----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:40:19]------------------------- 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 2.188617655000000 -7.310986849999999 0.000000000000000 b 2.188617655000000 7.310986849999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.245222500000001 Atomic positions (fractional): *1 Cu 0.53271093501556 0.46728906498444 0.75000000000000 63.546 2 Cu 0.46728906498444 0.53271093501556 0.25000000000000 63.546 *3 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 4 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 *5 Te 0.63827131514235 0.36172868485765 0.93923361594789 127.600 *6 Te 0.07003875446494 0.92996124553506 0.25000000000000 127.600 7 Te 0.36172868485765 0.63827131514235 0.43923361594789 127.600 8 Te 0.36172868485765 0.63827131514235 0.06076638405211 127.600 9 Te 0.63827131514235 0.36172868485765 0.56076638405211 127.600 10 Te 0.92996124553506 0.07003875446494 0.75000000000000 127.600 *11 Ba 0.74998189130353 0.25001810869647 0.25000000000000 137.327 12 Ba 0.25001810869647 0.74998189130353 0.75000000000000 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.377235310000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.621973699999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.245222500000001 Atomic positions (fractional): *1 Cu 0.00000000000000 0.46728906498444 0.75000000000000 63.546 > 1 2 Cu 0.50000000000000 0.03271093501556 0.25000000000000 63.546 > 2 3 Cu 0.50000000000000 0.96728906498444 0.75000000000000 63.546 > 1 4 Cu 0.00000000000000 0.53271093501556 0.25000000000000 63.546 > 2 *5 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 3 6 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 4 7 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 3 8 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 4 *9 Te 0.00000000000000 0.36172868485765 0.93923361594789 127.600 > 5 *10 Te 0.50000000000000 0.42996124553506 0.25000000000000 127.600 > 6 11 Te 0.50000000000000 0.13827131514235 0.43923361594789 127.600 > 7 12 Te 0.50000000000000 0.13827131514235 0.06076638405211 127.600 > 8 13 Te 0.00000000000000 0.36172868485765 0.56076638405211 127.600 > 9 14 Te 0.00000000000000 0.07003875446494 0.75000000000000 127.600 > 10 15 Te 0.50000000000000 0.86172868485765 0.93923361594789 127.600 > 5 16 Te 0.00000000000000 0.92996124553506 0.25000000000000 127.600 > 6 17 Te 0.00000000000000 0.63827131514235 0.43923361594789 127.600 > 7 18 Te 0.00000000000000 0.63827131514235 0.06076638405211 127.600 > 8 19 Te 0.50000000000000 0.86172868485765 0.56076638405211 127.600 > 9 20 Te 0.50000000000000 0.57003875446494 0.75000000000000 127.600 > 10 *21 Ba 0.00000000000000 0.25001810869647 0.25000000000000 137.327 > 11 22 Ba 0.50000000000000 0.24998189130353 0.75000000000000 137.327 > 12 23 Ba 0.50000000000000 0.75001810869647 0.25000000000000 137.327 > 11 24 Ba 0.00000000000000 0.74998189130353 0.75000000000000 137.327 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.131705929999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.621973699999998 0.000000000000000 c 0.000000000000000 0.000000000000000 22.490445000000001 Atomic positions (fractional): *1 Cu 0.00000000000000 0.46728906498444 0.37500000000000 63.546 > 1 2 Cu 0.33333333333333 0.46728906498444 0.37500000000000 63.546 > 1 3 Cu 0.66666666666667 0.46728906498444 0.37500000000000 63.546 > 1 4 Cu 0.00000000000000 0.46728906498444 0.87500000000000 63.546 > 1 5 Cu 0.33333333333333 0.46728906498444 0.87500000000000 63.546 > 1 6 Cu 0.66666666666667 0.46728906498444 0.87500000000000 63.546 > 1 7 Cu 0.16666666666667 0.03271093501556 0.12500000000000 63.546 > 2 8 Cu 0.50000000000000 0.03271093501556 0.12500000000000 63.546 > 2 9 Cu 0.83333333333333 0.03271093501556 0.12500000000000 63.546 > 2 10 Cu 0.16666666666667 0.03271093501556 0.62500000000000 63.546 > 2 11 Cu 0.50000000000000 0.03271093501556 0.62500000000000 63.546 > 2 12 Cu 0.83333333333333 0.03271093501556 0.62500000000000 63.546 > 2 13 Cu 0.16666666666667 0.96728906498444 0.37500000000000 63.546 > 1 14 Cu 0.50000000000000 0.96728906498444 0.37500000000000 63.546 > 1 15 Cu 0.83333333333333 0.96728906498444 0.37500000000000 63.546 > 1 16 Cu 0.16666666666667 0.96728906498444 0.87500000000000 63.546 > 1 17 Cu 0.50000000000000 0.96728906498444 0.87500000000000 63.546 > 1 18 Cu 0.83333333333333 0.96728906498444 0.87500000000000 63.546 > 1 19 Cu 0.00000000000000 0.53271093501556 0.12500000000000 63.546 > 2 20 Cu 0.33333333333333 0.53271093501556 0.12500000000000 63.546 > 2 21 Cu 0.66666666666667 0.53271093501556 0.12500000000000 63.546 > 2 22 Cu 0.00000000000000 0.53271093501556 0.62500000000000 63.546 > 2 23 Cu 0.33333333333333 0.53271093501556 0.62500000000000 63.546 > 2 24 Cu 0.66666666666667 0.53271093501556 0.62500000000000 63.546 > 2 *25 Y 0.00000000000000 0.00000000000000 0.25000000000000 88.906 > 3 26 Y 0.33333333333333 0.00000000000000 0.25000000000000 88.906 > 3 27 Y 0.66666666666667 0.00000000000000 0.25000000000000 88.906 > 3 28 Y 0.00000000000000 0.00000000000000 0.75000000000000 88.906 > 3 29 Y 0.33333333333333 0.00000000000000 0.75000000000000 88.906 > 3 30 Y 0.66666666666667 0.00000000000000 0.75000000000000 88.906 > 3 31 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 4 32 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 4 33 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 4 34 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 4 35 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 4 36 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 4 37 Y 0.16666666666667 0.50000000000000 0.25000000000000 88.906 > 3 38 Y 0.50000000000000 0.50000000000000 0.25000000000000 88.906 > 3 39 Y 0.83333333333333 0.50000000000000 0.25000000000000 88.906 > 3 40 Y 0.16666666666667 0.50000000000000 0.75000000000000 88.906 > 3 41 Y 0.50000000000000 0.50000000000000 0.75000000000000 88.906 > 3 42 Y 0.83333333333333 0.50000000000000 0.75000000000000 88.906 > 3 43 Y 0.16666666666667 0.50000000000000 0.00000000000000 88.906 > 4 44 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 4 45 Y 0.83333333333333 0.50000000000000 0.00000000000000 88.906 > 4 46 Y 0.16666666666667 0.50000000000000 0.50000000000000 88.906 > 4 47 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 4 48 Y 0.83333333333333 0.50000000000000 0.50000000000000 88.906 > 4 *49 Te 0.00000000000000 0.36172868485765 0.46961680797395 127.600 > 5 50 Te 0.33333333333333 0.36172868485765 0.46961680797395 127.600 > 5 51 Te 0.66666666666667 0.36172868485765 0.46961680797395 127.600 > 5 52 Te 0.00000000000000 0.36172868485765 0.96961680797395 127.600 > 5 53 Te 0.33333333333333 0.36172868485765 0.96961680797395 127.600 > 5 54 Te 0.66666666666667 0.36172868485765 0.96961680797395 127.600 > 5 *55 Te 0.16666666666667 0.42996124553506 0.12500000000000 127.600 > 6 56 Te 0.50000000000000 0.42996124553506 0.12500000000000 127.600 > 6 57 Te 0.83333333333333 0.42996124553506 0.12500000000000 127.600 > 6 58 Te 0.16666666666667 0.42996124553506 0.62500000000000 127.600 > 6 59 Te 0.50000000000000 0.42996124553506 0.62500000000000 127.600 > 6 60 Te 0.83333333333333 0.42996124553506 0.62500000000000 127.600 > 6 61 Te 0.16666666666667 0.13827131514235 0.21961680797395 127.600 > 7 62 Te 0.50000000000000 0.13827131514235 0.21961680797395 127.600 > 7 63 Te 0.83333333333333 0.13827131514235 0.21961680797395 127.600 > 7 64 Te 0.16666666666667 0.13827131514235 0.71961680797395 127.600 > 7 65 Te 0.50000000000000 0.13827131514235 0.71961680797395 127.600 > 7 66 Te 0.83333333333333 0.13827131514235 0.71961680797395 127.600 > 7 67 Te 0.16666666666667 0.13827131514235 0.03038319202605 127.600 > 8 68 Te 0.50000000000000 0.13827131514235 0.03038319202605 127.600 > 8 69 Te 0.83333333333333 0.13827131514235 0.03038319202605 127.600 > 8 70 Te 0.16666666666667 0.13827131514235 0.53038319202605 127.600 > 8 71 Te 0.50000000000000 0.13827131514235 0.53038319202605 127.600 > 8 72 Te 0.83333333333333 0.13827131514235 0.53038319202605 127.600 > 8 73 Te 0.00000000000000 0.36172868485765 0.28038319202605 127.600 > 9 74 Te 0.33333333333333 0.36172868485765 0.28038319202605 127.600 > 9 75 Te 0.66666666666667 0.36172868485765 0.28038319202605 127.600 > 9 76 Te 0.00000000000000 0.36172868485765 0.78038319202605 127.600 > 9 77 Te 0.33333333333333 0.36172868485765 0.78038319202605 127.600 > 9 78 Te 0.66666666666667 0.36172868485765 0.78038319202605 127.600 > 9 79 Te 0.00000000000000 0.07003875446494 0.37500000000000 127.600 > 10 80 Te 0.33333333333333 0.07003875446494 0.37500000000000 127.600 > 10 81 Te 0.66666666666667 0.07003875446494 0.37500000000000 127.600 > 10 82 Te 0.00000000000000 0.07003875446494 0.87500000000000 127.600 > 10 83 Te 0.33333333333333 0.07003875446494 0.87500000000000 127.600 > 10 84 Te 0.66666666666667 0.07003875446494 0.87500000000000 127.600 > 10 85 Te 0.16666666666667 0.86172868485765 0.46961680797395 127.600 > 5 86 Te 0.50000000000000 0.86172868485765 0.46961680797395 127.600 > 5 87 Te 0.83333333333333 0.86172868485765 0.46961680797395 127.600 > 5 88 Te 0.16666666666667 0.86172868485765 0.96961680797395 127.600 > 5 89 Te 0.50000000000000 0.86172868485765 0.96961680797395 127.600 > 5 90 Te 0.83333333333333 0.86172868485765 0.96961680797395 127.600 > 5 91 Te 0.00000000000000 0.92996124553506 0.12500000000000 127.600 > 6 92 Te 0.33333333333333 0.92996124553506 0.12500000000000 127.600 > 6 93 Te 0.66666666666667 0.92996124553506 0.12500000000000 127.600 > 6 94 Te 0.00000000000000 0.92996124553506 0.62500000000000 127.600 > 6 95 Te 0.33333333333333 0.92996124553506 0.62500000000000 127.600 > 6 96 Te 0.66666666666667 0.92996124553506 0.62500000000000 127.600 > 6 97 Te 0.00000000000000 0.63827131514235 0.21961680797395 127.600 > 7 98 Te 0.33333333333333 0.63827131514235 0.21961680797395 127.600 > 7 99 Te 0.66666666666667 0.63827131514235 0.21961680797395 127.600 > 7 100 Te 0.00000000000000 0.63827131514235 0.71961680797395 127.600 > 7 101 Te 0.33333333333333 0.63827131514235 0.71961680797395 127.600 > 7 102 Te 0.66666666666667 0.63827131514235 0.71961680797395 127.600 > 7 103 Te 0.00000000000000 0.63827131514235 0.03038319202605 127.600 > 8 104 Te 0.33333333333333 0.63827131514235 0.03038319202605 127.600 > 8 105 Te 0.66666666666667 0.63827131514235 0.03038319202605 127.600 > 8 106 Te 0.00000000000000 0.63827131514235 0.53038319202605 127.600 > 8 107 Te 0.33333333333333 0.63827131514235 0.53038319202605 127.600 > 8 108 Te 0.66666666666667 0.63827131514235 0.53038319202605 127.600 > 8 109 Te 0.16666666666667 0.86172868485765 0.28038319202605 127.600 > 9 110 Te 0.50000000000000 0.86172868485765 0.28038319202605 127.600 > 9 111 Te 0.83333333333333 0.86172868485765 0.28038319202605 127.600 > 9 112 Te 0.16666666666667 0.86172868485765 0.78038319202605 127.600 > 9 113 Te 0.50000000000000 0.86172868485765 0.78038319202605 127.600 > 9 114 Te 0.83333333333333 0.86172868485765 0.78038319202605 127.600 > 9 115 Te 0.16666666666667 0.57003875446494 0.37500000000000 127.600 > 10 116 Te 0.50000000000000 0.57003875446494 0.37500000000000 127.600 > 10 117 Te 0.83333333333333 0.57003875446494 0.37500000000000 127.600 > 10 118 Te 0.16666666666667 0.57003875446494 0.87500000000000 127.600 > 10 119 Te 0.50000000000000 0.57003875446494 0.87500000000000 127.600 > 10 120 Te 0.83333333333333 0.57003875446494 0.87500000000000 127.600 > 10 *121 Ba 0.00000000000000 0.25001810869647 0.12500000000000 137.327 > 11 122 Ba 0.33333333333333 0.25001810869647 0.12500000000000 137.327 > 11 123 Ba 0.66666666666667 0.25001810869647 0.12500000000000 137.327 > 11 124 Ba 0.00000000000000 0.25001810869647 0.62500000000000 137.327 > 11 125 Ba 0.33333333333333 0.25001810869647 0.62500000000000 137.327 > 11 126 Ba 0.66666666666667 0.25001810869647 0.62500000000000 137.327 > 11 127 Ba 0.16666666666667 0.24998189130353 0.37500000000000 137.327 > 12 128 Ba 0.50000000000000 0.24998189130353 0.37500000000000 137.327 > 12 129 Ba 0.83333333333333 0.24998189130353 0.37500000000000 137.327 > 12 130 Ba 0.16666666666667 0.24998189130353 0.87500000000000 137.327 > 12 131 Ba 0.50000000000000 0.24998189130353 0.87500000000000 137.327 > 12 132 Ba 0.83333333333333 0.24998189130353 0.87500000000000 137.327 > 12 133 Ba 0.16666666666667 0.75001810869647 0.12500000000000 137.327 > 11 134 Ba 0.50000000000000 0.75001810869647 0.12500000000000 137.327 > 11 135 Ba 0.83333333333333 0.75001810869647 0.12500000000000 137.327 > 11 136 Ba 0.16666666666667 0.75001810869647 0.62500000000000 137.327 > 11 137 Ba 0.50000000000000 0.75001810869647 0.62500000000000 137.327 > 11 138 Ba 0.83333333333333 0.75001810869647 0.62500000000000 137.327 > 11 139 Ba 0.00000000000000 0.74998189130353 0.37500000000000 137.327 > 12 140 Ba 0.33333333333333 0.74998189130353 0.37500000000000 137.327 > 12 141 Ba 0.66666666666667 0.74998189130353 0.37500000000000 137.327 > 12 142 Ba 0.00000000000000 0.74998189130353 0.87500000000000 137.327 > 12 143 Ba 0.33333333333333 0.74998189130353 0.87500000000000 137.327 > 12 144 Ba 0.66666666666667 0.74998189130353 0.87500000000000 137.327 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.0181888 0.0000000 0.0000000 0.0000000 8.9982112 0.0000000 0.0000000 0.0000000 10.7720134 -------------------------- Born effective charges -------------------------- 1 Cu 0.7196128 0.0000000 0.0000000 0.0000000 0.3496958 0.0000000 0.0000000 0.0000000 0.5924530 2 Cu 0.7196128 0.0000000 0.0000000 0.0000000 0.3496958 0.0000000 0.0000000 0.0000000 0.5924530 3 Y 5.1965955 0.0000000 0.0000000 0.0000000 2.3678936 -0.3155539 0.0000000 -0.4742119 4.9128792 4 Y 5.1965955 0.0000000 0.0000000 0.0000000 2.3678936 0.3155539 0.0000000 0.4742119 4.9128792 5 Te -3.4653701 0.0000000 0.0000000 0.0000000 -2.2185771 -0.2620253 0.0000000 -0.4014115 -2.3292235 6 Te -1.8562910 0.0000000 0.0000000 0.0000000 -1.9456828 0.0000000 0.0000000 0.0000000 -3.6124132 7 Te -3.4653701 0.0000000 0.0000000 0.0000000 -2.2185771 0.2620253 0.0000000 0.4014115 -2.3292235 8 Te -3.4653701 0.0000000 0.0000000 0.0000000 -2.2185771 -0.2620253 0.0000000 -0.4014115 -2.3292235 9 Te -3.4653701 0.0000000 0.0000000 0.0000000 -2.2185771 0.2620253 0.0000000 0.4014115 -2.3292235 10 Te -1.8562910 0.0000000 0.0000000 0.0000000 -1.9456828 0.0000000 0.0000000 0.0000000 -3.6124132 11 Ba 2.8708229 0.0000000 0.0000000 0.0000000 3.6652477 0.0000000 0.0000000 0.0000000 2.7655280 12 Ba 2.8708229 0.0000000 0.0000000 0.0000000 3.6652477 0.0000000 0.0000000 0.0000000 2.7655280 ---------------------------------------------------------------------------- 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: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 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: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.632 Solver_block: 200 / 240 - Time: 1.655 Solver_block: 240 / 240 - Time: 0.744 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.062 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 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: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), 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 2026-01-07 23:40:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:40:37]------------------------- 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 2.188617655000000 -7.310986849999999 0.000000000000000 b 2.188617655000000 7.310986849999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.245222500000001 Atomic positions (fractional): 1 Cu 0.53271093501556 0.46728906498444 0.75000000000000 63.546 2 Cu 0.46728906498444 0.53271093501556 0.25000000000000 63.546 3 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 4 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 5 Te 0.63827131514235 0.36172868485765 0.93923361594789 127.600 6 Te 0.07003875446494 0.92996124553506 0.25000000000000 127.600 7 Te 0.36172868485765 0.63827131514235 0.43923361594789 127.600 8 Te 0.36172868485765 0.63827131514235 0.06076638405211 127.600 9 Te 0.63827131514235 0.36172868485765 0.56076638405211 127.600 10 Te 0.92996124553506 0.07003875446494 0.75000000000000 127.600 11 Ba 0.74998189130353 0.25001810869647 0.25000000000000 137.327 12 Ba 0.25001810869647 0.74998189130353 0.75000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.131705929999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.621973699999998 0.000000000000000 c 0.000000000000000 0.000000000000000 22.490445000000001 Atomic positions (fractional): 1 Cu 0.00000000000000 0.46728906498444 0.37500000000000 63.546 > 1 2 Cu 0.33333333333333 0.46728906498444 0.37500000000000 63.546 > 1 3 Cu 0.66666666666667 0.46728906498444 0.37500000000000 63.546 > 1 4 Cu 0.00000000000000 0.46728906498444 0.87500000000000 63.546 > 1 5 Cu 0.33333333333333 0.46728906498444 0.87500000000000 63.546 > 1 6 Cu 0.66666666666667 0.46728906498444 0.87500000000000 63.546 > 1 7 Cu 0.16666666666667 0.03271093501556 0.12500000000000 63.546 > 7 8 Cu 0.50000000000000 0.03271093501556 0.12500000000000 63.546 > 7 9 Cu 0.83333333333333 0.03271093501556 0.12500000000000 63.546 > 7 10 Cu 0.16666666666667 0.03271093501556 0.62500000000000 63.546 > 7 11 Cu 0.50000000000000 0.03271093501556 0.62500000000000 63.546 > 7 12 Cu 0.83333333333333 0.03271093501556 0.62500000000000 63.546 > 7 13 Cu 0.16666666666667 0.96728906498444 0.37500000000000 63.546 > 1 14 Cu 0.50000000000000 0.96728906498444 0.37500000000000 63.546 > 1 15 Cu 0.83333333333333 0.96728906498444 0.37500000000000 63.546 > 1 16 Cu 0.16666666666667 0.96728906498444 0.87500000000000 63.546 > 1 17 Cu 0.50000000000000 0.96728906498444 0.87500000000000 63.546 > 1 18 Cu 0.83333333333333 0.96728906498444 0.87500000000000 63.546 > 1 19 Cu 0.00000000000000 0.53271093501556 0.12500000000000 63.546 > 7 20 Cu 0.33333333333333 0.53271093501556 0.12500000000000 63.546 > 7 21 Cu 0.66666666666667 0.53271093501556 0.12500000000000 63.546 > 7 22 Cu 0.00000000000000 0.53271093501556 0.62500000000000 63.546 > 7 23 Cu 0.33333333333333 0.53271093501556 0.62500000000000 63.546 > 7 24 Cu 0.66666666666667 0.53271093501556 0.62500000000000 63.546 > 7 25 Y 0.00000000000000 0.00000000000000 0.25000000000000 88.906 > 25 26 Y 0.33333333333333 0.00000000000000 0.25000000000000 88.906 > 25 27 Y 0.66666666666667 0.00000000000000 0.25000000000000 88.906 > 25 28 Y 0.00000000000000 0.00000000000000 0.75000000000000 88.906 > 25 29 Y 0.33333333333333 0.00000000000000 0.75000000000000 88.906 > 25 30 Y 0.66666666666667 0.00000000000000 0.75000000000000 88.906 > 25 31 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 31 32 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 31 33 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 31 34 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 31 35 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 31 36 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 31 37 Y 0.16666666666667 0.50000000000000 0.25000000000000 88.906 > 25 38 Y 0.50000000000000 0.50000000000000 0.25000000000000 88.906 > 25 39 Y 0.83333333333333 0.50000000000000 0.25000000000000 88.906 > 25 40 Y 0.16666666666667 0.50000000000000 0.75000000000000 88.906 > 25 41 Y 0.50000000000000 0.50000000000000 0.75000000000000 88.906 > 25 42 Y 0.83333333333333 0.50000000000000 0.75000000000000 88.906 > 25 43 Y 0.16666666666667 0.50000000000000 0.00000000000000 88.906 > 31 44 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 31 45 Y 0.83333333333333 0.50000000000000 0.00000000000000 88.906 > 31 46 Y 0.16666666666667 0.50000000000000 0.50000000000000 88.906 > 31 47 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 31 48 Y 0.83333333333333 0.50000000000000 0.50000000000000 88.906 > 31 49 Te 0.00000000000000 0.36172868485765 0.46961680797395 127.600 > 49 50 Te 0.33333333333333 0.36172868485765 0.46961680797395 127.600 > 49 51 Te 0.66666666666667 0.36172868485765 0.46961680797395 127.600 > 49 52 Te 0.00000000000000 0.36172868485765 0.96961680797395 127.600 > 49 53 Te 0.33333333333333 0.36172868485765 0.96961680797395 127.600 > 49 54 Te 0.66666666666667 0.36172868485765 0.96961680797395 127.600 > 49 55 Te 0.16666666666667 0.42996124553506 0.12500000000000 127.600 > 55 56 Te 0.50000000000000 0.42996124553506 