511 (168/172) ======================= q-point: (-0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 0.000 0.957 5.813) 5.891 0.863 ( -0.000 -2.833 -3.636) 4.609 0.957 ( 0.000 6.688 9.456) 11.582 1.117 ( 0.000 1.987 -6.499) 6.796 1.177 ( -0.000 -4.586 2.779) 5.363 1.249 ( -0.000 -3.593 -3.896) 5.300 1.279 ( 0.000 1.916 7.167) 7.419 1.395 ( 0.000 7.051 -4.408) 8.315 1.464 ( 0.000 5.329 4.916) 7.250 1.492 ( 0.000 7.946 2.341) 8.284 1.797 ( -0.000 -8.024 3.871) 8.909 1.820 ( -0.000 -4.341 2.405) 4.963 2.000 ( -0.000 -3.766 10.240) 10.910 2.215 ( 0.000 3.272 -10.690) 11.180 2.401 ( 0.000 1.123 0.166) 1.135 2.417 ( 0.000 0.120 -1.527) 1.531 2.915 ( 0.000 5.360 -1.146) 5.481 2.939 ( 0.000 5.686 -3.385) 6.617 3.026 ( -0.000 -0.406 2.608) 2.640 3.057 ( -0.000 -0.198 -0.548) 0.583 3.331 ( -0.000 -0.071 0.213) 0.225 3.345 ( 0.000 0.179 -1.150) 1.164 3.608 ( -0.000 -0.026 9.970) 9.970 3.763 ( 0.000 0.856 -5.993) 6.054 3.817 ( -0.000 -4.537 9.714) 10.722 4.007 ( -0.000 -2.905 -9.871) 10.289 4.217 ( 0.000 3.494 5.332) 6.375 4.318 ( 0.000 3.815 -4.818) 6.145 5.034 ( 0.000 1.826 1.215) 2.193 5.080 ( 0.000 0.421 -3.577) 3.602 8.156 ( -0.000 -0.057 0.067) 0.088 8.157 ( -0.000 -0.081 -0.040) 0.090 10.237 ( -0.000 -3.027 3.130) 4.355 10.290 ( -0.000 -5.012 -2.159) 5.457 10.817 ( 0.000 5.526 2.055) 5.896 10.869 ( 0.000 3.144 -3.270) 4.536 ======================= Grid point 520 (169/172) ======================= q-point: (-0.58 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -4.826 0.000 2.676) 5.519 0.911 ( -2.895 0.000 -0.180) 2.901 1.166 ( -3.036 0.000 7.957) 8.517 1.205 ( -2.682 0.000 5.523) 6.140 1.346 ( -4.898 0.000 -2.158) 5.353 1.351 ( -5.254 0.000 -5.033) 7.276 1.427 ( -5.576 0.000 2.990) 6.327 1.461 ( -2.234 0.000 0.337) 2.259 1.605 ( -0.640 0.000 4.185) 4.234 1.608 ( -5.348 0.000 3.755) 6.534 1.701 ( -2.039 0.000 -2.256) 3.040 1.714 ( -1.421 0.000 -4.023) 4.266 2.005 ( -1.573 0.000 9.905) 10.029 2.178 ( 2.035 -0.000 -7.768) 8.030 2.751 ( -11.181 0.000 -0.762) 11.206 2.761 ( -12.788 0.000 -1.806) 12.914 2.858 ( 1.048 -0.000 -0.469) 1.148 2.876 ( 1.169 -0.000 -2.283) 2.565 3.235 ( -8.438 0.000 1.921) 8.654 3.252 ( -7.345 0.000 0.075) 7.345 3.572 ( -1.555 0.000 7.329) 7.492 3.576 ( 0.661 -0.000 9.093) 9.117 3.658 ( -10.737 0.000 1.070) 10.790 3.745 ( 1.066 -0.000 -3.363) 3.528 3.864 ( -9.437 0.000 -2.377) 9.731 3.932 ( -0.079 0.000 -7.564) 7.565 4.052 ( 7.344 -0.000 5.564) 9.213 4.144 ( 8.220 -0.000 -4.503) 9.372 4.909 ( 4.786 -0.000 -0.279) 4.794 4.937 ( 5.308 -0.000 -3.192) 6.194 8.615 ( -16.444 0.000 0.328) 16.447 8.640 ( -16.963 0.000 -2.360) 17.126 10.094 ( 5.890 -0.000 1.059) 5.984 10.127 ( 5.841 -0.000 -2.278) 6.269 10.569 ( 12.077 -0.000 1.264) 12.143 10.574 ( 11.030 -0.000 0.833) 11.061 ======================= Grid point 522 (170/172) ======================= q-point: (-0.50 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -2.742 0.011 3.681) 4.590 0.861 ( -1.834 -0.629 -2.252) 2.972 1.082 ( -3.916 6.006 7.650) 10.485 1.133 ( -4.276 -5.086 5.189) 8.431 1.231 ( -4.942 2.863 -4.839) 7.486 1.258 ( -4.521 -3.434 -4.843) 7.462 1.328 ( -4.039 -0.023 7.342) 8.380 1.434 ( -0.939 -0.134 -2.512) 2.686 1.536 ( -0.725 5.813 5.658) 8.145 1.598 ( 0.030 5.341 0.853) 5.409 1.700 ( 1.834 -1.305 1.308) 2.603 1.733 ( 1.006 -7.924 -1.349) 8.101 1.981 ( -0.653 -0.045 14.082) 14.098 2.217 ( 1.844 0.877 -10.214) 10.416 2.518 ( -9.864 0.478 -0.615) 9.895 2.523 ( -9.820 -0.325 -1.115) 9.888 2.914 ( 3.361 1.248 -1.153) 3.766 2.932 ( 3.610 1.086 -2.711) 4.644 3.086 ( -5.886 -0.254 2.549) 6.419 3.117 ( -5.618 -0.105 -0.615) 5.653 3.432 ( -9.198 0.197 0.933) 9.247 3.451 ( -8.500 0.188 -0.533) 8.518 3.600 ( 0.683 -0.029 10.353) 10.375 3.764 ( 0.600 0.221 -6.528) 6.560 3.781 ( -0.234 -1.026 8.759) 8.822 3.965 ( 1.932 -0.798 -9.738) 9.960 4.184 ( 5.336 0.739 5.931) 8.012 4.287 ( 5.521 0.837 -4.593) 7.230 5.003 ( 4.102 0.518 0.477) 4.162 5.037 ( 4.199 0.045 -3.101) 5.220 8.301 ( -13.248 0.203 0.095) 13.250 8.312 ( -14.175 -0.234 -1.065) 14.217 10.185 ( 3.096 -0.592 1.991) 3.728 10.220 ( 3.236 -1.343 -1.679) 3.885 10.772 ( 8.034 1.519 1.298) 8.278 10.792 ( 9.072 0.462 -1.042) 9.143 ======================= Grid point 523 (171/172) ======================= q-point: (-0.42 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 0.000 0.488 4.052) 4.081 0.847 ( -0.000 -1.467 -3.140) 3.466 1.008 ( 0.000 7.204 7.944) 10.724 1.107 ( -0.000 -5.101 2.795) 5.817 1.166 ( 0.000 2.025 -4.270) 4.726 1.222 ( -0.000 -3.846 -4.835) 6.178 1.284 ( 0.000 0.062 9.033) 9.033 1.421 ( 0.000 1.087 -4.963) 5.080 1.512 ( 0.000 7.327 6.395) 9.725 1.568 ( 0.000 10.678 1.237) 10.749 1.742 ( -0.000 -6.506 3.185) 7.244 1.776 ( -0.000 -7.398 -0.166) 7.399 1.980 ( -0.000 -1.694 14.682) 14.779 2.233 ( 0.000 1.715 -11.171) 11.301 2.408 ( 0.000 0.903 -0.236) 0.933 2.417 ( -0.000 -0.187 -1.114) 1.129 2.948 ( 0.000 3.209 -1.208) 3.429 2.972 ( 0.000 3.130 -3.443) 4.653 3.024 ( -0.000 -0.232 2.641) 2.651 3.056 ( -0.000 -0.119 -0.632) 0.643 3.330 ( -0.000 -0.033 0.300) 0.302 3.346 ( 0.000 0.095 -1.204) 1.208 3.607 ( -0.000 -0.030 10.179) 10.179 3.768 ( 0.000 0.517 -6.284) 6.305 3.792 ( -0.000 -2.402 10.346) 10.621 3.991 ( -0.000 -1.578 -9.959) 10.084 4.236 ( 0.000 1.816 5.558) 5.847 4.339 ( 0.000 1.975 -4.670) 5.070 5.045 ( 0.000 1.115 0.815) 1.381 5.082 ( 0.000 0.174 -3.083) 3.088 8.155 ( -0.000 -0.032 0.051) 0.060 8.156 ( -0.000 -0.048 -0.040) 0.062 10.220 ( -0.000 -1.434 2.542) 2.918 10.261 ( -0.000 -2.750 -1.648) 3.206 10.849 ( 0.000 3.110 1.633) 3.512 10.886 ( 0.000 1.457 -2.450) 2.851 ======================= Grid point 535 (172/172) ======================= q-point: ( 0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 0.000 0.000 3.428) 3.428 0.842 ( 0.000 0.000 -2.972) 2.972 1.060 ( 0.000 0.000 5.787) 5.787 1.060 ( -0.000 -0.000 6.650) 6.650 1.183 ( 0.000 0.000 -5.060) 5.060 1.199 ( -0.000 -0.000 -5.818) 5.818 1.284 ( -0.000 -0.000 9.622) 9.622 1.424 ( 0.000 0.000 -4.504) 4.504 1.545 ( 0.000 0.000 7.032) 7.032 1.616 ( -0.000 -0.000 0.694) 0.694 1.721 ( 0.000 0.000 1.583) 1.583 1.732 ( -0.000 -0.000 -0.041) 0.041 1.974 ( 0.000 0.000 16.040) 16.040 2.240 ( -0.000 -0.000 -11.345) 11.345 2.413 ( 0.000 0.000 -0.609) 0.609 2.415 ( -0.000 -0.000 -0.737) 0.737 2.960 ( 0.000 0.000 -1.273) 1.273 2.984 ( 0.000 0.000 -3.413) 3.413 3.023 ( 0.000 0.000 2.652) 2.652 3.055 ( 0.000 0.000 -0.662) 0.662 3.330 ( 0.000 0.000 0.330) 0.330 3.346 ( 0.000 0.000 -1.222) 1.222 3.607 ( 0.000 0.000 10.258) 10.258 3.770 ( -0.000 -0.000 -6.185) 6.185 3.783 ( -0.000 -0.000 10.357) 10.357 3.985 ( 0.000 0.000 -9.971) 9.971 4.243 ( 0.000 0.000 5.637) 5.637 4.346 ( -0.000 -0.000 -4.612) 4.612 5.049 ( 0.000 0.000 0.648) 0.648 5.083 ( 0.000 0.000 -2.881) 2.881 8.155 ( -0.000 -0.000 0.044) 0.044 8.156 ( 0.000 0.000 -0.039) 0.039 10.215 ( 0.000 0.000 2.294) 2.294 10.251 ( -0.000 -0.000 -1.439) 1.439 10.860 ( 0.000 0.000 1.457) 1.457 10.891 ( -0.000 -0.000 -2.122) 2.122 =================== 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 3/36288 10.0 22.576 38.357 16.575 0.000 0.000 0.000 3/36288 20.0 6.542 7.314 4.579 0.000 0.000 0.000 3/36288 30.0 3.613 3.613 2.571 0.000 0.000 0.000 3/36288 40.0 2.464 2.333 1.791 0.000 0.000 0.000 3/36288 50.0 1.881 1.713 1.392 0.000 0.000 0.000 3/36288 60.0 1.533 1.355 1.148 0.000 0.000 0.000 3/36288 70.0 1.301 1.123 