0.12500000000000 127.600 > 55 57 Te 0.83333333333333 0.42996124553506 0.12500000000000 127.600 > 55 58 Te 0.16666666666667 0.42996124553506 0.62500000000000 127.600 > 55 59 Te 0.50000000000000 0.42996124553506 0.62500000000000 127.600 > 55 60 Te 0.83333333333333 0.42996124553506 0.62500000000000 127.600 > 55 61 Te 0.16666666666667 0.13827131514235 0.21961680797395 127.600 > 61 62 Te 0.50000000000000 0.13827131514235 0.21961680797395 127.600 > 61 63 Te 0.83333333333333 0.13827131514235 0.21961680797395 127.600 > 61 64 Te 0.16666666666667 0.13827131514235 0.71961680797395 127.600 > 61 65 Te 0.50000000000000 0.13827131514235 0.71961680797395 127.600 > 61 66 Te 0.83333333333333 0.13827131514235 0.71961680797395 127.600 > 61 67 Te 0.16666666666667 0.13827131514235 0.03038319202605 127.600 > 67 68 Te 0.50000000000000 0.13827131514235 0.03038319202605 127.600 > 67 69 Te 0.83333333333333 0.13827131514235 0.03038319202605 127.600 > 67 70 Te 0.16666666666667 0.13827131514235 0.53038319202605 127.600 > 67 71 Te 0.50000000000000 0.13827131514235 0.53038319202605 127.600 > 67 72 Te 0.83333333333333 0.13827131514235 0.53038319202605 127.600 > 67 73 Te 0.00000000000000 0.36172868485765 0.28038319202605 127.600 > 73 74 Te 0.33333333333333 0.36172868485765 0.28038319202605 127.600 > 73 75 Te 0.66666666666667 0.36172868485765 0.28038319202605 127.600 > 73 76 Te 0.00000000000000 0.36172868485765 0.78038319202605 127.600 > 73 77 Te 0.33333333333333 0.36172868485765 0.78038319202605 127.600 > 73 78 Te 0.66666666666667 0.36172868485765 0.78038319202605 127.600 > 73 79 Te 0.00000000000000 0.07003875446494 0.37500000000000 127.600 > 79 80 Te 0.33333333333333 0.07003875446494 0.37500000000000 127.600 > 79 81 Te 0.66666666666667 0.07003875446494 0.37500000000000 127.600 > 79 82 Te 0.00000000000000 0.07003875446494 0.87500000000000 127.600 > 79 83 Te 0.33333333333333 0.07003875446494 0.87500000000000 127.600 > 79 84 Te 0.66666666666667 0.07003875446494 0.87500000000000 127.600 > 79 85 Te 0.16666666666667 0.86172868485765 0.46961680797395 127.600 > 49 86 Te 0.50000000000000 0.86172868485765 0.46961680797395 127.600 > 49 87 Te 0.83333333333333 0.86172868485765 0.46961680797395 127.600 > 49 88 Te 0.16666666666667 0.86172868485765 0.96961680797395 127.600 > 49 89 Te 0.50000000000000 0.86172868485765 0.96961680797395 127.600 > 49 90 Te 0.83333333333333 0.86172868485765 0.96961680797395 127.600 > 49 91 Te 0.00000000000000 0.92996124553506 0.12500000000000 127.600 > 55 92 Te 0.33333333333333 0.92996124553506 0.12500000000000 127.600 > 55 93 Te 0.66666666666667 0.92996124553506 0.12500000000000 127.600 > 55 94 Te 0.00000000000000 0.92996124553506 0.62500000000000 127.600 > 55 95 Te 0.33333333333333 0.92996124553506 0.62500000000000 127.600 > 55 96 Te 0.66666666666667 0.92996124553506 0.62500000000000 127.600 > 55 97 Te 0.00000000000000 0.63827131514235 0.21961680797395 127.600 > 61 98 Te 0.33333333333333 0.63827131514235 0.21961680797395 127.600 > 61 99 Te 0.66666666666667 0.63827131514235 0.21961680797395 127.600 > 61 100 Te 0.00000000000000 0.63827131514235 0.71961680797395 127.600 > 61 101 Te 0.33333333333333 0.63827131514235 0.71961680797395 127.600 > 61 102 Te 0.66666666666667 0.63827131514235 0.71961680797395 127.600 > 61 103 Te 0.00000000000000 0.63827131514235 0.03038319202605 127.600 > 67 104 Te 0.33333333333333 0.63827131514235 0.03038319202605 127.600 > 67 105 Te 0.66666666666667 0.63827131514235 0.03038319202605 127.600 > 67 106 Te 0.00000000000000 0.63827131514235 0.53038319202605 127.600 > 67 107 Te 0.33333333333333 0.63827131514235 0.53038319202605 127.600 > 67 108 Te 0.66666666666667 0.63827131514235 0.53038319202605 127.600 > 67 109 Te 0.16666666666667 0.86172868485765 0.28038319202605 127.600 > 73 110 Te 0.50000000000000 0.86172868485765 0.28038319202605 127.600 > 73 111 Te 0.83333333333333 0.86172868485765 0.28038319202605 127.600 > 73 112 Te 0.16666666666667 0.86172868485765 0.78038319202605 127.600 > 73 113 Te 0.50000000000000 0.86172868485765 0.78038319202605 127.600 > 73 114 Te 0.83333333333333 0.86172868485765 0.78038319202605 127.600 > 73 115 Te 0.16666666666667 0.57003875446494 0.37500000000000 127.600 > 79 116 Te 0.50000000000000 0.57003875446494 0.37500000000000 127.600 > 79 117 Te 0.83333333333333 0.57003875446494 0.37500000000000 127.600 > 79 118 Te 0.16666666666667 0.57003875446494 0.87500000000000 127.600 > 79 119 Te 0.50000000000000 0.57003875446494 0.87500000000000 127.600 > 79 120 Te 0.83333333333333 0.57003875446494 0.87500000000000 127.600 > 79 121 Ba 0.00000000000000 0.25001810869647 0.12500000000000 137.327 > 121 122 Ba 0.33333333333333 0.25001810869647 0.12500000000000 137.327 > 121 123 Ba 0.66666666666667 0.25001810869647 0.12500000000000 137.327 > 121 124 Ba 0.00000000000000 0.25001810869647 0.62500000000000 137.327 > 121 125 Ba 0.33333333333333 0.25001810869647 0.62500000000000 137.327 > 121 126 Ba 0.66666666666667 0.25001810869647 0.62500000000000 137.327 > 121 127 Ba 0.16666666666667 0.24998189130353 0.37500000000000 137.327 > 127 128 Ba 0.50000000000000 0.24998189130353 0.37500000000000 137.327 > 127 129 Ba 0.83333333333333 0.24998189130353 0.37500000000000 137.327 > 127 130 Ba 0.16666666666667 0.24998189130353 0.87500000000000 137.327 > 127 131 Ba 0.50000000000000 0.24998189130353 0.87500000000000 137.327 > 127 132 Ba 0.83333333333333 0.24998189130353 0.87500000000000 137.327 > 127 133 Ba 0.16666666666667 0.75001810869647 0.12500000000000 137.327 > 121 134 Ba 0.50000000000000 0.75001810869647 0.12500000000000 137.327 > 121 135 Ba 0.83333333333333 0.75001810869647 0.12500000000000 137.327 > 121 136 Ba 0.16666666666667 0.75001810869647 0.62500000000000 137.327 > 121 137 Ba 0.50000000000000 0.75001810869647 0.62500000000000 137.327 > 121 138 Ba 0.83333333333333 0.75001810869647 0.62500000000000 137.327 > 121 139 Ba 0.00000000000000 0.74998189130353 0.37500000000000 137.327 > 127 140 Ba 0.33333333333333 0.74998189130353 0.37500000000000 137.327 > 127 141 Ba 0.66666666666667 0.74998189130353 0.37500000000000 137.327 > 127 142 Ba 0.00000000000000 0.74998189130353 0.87500000000000 137.327 > 127 143 Ba 0.33333333333333 0.74998189130353 0.87500000000000 137.327 > 127 144 Ba 0.66666666666667 0.74998189130353 0.87500000000000 137.327 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.0181888 0.0000000 0.0000000 0.0000000 8.9982112 0.0000000 0.0000000 0.0000000 10.7720134 -------------------------- Born effective charges -------------------------- 1 Cu 0.7196128 0.0000000 0.0000000 0.0000000 0.3496958 0.0000000 0.0000000 0.0000000 0.5924530 2 Cu 0.7196128 0.0000000 0.0000000 0.0000000 0.3496958 0.0000000 0.0000000 0.0000000 0.5924530 3 Y 5.1965955 0.0000000 0.0000000 0.0000000 2.3678936 -0.3155539 0.0000000 -0.4742119 4.9128792 4 Y 5.1965955 0.0000000 0.0000000 0.0000000 2.3678936 0.3155539 0.0000000 0.4742119 4.9128792 5 Te -3.4653701 0.0000000 0.0000000 0.0000000 -2.2185771 -0.2620253 0.0000000 -0.4014115 -2.3292235 6 Te -1.8562910 0.0000000 0.0000000 0.0000000 -1.9456828 0.0000000 0.0000000 0.0000000 -3.6124132 7 Te -3.4653701 0.0000000 0.0000000 0.0000000 -2.2185771 0.2620253 0.0000000 0.4014115 -2.3292235 8 Te -3.4653701 0.0000000 0.0000000 0.0000000 -2.2185771 -0.2620253 0.0000000 -0.4014115 -2.3292235 9 Te -3.4653701 0.0000000 0.0000000 0.0000000 -2.2185771 0.2620253 0.0000000 0.4014115 -2.3292235 10 Te -1.8562910 0.0000000 0.0000000 0.0000000 -1.9456828 0.0000000 0.0000000 0.0000000 -3.6124132 11 Ba 2.8708229 0.0000000 0.0000000 0.0000000 3.6652477 0.0000000 0.0000000 0.0000000 2.7655280 12 Ba 2.8708229 0.0000000 0.0000000 0.0000000 3.6652477 0.0000000 0.0000000 0.0000000 2.7655280 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) 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 2026-01-07 23:40:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:40:57]------------------------- 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 2.188617655000000 -7.310986849999999 0.000000000000000 b 2.188617655000000 7.310986849999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.245222500000001 Atomic positions (fractional): 1 Cu 0.53271093501556 0.46728906498444 0.75000000000000 63.546 2 Cu 0.46728906498444 0.53271093501556 0.25000000000000 63.546 3 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 4 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 5 Te 0.63827131514235 0.36172868485765 0.93923361594789 127.600 6 Te 0.07003875446494 0.92996124553506 0.25000000000000 127.600 7 Te 0.36172868485765 0.63827131514235 0.43923361594789 127.600 8 Te 0.36172868485765 0.63827131514235 0.06076638405211 127.600 9 Te 0.63827131514235 0.36172868485765 0.56076638405211 127.600 10 Te 0.92996124553506 0.07003875446494 0.75000000000000 127.600 11 Ba 0.74998189130353 0.25001810869647 0.25000000000000 137.327 12 Ba 0.25001810869647 0.74998189130353 0.75000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.131705929999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.621973699999998 0.000000000000000 c 0.000000000000000 0.000000000000000 22.490445000000001 Atomic positions (fractional): 1 Cu 0.00000000000000 0.46728906498444 0.37500000000000 63.546 > 1 2 Cu 0.33333333333333 0.46728906498444 0.37500000000000 63.546 > 1 3 Cu 0.66666666666667 0.46728906498444 0.37500000000000 63.546 > 1 4 Cu 0.00000000000000 0.46728906498444 0.87500000000000 63.546 > 1 5 Cu 0.33333333333333 0.46728906498444 0.87500000000000 63.546 > 1 6 Cu 0.66666666666667 0.46728906498444 0.87500000000000 63.546 > 1 7 Cu 0.16666666666667 0.03271093501556 0.12500000000000 63.546 > 7 8 Cu 0.50000000000000 0.03271093501556 0.12500000000000 63.546 > 7 9 Cu 0.83333333333333 0.03271093501556 0.12500000000000 63.546 > 7 10 Cu 0.16666666666667 0.03271093501556 0.62500000000000 63.546 > 7 11 Cu 0.50000000000000 0.03271093501556 0.62500000000000 63.546 > 7 12 Cu 0.83333333333333 0.03271093501556 0.62500000000000 63.546 > 7 13 Cu 0.16666666666667 0.96728906498444 0.37500000000000 63.546 > 1 14 Cu 0.50000000000000 0.96728906498444 0.37500000000000 63.546 > 1 15 Cu 0.83333333333333 0.96728906498444 0.37500000000000 63.546 > 1 16 Cu 0.16666666666667 0.96728906498444 0.87500000000000 63.546 > 1 17 Cu 0.50000000000000 0.96728906498444 0.87500000000000 63.546 > 1 18 Cu 0.83333333333333 0.96728906498444 0.87500000000000 63.546 > 1 19 Cu 0.00000000000000 0.53271093501556 0.12500000000000 63.546 > 7 20 Cu 0.33333333333333 0.53271093501556 0.12500000000000 63.546 > 7 21 Cu 0.66666666666667 0.53271093501556 0.12500000000000 63.546 > 7 22 Cu 0.00000000000000 0.53271093501556 0.62500000000000 63.546 > 7 23 Cu 0.33333333333333 0.53271093501556 0.62500000000000 63.546 > 7 24 Cu 0.66666666666667 0.53271093501556 0.62500000000000 63.546 > 7 25 Y 0.00000000000000 0.00000000000000 0.25000000000000 88.906 > 25 26 Y 0.33333333333333 0.00000000000000 0.25000000000000 88.906 > 25 27 Y 0.66666666666667 0.00000000000000 0.25000000000000 88.906 > 25 28 Y 0.00000000000000 0.00000000000000 0.75000000000000 88.906 > 25 29 Y 0.33333333333333 0.00000000000000 0.75000000000000 88.906 > 25 30 Y 0.66666666666667 0.00000000000000 0.75000000000000 88.906 > 25 31 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 31 32 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 31 33 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 31 34 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 31 35 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 31 36 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 31 37 Y 0.16666666666667 0.50000000000000 0.25000000000000 88.906 > 25 38 Y 0.50000000000000 0.50000000000000 0.25000000000000 88.906 > 25 39 Y 0.83333333333333 0.50000000000000 0.25000000000000 88.906 > 25 40 Y 0.16666666666667 0.50000000000000 0.75000000000000 88.906 > 25 41 Y 0.50000000000000 0.50000000000000 0.75000000000000 88.906 > 25 42 Y 0.83333333333333 0.50000000000000 0.75000000000000 88.906 > 25 43 Y 0.16666666666667 0.50000000000000 0.00000000000000 88.906 > 31 44 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 31 45 Y 0.83333333333333 0.50000000000000 0.00000000000000 88.906 > 31 46 Y 0.16666666666667 0.50000000000000 0.50000000000000 88.906 > 31 47 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 31 48 Y 0.83333333333333 0.50000000000000 0.50000000000000 88.906 > 31 49 Te 0.00000000000000 0.36172868485765 0.46961680797395 127.600 > 49 50 Te 0.33333333333333 0.36172868485765 0.46961680797395 127.600 > 49 51 Te 0.66666666666667 0.36172868485765 0.46961680797395 127.600 > 49 52 Te 0.00000000000000 0.36172868485765 0.96961680797395 127.600 > 49 53 Te 0.33333333333333 0.36172868485765 0.96961680797395 127.600 > 49 54 Te 0.66666666666667 0.36172868485765 0.96961680797395 127.600 > 49 55 Te 0.16666666666667 0.42996124553506 0.12500000000000 127.600 > 55 56 Te 0.50000000000000 0.42996124553506 0.12500000000000 127.600 > 55 57 Te 0.83333333333333 0.42996124553506 0.12500000000000 127.600 > 55 58 Te 0.16666666666667 0.42996124553506 0.62500000000000 127.600 > 55 59 Te 0.50000000000000 0.42996124553506 0.62500000000000 127.600 > 55 60 Te 0.83333333333333 0.42996124553506 0.62500000000000 127.600 > 55 61 Te 0.16666666666667 0.13827131514235 0.21961680797395 127.600 > 61 62 Te 0.50000000000000 0.13827131514235 0.21961680797395 127.600 > 61 63 Te 0.83333333333333 0.13827131514235 0.21961680797395 127.600 > 61 64 Te 0.16666666666667 0.13827131514235 0.71961680797395 127.600 > 61 65 Te 0.50000000000000 0.13827131514235 0.71961680797395 127.600 > 61 66 Te 0.83333333333333 0.13827131514235 0.71961680797395 127.600 > 61 67 Te 0.16666666666667 0.13827131514235 0.03038319202605 127.600 > 67 68 Te 0.50000000000000 0.13827131514235 0.03038319202605 127.600 > 67 69 Te 0.83333333333333 0.13827131514235 0.03038319202605 127.600 > 67 70 Te 0.16666666666667 0.13827131514235 0.53038319202605 127.600 > 67 71 Te 0.50000000000000 0.13827131514235 0.53038319202605 127.600 > 67 72 Te 0.83333333333333 0.13827131514235 0.53038319202605 127.600 > 67 73 Te 0.00000000000000 0.36172868485765 0.28038319202605 127.600 > 73 74 Te 0.33333333333333 0.36172868485765 0.28038319202605 127.600 > 73 75 Te 0.66666666666667 0.36172868485765 0.28038319202605 127.600 > 73 76 Te 0.00000000000000 0.36172868485765 0.78038319202605 127.600 > 73 77 Te 0.33333333333333 0.36172868485765 0.78038319202605 127.600 > 73 78 Te 0.66666666666667 0.36172868485765 0.78038319202605 127.600 > 73 79 Te 0.00000000000000 0.07003875446494 0.37500000000000 127.600 > 79 80 Te 0.33333333333333 0.07003875446494 0.37500000000000 127.600 > 79 81 Te 0.66666666666667 0.07003875446494 0.37500000000000 127.600 > 79 82 Te 0.00000000000000 0.07003875446494 0.87500000000000 127.600 > 79 83 Te 0.33333333333333 0.07003875446494 0.87500000000000 127.600 > 79 84 Te 0.66666666666667 0.07003875446494 0.87500000000000 127.600 > 79 85 Te 0.16666666666667 0.86172868485765 0.46961680797395 127.600 > 49 86 Te 0.50000000000000 0.86172868485765 0.46961680797395 127.600 > 49 87 Te 0.83333333333333 0.86172868485765 0.46961680797395 127.600 > 49 88 Te 0.16666666666667 0.86172868485765 0.96961680797395 127.600 > 49 89 Te 0.50000000000000 0.86172868485765 0.96961680797395 127.600 > 49 90 Te 0.83333333333333 0.86172868485765 0.96961680797395 127.600 > 49 91 Te 0.00000000000000 0.92996124553506 0.12500000000000 127.600 > 55 92 Te 0.33333333333333 0.92996124553506 0.12500000000000 127.600 > 55 93 Te 0.66666666666667 0.92996124553506 0.12500000000000 127.600 > 55 94 Te 0.00000000000000 0.92996124553506 0.62500000000000 127.600 > 55 95 Te 0.33333333333333 0.92996124553506 0.62500000000000 127.600 > 55 96 Te 0.66666666666667 0.92996124553506 0.62500000000000 127.600 > 55 97 Te 0.00000000000000 0.63827131514235 0.21961680797395 127.600 > 61 98 Te 0.33333333333333 0.63827131514235 0.21961680797395 127.600 > 61 99 Te 0.66666666666667 0.63827131514235 0.21961680797395 127.600 > 61 100 Te 0.00000000000000 0.63827131514235 0.71961680797395 127.600 > 61 101 Te 0.33333333333333 0.63827131514235 0.71961680797395 127.600 > 61 102 Te 0.66666666666667 0.63827131514235 0.71961680797395 127.600 > 61 103 Te 0.00000000000000 0.63827131514235 0.03038319202605 127.600 > 67 104 Te 0.33333333333333 0.63827131514235 0.03038319202605 127.600 > 67 105 Te 0.66666666666667 0.63827131514235 0.03038319202605 127.600 > 67 106 Te 0.00000000000000 0.63827131514235 0.53038319202605 127.600 > 67 107 Te 0.33333333333333 0.63827131514235 0.53038319202605 127.600 > 67 108 Te 0.66666666666667 0.63827131514235 0.53038319202605 127.600 > 67 109 Te 0.16666666666667 0.86172868485765 0.28038319202605 127.600 > 73 110 Te 0.50000000000000 0.86172868485765 0.28038319202605 127.600 > 73 111 Te 0.83333333333333 0.86172868485765 0.28038319202605 127.600 > 73 112 Te 0.16666666666667 0.86172868485765 0.78038319202605 127.600 > 73 113 Te 0.50000000000000 0.86172868485765 0.78038319202605 127.600 > 73 114 Te 0.83333333333333 0.86172868485765 0.78038319202605 127.600 > 73 115 Te 0.16666666666667 0.57003875446494 0.37500000000000 127.600 > 79 116 Te 0.50000000000000 0.57003875446494 0.37500000000000 127.600 > 79 117 Te 0.83333333333333 0.57003875446494 0.37500000000000 127.600 > 79 118 Te 0.16666666666667 0.57003875446494 0.87500000000000 127.600 > 79 119 Te 0.50000000000000 0.57003875446494 0.87500000000000 127.600 > 79 120 Te 0.83333333333333 0.57003875446494 0.87500000000000 127.600 > 79 121 Ba 0.00000000000000 0.25001810869647 0.12500000000000 137.327 > 121 122 Ba 0.33333333333333 0.25001810869647 0.12500000000000 137.327 > 121 123 Ba 0.66666666666667 0.25001810869647 0.12500000000000 137.327 > 121 124 Ba 0.00000000000000 0.25001810869647 0.62500000000000 137.327 > 121 125 Ba 0.33333333333333 0.25001810869647 0.62500000000000 137.327 > 121 126 Ba 0.66666666666667 0.25001810869647 0.62500000000000 137.327 > 121 127 Ba 0.16666666666667 0.24998189130353 0.37500000000000 137.327 > 127 128 Ba 0.50000000000000 0.24998189130353 0.37500000000000 137.327 > 127 129 Ba 0.83333333333333 0.24998189130353 0.37500000000000 137.327 > 127 130 Ba 0.16666666666667 0.24998189130353 0.87500000000000 137.327 > 127 131 Ba 0.50000000000000 0.24998189130353 0.87500000000000 137.327 > 127 132 Ba 0.83333333333333 0.24998189130353 0.87500000000000 137.327 > 127 133 Ba 0.16666666666667 0.75001810869647 0.12500000000000 137.327 > 121 134 Ba 0.50000000000000 0.75001810869647 0.12500000000000 137.327 > 121 135 Ba 0.83333333333333 0.75001810869647 0.12500000000000 137.327 > 121 136 Ba 0.16666666666667 0.75001810869647 0.62500000000000 137.327 > 121 137 Ba 0.50000000000000 0.75001810869647 0.62500000000000 137.327 > 121 138 Ba 0.83333333333333 0.75001810869647 0.62500000000000 137.327 > 121 139 Ba 0.00000000000000 0.74998189130353 0.37500000000000 137.327 > 127 140 Ba 0.33333333333333 0.74998189130353 0.37500000000000 137.327 > 127 141 Ba 0.66666666666667 0.74998189130353 0.37500000000000 137.327 > 127 142 Ba 0.00000000000000 0.74998189130353 0.87500000000000 137.327 > 127 143 Ba 0.33333333333333 0.74998189130353 0.87500000000000 137.327 > 127 144 Ba 0.66666666666667 0.74998189130353 0.87500000000000 137.327 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.0181888 0.0000000 0.0000000 0.0000000 8.9982112 0.0000000 0.0000000 0.0000000 10.7720134 -------------------------- Born effective charges -------------------------- 1 Cu 0.7196128 0.0000000 0.0000000 0.0000000 0.3496958 0.0000000 0.0000000 0.0000000 0.5924530 2 Cu 0.7196128 0.0000000 0.0000000 0.0000000 0.3496958 0.0000000 0.0000000 0.0000000 0.5924530 3 Y 5.1965955 0.0000000 0.0000000 0.0000000 2.3678936 -0.3155539 0.0000000 -0.4742119 4.9128792 4 Y 5.1965955 0.0000000 0.0000000 0.0000000 2.3678936 0.3155539 0.0000000 0.4742119 4.9128792 5 Te -3.4653701 0.0000000 0.0000000 0.0000000 -2.2185771 -0.2620253 0.0000000 -0.4014115 -2.3292235 6 Te -1.8562910 0.0000000 0.0000000 0.0000000 -1.9456828 0.0000000 0.0000000 0.0000000 -3.6124132 7 Te -3.4653701 0.0000000 0.0000000 0.0000000 -2.2185771 0.2620253 0.0000000 0.4014115 -2.3292235 8 Te -3.4653701 0.0000000 0.0000000 0.0000000 -2.2185771 -0.2620253 0.0000000 -0.4014115 -2.3292235 9 Te -3.4653701 0.0000000 0.0000000 0.0000000 -2.2185771 0.2620253 0.0000000 0.4014115 -2.3292235 10 Te -1.8562910 0.0000000 0.0000000 0.0000000 -1.9456828 0.0000000 0.0000000 0.0000000 -3.6124132 11 Ba 2.8708229 0.0000000 0.0000000 0.0000000 3.6652477 0.0000000 0.0000000 0.0000000 2.7655280 12 Ba 2.8708229 0.0000000 0.0000000 0.0000000 3.6652477 0.0000000 0.0000000 0.0000000 2.7655280 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (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 4 ] 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: 299, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/129) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 129 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 0.939 ( 0.000 0.000 0.000) 0.000 1.292 ( 0.000 0.000 0.000) 0.000 1.415 ( 0.000 0.000 0.000) 0.000 1.428 ( 0.000 0.000 0.000) 0.000 1.605 ( 0.000 0.000 0.000) 0.000 1.608 ( 0.000 0.000 0.000) 0.000 1.623 ( 0.000 0.000 0.000) 0.000 2.012 ( 0.000 0.000 0.000) 0.000 2.165 ( 0.000 0.000 0.000) 0.000 2.233 ( 0.000 0.000 0.000) 0.000 2.236 ( 0.000 0.000 0.000) 0.000 2.636 ( 0.000 0.000 0.000) 0.000 2.642 ( 0.000 0.000 0.000) 0.000 2.686 ( 0.000 0.000 0.000) 0.000 2.988 ( 0.000 0.000 0.000) 0.000 3.260 ( 0.000 0.000 0.000) 0.000 3.514 ( 0.000 0.000 0.000) 0.000 3.584 ( 0.000 0.000 0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 3.762 ( 0.000 0.000 0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 3.995 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.053 ( 0.000 0.000 0.000) 0.000 4.212 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.268 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 5.099 ( 0.000 0.000 0.000) 0.000 5.190 ( 0.000 0.000 0.000) 0.000 5.273 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/129) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( 17.890 -2.279 0.000) 18.035 0.413 ( 24.978 10.495 0.000) 27.093 0.705 ( 31.143 -16.727 0.000) 35.351 1.014 ( 7.179 -0.796 0.000) 7.223 1.263 ( -10.515 1.332 0.000) 10.599 1.336 ( 4.247 3.685 0.000) 5.623 1.411 ( -0.388 -2.454 0.000) 2.484 1.610 ( 1.461 1.862 0.000) 2.366 1.678 ( 1.507 -1.050 0.000) 1.836 1.706 ( 7.675 4.005 0.000) 8.657 2.050 ( -7.467 4.004 0.000) 8.473 2.131 ( 11.954 0.823 0.000) 11.982 2.257 ( 2.513 -0.529 0.000) 2.568 2.292 ( 2.386 -6.452 0.000) 6.879 2.585 ( -9.026 -1.053 0.000) 9.087 2.641 ( -0.727 1.854 0.000) 1.992 2.761 ( 8.865 -3.500 0.000) 9.531 3.067 ( 6.431 0.157 0.000) 6.433 3.216 ( -3.844 -0.780 0.000) 3.923 3.455 ( -4.769 0.120 0.000) 4.771 3.601 ( 1.852 3.772 0.000) 4.203 3.651 ( -1.329 -4.345 0.000) 4.544 3.800 ( -0.729 0.460 0.000) 0.862 3.812 ( 6.906 -0.036 0.000) 6.907 3.908 ( -1.648 -0.480 0.000) 1.717 4.016 ( 4.287 0.609 0.000) 4.330 4.041 ( 3.357 -0.548 0.000) 3.401 4.051 ( -0.289 -0.035 0.000) 0.291 4.202 ( -0.910 0.202 0.000) 0.932 4.220 ( -1.809 0.453 0.000) 1.865 4.302 ( 4.214 1.092 0.000) 4.354 4.774 ( -5.135 -1.351 0.000) 5.310 4.936 ( 3.385 24.113 0.000) 24.349 5.175 ( -6.062 -0.928 0.000) 6.133 5.183 ( -0.746 0.009 0.000) 0.746 5.267 ( -5.196 -8.318 0.000) 9.807 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 15.560 -1.923 0.000) 15.678 0.830 ( 24.917 10.502 0.000) 27.040 1.099 ( -2.032 2.909 0.000) 3.549 1.213 ( 9.751 -3.010 0.000) 10.205 1.332 ( 17.831 -7.985 0.000) 19.537 1.378 ( 10.317 0.978 0.000) 10.363 1.488 ( 4.704 -4.529 0.000) 6.530 1.633 ( 1.635 1.860 0.000) 2.476 1.674 ( -0.856 -0.681 0.000) 1.094 1.796 ( 3.166 6.229 0.000) 6.987 1.930 ( -2.025 -2.545 0.000) 3.253 2.334 ( 5.394 1.009 0.000) 5.488 2.359 ( -0.716 2.654 0.000) 2.749 2.410 ( 6.273 -3.387 0.000) 7.129 2.436 ( 5.076 -2.708 0.000) 5.753 2.594 ( -1.779 2.241 0.000) 2.861 2.952 ( 8.223 0.197 0.000) 8.225 3.172 ( -0.920 -4.395 0.000) 4.490 3.183 ( 5.215 0.206 0.000) 5.220 3.349 ( -6.179 0.193 0.000) 6.182 3.562 ( -4.626 -0.767 0.000) 4.689 3.660 ( 1.051 0.797 0.000) 1.319 3.823 ( 2.649 0.633 0.000) 2.723 3.895 ( 0.228 -0.721 0.000) 0.756 3.923 ( 4.068 -0.156 0.000) 4.071 4.043 ( -0.514 -0.147 0.000) 0.535 4.087 ( 2.350 0.323 0.000) 2.372 4.103 ( 2.479 0.021 0.000) 2.479 4.181 ( -0.853 0.376 0.000) 0.932 4.182 ( -0.981 0.189 0.000) 0.999 4.420 ( 8.721 2.362 0.000) 9.035 4.651 ( -8.451 -2.405 0.000) 8.787 4.788 ( -10.837 3.256 0.000) 11.315 5.072 ( -1.585 8.804 0.000) 8.946 5.165 ( -1.104 0.008 0.000) 1.104 5.200 ( -4.803 -2.463 0.000) 5.398 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 12.519 -1.196 0.000) 12.576 1.135 ( 7.011 0.818 0.000) 7.058 1.233 ( 23.303 10.625 0.000) 25.611 1.392 ( 3.500 5.260 0.000) 6.318 1.405 ( 5.804 -3.776 0.000) 6.924 1.566 ( 2.613 -3.658 0.000) 4.496 1.617 ( -1.081 0.406 0.000) 1.155 1.725 ( 5.633 -0.764 0.000) 5.684 1.729 ( 6.548 1.402 0.000) 6.697 1.787 ( 0.286 -4.049 0.000) 4.059 2.040 ( 6.804 -2.328 0.000) 7.191 2.163 ( -11.574 -0.659 0.000) 11.593 2.405 ( 4.356 -0.035 0.000) 4.356 2.534 ( 8.876 1.535 0.000) 9.008 2.659 ( 6.361 -4.337 0.000) 7.699 2.684 ( 11.700 1.464 0.000) 11.791 3.031 ( 0.936 -2.383 0.000) 2.560 3.231 ( -3.425 0.213 0.000) 3.432 3.246 ( 4.848 -0.488 0.000) 4.872 3.251 ( 0.058 -0.205 0.000) 0.213 3.479 ( -3.826 -1.134 0.000) 3.991 3.661 ( -0.691 -1.296 0.000) 1.469 3.866 ( 2.501 2.906 0.000) 3.834 3.922 ( 1.360 -0.801 0.000) 1.579 3.974 ( 1.583 -0.253 0.000) 1.603 4.034 ( -0.535 -0.306 0.000) 0.617 4.062 ( -2.735 0.296 0.000) 2.750 4.143 ( 1.483 0.361 0.000) 1.527 4.166 ( -0.624 0.109 0.000) 0.634 4.210 ( 2.598 -0.082 0.000) 2.599 4.469 ( -7.398 -0.482 0.000) 7.413 4.533 ( -13.244 0.489 0.000) 13.253 4.604 ( 7.132 0.771 0.000) 7.173 5.008 ( -0.626 7.085 0.000) 7.112 5.121 ( -3.948 0.315 0.000) 3.961 5.144 ( -1.060 -0.074 0.000) 1.063 ======================= Grid point 4 (5/129) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 9.298 -0.570 0.000) 9.316 1.320 ( 10.984 -1.079 0.000) 11.037 1.435 ( -2.735 -1.392 0.000) 3.069 1.435 ( 3.233 1.358 0.000) 3.507 1.557 ( 5.901 6.614 0.000) 8.864 1.593 ( 7.032 7.339 0.000) 10.164 1.620 ( 0.010 -2.525 0.000) 2.525 1.715 ( 0.793 -3.644 0.000) 3.730 1.820 ( -2.308 1.042 0.000) 2.533 1.918 ( 6.392 -1.172 0.000) 6.498 2.037 ( 0.069 0.984 0.000) 0.987 2.041 ( 4.391 0.761 0.000) 4.457 2.520 ( -0.601 -6.875 0.000) 6.901 2.674 ( -1.331 -5.426 0.000) 5.587 2.757 ( -3.423 2.166 0.000) 4.051 2.872 ( 18.576 0.775 0.000) 18.593 3.055 ( -0.728 -1.303 0.000) 1.493 3.220 ( -3.964 -0.147 0.000) 3.967 3.255 ( 6.888 -0.418 0.000) 6.901 3.307 ( 3.201 2.430 0.000) 4.018 3.449 ( 1.272 -1.127 0.000) 1.699 3.694 ( 2.934 -3.597 0.000) 4.642 3.857 ( -2.766 1.556 0.000) 3.173 3.927 ( -1.033 -0.305 0.000) 1.077 3.998 ( 0.945 -0.350 0.000) 1.008 4.029 ( -0.159 -0.364 0.000) 0.397 4.036 ( 0.484 1.507 0.000) 1.583 4.151 ( -0.395 0.107 0.000) 0.409 4.155 ( -0.489 0.015 0.000) 0.489 4.250 ( 1.356 0.054 0.000) 1.357 4.322 ( -7.951 0.967 0.000) 8.010 4.334 ( -6.193 -1.001 0.000) 6.273 4.722 ( 5.070 1.544 0.000) 5.299 4.964 ( -0.691 4.152 0.000) 4.209 5.049 ( -3.078 1.122 0.000) 3.276 5.127 ( -0.760 -0.175 0.000) 0.780 ======================= Grid point 5 (6/129) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 1.798 0.048 0.000) 1.799 1.371 ( -1.087 -0.244 0.000) 1.114 1.395 ( -5.612 6.432 0.000) 8.536 1.517 ( 5.237 -5.015 0.000) 7.251 1.526 ( 2.108 -1.690 0.000) 2.702 1.621 ( 0.313 1.865 0.000) 1.892 1.650 ( -1.955 1.213 0.000) 2.300 1.729 ( -2.147 -0.054 0.000) 2.148 1.864 ( 9.593 2.098 0.000) 9.820 2.006 ( 7.710 0.478 0.000) 7.725 2.195 ( 10.444 -0.366 0.000) 10.450 2.218 ( 9.936 0.855 0.000) 9.972 2.457 ( -7.390 -5.210 0.000) 9.042 2.566 ( -9.752 -1.844 0.000) 9.925 2.622 ( -7.181 1.340 0.000) 7.305 2.957 ( -8.339 -0.483 0.000) 8.353 3.115 ( -6.115 -0.266 0.000) 6.121 3.230 ( 16.719 1.183 0.000) 16.761 3.413 ( 7.792 0.336 0.000) 7.799 3.413 ( 8.159 0.601 0.000) 8.181 3.543 ( 5.259 -1.939 0.000) 5.605 3.750 ( -4.565 -0.941 0.000) 4.661 3.780 ( 0.129 -2.877 0.000) 2.880 3.891 ( -2.591 0.300 0.000) 2.609 4.014 ( 0.472 -0.288 0.000) 0.553 4.031 ( -0.120 2.323 0.000) 2.327 4.033 ( 0.358 -0.259 0.000) 0.442 4.136 ( -1.103 -0.381 0.000) 1.167 4.146 ( -0.470 -0.032 0.000) 0.471 4.218 ( -2.600 1.412 0.000) 2.959 4.253 ( -2.831 -0.529 0.000) 2.880 4.263 ( 0.303 0.246 0.000) 0.390 4.778 ( 1.771 0.973 0.000) 2.020 4.934 ( -0.550 2.118 0.000) 2.189 4.996 ( -1.829 0.481 0.000) 1.891 5.117 ( -0.374 -0.159 0.000) 0.406 ======================= Grid point 6 (7/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 0.000 -0.000 0.000) 0.000 1.309 ( 0.000 -0.000 0.000) 0.000 1.394 ( 0.000 -0.000 0.000) 0.000 1.553 ( 0.000 -0.000 0.000) 0.000 1.568 ( 0.000 -0.000 0.000) 0.000 1.603 ( 0.000 -0.000 0.000) 0.000 1.632 ( 0.000 -0.000 0.000) 0.000 1.735 ( 0.000 -0.000 0.000) 0.000 1.994 ( 0.000 -0.000 0.000) 0.000 2.089 ( 0.000 -0.000 0.000) 0.000 2.323 ( 0.000 -0.000 0.000) 0.000 2.338 ( -0.000 -0.000 0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.455 ( 0.000 -0.000 0.000) 0.000 2.538 ( 0.000 -0.000 0.000) 0.000 2.850 ( 0.000 -0.000 0.000) 0.000 3.044 ( 0.000 -0.000 0.000) 0.000 3.426 ( 0.000 -0.000 0.000) 0.000 3.488 ( 0.000 -0.000 0.000) 0.000 3.530 ( 0.000 -0.000 0.000) 0.000 3.583 ( 0.000 -0.000 0.000) 0.000 3.670 ( 0.000 -0.000 0.000) 0.000 3.814 ( 0.000 -0.000 0.000) 0.000 3.844 ( 0.000 -0.000 0.000) 0.000 4.019 ( 0.000 -0.000 0.000) 0.000 4.020 ( 0.000 -0.000 0.000) 0.000 4.039 ( 0.000 -0.000 0.000) 0.000 4.121 ( 0.000 -0.000 0.000) 0.000 4.141 ( 0.000 -0.000 0.000) 0.000 4.193 ( 0.000 -0.000 0.000) 0.000 4.228 ( 0.000 -0.000 0.000) 0.000 4.265 ( 0.000 -0.000 0.000) 0.000 4.790 ( 0.000 -0.000 0.000) 0.000 4.922 ( 0.000 -0.000 0.000) 0.000 4.978 ( 0.000 -0.000 0.000) 0.000 5.114 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/129) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 15.981 -0.000 0.000) 15.981 0.910 ( 23.886 -0.000 0.000) 23.886 1.123 ( -3.448 0.000 0.000) 3.448 1.190 ( 10.522 -0.000 0.000) 10.522 1.248 ( 27.796 -0.000 0.000) 27.796 1.415 ( 3.158 -0.000 0.000) 3.158 1.450 ( 4.883 -0.000 0.000) 4.883 1.647 ( 2.803 -0.000 0.000) 2.803 1.668 ( -1.924 0.000 0.000) 1.924 1.845 ( 5.895 -0.000 0.000) 5.895 1.903 ( -8.231 0.000 0.000) 8.231 2.348 ( 5.148 -0.000 0.000) 5.148 2.379 ( 9.764 -0.000 0.000) 9.764 2.382 ( -11.491 0.000 0.000) 11.491 2.413 ( 15.969 -0.000 0.000) 15.969 2.612 ( -2.857 0.000 0.000) 2.857 2.953 ( 8.430 -0.000 0.000) 8.430 3.145 ( -1.009 0.000 0.000) 1.009 3.185 ( 5.203 -0.000 0.000) 5.203 3.350 ( -6.225 0.000 0.000) 6.225 3.557 ( -4.984 0.000 0.000) 4.984 3.665 ( 1.007 -0.000 0.000) 1.007 3.827 ( 3.252 -0.000 0.000) 3.252 3.891 ( 0.199 -0.000 0.000) 0.199 3.922 ( 4.055 -0.000 0.000) 4.055 4.042 ( -0.538 0.000 0.000) 0.538 4.089 ( 1.971 -0.000 0.000) 1.971 4.103 ( 3.036 -0.000 0.000) 3.036 4.183 ( -1.027 0.000 0.000) 1.027 4.183 ( -1.125 0.000 0.000) 1.125 4.435 ( 8.963 -0.000 0.000) 8.963 4.636 ( -8.589 0.000 0.000) 8.589 4.806 ( -13.699 0.000 0.000) 13.699 5.152 ( -1.025 0.000 0.000) 1.025 5.158 ( -4.585 0.000 0.000) 4.585 5.165 ( -1.117 0.000 0.000) 1.117 ======================= Grid point 15 (9/129) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 13.030 -0.451 0.000) 13.038 1.147 ( 5.972 0.804 0.000) 6.026 1.336 ( 22.566 6.098 0.000) 23.375 1.370 ( 6.419 -1.872 0.000) 6.686 1.437 ( 2.349 2.158 0.000) 3.190 1.530 ( 3.184 -2.008 0.000) 3.764 1.621 ( -2.421 0.156 0.000) 2.426 1.697 ( 13.042 -2.830 0.000) 13.346 1.740 ( 7.271 0.524 0.000) 7.290 1.759 ( -6.367 -0.955 0.000) 6.438 2.016 ( 11.571 -1.408 0.000) 11.656 2.158 ( -11.449 -0.195 0.000) 11.451 2.425 ( 1.812 2.222 0.000) 2.868 2.540 ( 2.430 -0.493 0.000) 2.479 2.623 ( 9.668 -1.577 0.000) 9.795 2.695 ( 12.135 0.485 0.000) 12.144 3.003 ( 0.203 -1.700 0.000) 1.712 3.233 ( -4.578 0.173 0.000) 4.581 3.248 ( 7.766 0.360 0.000) 7.774 3.249 ( 0.860 -0.160 0.000) 0.875 3.469 ( -3.656 -0.532 0.000) 3.695 3.650 ( -1.999 -0.480 0.000) 2.056 3.892 ( 2.685 1.509 0.000) 3.080 3.913 ( 1.464 -0.761 0.000) 1.650 3.972 ( 1.565 -0.096 0.000) 1.568 4.032 ( -0.557 -0.107 0.000) 0.568 4.064 ( -2.699 0.122 0.000) 2.702 4.146 ( 1.411 0.145 0.000) 1.418 4.166 ( -0.677 0.038 0.000) 0.678 4.210 ( 2.588 -0.044 0.000) 2.589 4.465 ( -8.622 -0.180 0.000) 8.624 4.537 ( -13.353 0.172 0.000) 13.354 4.611 ( 8.466 0.287 0.000) 8.471 5.066 ( -3.417 2.758 0.000) 4.391 5.122 ( -2.596 -0.028 0.000) 2.596 5.143 ( -1.099 -0.026 0.000) 1.099 ======================= Grid point 16 (10/129) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 9.677 -0.182 0.000) 9.679 1.308 ( 9.524 -0.972 0.000) 9.573 1.425 ( -1.160 -0.445 0.000) 1.242 1.449 ( 0.948 1.093 0.000) 1.446 1.578 ( 1.220 -0.947 0.000) 1.544 1.596 ( -0.037 -1.521 0.000) 1.521 1.647 ( -1.165 0.058 0.000) 1.166 1.727 ( 16.061 5.884 0.000) 17.105 1.828 ( -3.266 0.483 0.000) 3.302 1.911 ( 9.924 -0.838 0.000) 9.960 2.048 ( 5.224 0.482 0.000) 5.246 2.077 ( -2.729 5.531 0.000) 6.168 2.433 ( -3.692 -7.585 0.000) 8.436 2.615 ( 1.222 -4.241 0.000) 4.413 2.776 ( -3.753 1.228 0.000) 3.949 2.881 ( 17.918 0.608 0.000) 17.928 3.041 ( 0.891 -0.992 0.000) 1.333 3.218 ( -4.123 -0.095 0.000) 4.124 3.251 ( 7.137 -0.252 0.000) 7.141 3.331 ( 2.265 1.518 0.000) 2.727 3.447 ( 1.861 0.543 0.000) 1.938 3.655 ( 2.682 -2.862 0.000) 3.922 3.871 ( -4.503 0.814 0.000) 4.576 3.924 ( -0.651 -0.296 0.000) 0.715 3.995 ( 0.938 -0.210 0.000) 0.961 4.026 ( -0.112 -0.203 0.000) 0.232 4.051 ( 1.289 0.969 0.000) 1.612 4.152 ( -0.673 0.076 0.000) 0.678 4.155 ( -0.534 0.002 0.000) 0.534 4.250 ( 1.457 -0.011 0.000) 1.457 4.325 ( -5.938 -0.532 0.000) 5.962 4.331 ( -7.637 0.546 0.000) 7.656 4.736 ( 4.836 0.854 0.000) 4.911 4.999 ( -2.156 2.012 0.000) 2.949 5.062 ( -3.218 1.045 0.000) 3.383 5.125 ( -0.777 -0.098 0.000) 0.783 ======================= Grid point 17 (11/129) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 2.904 0.689 0.000) 2.984 1.371 ( -1.300 0.346 0.000) 1.345 1.447 ( -3.416 2.015 0.000) 3.966 1.461 ( 3.357 -4.598 0.000) 5.693 1.518 ( -1.045 0.501 0.000) 1.159 1.640 ( 3.938 1.336 0.000) 4.159 1.675 ( 1.251 2.985 0.000) 3.236 1.727 ( -3.168 -0.207 0.000) 3.174 1.875 ( 2.287 1.886 0.000) 2.964 2.043 ( 9.242 3.923 0.000) 10.040 2.185 ( 11.418 -1.338 0.000) 11.497 2.227 ( 9.555 0.592 0.000) 9.573 2.362 ( -6.871 -9.391 0.000) 11.636 2.558 ( -7.336 -0.575 0.000) 7.358 2.635 ( -7.832 0.975 0.000) 7.892 2.960 ( -7.885 0.719 0.000) 7.918 3.112 ( -6.081 -0.215 0.000) 6.085 3.242 ( 17.534 0.829 0.000) 17.553 3.413 ( 7.412 -0.021 0.000) 7.412 3.414 ( 7.057 -0.661 0.000) 7.088 3.537 ( 6.331 0.775 0.000) 6.378 3.739 ( -0.395 -1.430 0.000) 1.483 3.749 ( -4.062 -1.915 0.000) 4.490 3.892 ( -2.498 -0.116 0.000) 2.500 4.011 ( 0.650 -0.175 0.000) 0.673 4.030 ( 0.403 -0.222 0.000) 0.460 4.054 ( -0.608 1.727 0.000) 1.831 4.132 ( -1.220 -0.417 0.000) 1.289 4.146 ( -0.461 -0.021 0.000) 0.461 4.232 ( -2.867 1.011 0.000) 3.040 4.248 ( -2.554 -0.374 0.000) 2.581 4.266 ( 0.339 0.177 0.000) 0.383 4.788 ( 1.306 0.702 0.000) 1.483 4.957 ( -1.348 1.818 0.000) 2.264 5.000 ( -2.529 0.136 0.000) 2.533 5.115 ( -0.318 -0.117 0.000) 0.339 ======================= Grid point 18 (12/129) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 0.757 2.015 0.000) 2.152 1.332 ( -3.463 3.848 0.000) 5.176 1.394 ( 0.023 0.001 0.000) 0.023 1.519 ( 1.347 -4.843 0.000) 5.027 1.550 ( 1.199 -2.507 0.000) 2.779 1.638 ( 0.021 5.415 0.000) 5.415 1.655 ( -0.297 2.739 0.000) 2.755 1.736 ( 0.374 0.216 0.000) 0.432 1.963 ( -1.032 -4.067 0.000) 4.196 2.086 ( -0.170 -3.194 0.000) 3.199 2.290 ( -6.995 -2.209 0.000) 7.336 2.323 ( -0.585 0.006 0.000) 0.585 2.386 ( 7.732 1.510 0.000) 7.878 2.463 ( 1.208 0.850 0.000) 1.477 2.538 ( -0.868 -0.081 0.000) 0.872 2.858 ( 1.003 1.371 0.000) 1.699 3.044 ( 0.236 -0.005 0.000) 0.236 3.432 ( -1.488 1.148 0.000) 1.880 3.488 ( -0.058 -0.012 0.000) 0.060 3.522 ( -2.448 -1.378 0.000) 2.809 3.579 ( 1.963 -0.436 0.000) 2.011 3.680 ( 3.768 1.602 0.000) 4.095 3.804 ( 2.799 -1.424 0.000) 3.141 3.848 ( -1.846 0.477 0.000) 1.907 4.020 ( 0.227 0.152 0.000) 0.273 4.021 ( -1.671 0.102 0.000) 1.674 4.038 ( 0.150 -0.137 0.000) 0.203 4.118 ( -0.029 -0.480 0.000) 0.481 4.141 ( 0.034 0.020 0.000) 0.039 4.195 ( -0.891 0.234 0.000) 0.922 4.228 ( 0.302 -0.023 0.000) 0.303 4.266 ( -0.182 0.118 0.000) 0.217 4.790 ( -0.596 0.014 0.000) 0.596 4.924 ( -1.180 0.454 0.000) 1.264 4.975 ( -0.261 -0.403 0.000) 0.480 5.114 ( 0.107 -0.007 0.000) 0.107 ======================= Grid point 19 (13/129) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -2.120 0.634 0.000) 2.213 1.326 ( 2.557 -4.824 0.000) 5.460 1.375 ( 0.897 0.403 0.000) 0.983 1.540 ( -2.934 -0.287 0.000) 2.948 1.573 ( -7.072 4.472 0.000) 8.367 1.600 ( 4.782 -1.682 0.000) 5.069 1.639 ( -1.757 -1.033 0.000) 2.039 1.728 ( 1.235 -0.322 0.000) 1.276 1.831 ( -8.006 -1.721 0.000) 8.189 2.039 ( -5.081 4.917 0.000) 7.071 2.195 ( -8.023 -0.309 0.000) 8.029 2.208 ( -10.398 -0.931 0.000) 10.440 2.455 ( 7.273 -4.187 0.000) 8.392 2.606 ( 6.448 -1.351 0.000) 6.588 2.615 ( 10.626 5.261 0.000) 11.858 2.971 ( 8.721 1.857 0.000) 8.916 3.117 ( 6.139 0.237 0.000) 6.143 3.216 ( -16.701 -1.161 0.000) 16.741 3.397 ( -9.183 -1.603 0.000) 9.322 3.413 ( -7.160 0.014 0.000) 7.160 3.578 ( -3.969 3.801 0.000) 5.495 3.762 ( 3.633 1.120 0.000) 3.802 3.810 ( 0.059 2.254 0.000) 2.255 3.883 ( 2.972 -1.112 0.000) 3.173 4.004 ( -0.522 -2.262 0.000) 2.322 4.018 ( -0.355 0.344 0.000) 0.494 4.036 ( -0.227 0.209 0.000) 0.308 4.140 ( 1.312 0.185 0.000) 1.325 4.146 ( 0.460 0.032 0.000) 0.462 4.201 ( 2.107 -1.392 0.000) 2.525 4.259 ( 3.204 0.555 0.000) 3.251 4.260 ( -0.399 -0.264 0.000) 0.479 4.766 ( -2.345 -0.991 0.000) 2.546 4.911 ( -0.792 -1.879 0.000) 2.039 4.990 ( 1.453 -0.632 0.000) 1.585 5.119 ( 0.445 0.158 0.000) 0.472 ======================= Grid point 20 (14/129) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -8.780 0.938 0.000) 8.830 1.329 ( -10.251 0.428 0.000) 10.260 1.400 ( -4.449 -6.829 0.000) 8.150 1.459 ( -15.972 -6.775 0.000) 17.349 1.459 ( 1.501 2.582 0.000) 2.987 1.509 ( 1.597 -7.172 0.000) 7.348 1.651 ( 0.426 2.745 0.000) 2.777 1.773 ( 0.314 5.564 0.000) 5.573 1.804 ( 0.779 -1.665 0.000) 1.838 1.946 ( -5.076 3.659 0.000) 6.257 2.032 ( -2.934 -0.727 0.000) 3.023 2.052 ( -0.498 3.350 0.000) 3.387 2.579 ( 1.616 3.227 0.000) 3.609 2.729 ( 2.893 -2.577 0.000) 3.875 2.730 ( 1.512 4.361 0.000) 4.615 2.865 ( -18.117 -0.513 0.000) 18.125 3.065 ( 0.198 0.283 0.000) 0.345 3.221 ( 3.827 0.140 0.000) 3.830 3.261 ( -6.621 0.460 0.000) 6.637 3.285 ( -1.834 -1.210 0.000) 2.198 3.474 ( -2.068 3.153 0.000) 3.770 3.732 ( -2.904 2.958 0.000) 4.146 3.834 ( 0.139 -2.469 0.000) 2.473 3.930 ( 1.530 0.186 0.000) 1.541 4.002 ( -0.963 0.382 0.000) 1.036 4.019 ( 0.834 -1.301 0.000) 1.545 4.033 ( 0.234 0.443 0.000) 0.501 4.150 ( 0.023 -0.093 0.000) 0.095 4.155 ( 0.423 -0.041 0.000) 0.425 4.248 ( -1.241 -0.238 0.000) 1.264 4.310 ( 8.413 -1.141 0.000) 8.490 4.347 ( 6.617 1.309 0.000) 6.745 4.702 ( -5.465 -1.913 0.000) 5.790 4.909 ( -1.534 -5.097 0.000) 5.323 5.037 ( 3.067 -0.943 0.000) 3.208 5.129 ( 0.740 0.211 0.000) 0.770 ======================= Grid point 21 (15/129) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -11.849 1.664 0.000) 11.965 1.116 ( -22.272 -9.086 0.000) 24.054 1.134 ( -7.855 0.740 0.000) 7.890 1.328 ( -5.312 -5.565 0.000) 7.694 1.446 ( -5.213 3.250 0.000) 6.143 1.584 ( -0.594 -2.172 0.000) 2.252 1.611 ( -2.049 -0.706 0.000) 2.167 1.710 ( -4.665 -1.645 0.000) 4.946 1.728 ( -3.610 0.956 0.000) 3.734 1.834 ( -3.043 3.994 0.000) 5.021 2.067 ( -2.168 2.589 0.000) 3.377 2.174 ( 11.878 1.267 0.000) 11.945 2.436 ( -10.510 4.890 0.000) 11.592 2.514 ( -10.000 -1.497 0.000) 10.111 2.662 ( -11.095 -2.368 0.000) 11.345 2.712 ( -5.417 4.868 0.000) 7.283 3.040 ( -2.838 -1.148 0.000) 3.062 3.229 ( 2.486 0.009 0.000) 2.486 3.253 ( 0.307 0.041 0.000) 0.309 3.268 ( -0.497 3.479 0.000) 3.514 3.493 ( 4.072 1.239 0.000) 4.256 3.678 ( -1.297 1.728 0.000) 2.160 3.826 ( -2.084 -3.963 0.000) 4.478 3.931 ( -0.979 0.884 0.000) 1.319 3.977 ( -1.613 0.323 0.000) 1.645 4.038 ( 0.505 0.455 0.000) 0.680 4.058 ( 2.710 -0.304 0.000) 2.727 4.139 ( -1.549 -0.430 0.000) 1.607 4.164 ( 0.539 -0.161 0.000) 0.563 4.211 ( -2.614 0.024 0.000) 2.614 4.475 ( 4.636 0.622 0.000) 4.678 4.527 ( 13.018 -0.687 0.000) 13.036 4.594 ( -4.191 -1.010 0.000) 4.311 4.912 ( -2.388 -9.503 0.000) 9.798 5.116 ( 4.666 -0.547 0.000) 4.698 5.145 ( 0.990 0.105 0.000) 0.995 ======================= Grid point 22 (16/129) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -14.605 2.874 0.000) 14.885 0.728 ( -22.449 -5.835 0.000) 23.195 1.072 ( 1.527 -1.644 0.000) 2.244 1.244 ( -10.966 2.123 0.000) 11.169 1.287 ( -3.054 -7.290 0.000) 7.903 1.485 ( -14.893 9.001 0.000) 17.402 1.550 ( -9.985 7.061 0.000) 12.229 1.611 ( -0.823 -2.064 0.000) 2.222 1.679 ( 0.320 0.194 0.000) 0.375 1.721 ( -5.904 -6.558 0.000) 8.824 1.949 ( -3.241 0.974 0.000) 3.384 2.326 ( -4.221 -0.913 0.000) 4.318 2.331 ( -4.444 -2.150 0.000) 4.937 2.429 ( -0.680 -0.064 0.000) 0.683 2.464 ( 0.357 2.117 0.000) 2.147 2.591 ( -2.156 2.558 0.000) 3.346 2.947 ( -7.196 -0.615 0.000) 7.222 3.180 ( -5.257 -0.299 0.000) 5.265 3.234 ( 0.392 5.913 0.000) 5.926 3.346 ( 6.058 -0.336 0.000) 6.068 3.575 ( 3.722 1.412 0.000) 3.981 3.646 ( -1.282 -1.748 0.000) 2.167 3.815 ( -0.961 -0.681 0.000) 1.178 3.907 ( -0.218 1.231 0.000) 1.251 3.926 ( -4.094 0.269 0.000) 4.103 4.046 ( 0.451 0.292 0.000) 0.537 4.084 ( -2.800 -0.251 0.000) 2.811 4.101 ( -1.579 -0.362 0.000) 1.620 4.175 ( 0.099 -0.621 0.000) 0.629 4.179 ( 0.848 -0.333 0.000) 0.911 4.387 ( -8.616 -3.261 0.000) 9.213 4.684 ( 8.625 3.319 0.000) 9.242 4.728 ( 1.806 -7.371 0.000) 7.589 4.968 ( 5.170 -8.633 0.000) 10.063 5.164 ( 1.071 -0.014 0.000) 1.071 5.218 ( 6.096 0.964 0.000) 6.172 ======================= Grid point 23 (17/129) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( -15.191 4.252 0.000) 15.774 0.410 ( -15.787 5.036 0.000) 16.571 0.934 ( -26.697 21.079 0.000) 34.015 1.031 ( -6.803 2.143 0.000) 7.133 1.233 ( 10.061 -3.718 0.000) 10.726 1.275 ( -3.464 -6.453 0.000) 7.324 1.438 ( -1.287 1.241 0.000) 1.788 1.582 ( -3.475 -2.426 0.000) 4.238 1.639 ( -7.711 -6.736 0.000) 10.239 1.689 ( -0.066 0.584 0.000) 0.588 1.977 ( 3.745 -7.746 0.000) 8.604 2.114 ( -11.624 -2.051 0.000) 11.803 2.262 ( -2.783 -0.352 0.000) 2.805 2.391 ( 0.742 9.034 0.000) 9.065 2.606 ( 8.942 2.514 0.000) 9.288 2.613 ( 1.449 -2.589 0.000) 2.967 2.817 ( -3.107 5.072 0.000) 5.948 3.064 ( -6.531 -0.400 0.000) 6.543 3.233 ( 1.975 2.068 0.000) 2.860 3.453 ( 4.780 -0.328 0.000) 4.791 3.563 ( -2.736 -2.846 0.000) 3.948 3.695 ( 3.912 2.908 0.000) 4.874 3.795 ( -0.412 0.055 0.000) 0.416 3.813 ( -6.970 0.103 0.000) 6.971 3.918 ( 1.707 1.135 0.000) 2.050 4.007 ( -4.599 -0.969 0.000) 4.700 4.049 ( -3.130 0.748 0.000) 3.218 4.051 ( 0.254 0.118 0.000) 0.280 4.198 ( 0.712 -0.644 0.000) 0.960 4.209 ( 1.488 -1.484 0.000) 2.102 4.280 ( -3.951 -2.583 0.000) 4.721 4.634 ( -22.199 -24.530 0.000) 33.084 4.802 ( 5.222 3.347 0.000) 6.202 5.158 ( 7.852 -3.031 0.000) 8.417 5.183 ( 0.761 -0.013 0.000) 0.761 5.342 ( 8.924 4.038 0.000) 9.795 ======================= Grid point 24 (18/129) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.139 ( -0.000 11.587 0.000) 11.587 0.269 ( -0.000 23.345 0.000) 23.345 0.338 ( -0.000 29.387 0.000) 29.387 0.949 ( -0.000 1.760 0.000) 1.760 1.251 ( 0.000 -6.078 0.000) 6.078 1.431 ( -0.000 0.360 0.000) 0.360 1.441 ( -0.000 3.525 0.000) 3.525 1.517 ( 0.000 -8.859 0.000) 8.859 1.585 ( 0.000 -6.317 0.000) 6.317 1.666 ( -0.000 3.641 0.000) 3.641 2.005 ( 0.000 -1.266 0.000) 1.266 2.105 ( 0.000 -12.759 0.000) 12.759 2.231 ( 0.000 -0.917 0.000) 0.917 2.374 ( -0.000 10.195 0.000) 10.195 2.635 ( 0.000 -1.246 0.000) 1.246 2.698 ( -0.000 2.031 0.000) 2.031 2.940 ( -0.000 1.266 0.000) 1.266 2.985 ( 0.000 -0.524 0.000) 0.524 3.257 ( 0.000 -0.513 0.000) 0.513 3.512 ( 0.000 -0.222 0.000) 0.222 3.598 ( 0.000 -6.322 0.000) 6.322 3.724 ( -0.000 0.021 0.000) 0.021 3.760 ( 0.000 -0.345 0.000) 0.345 3.773 ( -0.000 1.568 0.000) 1.568 3.834 ( -0.000 1.974 0.000) 1.974 3.967 ( -0.000 2.033 0.000) 2.033 3.997 ( -0.000 0.320 0.000) 0.320 4.046 ( 0.000 -0.004 0.000) 0.004 4.054 ( -0.000 0.042 0.000) 0.042 4.209 ( 0.000 -0.686 0.000) 0.686 4.238 ( 0.000 -0.212 0.000) 0.212 4.257 ( 0.000 -1.651 0.000) 1.651 4.836 ( -0.000 2.581 0.000) 2.581 5.191 ( -0.000 0.007 0.000) 0.007 5.246 ( 0.000 -2.114 0.000) 2.114 5.488 ( 0.000 -0.522 0.000) 0.522 ======================= Grid point 27 (19/129) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 9.840 -0.000 0.000) 9.840 1.302 ( 8.547 -0.000 0.000) 8.547 1.423 ( -0.008 0.000 0.000) 0.008 1.456 ( -0.232 0.000 0.000) 0.232 1.568 ( 1.853 -0.000 0.000) 1.853 1.587 ( -0.194 0.000 0.000) 0.194 1.642 ( -3.155 0.000 0.000) 3.155 1.773 ( 19.141 -0.000 0.000) 19.141 1.831 ( -3.583 0.000 0.000) 3.583 1.901 ( 10.563 -0.000 0.000) 10.563 2.051 ( 5.483 -0.000 0.000) 5.483 2.123 ( -2.096 0.000 0.000) 2.096 2.379 ( -7.077 0.000 0.000) 7.077 2.589 ( 2.833 -0.000 0.000) 2.833 2.783 ( -3.863 0.000 0.000) 3.863 2.884 ( 17.560 -0.000 0.000) 17.560 3.035 ( 1.776 -0.000 0.000) 1.776 3.218 ( -4.200 0.000 0.000) 4.200 3.250 ( 7.245 -0.000 0.000) 7.245 3.340 ( 1.379 -0.000 0.000) 1.379 3.452 ( 2.644 -0.000 0.000) 2.644 3.637 ( 2.449 -0.000 0.000) 2.449 3.875 ( -5.161 0.000 0.000) 5.161 3.922 ( -0.437 0.000 0.000) 0.437 3.994 ( 0.937 -0.000 0.000) 0.937 4.024 ( -0.097 0.000 0.000) 0.097 4.056 ( 1.534 -0.000 0.000) 1.534 4.152 ( -0.777 0.000 0.000) 0.777 4.155 ( -0.550 0.000 0.000) 0.550 4.250 ( 1.497 -0.000 0.000) 1.497 4.322 ( -5.854 0.000 0.000) 5.854 4.334 ( -7.525 0.000 0.000) 7.525 4.741 ( 4.759 -0.000 0.000) 4.759 5.010 ( -2.581 0.000 0.000) 2.581 5.069 ( -3.374 0.000 0.000) 3.374 5.125 ( -0.783 0.000 0.000) 0.783 ======================= Grid point 28 (20/129) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 4.582 0.440 0.000) 4.604 1.382 ( -1.300 1.752 0.000) 2.182 1.415 ( 1.301 -3.455 0.000) 3.692 1.454 ( -0.135 0.022 0.000) 0.137 1.525 ( -3.364 0.349 0.000) 3.382 1.651 ( 6.147 0.497 0.000) 6.167 1.698 ( 6.423 0.743 0.000) 6.466 1.725 ( -4.054 -0.116 0.000) 4.055 1.936 ( -4.357 7.905 0.000) 9.026 2.045 ( 1.782 -4.716 0.000) 5.041 2.173 ( 11.732 -0.152 0.000) 11.733 2.231 ( 9.343 0.211 0.000) 9.346 2.281 ( 0.313 -3.739 0.000) 3.752 2.550 ( -6.469 -0.584 0.000) 6.496 2.643 ( -8.215 0.356 0.000) 8.222 2.968 ( -7.559 0.509 0.000) 7.576 3.110 ( -6.055 -0.083 0.000) 6.056 3.248 ( 18.462 0.297 0.000) 18.465 3.405 ( 5.823 -0.577 0.000) 5.851 3.413 ( 7.477 -0.009 0.000) 7.477 3.550 ( 6.558 0.924 0.000) 6.623 3.719 ( 4.127 -1.278 0.000) 4.320 3.740 ( -8.283 -0.229 0.000) 8.286 3.890 ( -2.529 -0.100 0.000) 2.531 4.010 ( 0.790 -0.055 0.000) 0.792 4.028 ( 0.395 -0.089 0.000) 0.405 4.068 ( -0.779 0.665 0.000) 1.024 4.128 ( -1.418 -0.209 0.000) 1.434 4.145 ( -0.449 -0.007 0.000) 0.449 4.240 ( -3.007 0.364 0.000) 3.029 4.245 ( -2.412 -0.134 0.000) 2.416 4.267 ( 0.416 0.065 0.000) 0.421 4.793 ( 1.050 0.255 0.000) 1.080 4.973 ( -1.258 0.835 0.000) 1.510 5.000 ( -3.486 -0.109 0.000) 3.488 5.114 ( -0.288 -0.043 0.000) 0.291 ======================= Grid point 29 (21/129) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 1.325 3.451 0.000) 3.697 1.389 ( -4.390 5.740 0.000) 7.227 1.395 ( 0.004 0.085 0.000) 0.086 1.459 ( 1.849 -5.258 0.000) 5.574 1.513 ( -0.287 -4.131 0.000) 4.141 1.680 ( -0.087 1.531 0.000) 1.533 1.722 ( -0.630 9.272 0.000) 9.293 1.740 ( 0.736 0.320 0.000) 0.803 1.921 ( -2.553 -2.941 0.000) 3.894 1.997 ( 1.586 -10.827 0.000) 10.942 2.308 ( -4.715 4.091 0.000) 6.243 2.323 ( -1.024 0.006 0.000) 1.024 2.388 ( 3.021 -1.010 0.000) 3.185 2.464 ( 5.450 -0.644 0.000) 5.488 2.537 ( -1.504 -0.082 0.000) 1.506 2.876 ( 1.678 1.458 0.000) 2.223 3.044 ( 0.408 -0.005 0.000) 0.409 3.450 ( -2.631 1.939 0.000) 3.268 3.488 ( -0.101 -0.012 0.000) 0.102 3.501 ( -4.185 -2.119 0.000) 4.691 3.575 ( 4.868 -0.286 0.000) 4.876 3.700 ( 5.219 1.547 0.000) 5.444 3.788 ( 3.197 -1.194 0.000) 3.413 3.851 ( -1.524 0.065 0.000) 1.526 4.022 ( 0.406 0.193 0.000) 0.449 4.023 ( -3.061 0.160 0.000) 3.066 4.036 ( 0.247 -0.179 0.000) 0.305 4.112 ( -0.083 -0.490 0.000) 0.497 4.141 ( 0.058 0.020 0.000) 0.061 4.198 ( -1.438 0.217 0.000) 1.454 4.228 ( 0.523 -0.023 0.000) 0.524 4.267 ( -0.324 0.113 0.000) 0.343 4.790 ( -1.032 0.014 0.000) 1.032 4.931 ( -2.279 0.589 0.000) 2.354 4.969 ( -0.218 -0.538 0.000) 0.580 5.114 ( 0.186 -0.007 0.000) 0.186 ======================= Grid point 30 (22/129) ======================= q-point: (-0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -2.035 -0.022 0.000) 2.035 1.328 ( -3.281 0.829 0.000) 3.384 1.379 ( 0.178 0.368 0.000) 0.409 1.497 ( -5.535 -6.995 0.000) 8.920 1.575 ( 6.968 -1.643 0.000) 7.159 1.626 ( -5.039 3.994 0.000) 6.429 1.634 ( -7.820 0.356 0.000) 7.828 1.721 ( 0.464 -0.900 0.000) 1.013 1.846 ( 0.436 3.739 0.000) 3.764 2.096 ( -3.704 4.368 0.000) 5.727 2.189 ( -4.283 -0.564 0.000) 4.320 2.198 ( -10.821 -0.747 0.000) 10.847 2.393 ( 6.207 -5.810 0.000) 8.502 2.592 ( 5.826 -0.996 0.000) 5.911 2.662 ( 10.747 2.777 0.000) 11.100 2.995 ( 8.703 2.055 0.000) 8.942 3.120 ( 6.148 0.156 0.000) 6.150 3.205 ( -17.369 -0.750 0.000) 17.385 3.381 ( -8.848 -1.165 0.000) 8.924 3.414 ( -7.040 0.005 0.000) 7.040 3.624 ( -2.302 4.012 0.000) 4.625 3.775 ( 2.153 1.155 0.000) 2.444 3.826 ( -0.623 0.162 0.000) 0.644 3.869 ( 3.959 -1.011 0.000) 4.086 3.982 ( -0.837 -1.477 0.000) 1.698 4.022 ( -0.339 0.294 0.000) 0.449 4.037 ( -0.033 0.115 0.000) 0.120 4.140 ( 1.992 -0.106 0.000) 1.995 4.147 ( 0.434 0.021 0.000) 0.434 4.188 ( 1.264 -0.889 0.000) 1.545 4.258 ( -0.609 -0.215 0.000) 0.646 4.265 ( 3.577 0.425 0.000) 3.602 4.756 ( -2.879 -0.739 0.000) 2.972 4.893 ( -2.124 -1.250 0.000) 2.465 4.983 ( 1.321 -0.528 0.000) 1.423 5.120 ( 0.512 0.115 0.000) 0.525 ======================= Grid point 31 (23/129) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -8.192 1.007 0.000) 8.253 1.293 ( -7.759 -9.640 0.000) 12.375 1.330 ( -7.953 -0.133 0.000) 7.954 1.380 ( -7.220 -7.599 0.000) 10.482 1.466 ( -6.515 -0.965 0.000) 6.586 1.496 ( -0.923 3.516 0.000) 3.635 1.679 ( 1.016 2.125 0.000) 2.355 1.783 ( -0.944 -2.064 0.000) 2.270 1.824 ( -2.516 2.961 0.000) 3.885 2.000 ( -3.895 5.749 0.000) 6.944 2.025 ( -1.073 -0.456 0.000) 1.166 2.106 ( 1.589 5.464 0.000) 5.690 2.591 ( 5.872 -1.021 0.000) 5.960 2.700 ( 2.254 -2.315 0.000) 3.231 2.770 ( -3.244 2.511 0.000) 4.102 2.862 ( -13.439 0.053 0.000) 13.440 3.061 ( -3.411 -0.840 0.000) 3.512 3.223 ( 3.738 0.095 0.000) 3.739 3.265 ( -6.397 0.383 0.000) 6.409 3.281 ( 0.941 0.311 0.000) 0.991 3.520 ( -2.996 4.923 0.000) 5.763 3.756 ( -2.598 0.773 0.000) 2.711 3.803 ( -2.700 -2.666 0.000) 3.795 3.932 ( 2.134 0.206 0.000) 2.144 4.006 ( -0.991 0.312 0.000) 1.039 4.008 ( 2.098 -0.631 0.000) 2.190 4.038 ( 0.324 0.407 0.000) 0.521 4.149 ( -0.348 -0.065 0.000) 0.354 4.154 ( 0.351 -0.061 0.000) 0.357 4.244 ( -1.175 -0.441 0.000) 1.255 4.298 ( 8.921 -1.002 0.000) 8.977 4.363 ( 7.181 1.308 0.000) 7.299 4.680 ( -6.000 -1.812 0.000) 6.267 4.854 ( -3.853 -4.438 0.000) 5.877 5.028 ( 3.083 -0.726 0.000) 3.168 5.131 ( 0.723 0.190 0.000) 0.748 ======================= Grid point 32 (24/129) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -11.380 1.914 0.000) 11.539 1.038 ( -18.045 -4.344 0.000) 18.560 1.151 ( -7.823 2.096 0.000) 8.099 1.270 ( -7.474 -4.393 0.000) 8.669 1.475 ( -5.018 1.836 0.000) 5.344 1.512 ( 2.077 -9.565 0.000) 9.788 1.598 ( -6.379 -1.732 0.000) 6.610 1.696 ( -1.841 -0.743 0.000) 1.986 1.736 ( -5.120 -0.492 0.000) 5.144 1.892 ( -4.135 6.614 0.000) 7.800 2.103 ( -3.400 3.639 0.000) 4.980 2.192 ( 12.448 1.837 0.000) 12.583 2.474 ( -13.212 0.023 0.000) 13.212 2.529 ( -8.481 5.082 0.000) 9.887 2.631 ( -10.720 -2.896 0.000) 11.104 2.768 ( -4.748 4.957 0.000) 6.864 3.009 ( -3.065 -3.734 0.000) 4.831 3.231 ( 1.826 0.261 0.000) 1.845 3.252 ( 0.363 -0.152 0.000) 0.393 3.313 ( 1.646 3.606 0.000) 3.964 3.510 ( 3.675 2.069 0.000) 4.217 3.698 ( -3.255 1.570 0.000) 3.614 3.778 ( -0.876 -4.515 0.000) 4.599 3.942 ( -0.495 0.999 0.000) 1.115 3.981 ( -1.646 0.292 0.000) 1.672 4.044 ( 0.489 0.509 0.000) 0.706 4.056 ( 2.567 -0.155 0.000) 2.572 4.134 ( -1.554 -0.383 0.000) 1.600 4.162 ( 0.452 -0.180 0.000) 0.487 4.211 ( -2.561 -0.115 0.000) 2.564 4.482 ( 0.044 0.550 0.000) 0.552 4.519 ( 12.743 -0.617 0.000) 12.757 4.583 ( 0.590 -0.934 0.000) 1.105 4.801 ( -5.310 -9.610 0.000) 10.979 5.109 ( 5.071 -0.560 0.000) 5.102 5.146 ( 0.904 0.111 0.000) 0.910 ======================= Grid point 33 (25/129) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -14.541 4.167 0.000) 15.126 0.758 ( -13.891 2.493 0.000) 14.113 1.066 ( 0.821 0.757 0.000) 1.117 1.200 ( -3.384 -7.597 0.000) 8.316 1.259 ( -12.214 0.562 0.000) 12.227 1.536 ( -4.525 0.513 0.000) 4.554 1.587 ( -0.065 -1.997 0.000) 1.998 1.615 ( -8.692 -0.866 0.000) 8.736 1.674 ( -15.741 2.020 0.000) 15.870 1.680 ( -0.178 -0.044 0.000) 0.183 1.956 ( -6.556 0.394 0.000) 6.568 2.311 ( -8.245 -1.335 0.000) 8.352 2.312 ( -5.560 -0.650 0.000) 5.598 2.428 ( 0.653 0.436 0.000) 0.785 2.483 ( 4.404 1.107 0.000) 4.541 2.641 ( -3.858 5.269 0.000) 6.530 2.937 ( -5.596 -1.145 0.000) 5.712 3.177 ( -5.325 -0.256 0.000) 5.331 3.296 ( -0.558 4.693 0.000) 4.726 3.342 ( 5.904 -0.385 0.000) 5.916 3.593 ( 2.955 1.708 0.000) 3.413 3.623 ( -1.908 -2.025 0.000) 2.782 3.809 ( 1.470 -0.321 0.000) 1.505 3.922 ( -0.168 1.487 0.000) 1.497 3.929 ( -4.111 0.303 0.000) 4.123 4.050 ( 0.375 0.417 0.000) 0.561 4.082 ( -2.981 0.018 0.000) 2.981 4.095 ( -0.893 -0.670 0.000) 1.117 4.167 ( -0.959 -0.720 0.000) 1.199 4.174 ( 0.644 -0.395 0.000) 0.755 4.350 ( -8.844 -3.152 0.000) 9.389 4.625 ( -8.016 -10.220 0.000) 12.989 4.722 ( 9.222 3.176 0.000) 9.754 4.885 ( 10.926 -5.967 0.000) 12.449 5.164 ( 1.030 -0.015 0.000) 1.030 5.225 ( 6.983 0.391 0.000) 6.994 ======================= Grid point 34 (26/129) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -13.890 4.325 0.000) 14.548 0.500 ( 0.561 18.143 0.000) 18.151 1.058 ( -6.915 2.157 0.000) 7.244 1.155 ( -20.933 13.124 0.000) 24.707 1.187 ( 9.438 -3.731 0.000) 10.149 1.203 ( -4.854 -2.248 0.000) 5.350 1.423 ( -5.345 -3.835 0.000) 6.579 1.560 ( -4.318 -1.438 0.000) 4.551 1.574 ( -4.639 -3.980 0.000) 6.112 1.689 ( 0.424 -0.637 0.000) 0.765 1.889 ( -1.473 -7.409 0.000) 7.554 2.087 ( -11.353 -2.605 0.000) 11.648 2.245 ( -3.492 -2.513 0.000) 4.302 2.471 ( 3.606 4.269 0.000) 5.588 2.594 ( 0.381 -0.052 0.000) 0.385 2.637 ( 8.988 2.775 0.000) 9.407 2.860 ( -0.155 2.212 0.000) 2.218 3.059 ( -6.708 -0.467 0.000) 6.725 3.259 ( -0.686 2.193 0.000) 2.298 3.448 ( 4.802 -0.444 0.000) 4.822 3.538 ( -3.269 -1.386 0.000) 3.551 3.707 ( 4.596 -0.681 0.000) 4.646 3.810 ( -0.695 2.365 0.000) 2.465 3.814 ( -7.084 0.149 0.000) 7.085 3.932 ( 1.521 1.295 0.000) 1.998 3.996 ( -4.995 -0.738 0.000) 5.049 4.053 ( 0.194 0.230 0.000) 0.300 4.056 ( -2.688 0.487 0.000) 2.732 4.184 ( -0.180 -2.944 0.000) 2.949 4.187 ( 0.048 -1.250 0.000) 1.251 4.249 ( -3.229 -2.679 0.000) 4.196 4.415 ( -21.157 -13.712 0.000) 25.212 4.845 ( 5.399 3.986 0.000) 6.711 5.114 ( 7.801 -4.597 0.000) 9.055 5.183 ( 0.812 0.020 0.000) 0.813 5.370 ( 8.598 1.431 0.000) 8.716 ======================= Grid point 35 (27/129) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.257 ( -0.000 8.701 0.000) 8.701 0.528 ( -0.000 21.802 0.000) 21.802 0.667 ( -0.000 28.163 0.000) 28.163 0.975 ( -0.000 2.416 0.000) 2.416 1.171 ( 0.000 -7.477 0.000) 7.477 1.414 ( 0.000 -8.637 0.000) 8.637 1.436 ( -0.000 0.631 0.000) 0.631 1.480 ( -0.000 3.076 0.000) 3.076 1.487 ( 0.000 -10.404 0.000) 10.404 1.690 ( -0.000 0.796 0.000) 0.796 1.957 ( 0.000 -13.075 0.000) 13.075 1.985 ( 0.000 -2.141 0.000) 2.141 2.215 ( 0.000 -1.805 0.000) 1.805 2.479 ( -0.000 8.086 0.000) 8.086 2.615 ( 0.000 -2.314 0.000) 2.314 2.729 ( -0.000 3.131 0.000) 3.131 2.949 ( 0.000 -0.408 0.000) 0.408 2.976 ( 0.000 -0.912 0.000) 0.912 3.249 ( 0.000 -0.959 0.000) 0.959 3.509 ( 0.000 -0.375 0.000) 0.375 3.531 ( 0.000 -4.625 0.000) 4.625 3.724 ( -0.000 0.034 0.000) 0.034 3.755 ( 0.000 -0.501 0.000) 0.501 3.768 ( 0.000 -1.674 0.000) 1.674 3.872 ( -0.000 3.852 0.000) 3.852 3.995 ( -0.000 2.769 0.000) 2.769 4.002 ( -0.000 0.533 0.000) 0.533 4.045 ( 0.000 -0.018 0.000) 0.018 4.054 ( -0.000 0.115 0.000) 0.115 4.195 ( 0.000 -1.891 0.000) 1.891 4.235 ( 0.000 -0.255 0.000) 0.255 4.236 ( 0.000 -1.756 0.000) 1.756 4.874 ( -0.000 3.965 0.000) 3.965 5.191 ( -0.000 0.067 0.000) 0.067 5.211 ( 0.000 -4.043 0.000) 4.043 5.480 ( 0.000 -0.680 0.000) 0.680 ======================= Grid point 40 (28/129) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 1.500 -0.000 0.000) 1.500 1.399 ( -0.675 0.000 0.000) 0.675 1.414 ( 2.708 -0.000 0.000) 2.708 1.449 ( -1.634 0.000 0.000) 1.634 1.463 ( -3.820 0.000 0.000) 3.820 1.689 ( -0.016 0.000 0.000) 0.016 1.742 ( 0.909 -0.000 0.000) 0.909 1.821 ( -6.694 0.000 0.000) 6.694 1.876 ( -1.922 0.000 0.000) 1.922 1.915 ( 7.109 -0.000 0.000) 7.109 2.323 ( -1.190 0.000 0.000) 1.190 2.349 ( -4.836 0.000 0.000) 4.836 2.369 ( 0.596 -0.000 0.000) 0.596 2.458 ( 8.343 -0.000 0.000) 8.343 2.536 ( -1.737 0.000 0.000) 1.737 2.885 ( 1.898 -0.000 0.000) 1.898 3.044 ( 0.472 -0.000 0.000) 0.472 3.472 ( -0.637 0.000 0.000) 0.637 3.478 ( -7.139 0.000 0.000) 7.139 3.488 ( -0.117 0.000 0.000) 0.117 3.573 ( 6.144 -0.000 0.000) 6.144 3.710 ( 5.498 -0.000 0.000) 5.498 3.780 ( 3.205 -0.000 0.000) 3.205 3.851 ( -1.266 0.000 0.000) 1.266 4.023 ( 0.484 -0.000 0.000) 0.484 4.024 ( -3.634 0.000 0.000) 3.634 4.035 ( 0.270 -0.000 0.000) 0.270 4.109 ( -0.095 0.000 0.000) 0.095 4.141 ( 0.066 -0.000 0.000) 0.066 4.199 ( -1.609 0.000 0.000) 1.609 4.228 ( 0.605 -0.000 0.000) 0.605 4.268 ( -0.378 0.000 0.000) 0.378 4.790 ( -1.192 0.000 0.000) 1.192 4.935 ( -2.925 0.000 0.000) 2.925 4.966 ( 0.042 -0.000 0.000) 0.042 5.114 ( 0.214 -0.000 0.000) 0.214 ======================= Grid point 41 (29/129) ======================= q-point: (-0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -6.463 4.502 0.000) 7.876 1.335 ( -4.172 0.379 0.000) 4.190 1.383 ( -0.957 0.163 0.000) 0.971 1.407 ( -6.825 -7.560 0.000) 10.185 1.561 ( 11.011 -0.692 0.000) 11.033 1.640 ( -8.599 0.348 0.000) 8.606 1.664 ( -6.285 2.323 0.000) 6.700 1.708 ( 0.592 -1.182 0.000) 1.322 1.891 ( 2.274 2.886 0.000) 3.674 2.124 ( 3.820 0.536 0.000) 3.857 2.189 ( -5.423 0.623 0.000) 5.459 2.192 ( -11.076 -0.291 0.000) 11.079 2.339 ( 3.509 -2.891 0.000) 4.547 2.585 ( 5.473 -0.366 0.000) 5.485 2.681 ( 11.210 0.671 0.000) 11.230 3.013 ( 8.440 0.881 0.000) 8.486 3.121 ( 6.149 0.054 0.000) 6.149 3.200 ( -18.038 -0.243 0.000) 18.039 3.372 ( -8.387 -0.406 0.000) 8.397 3.414 ( -6.970 0.001 0.000) 6.970 3.661 ( -0.447 2.037 0.000) 2.085 3.789 ( 0.376 1.471 0.000) 1.519 3.811 ( -0.956 -2.160 0.000) 2.363 3.866 ( 4.313 0.179 0.000) 4.317 3.971 ( -0.766 -0.482 0.000) 0.905 4.024 ( -0.384 0.120 0.000) 0.403 4.038 ( 0.132 0.031 0.000) 0.136 4.138 ( 2.678 -0.132 0.000) 2.682 4.147 ( 0.410 0.007 0.000) 0.410 4.182 ( 0.511 -0.260 0.000) 0.573 4.256 ( -0.788 -0.085 0.000) 0.793 4.269 ( 3.817 0.160 0.000) 3.820 4.750 ( -3.205 -0.274 0.000) 3.216 4.883 ( -2.941 -0.432 0.000) 2.972 4.978 ( 1.307 -0.205 0.000) 1.323 5.121 ( 0.553 0.042 0.000) 0.555 ======================= Grid point 42 (30/129) ======================= q-point: (-0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -8.239 -5.747 0.000) 10.045 1.218 ( -7.727 0.668 0.000) 7.756 1.307 ( -4.884 -4.780 0.000) 6.834 1.328 ( -6.179 -0.242 0.000) 6.184 1.463 ( -9.981 0.111 0.000) 9.982 1.534 ( -3.090 2.792 0.000) 4.165 1.696 ( 1.076 0.809 0.000) 1.346 1.761 ( -1.982 -1.499 0.000) 2.485 1.842 ( -6.010 0.567 0.000) 6.037 2.021 ( 0.560 -0.171 0.000) 0.586 2.067 ( -2.709 5.265 0.000) 5.921 2.163 ( 3.375 4.082 0.000) 5.297 2.566 ( 10.486 -2.663 0.000) 10.819 2.679 ( 1.701 -1.379 0.000) 2.190 2.786 ( -12.250 0.403 0.000) 12.256 2.867 ( -4.529 0.658 0.000) 4.576 3.051 ( -6.593 -0.687 0.000) 6.629 3.223 ( 3.687 0.044 0.000) 3.687 3.269 ( -6.244 0.216 0.000) 6.248 3.286 ( 2.377 0.485 0.000) 2.426 3.581 ( -3.028 5.512 0.000) 6.289 3.734 ( -4.026 -4.079 0.000) 5.732 3.791 ( -3.103 0.244 0.000) 3.113 3.935 ( 2.505 0.266 0.000) 2.519 4.004 ( 2.833 -0.172 0.000) 2.839 4.009 ( -1.018 0.173 0.000) 1.033 4.042 ( 0.402 0.247 0.000) 0.472 4.148 ( -0.626 -0.039 0.000) 0.628 4.154 ( 0.294 -0.049 0.000) 0.298 4.239 ( -1.198 -0.391 0.000) 1.261 4.288 ( 9.330 -0.586 0.000) 9.349 4.375 ( 7.743 0.855 0.000) 7.790 4.663 ( -6.542 -1.137 0.000) 6.640 4.813 ( -5.600 -2.534 0.000) 6.147 5.021 ( 3.101 -0.405 0.000) 3.128 5.133 ( 0.712 0.113 0.000) 0.721 ======================= Grid point 43 (31/129) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -10.889 1.466 0.000) 10.988 1.032 ( -11.079 1.670 0.000) 11.204 1.177 ( -7.052 2.239 0.000) 7.399 1.230 ( -8.962 -2.582 0.000) 9.327 1.387 ( 1.413 -11.559 0.000) 11.645 1.492 ( -6.156 1.233 0.000) 6.279 1.571 ( -8.081 -2.869 0.000) 8.575 1.694 ( -0.641 0.204 0.000) 0.673 1.720 ( -6.445 -1.903 0.000) 6.720 1.975 ( -4.817 7.346 0.000) 8.784 2.140 ( -8.178 2.322 0.000) 8.501 2.214 ( 13.312 1.866 0.000) 13.443 2.467 ( -9.707 -0.609 0.000) 9.727 2.588 ( -8.808 4.345 0.000) 9.822 2.599 ( -10.862 -2.587 0.000) 11.166 2.823 ( -4.047 4.492 0.000) 6.046 2.964 ( -2.098 -3.811 0.000) 4.350 3.235 ( 1.469 0.412 0.000) 1.526 3.249 ( 0.252 -0.302 0.000) 0.393 3.339 ( 1.758 0.971 0.000) 2.008 3.545 ( 2.295 3.966 0.000) 4.582 3.707 ( -5.031 -1.337 0.000) 5.206 3.731 ( 1.590 -2.357 0.000) 2.843 3.953 ( -0.021 0.941 0.000) 0.942 3.984 ( -1.677 0.193 0.000) 1.688 4.049 ( 0.494 0.415 0.000) 0.645 4.055 ( 2.337 0.004 0.000) 2.337 4.130 ( -1.500 -0.254 0.000) 1.521 4.160 ( 0.388 -0.150 0.000) 0.416 4.208 ( -2.373 -0.253 0.000) 2.386 4.487 ( -5.646 0.327 0.000) 5.655 4.514 ( 12.780 -0.190 0.000) 12.782 4.574 ( 6.422 -0.607 0.000) 6.451 4.702 ( -8.087 -7.399 0.000) 10.961 5.104 ( 5.337 -0.404 0.000) 5.352 5.147 ( 0.824 0.085 0.000) 0.829 ======================= Grid point 44 (32/129) ======================= q-point: (-0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -14.226 1.450 0.000) 14.300 0.817 ( -5.101 12.601 0.000) 13.595 1.087 ( 0.047 2.726 0.000) 2.726 1.120 ( -4.131 -6.111 0.000) 7.377 1.258 ( -12.388 -0.703 0.000) 12.408 1.487 ( 1.378 -8.581 0.000) 8.691 1.565 ( 0.404 -1.814 0.000) 1.858 1.582 ( -13.953 -2.939 0.000) 14.259 1.679 ( -0.649 -0.064 0.000) 0.652 1.714 ( -14.412 2.778 0.000) 14.677 1.958 ( -8.027 0.067 0.000) 8.027 2.301 ( -11.842 -0.565 0.000) 11.855 2.327 ( -9.004 3.348 0.000) 9.606 2.437 ( -0.299 0.778 0.000) 0.833 2.490 ( 8.073 0.220 0.000) 8.076 2.700 ( -4.571 4.945 0.000) 6.734 2.922 ( -4.287 -1.630 0.000) 4.586 3.175 ( -5.399 -0.147 0.000) 5.401 3.333 ( -1.583 1.594 0.000) 2.246 3.338 ( 5.759 -0.326 0.000) 5.768 3.604 ( 2.731 -0.535 0.000) 2.783 3.614 ( -2.677 1.320 0.000) 2.985 3.807 ( 4.027 -0.021 0.000) 4.027 3.932 ( -4.105 0.251 0.000) 4.113 3.940 ( -0.160 1.482 0.000) 1.491 4.055 ( 0.322 0.455 0.000) 0.558 4.084 ( -2.367 0.295 0.000) 2.385 4.087 ( -1.044 -0.695 0.000) 1.254 4.159 ( -2.211 -0.709 0.000) 2.322 4.170 ( 0.406 -0.351 0.000) 0.537 4.317 ( -9.157 -2.462 0.000) 9.483 4.510 ( -12.030 -9.299 0.000) 15.205 4.755 ( 9.886 2.427 0.000) 10.179 4.829 ( 13.006 -3.913 0.000) 13.582 5.164 ( 0.996 -0.013 0.000) 0.996 5.228 ( 7.588 0.179 0.000) 7.591 ======================= Grid point 45 (33/129) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -13.756 0.745 0.000) 13.776 0.730 ( 6.435 21.089 0.000) 22.049 1.068 ( -6.929 -0.526 0.000) 6.949 1.113 ( -4.047 -6.137 0.000) 7.351 1.169 ( 8.492 1.015 0.000) 8.553 1.278 ( -11.921 -2.919 0.000) 12.273 1.423 ( -13.858 8.467 0.000) 16.240 1.539 ( -0.872 -3.091 0.000) 3.212 1.548 ( -3.976 -0.855 0.000) 4.067 1.678 ( 0.141 -1.148 0.000) 1.157 1.814 ( -6.832 -5.478 0.000) 8.757 2.056 ( -11.480 -2.680 0.000) 11.789 2.213 ( -3.554 -2.528 0.000) 4.361 2.485 ( 4.849 -1.007 0.000) 4.952 2.615 ( -2.102 2.956 0.000) 3.627 2.666 ( 9.196 2.188 0.000) 9.452 2.865 ( -0.877 -1.204 0.000) 1.490 3.054 ( -6.909 -0.363 0.000) 6.918 3.276 ( -3.096 0.517 0.000) 3.139 3.443 ( 4.831 -0.435 0.000) 4.850 3.537 ( -2.740 1.246 0.000) 3.010 3.692 ( 3.580 -1.656 0.000) 3.945 3.816 ( -7.222 0.158 0.000) 7.224 3.837 ( -1.406 1.844 0.000) 2.319 3.946 ( 0.795 1.046 0.000) 1.314 3.993 ( -4.229 0.300 0.000) 4.240 4.057 ( 0.126 0.351 0.000) 0.373 4.060 ( -2.182 0.149 0.000) 2.187 4.143 ( -3.120 -4.018 0.000) 5.087 4.169 ( -1.332 -1.904 0.000) 2.324 4.223 ( -1.816 -1.717 0.000) 2.499 4.310 ( -11.676 -5.526 0.000) 12.918 4.889 ( 5.574 3.499 0.000) 6.582 5.058 ( 7.423 -4.936 0.000) 8.915 5.183 ( 0.924 0.077 0.000) 0.927 5.381 ( 7.985 0.582 0.000) 8.006 ======================= Grid point 46 (34/129) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( -0.000 3.145 0.000) 3.145 0.756 ( -0.000 17.145 0.000) 17.145 0.975 ( -0.000 25.538 0.000) 25.538 0.996 ( -0.000 1.035 0.000) 1.035 1.094 ( 0.000 -4.881 0.000) 4.881 1.336 ( 0.000 -4.309 0.000) 4.309 1.359 ( 0.000 -11.536 0.000) 11.536 1.444 ( -0.000 0.740 0.000) 0.740 1.507 ( -0.000 1.472 0.000) 1.472 1.687 ( 0.000 -1.113 0.000) 1.113 1.813 ( 0.000 -11.909 0.000) 11.909 1.957 ( 0.000 -2.778 0.000) 2.778 2.190 ( 0.000 -2.442 0.000) 2.442 2.555 ( -0.000 5.108 0.000) 5.108 2.584 ( 0.000 -2.995 0.000) 2.995 2.765 ( -0.000 3.152 0.000) 3.152 2.920 ( 0.000 -4.751 0.000) 4.751 2.965 ( 0.000 -1.062 0.000) 1.062 3.236 ( 0.000 -1.187 0.000) 1.187 3.504 ( 0.000 -0.177 0.000) 0.177 3.504 ( 0.000 -0.151 0.000) 0.151 3.725 ( -0.000 0.037 0.000) 0.037 3.745 ( 0.000 -2.166 0.000) 2.166 3.749 ( 0.000 -0.451 0.000) 0.451 3.912 ( -0.000 3.020 0.000) 3.020 4.009 ( -0.000 0.605 0.000) 0.605 4.025 ( -0.000 2.329 0.000) 2.329 4.045 ( 0.000 -0.046 0.000) 0.046 4.056 ( -0.000 0.226 0.000) 0.226 4.167 ( 0.000 -2.794 0.000) 2.794 4.221 ( 0.000 -1.015 0.000) 1.015 4.233 ( 0.000 -0.041 0.000) 0.041 4.921 ( -0.000 3.955 0.000) 3.955 5.157 ( 0.000 -5.205 0.000) 5.205 5.192 ( -0.000 0.195 0.000) 0.195 5.473 ( 0.000 -0.536 0.000) 0.536 ======================= Grid point 53 (35/129) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -8.345 0.000 0.000) 8.345 1.222 ( -7.556 0.000 0.000) 7.556 1.279 ( -4.573 0.000 0.000) 4.573 1.326 ( -5.568 0.000 0.000) 5.568 1.464 ( -10.759 0.000 0.000) 10.759 1.551 ( -3.835 0.000 0.000) 3.835 1.700 ( 0.614 -0.000 0.000) 0.614 1.752 ( -1.919 0.000 0.000) 1.919 1.845 ( -7.167 0.000 0.000) 7.167 2.021 ( 1.217 -0.000 0.000) 1.217 2.101 ( -2.997 0.000 0.000) 2.997 2.188 ( 4.227 -0.000 0.000) 4.227 2.547 ( 12.640 -0.000 0.000) 12.640 2.671 ( 1.477 -0.000 0.000) 1.477 2.787 ( -16.052 0.000 0.000) 16.052 2.871 ( -0.799 0.000 0.000) 0.799 3.047 ( -7.640 0.000 0.000) 7.640 3.224 ( 3.669 -0.000 0.000) 3.669 3.270 ( -6.189 0.000 0.000) 6.189 3.289 ( 2.629 -0.000 0.000) 2.629 3.626 ( -1.837 0.000 0.000) 1.837 3.697 ( -5.976 0.000 0.000) 5.976 3.794 ( -2.830 0.000 0.000) 2.830 3.937 ( 2.589 -0.000 0.000) 2.589 4.003 ( 3.067 -0.000 0.000) 3.067 4.010 ( -1.030 0.000 0.000) 1.030 4.044 ( 0.433 -0.000 0.000) 0.433 4.148 ( -0.730 0.000 0.000) 0.730 4.153 ( 0.272 -0.000 0.000) 0.272 4.237 ( -1.238 0.000 0.000) 1.238 4.285 ( 9.493 -0.000 0.000) 9.493 4.381 ( 7.997 -0.000 0.000) 7.997 4.656 ( -6.790 0.000 0.000) 6.790 4.798 ( -6.249 0.000 0.000) 6.249 5.019 ( 3.109 -0.000 0.000) 3.109 5.134 ( 0.708 -0.000 0.000) 0.708 ======================= Grid point 55 (36/129) ======================= q-point: (-0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -10.881 0.680 0.000) 10.903 1.058 ( -3.138 3.608 0.000) 4.782 1.197 ( -6.227 0.975 0.000) 6.303 1.214 ( -6.707 -0.124 0.000) 6.708 1.268 ( -5.289 -7.863 0.000) 9.476 1.508 ( -10.241 1.696 0.000) 10.381 1.538 ( -5.151 -2.634 0.000) 5.786 1.697 ( -0.779 0.186 0.000) 0.801 1.702 ( -7.287 -0.884 0.000) 7.340 2.043 ( -3.404 3.677 0.000) 5.010 2.152 ( -14.001 0.099 0.000) 14.001 2.230 ( 14.135 0.839 0.000) 14.160 2.463 ( -7.344 -0.053 0.000) 7.345 2.577 ( -11.309 -1.087 0.000) 11.361 2.621 ( -7.602 1.415 0.000) 7.733 2.863 ( -3.462 2.056 0.000) 4.026 2.931 ( -1.384 -1.725 0.000) 2.211 3.240 ( 1.787 0.412 0.000) 1.834 3.245 ( -0.313 -0.366 0.000) 0.481 3.341 ( 1.113 -0.172 0.000) 1.126 3.595 ( -0.276 4.232 0.000) 4.241 3.664 ( 0.941 -4.145 0.000) 4.250 3.729 ( -1.911 0.275 0.000) 1.931 3.962 ( 0.292 0.422 0.000) 0.514 3.985 ( -1.697 0.066 0.000) 1.698 4.053 ( 0.508 0.162 0.000) 0.533 4.055 ( 2.138 0.028 0.000) 2.138 4.128 ( -1.422 -0.082 0.000) 1.425 4.159 ( 0.357 -0.060 0.000) 0.362 4.206 ( -2.169 -0.159 0.000) 2.175 4.490 ( -9.820 0.097 0.000) 9.820 4.514 ( 13.732 0.150 0.000) 13.733 4.569 ( 10.669 -0.199 0.000) 10.671 4.640 ( -10.715 -2.959 0.000) 11.116 5.100 ( 5.481 -0.146 0.000) 5.483 5.148 ( 0.777 0.032 0.000) 0.777 ======================= Grid point 56 (37/129) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -15.401 0.594 0.000) 15.412 0.986 ( 1.753 16.268 0.000) 16.362 1.066 ( -5.071 -3.259 0.000) 6.028 1.121 ( -0.029 2.792 0.000) 2.793 1.246 ( -12.044 -1.221 0.000) 12.106 1.360 ( 3.198 -13.466 0.000) 13.841 1.546 ( -14.195 -2.879 0.000) 14.484 1.548 ( 0.511 -1.164 0.000) 1.271 1.678 ( -0.955 -0.055 0.000) 0.957 1.737 ( -16.708 1.331 0.000) 16.761 1.959 ( -8.261 0.043 0.000) 8.261 2.297 ( -14.886 -0.103 0.000) 14.886 2.376 ( -10.371 4.310 0.000) 11.231 2.441 ( -1.300 -0.190 0.000) 1.314 2.490 ( 11.043 -0.149 0.000) 11.044 2.750 ( -5.478 3.540 0.000) 6.522 2.902 ( -3.875 -1.691 0.000) 4.228 3.174 ( -5.453 -0.056 0.000) 5.453 3.335 ( 5.658 -0.183 0.000) 5.661 3.336 ( -2.028 -0.583 0.000) 2.110 3.603 ( 1.303 0.408 0.000) 1.365 3.628 ( -1.873 0.936 0.000) 2.094 3.808 ( 6.019 0.072 0.000) 6.020 3.934 ( -4.084 0.137 0.000) 4.086 3.955 ( -0.195 1.054 0.000) 1.072 4.060 ( 0.313 0.316 0.000) 0.445 4.079 ( -0.082 -0.529 0.000) 0.535 4.089 ( -2.734 0.475 0.000) 2.775 4.151 ( -3.665 -0.546 0.000) 3.706 4.167 ( 0.202 -0.207 0.000) 0.289 4.295 ( -9.396 -1.361 0.000) 9.494 4.424 ( -12.498 -5.534 0.000) 13.668 4.776 ( 10.362 1.306 0.000) 10.444 4.795 ( 13.051 -2.065 0.000) 13.214 5.164 ( 0.975 -0.007 0.000) 0.975 5.229 ( 7.947 0.078 0.000) 7.947 ======================= Grid point 57 (38/129) ======================= q-point: (-0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -15.901 -2.545 0.000) 16.103 0.960 ( 3.531 17.834 0.000) 18.180 1.057 ( 0.085 -3.018 0.000) 3.019 1.062 ( -6.003 -0.042 0.000) 6.003 1.194 ( 7.267 2.539 0.000) 7.697 1.206 ( -12.181 -5.882 0.000) 13.527 1.481 ( 1.253 -5.005 0.000) 5.159 1.531 ( -9.206 4.987 0.000) 10.470 1.538 ( -3.073 -0.806 0.000) 3.177 1.666 ( -0.416 -0.743 0.000) 0.852 1.767 ( -10.593 -2.638 0.000) 10.917 2.028 ( -12.068 -2.183 0.000) 12.264 2.199 ( -5.205 0.315 0.000) 5.214 2.467 ( 3.404 -1.772 0.000) 3.837 2.644 ( -3.754 1.764 0.000) 4.148 2.686 ( 9.436 1.290 0.000) 9.524 2.840 ( -2.819 -2.833 0.000) 3.997 3.051 ( -7.065 -0.193 0.000) 7.068 3.272 ( -4.331 -0.821 0.000) 4.409 3.439 ( 4.860 -0.309 0.000) 4.870 3.564 ( -1.421 3.280 0.000) 3.575 3.672 ( 2.741 -1.769 0.000) 3.262 3.817 ( -7.346 0.121 0.000) 7.347 3.849 ( -3.944 0.412 0.000) 3.965 3.955 ( 0.167 0.660 0.000) 0.681 4.005 ( -2.309 1.712 0.000) 2.875 4.060 ( -1.768 -0.052 0.000) 1.769 4.061 ( 0.089 0.403 0.000) 0.413 4.099 ( -3.365 -3.575 0.000) 4.910 4.147 ( -2.455 -1.758 0.000) 3.019 4.209 ( -0.689 -0.839 0.000) 1.085 4.271 ( -5.122 -1.998 0.000) 5.498 4.922 ( 5.662 2.313 0.000) 6.116 5.007 ( 6.932 -3.834 0.000) 7.922 5.184 ( 1.083 0.105 0.000) 1.089 5.385 ( 7.581 0.255 0.000) 7.585 ======================= Grid point 58 (39/129) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( 0.000 -4.346 0.000) 4.346 0.870 ( -0.000 1.461 0.000) 1.461 1.001 ( -0.000 0.146 0.000) 0.146 1.111 ( -0.000 9.434 0.000) 9.434 1.205 ( -0.000 0.844 0.000) 0.844 1.270 ( -0.000 9.752 0.000) 9.752 1.319 ( -0.000 0.801 0.000) 0.801 1.452 ( -0.000 0.651 0.000) 0.651 1.510 ( 0.000 -1.243 0.000) 1.243 1.671 ( 0.000 -1.536 0.000) 1.536 1.693 ( 0.000 -8.649 0.000) 8.649 1.923 ( 0.000 -3.140 0.000) 3.140 2.162 ( 0.000 -2.433 0.000) 2.433 2.549 ( 0.000 -2.972 0.000) 2.972 2.591 ( -0.000 0.998 0.000) 0.998 2.798 ( -0.000 2.421 0.000) 2.421 2.850 ( 0.000 -6.592 0.000) 6.592 2.953 ( 0.000 -0.927 0.000) 0.927 3.223 ( 0.000 -1.066 0.000) 1.066 3.500 ( 0.000 -0.339 0.000) 0.339 3.529 ( -0.000 3.787 0.000) 3.787 3.719 ( 0.000 -2.391 0.000) 2.391 3.725 ( -0.000 0.029 0.000) 0.029 3.745 ( 0.000 -0.303 0.000) 0.303 3.941 ( -0.000 2.080 0.000) 2.080 4.016 ( -0.000 0.541 0.000) 0.541 4.044 ( 0.000 -0.078 0.000) 0.078 4.046 ( -0.000 1.247 0.000) 1.247 4.060 ( -0.000 0.351 0.000) 0.351 4.136 ( 0.000 -2.502 0.000) 2.502 4.212 ( 0.000 -0.638 0.000) 0.638 4.234 ( -0.000 0.267 0.000) 0.267 4.961 ( -0.000 2.963 0.000) 2.963 5.098 ( 0.000 -4.952 0.000) 4.952 5.195 ( -0.000 0.314 0.000) 0.314 5.468 ( 0.000 -0.321 0.000) 0.321 ======================= Grid point 67 (40/129) ======================= q-point: (-0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -16.056 0.000 0.000) 16.056 1.045 ( -4.736 0.000 0.000) 4.736 1.140 ( 0.446 -0.000 0.000) 0.446 1.152 ( 6.080 -0.000 0.000) 6.080 1.212 ( 1.360 -0.000 0.000) 1.360 1.237 ( -12.183 0.000 0.000) 12.183 1.528 ( -14.439 0.000 0.000) 14.439 1.541 ( 0.499 -0.000 0.000) 0.499 1.678 ( -1.059 0.000 0.000) 1.059 1.745 ( -18.302 0.000 0.000) 18.302 1.959 ( -8.082 0.000 0.000) 8.082 2.297 ( -16.162 0.000 0.000) 16.162 2.407 ( -11.949 0.000 0.000) 11.949 2.435 ( -0.113 0.000 0.000) 0.113 2.489 ( 12.265 -0.000 0.000) 12.265 2.773 ( -5.926 0.000 0.000) 5.926 2.890 ( -3.960 0.000 0.000) 3.960 3.173 ( -5.472 0.000 0.000) 5.472 3.331 ( -1.996 0.000 0.000) 1.996 3.334 ( 5.622 -0.000 0.000) 5.622 3.607 ( 1.406 -0.000 0.000) 1.406 3.634 ( -2.255 0.000 0.000) 2.255 3.808 ( 6.785 -0.000 0.000) 6.785 3.935 ( -4.072 0.000 0.000) 4.072 3.961 ( -0.215 0.000 0.000) 0.215 4.061 ( 0.320 -0.000 0.000) 0.320 4.076 ( -0.077 0.000 0.000) 0.077 4.093 ( -2.276 0.000 0.000) 2.276 4.148 ( -4.563 0.000 0.000) 4.563 4.166 ( 0.118 -0.000 0.000) 0.118 4.287 ( -9.485 0.000 0.000) 9.485 4.391 ( -12.275 0.000 0.000) 12.275 4.783 ( 12.898 -0.000 0.000) 12.898 4.784 ( 10.531 -0.000 0.000) 10.531 5.164 ( 0.968 -0.000 0.000) 0.968 5.230 ( 8.065 -0.000 0.000) 8.065 ======================= Grid point 69 (41/129) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -18.643 -1.723 0.000) 18.722 1.029 ( 0.377 -0.255 0.000) 0.455 1.065 ( -5.841 0.373 0.000) 5.853 1.079 ( -15.488 -0.031 0.000) 15.488 1.216 ( 7.298 1.055 0.000) 7.374 1.236 ( 4.080 12.701 0.000) 13.340 1.386 ( 5.026 -11.296 0.000) 12.364 1.531 ( -2.406 -0.407 0.000) 2.440 1.558 ( -6.103 0.338 0.000) 6.112 1.661 ( -0.671 -0.181 0.000) 0.695 1.755 ( -11.586 0.018 0.000) 11.586 2.010 ( -12.703 -0.878 0.000) 12.733 2.213 ( -7.559 1.287 0.000) 7.668 2.450 ( 2.271 -0.913 0.000) 2.448 2.655 ( -5.891 0.271 0.000) 5.897 2.696 ( 9.584 0.413 0.000) 9.593 2.813 ( -3.502 -1.417 0.000) 3.777 3.050 ( -7.142 -0.054 0.000) 7.143 3.264 ( -4.483 -0.476 0.000) 4.508 3.436 ( 4.879 -0.111 0.000) 4.880 3.601 ( -0.378 2.648 0.000) 2.675 3.651 ( 2.103 -1.735 0.000) 2.727 3.818 ( -7.420 0.046 0.000) 7.420 3.850 ( -5.772 -0.062 0.000) 5.773 3.960 ( 0.215 0.240 0.000) 0.322 4.030 ( -1.531 2.510 0.000) 2.940 4.060 ( -1.565 -0.052 0.000) 1.566 4.062 ( -2.218 -2.968 0.000) 3.705 4.065 ( 0.117 0.211 0.000) 0.241 4.132 ( -2.929 -0.721 0.000) 3.016 4.203 ( -0.260 -0.258 0.000) 0.366 4.257 ( -2.621 -0.523 0.000) 2.672 4.940 ( 5.673 0.799 0.000) 5.729 4.975 ( 6.587 -1.454 0.000) 6.746 5.185 ( 1.211 0.051 0.000) 1.212 5.387 ( 7.390 0.075 0.000) 7.390 ======================= Grid point 70 (42/129) ======================= q-point: (-0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.241 ( 0.000 -8.196 0.000) 8.196 0.847 ( 0.000 -2.915 0.000) 2.915 1.006 ( -0.000 0.714 0.000) 0.714 1.129 ( 0.000 -5.964 0.000) 5.964 1.254 ( -0.000 13.118 0.000) 13.118 1.337 ( -0.000 1.646 0.000) 1.646 1.436 ( -0.000 10.190 0.000) 10.190 1.458 ( -0.000 0.381 0.000) 0.381 1.474 ( 0.000 -5.193 0.000) 5.193 1.629 ( 0.000 -2.036 0.000) 2.036 1.657 ( 0.000 -0.700 0.000) 0.700 1.889 ( 0.000 -2.437 0.000) 2.437 2.138 ( 0.000 -1.529 0.000) 1.529 2.520 ( 0.000 -1.921 0.000) 1.921 2.577 ( 0.000 -2.816 0.000) 2.816 2.791 ( 0.000 -3.184 0.000) 3.184 2.819 ( -0.000 1.289 0.000) 1.289 2.945 ( 0.000 -0.538 0.000) 0.538 3.213 ( 0.000 -0.620 0.000) 0.620 3.497 ( 0.000 -0.185 0.000) 0.185 3.579 ( -0.000 4.440 0.000) 4.440 3.690 ( 0.000 -2.715 0.000) 2.715 3.725 ( -0.000 0.016 0.000) 0.016 3.742 ( 0.000 -0.145 0.000) 0.145 3.959 ( -0.000 1.136 0.000) 1.136 4.021 ( -0.000 0.337 0.000) 0.337 4.043 ( 0.000 -0.076 0.000) 0.076 4.054 ( -0.000 0.348 0.000) 0.348 4.064 ( -0.000 0.386 0.000) 0.386 4.112 ( 0.000 -1.555 0.000) 1.555 4.206 ( 0.000 -0.336 0.000) 0.336 4.238 ( -0.000 0.304 0.000) 0.304 4.987 ( -0.000 1.522 0.000) 1.522 5.051 ( 0.000 -3.054 0.000) 3.054 5.199 ( -0.000 0.262 0.000) 0.262 5.466 ( 0.000 -0.143 0.000) 0.143 ======================= Grid point 82 (43/129) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.181 ( -0.000 0.000 0.000) 0.000 0.828 ( -0.000 0.000 0.000) 0.000 1.011 ( -0.000 0.000 0.000) 0.000 1.094 ( -0.000 0.000 0.000) 0.000 1.347 ( -0.000 0.000 0.000) 0.000 1.377 ( -0.000 0.000 0.000) 0.000 1.399 ( 0.000 -0.000 0.000) 0.000 1.461 ( -0.000 0.000 0.000) 0.000 1.484 ( -0.000 0.000 0.000) 0.000 1.631 ( -0.000 0.000 0.000) 0.000 1.654 ( -0.000 0.000 0.000) 0.000 1.874 ( -0.000 0.000 0.000) 0.000 2.129 ( -0.000 0.000 0.000) 0.000 2.509 ( 0.000 -0.000 0.000) 0.000 2.555 ( -0.000 0.000 0.000) 0.000 2.775 ( 0.000 -0.000 0.000) 0.000 2.826 ( -0.000 0.000 0.000) 0.000 2.942 ( -0.000 0.000 0.000) 0.000 3.209 ( -0.000 0.000 0.000) 0.000 3.496 ( -0.000 0.000 0.000) 0.000 3.613 ( 0.000 -0.000 0.000) 0.000 3.667 ( -0.000 0.000 0.000) 0.000 3.725 ( -0.000 0.000 0.000) 0.000 3.741 ( -0.000 0.000 0.000) 0.000 3.966 ( -0.000 0.000 0.000) 0.000 4.023 ( -0.000 0.000 0.000) 0.000 4.043 ( -0.000 0.000 0.000) 0.000 4.056 ( -0.000 0.000 0.000) 0.000 4.067 ( -0.000 0.000 0.000) 0.000 4.103 ( -0.000 0.000 0.000) 0.000 4.204 ( -0.000 0.000 0.000) 0.000 4.240 ( -0.000 0.000 0.000) 0.000 4.995 ( -0.000 0.000 0.000) 0.000 5.033 ( -0.000 0.000 0.000) 0.000 5.200 ( -0.000 0.000 0.000) 0.000 5.465 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 151 (44/129) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.252 ( 0.000 0.000 12.058) 12.058 0.427 ( 0.000 0.000 18.627) 18.627 0.656 ( 0.000 0.000 12.818) 12.818 0.943 ( 0.000 0.000 4.738) 4.738 1.129 ( 0.000 0.000 -11.737) 11.737 1.429 ( 0.000 0.000 1.168) 1.168 1.466 ( 0.000 0.000 0.981) 0.981 1.513 ( 0.000 0.000 -8.112) 8.112 1.747 ( 0.000 0.000 6.054) 6.054 1.877 ( 0.000 0.000 20.155) 20.155 1.949 ( 0.000 0.000 -3.926) 3.926 2.224 ( 0.000 0.000 2.940) 2.940 2.251 ( 0.000 0.000 2.155) 2.155 2.291 ( 0.000 0.000 4.622) 4.622 2.565 ( 0.000 0.000 -5.852) 5.852 2.628 ( 0.000 0.000 -0.338) 0.338 2.797 ( 0.000 0.000 -2.641) 2.641 3.049 ( 0.000 0.000 4.453) 4.453 3.229 ( 0.000 0.000 -2.628) 2.628 3.309 ( 0.000 0.000 -21.301) 21.301 3.589 ( 0.000 0.000 0.496) 0.496 3.633 ( 0.000 0.000 -1.083) 1.083 3.735 ( 0.000 0.000 0.882) 0.882 3.761 ( 0.000 0.000 -0.101) 0.101 3.796 ( 0.000 0.000 -4.709) 4.709 3.810 ( 0.000 0.000 -1.438) 1.438 4.004 ( 0.000 0.000 0.702) 0.702 4.039 ( 0.000 0.000 -0.551) 0.551 4.235 ( 0.000 0.000 -0.152) 0.152 4.238 ( 0.000 0.000 0.592) 0.592 4.262 ( 0.000 0.000 0.279) 0.279 4.265 ( 0.000 0.000 -0.036) 0.036 4.949 ( 0.000 0.000 2.320) 2.320 5.074 ( 0.000 0.000 -2.134) 2.134 5.421 ( 0.000 0.000 10.882) 10.882 5.854 ( 0.000 0.000 -5.985) 5.985 ======================= Grid point 152 (45/129) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 16.847 4.774 7.125) 18.905 0.558 ( 14.665 -7.702 5.995) 17.616 0.939 ( 18.402 -3.406 1.845) 18.806 1.018 ( 10.265 -2.073 13.593) 17.159 1.117 ( -1.383 -0.897 -8.709) 8.863 1.383 ( -0.888 4.769 1.677) 5.133 1.425 ( -0.413 -2.304 0.933) 2.519 1.611 ( 3.818 0.328 -5.250) 6.499 1.752 ( 2.082 3.619 6.229) 7.499 1.885 ( 3.380 3.682 17.013) 17.732 2.006 ( 2.728 -1.532 -2.174) 3.810 2.148 ( -2.638 2.065 3.365) 4.748 2.282 ( 2.833 -1.600 2.317) 3.994 2.330 ( 3.438 -3.528 1.852) 5.263 2.501 ( -7.384 0.886 -5.764) 9.409 2.722 ( -1.427 0.320 4.284) 4.527 2.756 ( 9.604 -1.920 -0.183) 9.795 3.103 ( 4.170 0.590 2.131) 4.720 3.158 ( -4.608 -0.951 -7.183) 8.587 3.363 ( 2.845 0.387 -13.637) 13.936 3.539 ( -2.945 0.782 -2.513) 3.950 3.606 ( -3.228 -1.103 -2.708) 4.356 3.759 ( 0.236 0.564 -2.358) 2.436 3.772 ( -0.210 -0.713 -3.609) 3.685 3.845 ( 6.465 -0.134 1.623) 6.667 3.978 ( 7.826 0.522 -3.047) 8.414 4.023 ( 2.053 -0.492 -0.050) 2.111 4.042 ( 0.209 -0.068 -0.541) 0.584 4.219 ( -1.542 0.449 0.318) 1.637 4.236 ( -0.496 0.113 0.845) 0.986 4.306 ( 4.900 0.891 0.510) 5.006 4.456 ( 15.236 2.307 -10.829) 18.834 4.898 ( -4.798 0.777 1.590) 5.114 5.007 ( -7.468 -1.952 -2.213) 8.030 5.383 ( -3.503 0.363 10.441) 11.019 5.643 ( -13.287 3.804 5.642) 14.928 ======================= Grid point 153 (46/129) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 19.154 2.798 3.891) 19.745 0.913 ( 17.832 -0.831 3.150) 18.127 1.091 ( 2.755 