0.982 0.000 0.000 0.000 3/36288 80.0 1.136 0.960 0.860 0.000 0.000 0.000 3/36288 90.0 1.012 0.840 0.766 0.000 0.000 0.000 3/36288 100.0 0.915 0.747 0.691 0.000 0.000 0.000 3/36288 110.0 0.836 0.674 0.630 0.000 0.000 0.000 3/36288 120.0 0.772 0.614 0.579 0.000 0.000 0.000 3/36288 130.0 0.717 0.564 0.536 0.000 0.000 0.000 3/36288 140.0 0.671 0.522 0.499 0.000 0.000 0.000 3/36288 150.0 0.630 0.486 0.467 0.000 0.000 0.000 3/36288 160.0 0.595 0.454 0.439 0.000 0.000 0.000 3/36288 170.0 0.563 0.427 0.414 0.000 0.000 0.000 3/36288 180.0 0.535 0.403 0.391 0.000 0.000 0.000 3/36288 190.0 0.509 0.381 0.371 0.000 0.000 0.000 3/36288 200.0 0.486 0.362 0.353 0.000 0.000 0.000 3/36288 210.0 0.465 0.344 0.337 0.000 0.000 0.000 3/36288 220.0 0.446 0.328 0.322 0.000 0.000 0.000 3/36288 230.0 0.429 0.314 0.309 0.000 0.000 0.000 3/36288 240.0 0.412 0.301 0.296 0.000 0.000 0.000 3/36288 250.0 0.397 0.289 0.285 0.000 0.000 0.000 3/36288 260.0 0.383 0.278 0.274 0.000 0.000 0.000 3/36288 270.0 0.370 0.267 0.264 0.000 0.000 0.000 3/36288 280.0 0.358 0.258 0.255 0.000 0.000 0.000 3/36288 290.0 0.346 0.249 0.246 0.000 0.000 0.000 3/36288 300.0 0.336 0.241 0.238 0.000 0.000 0.000 3/36288 310.0 0.326 0.233 0.231 0.000 0.000 0.000 3/36288 320.0 0.316 0.225 0.224 0.000 0.000 0.000 3/36288 330.0 0.307 0.219 0.217 0.000 0.000 0.000 3/36288 340.0 0.299 0.212 0.211 0.000 0.000 0.000 3/36288 350.0 0.291 0.206 0.205 0.000 0.000 0.000 3/36288 360.0 0.283 0.200 0.199 0.000 0.000 0.000 3/36288 370.0 0.276 0.195 0.194 0.000 0.000 0.000 3/36288 380.0 0.269 0.190 0.189 0.000 0.000 0.000 3/36288 390.0 0.263 0.185 0.184 0.000 0.000 0.000 3/36288 400.0 0.257 0.180 0.180 0.000 0.000 0.000 3/36288 410.0 0.251 0.176 0.175 0.000 0.000 0.000 3/36288 420.0 0.245 0.172 0.171 0.000 0.000 0.000 3/36288 430.0 0.240 0.168 0.167 0.000 0.000 0.000 3/36288 440.0 0.234 0.164 0.164 0.000 0.000 0.000 3/36288 450.0 0.229 0.160 0.160 0.000 0.000 0.000 3/36288 460.0 0.225 0.157 0.157 0.000 0.000 0.000 3/36288 470.0 0.220 0.154 0.153 0.000 0.000 0.000 3/36288 480.0 0.216 0.150 0.150 0.000 0.000 0.000 3/36288 490.0 0.212 0.147 0.147 0.000 0.000 0.000 3/36288 500.0 0.207 0.144 0.144 0.000 0.000 0.000 3/36288 510.0 0.204 0.142 0.142 0.000 0.000 0.000 3/36288 520.0 0.200 0.139 0.139 0.000 0.000 0.000 3/36288 530.0 0.196 0.136 0.136 0.000 0.000 0.000 3/36288 540.0 0.193 0.134 0.134 0.000 0.000 0.000 3/36288 550.0 0.189 0.131 0.132 0.000 0.000 0.000 3/36288 560.0 0.186 0.129 0.129 0.000 0.000 0.000 3/36288 570.0 0.183 0.127 0.127 0.000 0.000 0.000 3/36288 580.0 0.180 0.125 0.125 0.000 0.000 0.000 3/36288 590.0 0.177 0.123 0.123 0.000 0.000 0.000 3/36288 600.0 0.174 0.120 0.121 0.000 0.000 0.000 3/36288 610.0 0.171 0.119 0.119 0.000 0.000 0.000 3/36288 620.0 0.169 0.117 0.117 0.000 0.000 0.000 3/36288 630.0 0.166 0.115 0.115 0.000 0.000 0.000 3/36288 640.0 0.164 0.113 0.113 0.000 0.000 0.000 3/36288 650.0 0.161 0.111 0.112 0.000 0.000 0.000 3/36288 660.0 0.159 0.110 0.110 0.000 0.000 0.000 3/36288 670.0 0.157 0.108 0.108 0.000 0.000 0.000 3/36288 680.0 0.154 0.106 0.107 0.000 0.000 0.000 3/36288 690.0 0.152 0.105 0.105 0.000 0.000 0.000 3/36288 700.0 0.150 0.103 0.104 0.000 0.000 0.000 3/36288 710.0 0.148 0.102 0.102 0.000 0.000 0.000 3/36288 720.0 0.146 0.100 0.101 0.000 0.000 0.000 3/36288 730.0 0.144 0.099 0.100 0.000 0.000 0.000 3/36288 740.0 0.142 0.098 0.098 0.000 0.000 0.000 3/36288 750.0 0.140 0.096 0.097 0.000 0.000 0.000 3/36288 760.0 0.139 0.095 0.096 0.000 0.000 0.000 3/36288 770.0 0.137 0.094 0.094 0.000 0.000 0.000 3/36288 780.0 0.135 0.093 0.093 0.000 0.000 0.000 3/36288 790.0 0.133 0.092 0.092 0.000 0.000 0.000 3/36288 800.0 0.132 0.090 0.091 0.000 0.000 0.000 3/36288 810.0 0.130 0.089 0.090 0.000 0.000 0.000 3/36288 820.0 0.129 0.088 0.089 0.000 0.000 0.000 3/36288 830.0 0.127 0.087 0.088 0.000 0.000 0.000 3/36288 840.0 0.126 0.086 0.087 0.000 0.000 0.000 3/36288 850.0 0.124 0.085 0.086 0.000 0.000 0.000 3/36288 860.0 0.123 0.084 0.085 0.000 0.000 0.000 3/36288 870.0 0.121 0.083 0.084 0.000 0.000 0.000 3/36288 880.0 0.120 0.082 0.083 0.000 0.000 0.000 3/36288 890.0 0.119 0.081 0.082 0.000 0.000 0.000 3/36288 900.0 0.118 0.080 0.081 0.000 0.000 0.000 3/36288 910.0 0.116 0.080 0.080 0.000 0.000 0.000 3/36288 920.0 0.115 0.079 0.079 0.000 0.000 0.000 3/36288 930.0 0.114 0.078 0.078 0.000 0.000 0.000 3/36288 940.0 0.113 0.077 0.078 0.000 0.000 0.000 3/36288 950.0 0.111 0.076 0.077 0.000 0.000 0.000 3/36288 960.0 0.110 0.075 0.076 0.000 0.000 0.000 3/36288 970.0 0.109 0.075 0.075 0.000 0.000 0.000 3/36288 980.0 0.108 0.074 0.074 0.000 0.000 0.000 3/36288 990.0 0.107 0.073 0.074 0.000 0.000 0.000 3/36288 1000.0 0.106 0.072 0.073 0.000 0.000 0.000 3/36288 Thermal conductivity related properties were written into "kappa-m12127.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:24:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|