1.766 0.732) 3.354 1.185 ( 12.169 -0.835 -1.779) 12.327 1.371 ( 2.828 4.532 0.738) 5.392 1.412 ( 11.522 -2.224 2.073) 11.917 1.484 ( 8.627 -6.098 2.168) 10.785 1.637 ( -0.202 0.117 -1.520) 1.538 1.779 ( 3.120 2.177 8.810) 9.597 1.950 ( -4.602 -1.382 9.538) 10.679 1.962 ( 5.309 1.154 8.835) 10.371 2.246 ( 7.705 -0.384 -5.892) 9.707 2.300 ( -6.857 1.520 -2.085) 7.326 2.423 ( 9.867 -0.232 2.227) 10.118 2.486 ( 8.174 -3.564 0.845) 8.957 2.680 ( -3.147 2.554 6.386) 7.564 2.919 ( 4.336 0.552 -3.289) 5.470 3.121 ( 1.949 -3.485 -5.608) 6.884 3.198 ( 4.827 -0.076 0.968) 4.924 3.365 ( -2.881 -0.371 -0.931) 3.051 3.510 ( 0.407 0.444 -15.472) 15.484 3.529 ( -4.849 -1.023 -2.930) 5.757 3.745 ( -1.279 0.308 -2.303) 2.652 3.791 ( 2.156 0.351 -2.186) 3.090 3.952 ( 3.785 -0.176 1.622) 4.122 4.032 ( -0.219 0.318 -1.070) 1.137 4.077 ( 3.529 -0.094 -0.199) 3.536 4.096 ( 3.601 -0.210 -0.071) 3.608 4.181 ( -1.578 0.438 0.556) 1.730 4.219 ( -1.042 0.371 0.587) 1.252 4.432 ( 8.485 2.103 1.525) 8.874 4.613 ( -0.459 0.374 -4.163) 4.205 4.780 ( -8.084 2.487 -0.640) 8.482 4.861 ( -3.897 -1.388 -6.463) 7.674 5.303 ( -4.200 0.573 9.753) 10.634 5.425 ( -7.661 3.060 7.538) 11.175 ======================= Grid point 154 (47/129) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 12.397 -0.611 4.258) 13.122 1.161 ( 9.968 -0.049 2.309) 10.232 1.294 ( 19.553 7.333 5.028) 21.480 1.392 ( 4.730 4.181 0.295) 6.320 1.437 ( 9.238 0.469 0.961) 9.299 1.506 ( 3.769 -1.829 -3.560) 5.498 1.620 ( -0.226 0.655 0.001) 0.693 1.659 ( 3.549 -1.314 -2.223) 4.389 1.821 ( -2.243 -2.841 2.760) 4.552 1.925 ( 0.933 -2.652 9.607) 10.010 2.061 ( -0.389 3.850 8.324) 9.180 2.194 ( 1.343 -4.400 4.107) 6.167 2.395 ( 5.515 -1.501 -1.911) 6.027 2.617 ( 4.614 2.302 7.078) 8.758 2.655 ( 9.074 -1.981 0.107) 9.289 2.688 ( 9.448 0.083 0.052) 9.448 2.923 ( -1.021 -1.594 -7.926) 8.149 3.225 ( 4.226 0.025 -3.436) 5.446 3.264 ( 1.311 0.051 1.075) 1.696 3.302 ( -2.171 -0.906 4.030) 4.666 3.450 ( -3.272 -0.334 -3.967) 5.153 3.535 ( 1.464 -1.545 -17.073) 17.206 3.720 ( -0.863 -0.272 -1.308) 1.591 3.833 ( 2.365 1.722 -3.388) 4.476 3.996 ( 0.941 -0.345 0.431) 1.091 4.015 ( -1.455 -0.174 -0.753) 1.647 4.107 ( -1.096 0.491 2.574) 2.840 4.137 ( 2.171 -0.098 0.547) 2.241 4.192 ( -0.019 0.703 -0.209) 0.734 4.201 ( 1.426 -0.015 -0.635) 1.561 4.478 ( -7.567 -0.290 0.805) 7.615 4.518 ( -9.350 0.268 -0.790) 9.387 4.635 ( 3.596 0.613 2.742) 4.563 4.888 ( 3.717 3.864 -7.897) 9.545 5.226 ( -3.348 0.682 9.270) 9.879 5.299 ( -4.407 2.231 6.430) 8.108 ======================= Grid point 155 (48/129) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 7.140 0.451 1.762) 7.368 1.356 ( 7.809 -1.191 2.589) 8.313 1.453 ( 4.943 0.307 1.315) 5.124 1.510 ( 1.660 5.842 5.022) 7.881 1.531 ( -1.252 -0.162 -1.166) 1.718 1.609 ( 11.991 6.306 2.337) 13.748 1.656 ( 3.075 0.069 -1.129) 3.277 1.710 ( -0.187 -1.657 0.276) 1.691 1.826 ( 3.002 -3.938 2.563) 5.576 1.971 ( 6.058 0.332 -3.131) 6.827 2.047 ( 4.024 1.766 16.110) 16.699 2.150 ( -5.034 0.474 6.755) 8.438 2.473 ( -2.399 -4.473 -3.868) 6.382 2.683 ( -2.176 -4.778 0.724) 5.300 2.734 ( -3.453 -0.360 -1.514) 3.788 2.914 ( 17.118 1.164 3.068) 17.430 3.005 ( 6.204 -1.916 -4.452) 7.873 3.230 ( -4.075 0.312 0.879) 4.181 3.259 ( 0.508 0.448 -0.455) 0.816 3.318 ( 3.713 4.633 -2.399) 6.404 3.414 ( 1.241 -1.104 -2.987) 3.418 3.600 ( 3.764 -3.723 -14.319) 15.267 3.736 ( 2.012 -0.935 -0.867) 2.382 3.838 ( -1.625 0.658 -2.501) 3.054 3.993 ( -0.411 -0.129 -0.968) 1.059 4.001 ( -0.420 -0.414 -0.468) 0.753 4.090 ( -0.301 0.953 2.571) 2.758 4.154 ( -0.498 0.056 0.707) 0.866 4.171 ( -0.786 0.700 0.296) 1.094 4.236 ( 1.165 0.032 -1.187) 1.664 4.328 ( -8.046 0.488 0.301) 8.066 4.335 ( -6.566 -0.722 0.034) 6.605 4.736 ( 4.970 1.446 2.036) 5.562 4.919 ( 1.666 3.527 -4.658) 6.075 5.169 ( -2.279 0.686 8.892) 9.205 5.223 ( -2.582 1.303 5.450) 6.170 ======================= Grid point 156 (49/129) ======================= q-point: ( 0.42 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -1.560 0.638 1.302) 2.130 1.427 ( -4.656 5.230 2.029) 7.290 1.462 ( 3.783 -2.666 -0.895) 4.713 1.538 ( 2.292 -1.119 0.966) 2.728 1.578 ( 4.735 3.305 0.836) 5.834 1.615 ( -1.215 0.210 -1.530) 1.966 1.705 ( 1.790 -1.094 10.701) 10.904 1.751 ( -1.692 -0.211 2.784) 3.265 1.961 ( 8.828 1.673 8.471) 12.349 2.062 ( 5.043 -0.681 7.516) 9.077 2.176 ( 7.801 -0.834 -2.690) 8.294 2.219 ( 10.211 2.039 2.650) 10.744 2.381 ( -5.684 -1.325 -4.890) 7.614 2.575 ( -9.925 -4.050 1.039) 10.770 2.630 ( -7.466 -1.236 -0.098) 7.569 2.987 ( -7.127 0.194 1.786) 7.350 3.096 ( -5.502 0.565 -1.440) 5.715 3.218 ( 8.572 0.960 -5.430) 10.192 3.341 ( 9.734 -0.815 -4.266) 10.659 3.411 ( 8.760 4.724 -3.235) 10.465 3.524 ( 6.049 -2.305 -0.201) 6.476 3.686 ( 1.322 -1.792 -9.597) 9.852 3.755 ( -2.369 -1.681 0.138) 2.908 3.787 ( -1.633 -1.646 -1.824) 2.950 3.993 ( 0.818 0.353 -0.957) 1.307 4.007 ( 0.927 -0.017 -1.071) 1.417 4.075 ( -0.749 1.008 1.904) 2.281 4.123 ( -2.627 -0.115 1.148) 2.869 4.147 ( -1.582 0.403 0.032) 1.633 4.223 ( -2.477 1.068 0.499) 2.743 4.238 ( -1.715 -0.505 -1.475) 2.318 4.256 ( -1.102 0.324 -0.555) 1.276 4.794 ( 1.971 0.912 1.749) 2.788 4.917 ( 0.044 1.979 -2.518) 3.203 5.132 ( -1.217 0.492 8.724) 8.823 5.183 ( -1.111 0.512 4.533) 4.695 ======================= Grid point 157 (50/129) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -0.000 0.000 3.500) 3.500 1.337 ( 0.000 -0.000 2.337) 2.337 1.511 ( 0.000 -0.000 -0.903) 0.903 1.565 ( 0.000 -0.000 0.259) 0.259 1.585 ( 0.000 0.000 -1.047) 1.047 1.635 ( 0.000 0.000 -4.179) 4.179 1.711 ( 0.000 0.000 2.971) 2.971 1.732 ( 0.000 -0.000 17.167) 17.167 2.066 ( 0.000 -0.000 5.090) 5.090 2.130 ( 0.000 -0.000 7.493) 7.493 2.269 ( 0.000 -0.000 -3.464) 3.464 2.338 ( -0.000 -0.000 -0.210) 0.210 2.350 ( 0.000 0.000 -0.142) 0.142 2.453 ( 0.000 -0.000 0.038) 0.038 2.530 ( 0.000 -0.000 -0.418) 0.418 2.889 ( 0.000 -0.000 2.974) 2.974 3.019 ( 0.000 -0.000 -2.120) 2.120 3.290 ( 0.000 -0.000 -15.824) 15.824 3.500 ( 0.000 -0.000 0.966) 0.966 3.529 ( 0.000 0.000 -0.150) 0.150 3.576 ( 0.000 -0.000 -0.442) 0.442 3.630 ( 0.000 -0.000 -4.102) 4.102 3.753 ( 0.000 -0.000 -3.686) 3.686 3.781 ( 0.000 -0.000 -2.210) 2.210 4.007 ( 0.000 -0.000 -0.595) 0.595 4.035 ( 0.000 -0.000 -3.271) 3.271 4.053 ( -0.000 -0.000 1.941) 1.941 4.083 ( 0.000 -0.000 3.519) 3.519 4.124 ( 0.000 -0.000 -1.047) 1.047 4.202 ( 0.000 -0.000 0.774) 0.774 4.217 ( 0.000 -0.000 -1.255) 1.255 4.251 ( 0.000 -0.000 -1.097) 1.097 4.809 ( 0.000 -0.000 1.649) 1.649 4.910 ( 0.000 -0.000 -1.806) 1.806 5.119 ( 0.000 -0.000 8.681) 8.681 5.172 ( 0.000 -0.000 4.146) 4.146 ======================= Grid point 165 (51/129) ======================= q-point: ( 0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 16.574 -0.000 4.596) 17.199 0.914 ( 20.986 -0.000 -0.065) 20.986 1.105 ( 3.046 -0.000 -0.792) 3.148 1.179 ( 12.801 -0.000 -0.583) 12.814 1.378 ( 16.315 -0.000 7.332) 17.887 1.417 ( 5.050 -0.000 2.057) 5.452 1.444 ( 2.843 -0.000 -0.733) 2.936 1.637 ( -0.463 0.000 -2.466) 2.509 1.795 ( 3.076 -0.000 10.381) 10.827 1.938 ( -7.148 0.000 2.589) 7.602 1.971 ( 4.459 -0.000 14.199) 14.882 2.242 ( 8.983 -0.000 -6.107) 10.862 2.309 ( -8.051 0.000 -2.231) 8.355 2.424 ( 8.374 -0.000 1.901) 8.587 2.463 ( 10.992 -0.000 1.558) 11.102 2.697 ( -2.599 0.000 6.278) 6.794 2.922 ( 4.030 -0.000 -3.232) 5.166 3.100 ( 2.254 -0.000 -5.238) 5.703 3.198 ( 4.926 -0.000 0.887) 5.005 3.362 ( -3.261 0.000 -0.825) 3.363 3.513 ( 0.316 -0.000 -16.291) 16.294 3.523 ( -4.868 0.000 -2.774) 5.603 3.747 ( -1.501 0.000 -1.953) 2.463 3.793 ( 2.704 -0.000 -2.253) 3.520 3.951 ( 3.737 -0.000 1.681) 4.098 4.034 ( -0.444 0.000 -0.954) 1.052 4.076 ( 3.561 -0.000 -0.328) 3.576 4.095 ( 3.862 -0.000 -0.119) 3.864 4.184 ( -1.729 0.000 0.575) 1.822 4.221 ( -1.002 0.000 0.645) 1.191 4.445 ( 8.675 -0.000 1.453) 8.796 4.613 ( -2.283 0.000 -2.949) 3.729 4.800 ( -12.632 0.000 -0.727) 12.653 4.849 ( 2.058 -0.000 -8.544) 8.788 5.306 ( -4.220 0.000 9.960) 10.817 5.444 ( -8.287 0.000 7.470) 11.157 ======================= Grid point 166 (52/129) ======================= q-point: ( 0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 12.986 -0.349 5.232) 14.005 1.160 ( 8.710 -0.010 0.996) 8.766 1.365 ( 20.963 4.046 2.282) 21.472 1.426 ( 7.754 1.317 0.502) 7.882 1.443 ( 6.324 0.677 2.579) 6.863 1.489 ( 1.924 -0.880 -2.831) 3.534 1.618 ( -0.725 -0.319 0.062) 0.794 1.642 ( 6.562 -1.531 -1.808) 6.976 1.803 ( -5.861 -0.343 3.458) 6.814 1.901 ( 4.287 -1.345 9.321) 10.347 2.093 ( 3.505 1.339 9.911) 10.598 2.156 ( -1.387 -1.732 3.052) 3.773 2.387 ( 4.465 -0.193 -3.554) 5.710 2.629 ( -1.246 -0.429 4.167) 4.371 2.647 ( 11.813 0.667 4.983) 12.838 2.691 ( 10.519 0.162 -0.496) 10.532 2.903 ( -1.703 -1.234 -7.821) 8.099 3.229 ( 5.571 0.370 -2.650) 6.180 3.264 ( 1.268 0.005 1.133) 1.700 3.295 ( -0.759 -0.331 3.447) 3.545 3.443 ( -2.881 -0.507 -2.266) 3.700 3.525 ( 0.209 -0.368 -19.287) 19.291 3.718 ( -1.162 -0.093 -0.986) 1.527 3.846 ( 2.377 0.612 -3.580) 4.341 3.993 ( 0.951 -0.125 0.446) 1.058 4.013 ( -1.693 -0.045 -0.772) 1.862 4.111 ( -0.997 0.207 2.706) 2.891 4.136 ( 2.244 -0.046 0.479) 2.295 4.197 ( 1.779 0.253 -0.686) 1.923 4.201 ( -0.374 -0.014 -0.026) 0.375 4.476 ( -8.774 -0.126 0.882) 8.819 4.521 ( -9.528 0.111 -0.919) 9.573 4.640 ( 4.880 0.220 2.855) 5.658 4.918 ( 3.520 1.285 -8.896) 9.653 5.232 ( -3.374 0.283 9.825) 10.392 5.318 ( -4.993 0.933 6.460) 8.218 ======================= Grid point 167 (53/129) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 7.163 0.466 3.066) 7.806 1.343 ( 8.524 -0.974 2.890) 9.053 1.456 ( 1.923 0.607 0.622) 2.110 1.515 ( -0.395 -1.770 -1.891) 2.620 1.567 ( 3.028 3.730 6.908) 8.414 1.625 ( 3.200 -1.573 2.309) 4.248 1.680 ( 0.054 1.043 1.798) 2.079 1.713 ( 6.086 2.675 -2.809) 7.217 1.796 ( 9.302 -1.098 1.848) 9.547 1.979 ( 5.539 0.773 -3.753) 6.735 2.067 ( 4.796 1.105 15.821) 16.569 2.174 ( -4.494 3.781 6.579) 8.819 2.410 ( -3.557 -6.000 -2.003) 7.257 2.632 ( -1.325 -3.608 1.385) 4.085 2.734 ( -4.888 0.206 -3.096) 5.790 2.925 ( 16.839 0.753 3.366) 17.188 2.982 ( 6.769 -1.760 -5.113) 8.664 3.234 ( -4.008 0.300 1.224) 4.201 3.262 ( 1.109 0.156 0.332) 1.168 3.362 ( 5.121 2.339 1.733) 5.890 3.418 ( 0.757 2.149 -4.520) 5.062 3.553 ( 3.048 -4.235 -15.357) 16.219 3.728 ( 1.958 -0.504 -2.111) 2.923 3.844 ( -2.901 0.375 -2.628) 3.933 3.992 ( 0.012 -0.068 -1.158) 1.160 3.997 ( -0.436 -0.274 -0.508) 0.723 4.099 ( -0.114 0.609 2.587) 2.660 4.154 ( -0.524 -0.072 1.035) 1.162 4.178 ( -1.017 0.457 0.183) 1.130 4.236 ( 1.172 -0.040 -1.203) 1.680 4.329 ( -6.245 -0.339 0.232) 6.259 4.333 ( -7.673 0.313 0.064) 7.680 4.749 ( 4.744 0.775 2.128) 5.257 4.950 ( 0.889 1.885 -5.469) 5.853 5.175 ( -2.361 0.444 9.551) 9.848 5.236 ( -3.114 0.865 5.703) 6.555 ======================= Grid point 168 (54/129) ======================= q-point: ( 0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -1.548 0.977 1.397) 2.303 1.437 ( 2.179 -1.411 0.358) 2.621 1.473 ( -4.590 2.324 -0.206) 5.149 1.515 ( 2.287 -2.580 1.754) 3.868 1.599 ( 4.384 2.365 3.742) 6.230 1.645 ( -0.159 2.441 -0.647) 2.530 1.697 ( 3.665 0.166 7.598) 8.438 1.750 ( -0.802 -0.022 2.003) 2.158 1.969 ( 3.337 1.135 10.472) 11.049 2.086 ( 6.926 3.221 5.297) 9.296 2.154 ( 6.134 -2.402 -2.155) 6.931 2.246 ( 11.401 2.151 2.432) 11.854 2.339 ( -4.662 -5.568 -1.459) 7.407 2.543 ( -8.344 -1.269 -0.458) 8.452 2.610 ( -7.595 -2.076 -1.804) 8.078 2.992 ( -6.020 0.571 1.420) 6.211 3.101 ( -5.748 0.255 -0.766) 5.804 3.235 ( 7.415 1.967 -5.765) 9.596 3.325 ( 10.737 -2.033 -2.524) 11.215 3.465 ( 7.165 4.140 -0.693) 8.304 3.509 ( 6.928 -0.045 -1.673) 7.127 3.656 ( 3.215 -3.422 -9.913) 10.969 3.741 ( -4.628 -0.786 -0.009) 4.694 3.770 ( -0.914 -1.270 -2.662) 3.088 3.994 ( 0.984 -0.025 -0.968) 1.380 4.008 ( 0.944 0.057 -1.206) 1.532 4.087 ( -1.006 0.872 1.867) 2.293 4.120 ( -2.814 -0.271 1.540) 3.219 4.152 ( -1.484 0.420 -0.056) 1.543 4.232 ( -2.095 -0.174 -1.021) 2.337 4.235 ( -2.477 0.532 -0.173) 2.539 4.259 ( -0.803 0.269 -0.501) 0.984 4.803 ( 1.523 0.624 1.806) 2.443 4.937 ( -1.000 1.419 -2.989) 3.456 5.137 ( -1.436 0.364 9.119) 9.238 5.189 ( -1.456 0.444 4.862) 5.095 ======================= Grid point 169 (55/129) ======================= q-point: ( 0.42 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 0.534 0.107 2.025) 2.097 1.371 ( -3.016 4.056 2.823) 5.790 1.477 ( 0.511 -4.321 -0.836) 4.430 1.556 ( 0.250 -1.424 0.264) 1.470 1.616 ( -0.972 3.471 -1.140) 3.781 1.648 ( 0.142 2.152 -1.329) 2.533 1.704 ( -0.880 -0.556 5.524) 5.621 1.754 ( 2.333 3.251 12.334) 12.967 2.029 ( -1.294 -4.891 5.142) 7.214 2.126 ( 0.031 -2.753 7.543) 8.030 2.254 ( -0.633 -2.152 -3.717) 4.341 2.315 ( -4.565 -0.152 1.057) 4.688 2.387 ( 2.553 3.175 -0.436) 4.098 2.458 ( 3.138 0.613 -0.208) 3.204 2.524 ( 1.366 -1.109 -0.651) 1.876 2.896 ( 0.073 1.117 2.848) 3.060 3.021 ( -0.236 0.214 -1.995) 2.020 3.293 ( 0.237 0.378 -16.059) 16.065 3.498 ( -3.460 -0.352 0.902) 3.593 3.525 ( -3.658 -0.569 0.057) 3.702 3.573 ( 2.277 -0.253 -0.333) 2.315 3.642 ( 4.192 1.895 -4.419) 6.379 3.744 ( 1.444 -1.351 -3.010) 3.601 3.783 ( 1.459 0.065 -2.656) 3.031 4.007 ( -0.870 -0.038 -0.618) 1.068 4.034 ( 0.442 -0.046 -3.226) 3.256 4.055 ( -0.616 0.405 1.952) 2.087 4.082 ( 0.221 -0.213 3.506) 3.519 4.124 ( -0.751 0.025 -0.880) 1.157 4.202 ( -0.688 0.044 0.678) 0.967 4.216 ( 0.337 -0.092 -1.268) 1.315 4.251 ( -0.298 0.039 -1.133) 1.172 4.809 ( -0.576 -0.032 1.637) 1.736 4.910 ( -1.153 0.008 -1.861) 2.190 5.118 ( -0.324 -0.009 8.722) 8.728 5.172 ( -0.243 0.053 4.160) 4.168 ======================= Grid point 170 (56/129) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.485 -0.833 1.601) 1.869 1.376 ( 2.541 -2.663 2.754) 4.597 1.493 ( -4.375 2.064 -2.185) 5.308 1.518 ( -2.677 -5.300 -0.617) 5.970 1.546 ( -3.183 0.047 0.534) 3.228 1.637 ( 0.273 2.410 -3.131) 3.961 1.716 ( -0.091 0.601 12.461) 12.476 1.749 ( -2.997 -0.719 4.799) 5.703 1.940 ( -4.584 -0.404 7.706) 8.976 2.098 ( -4.044 4.274 8.668) 10.476 2.165 ( -10.137 -1.699 -3.405) 10.828 2.210 ( -6.265 -0.186 2.440) 6.726 2.377 ( 5.013 -1.408 -5.191) 7.352 2.612 ( 9.976 0.965 0.886) 10.062 2.642 ( 7.985 1.750 0.958) 8.230 2.990 ( 7.636 0.878 1.459) 7.823 3.089 ( 4.551 -0.614 -2.183) 5.085 3.213 ( -9.279 0.129 -4.614) 10.364 3.338 ( -7.645 -1.886 -7.801) 11.084 3.368 ( -10.673 -2.226 -2.245) 11.131 3.557 ( -5.070 3.402 -0.591) 6.134 3.697 ( -0.655 0.356 -8.462) 8.495 3.775 ( 1.601 1.694 -0.241) 2.343 3.806 ( 1.830 1.722 -1.308) 2.833 3.986 ( -0.758 -0.829 -0.606) 1.276 4.008 ( -0.881 0.082 -1.156) 1.456 4.065 ( 0.436 -0.728 1.768) 1.961 4.121 ( 1.827 -0.444 0.235) 1.895 4.144 ( 2.272 0.024 0.734) 2.387 4.211 ( 2.196 -1.024 0.723) 2.529 4.243 ( 0.605 0.154 -1.500) 1.624 4.253 ( 2.409 -0.026 -0.650) 2.495 4.783 ( -2.529 -0.989 1.658) 3.182 4.894 ( -1.316 -2.000 -2.122) 3.199 5.126 ( 0.971 -0.506 8.406) 8.477 5.178 ( 0.776 -0.400 4.152) 4.243 ======================= Grid point 171 (57/129) ======================= q-point: (-0.42 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -7.012 -0.234 0.517) 7.034 1.369 ( -7.658 0.773 2.530) 8.102 1.421 ( -5.423 -7.194 1.648) 9.159 1.442 ( -3.193 -4.308 1.202) 5.496 1.518 ( -4.870 -3.522 2.799) 6.630 1.549 ( -7.738 -1.103 4.096) 8.825 1.658 ( -0.621 -0.132 -3.739) 3.793 1.729 ( -1.463 1.223 -0.174) 1.915 1.882 ( -2.276 5.640 4.529) 7.583 1.977 ( -5.192 1.352 -2.391) 5.874 2.039 ( -2.889 0.746 14.892) 15.188 2.157 ( 5.198 1.483 6.833) 8.712 2.508 ( 4.218 1.587 -5.481) 7.096 2.733 ( 1.436 3.620 0.270) 3.903 2.741 ( 2.306 0.921 0.580) 2.550 2.898 ( -16.875 -1.669 2.584) 17.153 3.020 ( -6.540 0.409 -3.900) 7.626 3.227 ( 4.078 -0.230 0.476) 4.112 3.251 ( -0.837 -1.075 -3.583) 3.834 3.273 ( -0.488 -2.735 -3.370) 4.367 3.437 ( -2.852 2.912 -2.308) 4.684 3.634 ( -3.685 2.170 -13.893) 14.537 3.748 ( -2.343 1.158 0.380) 2.641 3.830 ( -0.145 -0.737 -2.430) 2.544 3.994 ( 1.082 0.150 -0.666) 1.280 4.006 ( 0.446 0.411 -0.383) 0.718 4.079 ( 0.561 -0.893 2.397) 2.619 4.150 ( 0.818 -0.677 -0.267) 1.095 4.164 ( 0.158 -0.356 0.953) 1.030 4.235 ( -1.100 -0.234 -1.175) 1.627 4.322 ( 8.599 -0.406 0.690) 8.636 4.345 ( 6.973 1.043 -0.224) 7.054 4.717 ( -5.359 -1.868 1.876) 5.977 4.873 ( -2.984 -4.399 -3.635) 6.439 5.160 ( 2.239 -0.739 8.199) 8.531 5.208 ( 1.989 -1.211 4.975) 5.493 ======================= Grid point 172 (58/129) ======================= q-point: (-0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -14.450 -1.453 3.247) 14.881 1.157 ( -11.310 -0.759 1.985) 11.508 1.228 ( -13.206 -2.775 9.044) 16.245 1.341 ( -6.510 -4.296 1.443) 7.932 1.426 ( -7.824 -1.607 -2.123) 8.265 1.521 ( -5.724 0.408 -4.083) 7.043 1.598 ( -0.740 -2.847 -0.496) 2.983 1.674 ( -1.110 0.937 -2.518) 2.907 1.858 ( 0.549 3.353 2.499) 4.218 1.959 ( 0.507 3.233 13.554) 13.943 2.023 ( 0.975 -2.003 4.356) 4.892 2.240 ( -0.057 3.149 4.737) 5.688 2.425 ( -8.748 3.546 -1.949) 9.639 2.589 ( -7.372 -2.436 6.582) 10.178 2.669 ( -9.372 0.207 0.580) 9.392 2.703 ( -6.950 3.072 -0.590) 7.622 2.930 ( -0.510 -0.438 -7.786) 7.815 3.231 ( -1.579 1.125 -4.506) 4.906 3.262 ( -1.155 -0.237 1.118) 1.625 3.314 ( 3.174 1.072 3.724) 5.009 3.449 ( 3.196 -0.271 -6.584) 7.324 3.559 ( -2.473 2.467 -13.437) 13.884 3.723 ( 0.476 0.320 -1.579) 1.680 3.809 ( -2.370 -2.344 -3.211) 4.629 4.000 ( -0.933 0.470 0.421) 1.126 4.017 ( 1.137 0.332 -0.725) 1.389 4.101 ( 1.281 -0.513 2.371) 2.743 4.138 ( -2.068 0.103 0.627) 2.163 4.182 ( 0.726 -0.997 -0.194) 1.249 4.201 ( -2.093 -0.022 -0.851) 2.259 4.481 ( 4.640 0.171 0.645) 4.688 4.516 ( 9.344 -0.163 -0.592) 9.364 4.627 ( -1.046 -0.873 2.521) 2.866 4.831 ( -4.064 -6.024 -5.971) 9.406 5.218 ( 3.309 -0.724 8.322) 8.986 5.271 ( 3.653 -2.433 6.200) 7.597 ======================= Grid point 173 (59/129) ======================= q-point: (-0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -19.468 -2.329 4.917) 20.214 0.943 ( -13.651 4.192 5.606) 15.341 1.073 ( -2.300 -1.143 2.634) 3.679 1.191 ( -11.049 -0.196 -2.700) 11.376 1.307 ( -3.438 -6.096 0.840) 7.049 1.426 ( -5.315 0.438 -4.132) 6.746 1.569 ( -10.774 7.156 2.171) 13.115 1.630 ( 0.362 -1.175 0.305) 1.267 1.760 ( -6.799 -0.700 7.080) 9.841 1.935 ( -6.933 -2.535 13.803) 15.653 1.974 ( 1.143 1.832 6.371) 6.727 2.244 ( -5.447 -0.811 -5.536) 7.809 2.279 ( 2.952 -2.047 -1.759) 4.000 2.432 ( -9.812 1.226 2.757) 10.266 2.536 ( -5.210 4.886 -0.233) 7.146 2.651 ( 3.979 -1.995 6.339) 7.746 2.909 ( -4.110 -1.089 -3.521) 5.520 3.167 ( -2.578 3.720 -5.248) 6.930 3.203 ( -3.627 1.338 0.190) 3.870 3.368 ( 1.777 0.014 -1.704) 2.462 3.503 ( -0.026 -0.773 -13.765) 13.787 3.545 ( 4.184 1.643 -2.596) 5.191 3.741 ( 0.712 -0.383 -3.213) 3.313 3.786 ( -0.556 -0.429 -2.094) 2.209 3.955 ( -3.924 0.305 1.472) 4.202 4.028 ( -0.224 -0.317 -1.292) 1.349 4.078 ( -3.493 0.169 0.037) 3.498 4.099 ( -3.025 0.287 0.107) 3.040 4.174 ( 1.126 -0.729 0.498) 1.431 4.213 ( 1.143 -0.710 0.437) 1.415 4.401 ( -8.341 -3.117 1.581) 9.043 4.591 ( -4.814 -3.946 -6.338) 8.883 4.762 ( 7.839 -0.197 1.864) 8.060 4.872 ( 8.936 0.503 -3.975) 9.793 5.294 ( 4.099 -0.945 9.206) 10.121 5.382 ( 6.389 -4.019 7.313) 10.509 ======================= Grid point 174 (60/129) ======================= q-point: (-0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( -9.801 4.245 8.574) 13.696 0.650 ( -11.755 8.157 6.388) 15.669 0.981 ( -10.284 2.914 -4.104) 11.450 1.069 ( -9.401 5.141 6.903) 12.747 1.148 ( -6.646 5.811 0.873) 8.872 1.318 ( 1.785 -6.280 2.165) 6.879 1.438 ( -0.083 0.151 -0.044) 0.177 1.604 ( -4.173 -0.837 -3.143) 5.290 1.684 ( -5.499 -7.500 5.370) 10.738 1.825 ( -5.574 -5.997 8.282) 11.646 2.019 ( 0.887 -0.078 8.527) 8.573 2.120 ( -2.169 -1.959 2.332) 3.739 2.303 ( -2.699 1.576 2.701) 4.130 2.377 ( 1.199 2.567 -0.989) 3.001 2.495 ( 4.426 1.036 -5.057) 6.800 2.719 ( 1.917 -0.087 4.198) 4.616 2.790 ( -6.112 3.544 -1.227) 7.172 3.093 ( -4.167 -0.888 1.609) 4.554 3.177 ( 2.553 2.300 -6.661) 7.495 3.355 ( -3.143 -1.105 -13.902) 14.295 3.527 ( 2.377 -1.081 -0.864) 2.751 3.623 ( 3.784 1.435 -4.931) 6.379 3.752 ( 0.339 -0.567 -2.303) 2.396 3.783 ( -0.447 1.224 -2.839) 3.124 3.848 ( -5.903 0.351 1.353) 6.066 3.969 ( -7.049 -0.931 -2.764) 7.628 4.032 ( -2.449 0.856 -0.263) 2.607 4.044 ( -0.352 0.201 -0.531) 0.668 4.209 ( 1.103 -1.393 0.531) 1.855 4.233 ( 0.557 -0.358 0.757) 1.006 4.288 ( -4.530 -2.142 0.686) 5.058 4.408 ( -14.878 -5.723 -7.502) 17.618 4.895 ( 5.566 0.711 3.535) 6.632 5.037 ( 7.118 2.743 -3.160) 8.257 5.375 ( 3.412 -0.970 10.162) 10.764 5.573 ( 10.108 -7.487 6.875) 14.335 ======================= Grid point 175 (61/129) ======================= q-point: (-0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( -0.000 13.730 7.232) 15.518 0.498 ( -0.000 11.405 15.334) 19.110 0.696 ( -0.000 6.660 9.641) 11.718 0.957 ( -0.000 2.551 6.766) 7.231 1.125 ( 0.000 -0.798 -10.197) 10.229 1.420 ( 0.000 -1.103 0.869) 1.405 1.472 ( -0.000 0.729 0.287) 0.783 1.493 ( 0.000 -3.518 -5.674) 6.677 1.670 ( 0.000 -10.671 6.952) 12.736 1.817 ( 0.000 -7.777 8.500) 11.521 1.989 ( -0.000 4.282 6.552) 7.827 2.175 ( 0.000 -6.123 4.194) 7.421 2.286 ( 0.000 -0.872 4.631) 4.712 2.337 ( -0.000 10.186 -0.697) 10.210 2.559 ( 0.000 -1.101 -5.798) 5.901 2.673 ( -0.000 6.485 -1.181) 6.592 2.784 ( 0.000 -1.528 -2.799) 3.189 3.046 ( 0.000 -0.606 4.433) 4.474 3.226 ( 0.000 -0.555 -2.649) 2.706 3.305 ( 0.000 -0.731 -21.048) 21.060 3.577 ( 0.000 -1.548 0.373) 1.592 3.653 ( -0.000 2.424 -3.270) 4.071 3.736 ( -0.000 0.038 0.882) 0.883 3.760 ( 0.000 -0.232 -0.047) 0.237 3.791 ( 0.000 -0.521 -2.424) 2.480 3.830 ( -0.000 3.185 -3.215) 4.526 4.005 ( -0.000 0.260 0.673) 0.722 4.040 ( -0.000 0.032 -0.532) 0.533 4.221 ( 0.000 -3.061 1.183) 3.281 4.234 ( 0.000 -0.367 -0.003) 0.367 4.249 ( 0.000 -0.708 1.017) 1.239 4.264 ( 0.000 -1.053 -0.005) 1.053 4.947 ( -0.000 0.116 3.472) 3.474 5.091 ( -0.000 2.375 -2.780) 3.656 5.416 ( 0.000 -0.802 10.726) 10.756 5.773 ( 0.000 -11.892 -0.016) 11.892 ======================= Grid point 178 (62/129) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 7.040 -0.000 3.848) 8.023 1.337 ( 8.863 -0.000 2.708) 9.267 1.463 ( 0.751 -0.000 1.023) 1.269 1.501 ( 0.156 -0.000 -3.637) 3.640 1.598 ( 4.694 -0.000 11.638) 12.549 1.606 ( 1.865 -0.000 0.779) 2.022 1.683 ( -2.497 0.000 2.264) 3.370 1.728 ( 1.137 -0.000 -5.530) 5.646 1.796 ( 17.703 -0.000 2.289) 17.850 1.983 ( 4.814 -0.000 -4.007) 6.264 2.072 ( 4.828 -0.000 15.258) 16.003 2.209 ( -2.381 0.000 6.917) 7.316 2.365 ( -6.187 0.000 -1.477) 6.361 2.610 ( -0.621 0.000 1.708) 1.818 2.736 ( -5.345 0.000 -3.619) 6.455 2.930 ( 17.054 -0.000 4.049) 17.528 2.971 ( 6.701 -0.000 -5.995) 8.991 3.236 ( -3.960 0.000 1.380) 4.193 3.263 ( 1.372 -0.000 0.552) 1.479 3.372 ( 3.961 -0.000 2.349) 4.605 3.443 ( 3.288 -0.000 -0.779) 3.379 3.520 ( 1.684 -0.000 -19.100) 19.174 3.725 ( 1.967 -0.000 -2.592) 3.254 3.846 ( -3.353 0.000 -2.680) 4.292 3.991 ( 0.185 -0.000 -1.242) 1.256 3.995 ( -0.480 0.000 -0.496) 0.690 4.103 ( -0.053 0.000 2.572) 2.573 4.153 ( -0.565 0.000 1.097) 1.234 4.181 ( -1.072 0.000 0.196) 1.090 4.236 ( 1.163 -0.000 -1.212) 1.680 4.327 ( -6.110 0.000 0.313) 6.118 4.335 ( -7.553 0.000 -0.019) 7.553 4.753 ( 4.671 -0.000 2.157) 5.145 4.961 ( 0.646 -0.000 -5.768) 5.804 5.178 ( -2.403 0.000 9.817) 10.107 5.241 ( -3.335 0.000 5.772) 6.666 ======================= Grid point 179 (63/129) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -1.007 0.393 1.100) 1.542 1.430 ( 0.624 0.023 1.786) 1.892 1.485 ( -1.357 -0.112 0.373) 1.411 1.490 ( 1.117 -1.198 0.553) 1.729 1.628 ( 2.242 2.084 5.069) 5.921 1.652 ( 2.907 -0.617 0.332) 2.990 1.714 ( 2.859 2.447 5.059) 6.305 1.741 ( 2.621 -1.696 3.314) 4.553 2.010 ( -0.411 5.980 7.296) 9.442 2.082 ( 2.149 -4.875 4.915) 7.248 2.143 ( 3.228 0.793 -0.300) 3.338 2.264 ( 11.015 0.935 2.658) 11.369 2.281 ( 1.966 -3.319 0.679) 3.917 2.538 ( -6.894 -0.084 -0.756) 6.935 2.591 ( -8.235 -0.996 -3.491) 9.000 2.997 ( -5.073 0.248 0.862) 5.152 3.103 ( -5.647 0.052 -0.434) 5.664 3.260 ( 4.644 2.158 -7.679) 9.230 3.299 ( 13.056 -2.217 0.344) 13.247 3.486 ( 6.268 0.185 2.818) 6.874 3.536 ( 6.818 3.584 -2.563) 8.118 3.613 ( 4.958 -3.492 -11.530) 13.027 3.736 ( -6.848 -0.116 -0.291) 6.855 3.759 ( 0.317 -0.545 -3.429) 3.487 3.994 ( 1.092 -0.045 -0.920) 1.428 4.008 ( 0.965 0.023 -1.302) 1.621 4.094 ( -1.125 0.339 1.787) 2.139 4.118 ( -2.815 -0.119 1.650) 3.265 4.155 ( -1.542 0.162 0.053) 1.552 4.229 ( -1.857 -0.165 -1.460) 2.368 4.241 ( -2.839 0.288 0.114) 2.856 4.261 ( -0.734 0.100 -0.467) 0.876 4.808 ( 1.279 0.220 1.829) 2.243 4.948 ( -1.569 0.510 -3.315) 3.703 5.140 ( -1.573 0.137 9.404) 9.536 5.193 ( -1.679 0.177 5.045) 5.319 ======================= Grid point 180 (64/129) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 0.231 1.499 0.599) 1.631 1.414 ( -2.307 0.550 -1.138) 2.631 1.438 ( -1.236 0.447 2.663) 2.970 1.533 ( 0.335 -2.687 1.453) 3.073 1.646 ( 0.408 1.786 -1.457) 2.341 1.676 ( -1.280 2.051 6.455) 6.893 1.704 ( -1.565 0.541 2.127) 2.696 1.801 ( 2.174 4.673 6.741) 8.486 1.977 ( -1.138 -3.603 4.353) 5.764 2.063 ( 0.094 -7.005 10.981) 13.025 2.229 ( -0.768 -1.910 -4.901) 5.316 2.341 ( -3.073 3.827 1.539) 5.143 2.408 ( -1.054 0.042 0.151) 1.066 2.465 ( 5.698 0.917 0.048) 5.772 2.507 ( 2.418 -1.654 -1.357) 3.228 2.910 ( 0.269 1.111 2.541) 2.786 3.023 ( -0.326 0.199 -1.756) 1.797 3.298 ( 0.439 0.405 -16.559) 16.569 3.493 ( -6.793 -0.416 0.894) 6.864 3.519 ( -4.664 -0.406 0.421) 4.700 3.571 ( 5.387 -0.114 -0.134) 5.390 3.666 ( 4.157 2.148 -5.567) 7.272 3.727 ( 3.176 -1.591 -1.671) 3.925 3.781 ( 2.619 -0.215 -3.017) 4.001 4.006 ( -1.501 -0.021 -0.670) 1.643 4.034 ( 0.611 -0.044 -3.188) 3.247 4.061 ( -0.936 0.570 1.974) 2.258 4.079 ( 0.385 -0.385 3.520) 3.561 4.124 ( -1.306 0.008 -0.533) 1.410 4.203 ( -1.158 0.092 0.503) 1.266 4.215 ( 0.577 -0.124 -1.318) 1.445 4.252 ( -0.513 0.034 -1.205) 1.310 4.808 ( -0.998 -0.031 1.613) 1.897 4.910 ( -1.994 0.007 -1.971) 2.803 5.118 ( -0.564 -0.007 8.804) 8.822 5.173 ( -0.421 0.052 4.189) 4.210 ======================= Grid point 181 (65/129) ======================= q-point: (-0.58 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -1.688 -0.544 2.313) 2.915 1.376 ( 0.120 2.015 1.857) 2.743 1.447 ( -1.390 -5.782 -1.234) 6.073 1.505 ( -4.803 -1.718 -1.130) 5.224 1.555 ( -6.083 1.854 0.040) 6.360 1.656 ( 0.112 0.825 -3.981) 4.067 1.713 ( 1.928 -1.041 11.178) 11.391 1.740 ( -8.160 -0.364 5.931) 10.094 1.967 ( 3.012 4.806 9.324) 10.914 2.114 ( -7.240 -1.430 3.592) 8.208 2.174 ( -2.886 0.989 0.720) 3.134 2.206 ( -5.527 1.254 1.848) 5.961 2.357 ( 2.620 -1.955 -3.110) 4.512 2.601 ( 8.087 -1.823 0.987) 8.348 2.663 ( 9.728 1.169 -0.175) 9.800 3.004 ( 7.428 1.355 0.840) 7.597 3.084 ( 3.379 -0.262 -2.505) 4.215 3.219 ( -10.334 0.872 -2.779) 10.737 3.306 ( -6.616 -2.993 -9.971) 12.335 3.357 ( -10.526 -0.379 -2.916) 10.930 3.599 ( -3.686 3.725 -1.468) 5.442 3.694 ( -1.109 -0.915 -7.238) 7.380 3.792 ( 1.973 1.112 -0.103) 2.268 3.824 ( 1.632 1.255 -1.243) 2.405 3.976 ( -0.734 -0.777 -0.151) 1.079 4.009 ( -0.866 -0.006 -1.442) 1.682 4.059 ( 0.207 -0.345 1.552) 1.603 4.114 ( 0.980 -0.635 -0.320) 1.211 4.146 ( 3.011 0.209 1.291) 3.282 4.201 ( 1.922 -0.687 0.839) 2.207 4.242 ( -0.492 -0.221 -1.355) 1.459 4.255 ( 3.678 0.270 -0.936) 3.805 4.773 ( -3.057 -0.776 1.558) 3.518 4.874 ( -2.456 -1.466 -1.899) 3.434 5.121 ( 0.752 -0.383 8.222) 8.265 5.175 ( 0.537 -0.227 3.838) 3.882 ======================= Grid point 182 (66/129) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -6.328 -0.802 -0.551) 6.402 1.322 ( -7.928 -7.166 3.141) 11.139 1.379 ( -6.814 -4.632 4.291) 9.290 1.390 ( -3.893 -0.050 -1.529) 4.183 1.482 ( -6.262 -2.584 4.749) 8.273 1.561 ( -5.426 2.033 3.455) 6.746 1.651 ( -1.937 -0.984 -4.562) 5.053 1.733 ( -3.482 -0.459 -1.967) 4.025 1.941 ( -2.356 3.832 8.457) 9.579 2.004 ( -1.628 3.847 -0.628) 4.225 2.060 ( -4.208 2.245 10.959) 11.952 2.185 ( 6.381 3.491 6.198) 9.556 2.514 ( 6.684 -0.220 -5.666) 8.765 2.735 ( 1.900 -1.372 2.173) 3.197 2.777 ( 0.249 3.178 0.210) 3.194 2.877 ( -15.021 -2.060 1.362) 15.223 3.013 ( -8.411 -1.330 -3.613) 9.250 3.225 ( 3.316 -0.182 -0.875) 3.435 3.237 ( -1.551 -1.054 -8.368) 8.576 3.258 ( 2.732 -0.276 -0.792) 2.858 3.479 ( -3.932 4.324 -2.710) 6.442 3.646 ( -3.309 -0.148 -11.752) 12.210 3.762 ( -2.957 1.247 0.436) 3.239 3.822 ( -1.691 -0.624 -2.648) 3.203 3.996 ( 1.848 0.187 -0.330) 1.886 4.010 ( 0.508 0.284 -0.291) 0.650 4.071 ( 0.768 -0.554 2.045) 2.253 4.140 ( 1.093 -0.924 -0.865) 1.672 4.162 ( -0.302 -0.130 1.223) 1.267 4.231 ( -1.021 -0.423 -1.156) 1.599 4.319 ( 9.141 -0.146 1.144) 9.213 4.358 ( 7.483 1.101 -0.456) 7.578 4.695 ( -5.890 -1.840 1.675) 6.394 4.824 ( -4.574 -4.027 -2.774) 6.696 5.152 ( 2.250 -0.656 7.747) 8.094 5.197 ( 1.524 -0.804 4.399) 4.725 ======================= Grid point 183 (67/129) ======================= q-point: (-0.42 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -16.359 -3.171 3.847) 17.102 1.152 ( -7.740 -0.231 0.318) 7.750 1.229 ( -8.920 1.717 10.786) 14.101 1.301 ( -9.263 -2.553 2.596) 9.953 1.398 ( -4.823 -3.437 -3.671) 6.968 1.508 ( -8.696 -2.745 -4.009) 9.961 1.567 ( 0.164 -2.180 -0.150) 2.192 1.668 ( -0.762 -2.211 -2.718) 3.585 1.902 ( -1.217 4.888 3.232) 5.985 1.987 ( -1.906 1.471 20.731) 20.870 2.031 ( 2.444 3.057 -3.904) 5.527 2.263 ( -1.106 1.051 4.437) 4.692 2.463 ( -11.433 2.411 -3.591) 12.224 2.568 ( -5.652 -1.040 6.212) 8.463 2.672 ( -8.966 0.491 2.574) 9.341 2.748 ( -6.045 4.417 -1.687) 7.674 2.915 ( -1.164 -2.013 -6.960) 7.338 3.244 ( 0.508 0.794 -4.741) 4.834 3.258 ( -0.171 -0.473 0.707) 0.868 3.322 ( 2.717 0.200 1.018) 2.909 3.451 ( 2.048 0.874 -7.132) 7.472 3.586 ( -2.373 2.103 -10.700) 11.160 3.725 ( 0.234 -0.057 -1.169) 1.193 3.783 ( -2.449 -1.902 -3.655) 4.793 4.006 ( -0.927 0.443 0.441) 1.119 4.022 ( 0.881 0.429 -0.708) 1.209 4.096 ( 1.487 -0.326 2.155) 2.638 4.139 ( -1.928 0.102 0.732) 2.065 4.170 ( 1.076 -0.989 -0.326) 1.497 4.200 ( -2.281 -0.124 -0.920) 2.462 4.481 ( 0.397 -0.239 0.438) 0.637 4.516 ( 9.027 0.322 -0.496) 9.046 4.616 ( 2.537 -0.971 2.256) 3.531 4.756 ( -4.300 -6.784 -3.616) 8.808 5.211 ( 3.341 -0.503 7.350) 8.089 5.246 ( 3.051 -1.931 5.797) 6.829 ======================= Grid point 184 (68/129) ======================= q-point: (-0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -14.254 3.279 5.098) 15.489 0.999 ( -11.980 5.109 6.524) 14.567 1.065 ( -2.011 -0.409 3.293) 3.880 1.175 ( -8.334 -2.863 -1.596) 8.956 1.244 ( -5.555 -4.278 0.873) 7.065 1.429 ( -3.953 -0.007 -5.845) 7.056 1.599 ( -1.179 -2.014 1.008) 2.542 1.632 ( -4.018 1.358 0.658) 4.292 1.763 ( -13.135 0.471 6.342) 14.593 1.907 ( -7.696 -1.786 9.704) 12.513 1.994 ( -1.066 1.638 10.905) 11.079 2.231 ( -7.791 -1.416 -4.211) 8.969 2.256 ( 1.438 -1.817 -3.158) 3.917 2.449 ( -9.351 1.796 3.686) 10.210 2.593 ( -3.383 4.945 -0.585) 6.020 2.641 ( 3.945 0.196 5.443) 6.725 2.895 ( -3.218 -1.267 -3.697) 5.063 3.186 ( -4.988 0.307 -0.311) 5.007 3.241 ( -0.613 4.405 -4.561) 6.370 3.361 ( 0.444 -1.398 -3.932) 4.196 3.494 ( 0.774 -0.612 -10.839) 10.884 3.565 ( 2.803 1.782 -2.409) 4.103 3.738 ( 0.218 -0.048 -4.295) 4.300 3.782 ( 1.676 -0.292 -2.122) 2.719 3.959 ( -4.117 0.363 1.300) 4.333 4.026 ( -0.631 -0.101 -1.468) 1.601 4.081 ( -3.468 0.321 0.230) 3.491 4.102 ( -2.438 0.278 0.390) 2.485 4.165 ( 0.379 -0.818 0.406) 0.988 4.204 ( 1.259 -0.911 0.259) 1.575 4.364 ( -8.442 -3.267 1.438) 9.166 4.526 ( -9.227 -6.853 -5.845) 12.894 4.774 ( 9.473 1.825 2.823) 10.051 4.872 ( 11.967 -0.371 -1.401) 12.055 5.282 ( 3.746 -1.099 8.462) 9.319 5.341 ( 5.476 -3.029 6.475) 9.005 ======================= Grid point 185 (69/129) ======================= q-point: (-0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -1.055 12.540 5.615) 13.780 0.739 ( -9.445 7.063 7.061) 13.746 1.012 ( -6.122 2.903 -1.301) 6.899 1.096 ( -1.594 0.246 -1.830) 2.439 1.227 ( -5.565 -0.777 2.873) 6.311 1.268 ( -5.839 4.073 4.202) 8.267 1.437 ( -2.888 0.541 0.759) 3.034 1.592 ( -6.031 -2.689 0.881) 6.661 1.596 ( -5.728 -6.042 3.176) 8.911 1.759 ( -8.243 -5.377 2.000) 10.043 2.003 ( 1.445 -2.148 13.319) 13.569 2.106 ( -3.900 -0.939 4.427) 5.974 2.310 ( -4.511 -0.592 4.517) 6.411 2.375 ( 5.976 -1.731 -6.027) 8.663 2.526 ( -0.149 3.207 -4.182) 5.272 2.726 ( 3.473 1.448 4.263) 5.687 2.824 ( -3.010 1.876 -2.015) 4.079 3.085 ( -4.854 -0.523 1.723) 5.177 3.209 ( 0.112 3.007 -5.746) 6.486 3.340 ( -2.970 -1.156 -14.706) 15.047 3.517 ( 2.031 -0.621 0.098) 2.126 3.633 ( 3.595 0.326 -6.367) 7.319 3.748 ( 0.694 -0.105 -2.236) 2.343 3.799 ( -1.508 1.439 -1.955) 2.857 3.852 ( -4.907 0.385 0.826) 4.991 3.959 ( -6.243 -0.720 -2.683) 6.833 4.041 ( -1.857 0.599 -0.269) 1.969 4.047 ( -1.148 0.362 -0.585) 1.338 4.188 ( -0.149 -2.316 1.044) 2.545 4.228 ( 0.680 -0.603 0.576) 1.076 4.260 ( -3.698 -2.575 0.855) 4.586 4.339 ( -12.394 -5.916 -3.624) 14.204 4.915 ( 6.055 2.678 4.085) 7.779 5.063 ( 7.138 1.733 -2.282) 7.692 5.361 ( 3.271 -1.541 9.930) 10.568 5.492 ( 7.370 -6.192 6.315) 11.512 ======================= Grid point 186 (70/129) ======================= q-point: (-0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -0.000 14.192 5.051) 15.064 0.659 ( -0.000 15.663 10.148) 18.663 0.790 ( -0.000 8.684 -0.157) 8.685 1.008 ( -0.000 6.752 12.155) 13.905 1.109 ( 0.000 -2.147 -6.125) 6.490 1.412 ( 0.000 -0.073 -0.339) 0.347 1.434 ( 0.000 -6.456 -0.506) 6.476 1.478 ( -0.000 0.367 -1.022) 1.086 1.547 ( 0.000 -10.376 6.127) 12.049 1.724 ( 0.000 -8.091 0.089) 8.091 2.024 ( -0.000 1.074 13.437) 13.480 2.106 ( 0.000 -4.972 6.157) 7.914 2.271 ( 0.000 -1.772 4.642) 4.968 2.429 ( -0.000 5.021 -4.086) 6.474 2.540 ( 0.000 -2.117 -5.671) 6.053 2.740 ( -0.000 4.355 0.157) 4.358 2.789 ( -0.000 2.868 -4.856) 5.640 3.036 ( 0.000 -1.028 4.382) 4.501 3.217 ( 0.000 -1.001 -2.689) 2.869 3.298 ( 0.000 -0.087 -20.232) 20.232 3.560 ( 0.000 -1.348 0.572) 1.464 3.672 ( -0.000 0.724 -6.399) 6.439 3.736 ( -0.000 0.062 0.887) 0.889 3.757 ( 0.000 -0.326 0.086) 0.337 3.786 ( 0.000 -0.383 -0.949) 1.024 3.875 ( -0.000 4.337 -4.162) 6.011 4.009 ( -0.000 0.435 0.597) 0.738 4.040 ( -0.000 0.044 -0.481) 0.483 4.178 ( 0.000 -3.890 3.012) 4.919 4.229 ( 0.000 -0.776 -0.320) 0.840 4.241 ( 0.000 -1.426 1.176) 1.848 4.247 ( 0.000 -1.042 0.392) 1.113 4.960 ( -0.000 2.184 4.397) 4.909 5.118 ( -0.000 2.164 -2.526) 3.326 5.404 ( 0.000 -1.364 10.409) 10.498 5.635 ( 0.000 -10.884 4.730) 11.868 ======================= Grid point 191 (71/129) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 1.029 -0.000 -0.528) 1.157 1.397 ( -2.468 0.000 -0.946) 2.643 1.468 ( -1.134 0.000 1.393) 1.796 1.506 ( -0.554 0.000 3.436) 3.481 1.656 ( 0.631 -0.000 -1.497) 1.624 1.687 ( -1.606 0.000 13.174) 13.272 1.709 ( -1.886 0.000 -2.352) 3.015 1.837 ( -0.397 0.000 0.489) 0.630 1.957 ( 2.312 -0.000 3.781) 4.432 2.009 ( -0.616 0.000 16.297) 16.309 2.217 ( -0.915 0.000 -5.473) 5.549 2.381 ( 0.004 -0.000 0.930) 0.930 2.390 ( -5.020 0.000 0.790) 5.082 2.476 ( 8.336 -0.000 1.823) 8.533 2.493 ( 0.959 -0.000 -3.108) 3.253 2.917 ( 0.385 -0.000 2.368) 2.399 3.024 ( -0.332 0.000 -1.642) 1.675 3.300 ( 0.525 -0.000 -16.828) 16.836 3.491 ( -8.189 0.000 0.969) 8.246 3.516 ( -4.607 0.000 0.553) 4.640 3.571 ( 6.659 -0.000 -0.046) 6.659 3.682 ( 2.243 -0.000 -7.681) 8.002 3.714 ( 5.338 -0.000 0.449) 5.356 3.780 ( 3.022 -0.000 -3.096) 4.327 4.006 ( -1.727 0.000 -0.698) 1.862 4.033 ( 0.645 -0.000 -3.182) 3.246 4.065 ( -1.227 0.000 1.781) 2.163 4.075 ( 0.635 -0.000 3.738) 3.791 4.124 ( -1.506 0.000 -0.355) 1.548 4.204 ( -1.348 0.000 0.441) 1.418 4.214 ( 0.693 -0.000 -1.372) 1.537 4.252 ( -0.590 0.000 -1.240) 1.373 4.808 ( -1.153 0.000 1.600) 1.972 4.910 ( -2.300 0.000 -2.025) 3.064 5.118 ( -0.653 0.000 8.845) 8.869 5.173 ( -0.487 0.000 4.202) 4.231 ======================= Grid point 192 (72/129) ======================= q-point: (-0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -3.682 1.919 0.912) 4.251 1.386 ( -2.552 -3.961 -0.248) 4.719 1.411 ( -1.772 3.263 2.076) 4.255 1.468 ( -3.555 -3.923 1.332) 5.460 1.576 ( -8.010 1.297 -2.167) 8.399 1.659 ( 0.088 -0.049 -2.932) 2.934 1.702 ( 1.993 -0.568 10.932) 11.127 1.740 ( -7.309 0.058 3.797) 8.237 2.030 ( 3.415 4.756 13.918) 15.099 2.102 ( -5.230 0.313 -0.539) 5.267 2.139 ( 3.424 -4.732 -0.118) 5.842 2.250 ( -7.378 3.592 2.541) 8.590 2.333 ( 0.704 -1.989 -0.940) 2.310 2.584 ( 7.105 -0.840 0.418) 7.166 2.669 ( 10.381 0.025 -1.100) 10.439 3.016 ( 7.014 0.628 0.413) 7.054 3.083 ( 2.713 -0.020 -2.455) 3.659 3.230 ( -12.887 0.772 0.887) 12.941 3.279 ( -4.206 -1.490 -13.504) 14.222 3.354 ( -10.204 -0.123 -3.566) 10.810 3.639 ( -1.864 3.002 -2.111) 4.116 3.677 ( -2.326 -1.951 -6.483) 7.158 3.800 ( 2.411 0.389 0.205) 2.451 3.834 ( 1.246 0.431 -1.301) 1.852 3.970 ( -0.568 -0.277 0.071) 0.636 4.008 ( -0.922 -0.037 -1.707) 1.941 4.057 ( 0.092 -0.089 1.429) 1.434 4.109 ( 0.535 -0.283 -0.403) 0.727 4.148 ( 3.405 0.095 1.493) 3.719 4.196 ( 1.716 -0.232 0.853) 1.930 4.240 ( -0.689 -0.112 -1.328) 1.500 4.258 ( 3.978 0.118 -1.062) 4.119 4.767 ( -3.384 -0.295 1.490) 3.710 4.862 ( -3.124 -0.535 -1.818) 3.654 5.118 ( 0.622 -0.142 8.146) 8.171 5.173 ( 0.419 -0.070 3.668) 3.693 ======================= Grid point 193 (73/129) ======================= q-point: (-0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -7.003 -4.605 3.356) 9.028 1.285 ( -7.677 -1.837 0.013) 7.893 1.336 ( -5.496 -1.657 1.199) 5.864 1.398 ( -4.985 0.486 3.858) 6.322 1.459 ( -5.535 -1.288 2.299) 6.131 1.585 ( -6.363 1.924 3.172) 7.366 1.638 ( -3.606 -1.078 -5.287) 6.490 1.723 ( -4.692 -1.093 -2.615) 5.482 1.967 ( 0.216 1.276 11.023) 11.099 2.054 ( -1.866 3.911 1.574) 4.610 2.081 ( -5.231 1.245 7.372) 9.124 2.231 ( 7.145 3.920 5.496) 9.829 2.507 ( 8.971 -0.767 -4.661) 10.138 2.713 ( 2.983 -2.024 2.576) 4.431 2.805 ( -3.720 1.624 0.924) 4.163 2.853 ( -10.985 -1.743 -0.471) 11.132 2.998 ( -9.879 -1.062 -3.999) 10.711 3.223 ( 1.145 -0.046 -3.844) 4.011 3.228 ( -0.298 -0.567 -6.337) 6.369 3.260 ( 3.745 0.364 -1.625) 4.099 3.532 ( -4.469 4.801 -4.299) 7.842 3.630 ( -3.281 -2.571 -7.809) 8.852 3.777 ( -3.271 1.229 -0.435) 3.521 3.815 ( -2.518 -0.630 -3.195) 4.116 3.998 ( 2.350 0.192 -0.121) 2.361 4.012 ( 0.608 0.113 -0.226) 0.658 4.067 ( 0.871 -0.219 1.702) 1.924 4.131 ( 1.302 -0.595 -1.052) 1.776 4.161 ( -0.496 -0.090 1.188) 1.291 4.226 ( -1.021 -0.359 -1.117) 1.555 4.319 ( 9.571 0.025 1.520) 9.691 4.369 ( 7.981 0.736 -0.614) 8.038 4.677 ( -6.434 -1.188 1.502) 6.713 4.786 ( -5.912 -2.399 -2.270) 6.771 5.146 ( 2.261 -0.396 7.528) 7.871 5.190 ( 1.266 -0.368 3.959) 4.173 ======================= Grid point 194 (74/129) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -11.611 -0.389 3.055) 12.013 1.149 ( -6.832 -0.292 -0.569) 6.862 1.252 ( -6.584 1.900 10.811) 12.800 1.283 ( -10.994 -0.818 2.702) 11.351 1.350 ( -2.045 -4.619 -0.980) 5.146 1.470 ( -11.663 -3.294 -4.267) 12.849 1.548 ( 0.224 -1.225 0.543) 1.359 1.634 ( -2.347 -3.127 -2.328) 4.550 1.965 ( -2.820 5.359 6.043) 8.555 2.002 ( -2.707 1.523 14.424) 14.755 2.069 ( 2.969 3.087 -2.158) 4.796 2.265 ( -6.076 -0.779 3.453) 7.031 2.475 ( -12.703 0.156 -4.723) 13.554 2.566 ( -2.111 0.442 6.262) 6.623 2.681 ( -7.924 0.850 3.243) 8.604 2.799 ( -4.963 4.367 -2.015) 6.911 2.890 ( -0.599 -2.041 -5.674) 6.059 3.245 ( 3.069 -0.822 -5.830) 6.639 3.252 ( -0.758 -0.434 0.826) 1.202 3.320 ( 1.226 -0.358 -1.558) 2.015 3.469 ( 0.277 2.145 -7.430) 7.739 3.602 ( -0.883 0.630 -7.884) 7.958 3.723 ( -0.379 -0.231 -0.368) 0.577 3.768 ( -2.340 -0.788 -4.987) 5.565 4.010 ( -0.915 0.287 0.479) 1.072 4.027 ( 0.721 0.378 -0.703) 1.075 4.094 ( 1.669 -0.102 1.992) 2.601 4.140 ( -1.786 0.059 0.913) 2.007 4.161 ( 1.347 -0.582 -0.513) 1.554 4.198 ( -2.210 -0.255 -0.925) 2.410 4.477 ( -3.051 -0.409 0.286) 3.091 4.523 ( 6.658 0.814 -0.834) 6.759 4.605 ( 6.422 -1.091 2.130) 6.853 4.685 ( -3.807 -5.376 -1.442) 6.744 5.207 ( 3.577 -0.221 6.726) 7.621 5.228 ( 2.546 -1.217 5.352) 6.050 ======================= Grid point 195 (75/129) ======================= q-point: (-0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -7.588 8.333 2.767) 11.605 1.043 ( -12.864 1.571 11.160) 17.102 1.066 ( -2.070 0.949 -3.170) 3.904 1.132 ( -5.451 -3.534 1.100) 6.589 1.221 ( -6.187 0.223 2.329) 6.614 1.421 ( -1.570 -1.693 -4.190) 4.784 1.569 ( 0.039 -2.729 0.508) 2.776 1.623 ( -3.620 -2.850 0.852) 4.685 1.751 ( -16.460 -2.359 6.528) 17.864 1.906 ( -8.223 1.476 5.487) 9.996 2.010 ( -2.524 1.061 14.209) 14.470 2.208 ( -12.083 -2.424 -3.133) 12.716 2.248 ( 2.889 0.373 -6.543) 7.162 2.471 ( -10.082 2.058 4.690) 11.309 2.639 ( 3.797 2.350 5.980) 7.463 2.660 ( -3.403 3.665 -1.600) 5.251 2.881 ( -2.647 -1.341 -3.585) 4.654 3.187 ( -5.069 -0.091 0.699) 5.118 3.286 ( -0.246 3.121 -4.008) 5.085 3.337 ( 0.526 -2.620 -7.020) 7.512 3.491 ( 1.301 0.100 -8.585) 8.684 3.583 ( 1.002 1.418 -2.540) 3.077 3.740 ( 0.127 0.406 -5.098) 5.115 3.780 ( 3.849 -0.128 -2.210) 4.440 3.963 ( -4.291 0.329 1.175) 4.461 4.026 ( -0.909 0.102 -1.551) 1.801 4.086 ( -3.412 0.540 0.353) 3.472 4.105 ( -1.970 0.273 0.693) 2.106 4.156 ( -0.638 -0.749 0.320) 1.035 4.194 ( 1.342 -0.804 0.122) 1.569 4.329 ( -8.670 -2.771 1.095) 9.168 4.446 ( -10.962 -6.821 -4.157) 13.564 4.797 ( 10.572 1.945 2.778) 11.103 4.866 ( 13.554 -0.733 0.894) 13.603 5.270 ( 3.046 -1.017 7.584) 8.236 5.315 ( 5.359 -1.544 5.611) 7.912 ======================= Grid point 196 (76/129) ======================= q-point: (-0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 2.546 14.615 2.041) 14.975 0.798 ( -8.058 3.027 6.640) 10.871 1.050 ( -2.351 3.480 2.307) 4.792 1.088 ( -2.345 -1.382 -0.034) 2.722 1.186 ( 2.455 -1.907 2.701) 4.118 1.315 ( -7.442 0.091 -1.165) 7.533 1.465 ( -9.900 2.635 4.583) 11.223 1.523 ( -5.917 -3.700 2.713) 7.487 1.581 ( -4.603 -0.896 0.786) 4.755 1.707 ( -10.112 -3.615 -1.544) 10.849 1.982 ( -0.584 -1.268 13.723) 13.794 2.089 ( -2.938 -2.209 8.250) 9.032 2.291 ( -4.103 -2.163 5.016) 6.832 2.359 ( 4.311 -0.954 -7.508) 8.710 2.554 ( -3.138 1.832 -4.918) 6.114 2.748 ( 5.131 2.068 4.439) 7.093 2.829 ( -2.343 -0.961 -2.433) 3.512 3.081 ( -5.415 -0.222 2.056) 5.797 3.236 ( -2.713 1.143 -3.478) 4.556 3.338 ( -0.858 1.289 -16.026) 16.101 3.514 ( 1.936 0.190 0.076) 1.946 3.630 ( 2.857 -0.886 -6.420) 7.083 3.750 ( 0.900 0.538 -2.559) 2.766 3.814 ( -3.355 1.249 -1.019) 3.723 3.855 ( -4.204 0.060 0.220) 4.211 3.954 ( -5.037 -0.241 -3.018) 5.877 4.045 ( -0.772 0.261 -0.236) 0.848 4.051 ( -2.333 0.304 -0.629) 2.435 4.158 ( -1.610 -2.630 1.780) 3.560 4.220 ( 0.594 -0.957 0.001) 1.127 4.230 ( -3.079 -2.592 1.284) 4.225 4.283 ( -7.751 -3.719 -1.612) 8.747 4.950 ( 6.437 3.155 4.112) 8.264 5.076 ( 7.449 0.639 0.007) 7.476 5.339 ( 2.955 -2.219 9.832) 10.503 5.438 ( 5.856 -3.169 4.279) 7.914 ======================= Grid point 197 (77/129) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -0.000 9.167 8.443) 12.463 0.833 ( -0.000 13.782 6.244) 15.131 0.878 ( -0.000 6.955 -7.194) 10.006 1.083 ( 0.000 -1.520 -1.759) 2.324 1.106 ( -0.000 9.107 11.849) 14.944 1.365 ( 0.000 -4.522 1.604) 4.798 1.418 ( -0.000 0.800 -1.322) 1.545 1.431 ( 0.000 -10.072 6.273) 11.866 1.482 ( -0.000 0.301 -2.188) 2.208 1.644 ( 0.000 -5.529 -2.989) 6.286 2.001 ( 0.000 -3.896 14.200) 14.724 2.078 ( 0.000 -0.924 11.574) 11.611 2.246 ( 0.000 -2.517 4.609) 5.251 2.456 ( -0.000 0.542 -7.739) 7.758 2.511 ( 0.000 -2.858 -5.551) 6.243 2.782 ( -0.000 3.154 0.674) 3.226 2.818 ( -0.000 1.267 -4.107) 4.298 3.023 ( 0.000 -1.156 4.328) 4.480 3.204 ( 0.000 -1.195 -2.711) 2.963 3.311 ( -0.000 2.597 -18.782) 18.961 3.549 ( 0.000 -0.498 0.995) 1.113 3.671 ( 0.000 -0.858 -7.704) 7.752 3.737 ( -0.000 0.067 0.897) 0.899 3.753 ( 0.000 -0.274 0.245) 0.367 3.782 ( 0.000 -0.203 -0.487) 0.528 3.921 ( -0.000 3.370 -4.971) 6.005 4.015 ( -0.000 0.492 0.494) 0.697 4.040 ( -0.000 0.027 -0.411) 0.412 4.139 ( 0.000 -2.810 3.366) 4.385 4.208 ( 0.000 -2.543 0.193) 2.550 4.229 ( 0.000 -0.477 0.535) 0.717 4.239 ( 0.000 -0.643 0.545) 0.843 4.993 ( -0.000 3.396 4.575) 5.698 5.138 ( -0.000 1.336 -0.656) 1.489 5.384 ( 0.000 -2.132 10.411) 10.627 5.536 ( 0.000 -6.504 3.988) 7.629 ======================= Grid point 204 (78/129) ======================= q-point: (-0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -7.730 0.000 3.914) 8.664 1.271 ( -6.474 0.000 0.398) 6.486 1.330 ( -6.275 0.000 0.348) 6.285 1.400 ( -4.192 0.000 6.044) 7.355 1.452 ( -5.964 0.000 0.325) 5.973 1.598 ( -6.663 0.000 3.019) 7.315 1.631 ( -4.141 0.000 -5.791) 7.119 1.715 ( -5.065 0.000 -2.503) 5.650 1.975 ( 1.513 -0.000 11.405) 11.505 2.078 ( -4.417 0.000 9.779) 10.730 2.088 ( -3.526 0.000 -1.020) 3.671 2.257 ( 7.032 -0.000 5.333) 8.825 2.501 ( 10.319 -0.000 -3.892) 11.029 2.700 ( 3.499 -0.000 2.418) 4.253 2.813 ( -9.486 0.000 1.916) 9.678 2.843 ( -5.443 0.000 -1.965) 5.786 2.991 ( -10.261 0.000 -4.244) 11.104 3.223 ( -3.225 0.000 -10.319) 10.811 3.225 ( 3.638 -0.000 0.148) 3.641 3.262 ( 3.951 -0.000 -2.092) 4.471 3.576 ( -5.521 0.000 -8.868) 10.446 3.600 ( -2.506 0.000 -2.238) 3.360 3.786 ( -3.212 0.000 -0.520) 3.254 3.810 ( -2.810 0.000 -3.803) 4.728 4.000 ( 2.483 -0.000 -0.067) 2.484 4.013 ( 0.671 -0.000 -0.203) 0.701 4.065 ( 0.901 -0.000 1.567) 1.807 4.128 ( 1.415 -0.000 -1.096) 1.790 4.160 ( -0.555 0.000 1.160) 1.286 4.224 ( -1.050 0.000 -1.094) 1.517 4.319 ( 9.746 -0.000 1.670) 9.888 4.373 ( 8.206 -0.000 -0.671) 8.233 4.670 ( -6.685 0.000 1.433) 6.837 4.772 ( -6.439 0.000 -2.114) 6.777 5.144 ( 2.262 -0.000 7.464) 7.799 5.188 ( 1.189 -0.000 3.802) 3.984 ======================= Grid point 206 (79/129) ======================= q-point: (-0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -7.363 0.653 0.883) 7.445 1.150 ( -6.148 0.509 -0.698) 6.209 1.254 ( -3.814 -1.683 4.658) 6.251 1.282 ( -9.160 0.710 4.001) 10.021 1.311 ( -5.236 -1.537 7.866) 9.573 1.443 ( -13.384 -1.231 -5.079) 14.369 1.539 ( -0.316 -0.369 0.787) 0.925 1.606 ( -3.707 -1.436 -2.283) 4.584 1.999 ( -3.501 0.808 18.958) 19.295 2.031 ( -2.403 2.618 -0.495) 3.587 2.094 ( 3.928 1.095 -1.540) 4.359 2.251 ( -11.357 -1.100 2.919) 11.777 2.476 ( -13.454 0.050 -5.661) 14.596 2.571 ( 0.015 0.281 7.165) 7.170 2.687 ( -6.316 0.295 2.939) 6.972 2.838 ( -3.882 1.970 -2.032) 4.804 2.873 ( -0.013 -0.827 -4.599) 4.672 3.232 ( 3.739 -0.874 -6.979) 7.965 3.249 ( -1.296 -0.112 0.537) 1.407 3.317 ( 0.483 -0.116 -1.820) 1.887 3.491 ( -1.619 1.216 -9.133) 9.355 3.603 ( 1.499 -0.282 -4.601) 4.848 3.723 ( -1.540 0.145 -0.415) 1.601 3.763 ( -1.909 -0.265 -6.038) 6.338 4.012 ( -0.904 0.095 0.503) 1.039 4.030 ( 0.646 0.152 -0.704) 0.967 4.094 ( 1.783 -0.004 1.919) 2.619 4.140 ( -1.639 -0.030 1.039) 1.941 4.157 ( 1.520 -0.081 -0.622) 1.645 4.195 ( -2.097 -0.175 -0.905) 2.291 4.473 ( -4.991 -0.183 0.198) 4.998 4.533 ( 2.849 0.752 -1.879) 3.495 4.591 ( 9.025 -1.087 2.631) 9.464 4.643 ( -1.714 -1.795 0.002) 2.481 5.205 ( 4.055 -0.027 6.600) 7.746 5.218 ( 1.986 -0.441 4.933) 5.336 ======================= Grid point 207 (80/129) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -2.561 8.354 -0.992) 8.794 1.043 ( -9.907 -0.634 9.483) 13.728 1.066 ( -8.250 -0.688 -1.454) 8.405 1.111 ( -5.664 -1.137 -2.098) 6.146 1.249 ( -1.903 4.464 6.849) 8.394 1.384 ( 1.756 -4.904 0.845) 5.277 1.543 ( -0.588 -1.585 -0.187) 1.700 1.576 ( -2.120 -4.466 0.580) 4.978 1.728 ( -22.129 -1.337 6.534) 23.112 1.929 ( -8.750 2.127 1.542) 9.136 2.016 ( -2.452 -0.129 18.096) 18.262 2.185 ( -13.135 -1.396 -5.407) 14.273 2.254 ( 3.466 0.360 -7.709) 8.460 2.494 ( -10.994 1.627 5.055) 12.209 2.656 ( 5.910 0.997 8.003) 9.999 2.707 ( -6.652 3.721 -3.284) 8.299 2.865 ( -2.972 -1.380 -3.310) 4.658 3.186 ( -4.983 -0.114 1.005) 5.085 3.295 ( -2.293 -1.772 -4.495) 5.348 3.324 ( 3.920 0.929 -6.709) 7.826 3.495 ( 1.525 0.418 -8.476) 8.622 3.596 ( -0.696 0.734 -2.817) 2.993 3.746 ( 0.310 0.456 -5.462) 5.490 3.779 ( 5.390 -0.035 -2.264) 5.847 3.966 ( -4.384 0.196 1.122) 4.529 4.027 ( -1.049 0.135 -1.561) 1.885 4.093 ( -3.160 0.573 0.390) 3.235 4.108 ( -1.676 0.209 0.921) 1.924 4.149 ( -1.798 -0.530 0.309) 1.900 4.187 ( 1.351 -0.373 0.056) 1.403 4.303 ( -8.916 -1.635 0.710) 9.093 4.380 ( -11.201 -4.389 -2.857) 12.365 4.815 ( 11.268 1.158 2.664) 11.637 4.858 ( 14.180 -0.538 2.448) 14.400 5.260 ( 2.443 -0.585 6.826) 7.274 5.304 ( 5.568 -0.567 5.162) 7.614 ======================= Grid point 208 (81/129) ======================= q-point: (-0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -9.893 -1.163 9.872) 14.024 0.898 ( 4.057 12.294 -2.536) 13.192 1.063 ( -2.065 -2.220 1.530) 3.396 1.077 ( 1.891 0.514 0.836) 2.130 1.216 ( 2.065 6.796 5.699) 9.106 1.290 ( -11.708 -3.140 1.092) 12.171 1.451 ( -3.953 -2.635 3.233) 5.746 1.516 ( -4.841 -0.434 -0.016) 4.860 1.564 ( -5.548 -3.356 0.666) 6.518 1.689 ( -10.629 0.973 -2.700) 11.010 1.977 ( -1.835 0.417 13.730) 13.858 2.057 ( -2.462 -3.259 10.493) 11.260 2.277 ( -4.987 0.151 3.851) 6.302 2.348 ( 2.058 -1.271 -6.355) 6.800 2.571 ( -5.671 1.186 -5.557) 8.028 2.767 ( 5.861 1.248 4.664) 7.594 2.806 ( -3.181 -2.594 -2.682) 4.903 3.079 ( -5.721 -0.155 2.278) 6.160 3.234 ( -4.040 -0.930 -3.269) 5.279 3.368 ( 1.543 3.171 -14.235) 14.665 3.522 ( 2.004 1.194 -1.508) 2.778 3.614 ( 1.911 -1.789 -5.370) 5.974 3.759 ( 1.051 0.903 -2.962) 3.270 3.827 ( -5.277 0.919 -0.137) 5.358 3.852 ( -4.415 -0.472 -0.118) 4.441 3.954 ( -3.546 0.147 -3.981) 5.333 4.047 ( -0.818 0.067 -0.230) 0.852 4.053 ( -2.492 -0.014 -0.511) 2.544 4.132 ( -1.868 -1.843 2.341) 3.516 4.197 ( -3.061 -2.259 -0.017) 3.804 4.214 ( 0.539 -0.699 1.156) 1.454 4.253 ( -3.648 -1.717 -1.069) 4.172 4.982 ( 6.763 2.394 4.182) 8.305 5.079 ( 7.897 -0.014 2.666) 8.334 5.314 ( 2.350 -1.902 9.038) 9.530 5.416 ( 5.229 -1.092 2.827) 6.044 ======================= Grid point 209 (82/129) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -0.000 1.480 13.083) 13.166 0.930 ( -0.000 1.984 4.871) 5.259 0.961 ( -0.000 7.791 -4.288) 8.893 1.114 ( -0.000 8.082 -0.558) 8.101 1.170 ( -0.000 1.168 1.605) 1.985 1.318 ( 0.000 -8.405 2.296) 8.713 1.363 ( -0.000 2.664 5.516) 6.126 1.424 ( -0.000 0.024 -1.453) 1.453 1.487 ( -0.000 0.586 -2.075) 2.157 1.605 ( 0.000 -0.869 -1.035) 1.351 1.965 ( 0.000 -1.769 13.233) 13.351 2.060 ( 0.000 -2.455 16.358) 16.541 2.216 ( 0.000 -2.672 4.483) 5.219 2.453 ( 0.000 -0.931 -10.124) 10.167 2.478 ( 0.000 -2.946 -5.502) 6.241 2.788 ( 0.000 -2.315 -2.391) 3.328 2.834 ( -0.000 1.994 0.528) 2.063 3.011 ( 0.000 -0.975 4.293) 4.403 3.191 ( 0.000 -1.045 -2.703) 2.898 3.355 ( -0.000 4.747 -17.138) 17.784 3.549 ( -0.000 0.595 1.135) 1.282 3.654 ( 0.000 -2.037 -7.222) 7.504 3.738 ( -0.000 0.055 0.912) 0.914 3.751 ( 0.000 -0.165 0.383) 0.417 3.781 ( -0.000 0.075 -1.027) 1.029 3.950 ( -0.000 1.786 -5.590) 5.868 4.020 ( -0.000 0.436 0.386) 0.583 4.040 ( 0.000 -0.011 -0.337) 0.337 4.115 ( 0.000 -1.458 2.831) 3.184 4.180 ( 0.000 -2.354 0.401) 2.388 4.225 ( 0.000 -0.437 0.505) 0.667 4.232 ( 0.000 -0.470 0.114) 0.484 5.032 ( -0.000 3.159 4.755) 5.709 5.149 ( -0.000 0.694 2.082) 2.195 5.355 ( 0.000 -2.781 10.290) 10.659 5.485 ( 0.000 -2.710 1.881) 3.299 ======================= Grid point 218 (83/129) ======================= q-point: (-0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 0.104 -0.000 -3.281) 3.283 1.040 ( -12.380 0.000 10.375) 16.153 1.077 ( -7.388 0.000 0.810) 7.432 1.088 ( -6.829 0.000 -6.363) 9.334 1.311 ( -1.887 0.000 5.486) 5.801 1.319 ( 5.785 -0.000 7.436) 9.421 1.540 ( -0.066 0.000 -0.208) 0.218 1.541 ( -3.106 0.000 -0.266) 3.117 1.721 ( -24.565 0.000 6.199) 25.335 1.944 ( -9.428 0.000 -1.425) 9.535 2.012 ( -1.704 0.000 21.216) 21.284 2.177 ( -13.874 0.000 -6.502) 15.322 2.255 ( 4.310 -0.000 -8.031) 9.114 2.504 ( -11.220 0.000 4.979) 12.274 2.662 ( 5.849 -0.000 8.158) 10.038 2.731 ( -7.178 0.000 -3.127) 7.829 2.855 ( -3.430 0.000 -3.187) 4.682 3.185 ( -4.945 0.000 1.120) 5.071 3.281 ( -1.298 0.000 -6.109) 6.245 3.331 ( 3.729 -0.000 -4.855) 6.122 3.498 ( 1.645 -0.000 -8.833) 8.985 3.600 ( -1.430 0.000 -2.949) 3.277 3.749 ( 0.433 -0.000 -5.550) 5.567 3.779 ( 5.939 -0.000 -2.278) 6.360 3.967 ( -4.406 0.000 1.111) 4.544 4.028 ( -1.088 0.000 -1.552) 1.896 4.097 ( -2.865 0.000 0.381) 2.890 4.110 ( -1.606 0.000 0.997) 1.890 4.145 ( -2.441 0.000 0.344) 2.465 4.185 ( 1.321 -0.000 0.042) 1.322 4.294 ( -9.036 0.000 0.536) 9.052 4.353 ( -11.100 0.000 -2.394) 11.355 4.822 ( 11.518 -0.000 2.620) 11.812 4.855 ( 14.321 -0.000 2.995) 14.631 5.257 ( 2.241 -0.000 6.547) 6.919 5.300 ( 5.660 -0.000 5.030) 7.572 ======================= Grid point 220 (84/129) ======================= q-point: (-0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -10.302 -1.048 11.319) 15.341 1.005 ( 0.937 6.032 -1.136) 6.209 1.041 ( -1.125 -1.574 2.173) 2.910 1.075 ( 4.971 -0.538 -3.403) 6.049 1.258 ( -12.955 -1.559 1.858) 13.180 1.309 ( -1.195 6.918 9.256) 11.617 1.428 ( -0.067 -1.219 2.514) 2.795 1.503 ( -2.404 -3.791 0.461) 4.512 1.509 ( -5.405 -2.198 -1.734) 6.087 1.708 ( -9.858 1.282 -3.675) 10.599 1.990 ( -1.905 1.865 15.035) 15.270 2.020 ( -2.828 -3.032 10.223) 11.032 2.292 ( -7.941 1.783 4.276) 9.193 2.330 ( 2.371 -1.549 -6.881) 7.441 2.581 ( -7.802 0.460 -5.462) 9.535 2.776 ( 6.020 0.348 4.851) 7.739 2.780 ( -3.573 -1.464 -2.936) 4.851 3.078 ( -5.866 -0.075 2.361) 6.324 3.224 ( -3.877 -0.509 -3.538) 5.273 3.396 ( 2.763 1.417 -11.695) 12.100 3.539 ( 2.496 1.397 -5.369) 6.083 3.593 ( 0.701 -1.590 -2.816) 3.309 3.768 ( 1.250 0.495 -3.205) 3.476 3.835 ( -6.995 0.598 0.677) 7.053 3.846 ( -4.400 -0.600 -0.377) 4.456 3.956 ( -2.592 0.134 -5.066) 5.692 4.047 ( -1.815 -0.079 -0.019) 1.817 4.052 ( -1.626 -0.043 -0.335) 1.661 4.118 ( -1.423 -0.570 2.471) 2.908 4.179 ( -3.194 -0.875 0.075) 3.313 4.208 ( 0.727 -0.275 0.976) 1.248 4.240 ( -1.822 -0.505 -0.991) 2.135 5.002 ( 6.955 0.886 4.278) 8.213 5.078 ( 8.213 -0.097 4.452) 9.342 5.299 ( 1.863 -0.688 8.191) 8.428 5.409 ( 5.048 -0.248 2.254) 5.534 ======================= Grid point 221 (85/129) ======================= q-point: (-0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 0.000 -1.661 17.102) 17.182 0.920 ( 0.000 -1.747 6.047) 6.294 1.046 ( -0.000 6.505 0.371) 6.515 1.159 ( 0.000 -2.117 -0.080) 2.118 1.223 ( -0.000 8.820 -3.921) 9.653 1.239 ( 0.000 -4.698 -2.032) 5.118 1.389 ( -0.000 0.635 2.060) 2.155 1.417 ( 0.000 -1.161 -0.312) 1.202 1.492 ( -0.000 0.152 -0.566) 0.586 1.624 ( -0.000 3.205 -0.131) 3.208 1.964 ( -0.000 1.316 12.659) 12.727 2.027 ( 0.000 -3.124 19.233) 19.485 2.189 ( 0.000 -1.793 4.288) 4.648 2.437 ( 0.000 -1.704 -9.976) 10.121 2.448 ( 0.000 -1.959 -5.527) 5.864 2.756 ( 0.000 -2.468 -2.845) 3.766 2.852 ( -0.000 1.024 1.592) 1.893 3.002 ( 0.000 -0.553 4.280) 4.316 3.182 ( 0.000 -0.600 -2.683) 2.749 3.407 ( -0.000 3.844 -15.847) 16.306 3.562 ( -0.000 1.652 -0.027) 1.653 3.626 ( 0.000 -2.865 -5.168) 5.909 3.738 ( -0.000 0.032 0.928) 0.928 3.749 ( 0.000 -0.071 0.474) 0.479 3.783 ( -0.000 0.212 -1.914) 1.926 3.963 ( -0.000 0.622 -5.981) 6.013 4.024 ( -0.000 0.270 0.299) 0.403 4.040 ( 0.000 -0.033 -0.277) 0.279 4.105 ( 0.000 -0.457 2.214) 2.261 4.157 ( 0.000 -1.493 0.338) 1.531 4.219 ( 0.000 -0.525 0.751) 0.917 4.230 ( 0.000 -0.031 -0.382) 0.384 5.061 ( -0.000 1.854 5.041) 5.371 5.155 ( -0.000 0.290 4.732) 4.741 5.327 ( 0.000 -1.878 9.237) 9.426 5.466 ( 0.000 -0.828 0.776) 1.135 ======================= Grid point 233 (86/129) ======================= q-point: ( 0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -0.000 0.000 18.858) 18.858 0.909 ( -0.000 0.000 6.648) 6.648 1.093 ( 0.000 -0.000 -0.119) 0.119 1.136 ( -0.000 0.000 6.872) 6.872 1.214 ( 0.000 -0.000 -8.439) 8.439 1.281 ( -0.000 0.000 -7.764) 7.764 1.388 ( -0.000 0.000 1.221) 1.221 1.406 ( 0.000 -0.000 2.378) 2.378 1.492 ( -0.000 0.000 0.277) 0.277 1.647 ( -0.000 0.000 -1.257) 1.257 1.981 ( -0.000 0.000 8.817) 8.817 2.001 ( 0.000 -0.000 24.119) 24.119 2.178 ( -0.000 0.000 4.182) 4.182 2.425 ( 0.000 -0.000 -9.283) 9.283 2.437 ( 0.000 -0.000 -5.553) 5.553 2.741 ( -0.000 0.000 -3.060) 3.060 2.858 ( -0.000 0.000 1.740) 1.740 2.999 ( -0.000 0.000 4.278) 4.278 3.178 ( 0.000 -0.000 -2.673) 2.673 3.431 ( 0.000 -0.000 -15.104) 15.104 3.582 ( 0.000 -0.000 -4.156) 4.156 3.598 ( -0.000 0.000 -0.928) 0.928 3.738 ( -0.000 0.000 0.934) 0.934 3.749 ( 0.000 -0.000 0.506) 0.506 3.785 ( -0.000 0.000 -2.309) 2.309 3.966 ( 0.000 -0.000 -6.118) 6.118 4.026 ( 0.000 -0.000 0.264) 0.264 4.040 ( -0.000 0.000 -0.252) 0.252 4.103 ( -0.000 0.000 1.960) 1.960 4.148 ( 0.000 -0.000 0.283) 0.283 4.215 ( -0.000 0.000 0.796) 0.796 4.230 ( -0.000 0.000 -0.505) 0.505 5.072 ( -0.000 0.000 5.188) 5.188 5.156 ( -0.000 0.000 5.911) 5.911 5.316 ( -0.000 0.000 8.569) 8.569 5.462 ( -0.000 0.000 0.477) 0.477 ======================= Grid point 302 (87/129) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 0.000 0.000 -12.280) 12.280 0.530 ( 0.000 0.000 12.280) 12.280 0.816 ( 0.000 0.000 -16.082) 16.082 0.816 ( 0.000 0.000 16.082) 16.082 1.259 ( 0.000 0.000 -14.419) 14.419 1.259 ( 0.000 0.000 14.419) 14.419 1.459 ( 0.000 0.000 -1.225) 1.225 1.459 ( 0.000 0.000 1.225) 1.225 1.860 ( 0.000 0.000 -4.315) 4.315 1.860 ( 0.000 0.000 4.315) 4.315 2.234 ( 0.000 0.000 -2.921) 2.921 2.234 ( 0.000 0.000 2.921) 2.921 2.421 ( 0.000 0.000 -6.602) 6.602 2.421 ( 0.000 0.000 6.602) 6.602 2.530 ( 0.000 0.000 -19.787) 19.787 2.530 ( 0.000 0.000 19.787) 19.787 2.785 ( 0.000 0.000 -9.256) 9.256 2.785 ( 0.000 0.000 9.256) 9.256 3.151 ( 0.000 0.000 -4.286) 4.286 3.151 ( 0.000 0.000 4.286) 4.286 3.607 ( 0.000 0.000 -1.076) 1.076 3.607 ( 0.000 0.000 1.076) 1.076 3.754 ( 0.000 0.000 -0.625) 0.625 3.754 ( 0.000 0.000 0.625) 0.625 3.776 ( 0.000 0.000 -1.173) 1.173 3.776 ( 0.000 0.000 1.173) 1.173 4.023 ( 0.000 0.000 -0.889) 0.889 4.023 ( 0.000 0.000 0.889) 0.889 4.237 ( 0.000 0.000 -0.269) 0.269 4.237 ( 0.000 0.000 0.269) 0.269 4.266 ( 0.000 0.000 -0.021) 0.021 4.266 ( 0.000 0.000 0.021) 0.021 5.013 ( 0.000 0.000 -3.103) 3.103 5.013 ( 0.000 0.000 3.103) 3.103 5.668 ( 0.000 0.000 -10.313) 10.313 5.668 ( 0.000 0.000 10.313) 10.313 ======================= Grid point 304 (88/129) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 9.967 -1.274 -3.163) 10.534 0.618 ( 9.967 -1.274 3.163) 10.534 0.927 ( 8.747 -1.806 -5.253) 10.362 0.927 ( 8.747 -1.806 5.253) 10.362 1.343 ( 6.689 0.137 -8.282) 10.647 1.343 ( 6.689 0.137 8.282) 10.647 1.468 ( 1.823 -0.483 -4.809) 5.165 1.468 ( 1.823 -0.483 4.809) 5.165 1.873 ( 3.263 3.635 -5.048) 7.024 1.873 ( 3.263 3.635 5.048) 7.024 2.225 ( -2.843 0.999 -1.088) 3.204 2.225 ( -2.843 0.999 1.088) 3.204 2.359 ( -0.293 -2.254 -2.221) 3.178 2.359 ( -0.293 -2.254 2.221) 3.178 2.627 ( 4.202 -1.161 -25.654) 26.022 2.627 ( 4.202 -1.161 25.654) 26.022 2.786 ( 1.625 0.443 -4.055) 4.391 2.786 ( 1.625 0.443 4.055) 4.391 3.168 ( 1.892 0.081 -3.882) 4.319 3.168 ( 1.892 0.081 3.882) 4.319 3.552 ( -4.442 0.047 -2.021) 4.880 3.552 ( -4.442 0.047 2.021) 4.880 3.739 ( 0.274 -0.267 -0.316) 0.496 3.739 ( 0.274 -0.267 0.316) 0.496 3.904 ( 7.981 0.144 -3.273) 8.627 3.904 ( 7.981 0.144 3.273) 8.627 4.030 ( 0.979 -0.175 -0.493) 1.110 4.030 ( 0.979 -0.175 0.493) 1.110 4.234 ( -0.848 0.236 -0.695) 1.122 4.234 ( -0.848 0.236 0.695) 1.122 4.335 ( 7.684 0.900 -2.449) 8.115 4.335 ( 7.684 0.900 2.449) 8.115 4.951 ( -6.629 -0.830 -2.719) 7.213 4.951 ( -6.629 -0.830 2.719) 7.213 5.597 ( -6.040 1.368 -7.343) 9.606 5.597 ( -6.040 1.368 7.343) 9.606 ======================= Grid point 306 (89/129) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 16.001 -0.677 -3.165) 16.325 0.890 ( 16.001 -0.677 3.165) 16.325 1.129 ( 12.009 -0.482 -2.625) 12.302 1.129 ( 12.009 -0.482 2.625) 12.302 1.393 ( 1.553 4.001 -1.484) 4.541 1.393 ( 1.553 4.001 1.484) 4.541 1.581 ( 5.185 -3.387 -3.769) 7.250 1.581 ( 5.185 -3.387 3.769) 7.250 1.940 ( 3.015 1.640 -4.867) 5.955 1.940 ( 3.015 1.640 4.867) 5.955 2.160 ( 0.629 -0.555 -0.643) 1.057 2.160 ( 0.629 -0.555 0.643) 1.057 2.468 ( 8.818 -0.967 -1.234) 8.956 2.468 ( 8.818 -0.967 1.234) 8.956 2.647 ( -1.097 -0.137 -26.571) 26.594 2.647 ( -1.097 -0.137 26.571) 26.594 2.847 ( 3.086 0.357 -7.390) 8.017 2.847 ( 3.086 0.357 7.390) 8.017 3.226 ( 3.964 -0.403 -2.374) 4.638 3.226 ( 3.964 -0.403 2.374) 4.638 3.462 ( -4.905 -1.221 -2.933) 5.844 3.462 ( -4.905 -1.221 2.933) 5.844 3.749 ( 0.672 0.532 -1.328) 1.580 3.749 ( 0.672 0.532 1.328) 1.580 3.996 ( 1.637 0.213 -2.059) 2.639 3.996 ( 1.637 0.213 2.059) 2.639 4.083 ( 4.241 -0.282 -0.650) 4.300 4.083 ( 4.241 -0.282 0.650) 4.300 4.207 ( -1.552 0.472 -1.283) 2.068 4.207 ( -1.552 0.472 1.283) 2.068 4.499 ( 8.495 2.103 -4.546) 9.862 4.499 ( 8.495 2.103 4.546) 9.862 4.790 ( -9.624 -1.229 -1.558) 9.827 4.790 ( -9.624 -1.229 1.558) 9.827 5.467 ( -5.915 1.795 -3.509) 7.108 5.467 ( -5.915 1.795 3.509) 7.108 ======================= Grid point 308 (90/129) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 12.268 -0.450 -1.445) 12.361 1.171 ( 12.268 -0.450 1.445) 12.361 1.388 ( 12.193 2.531 -3.156) 12.846 1.388 ( 12.193 2.531 3.156) 12.846 1.433 ( 7.751 2.247 -2.759) 8.529 1.433 ( 7.751 2.247 2.759) 8.529 1.630 ( -0.204 -0.100 -0.670) 0.708 1.630 ( -0.204 -0.100 0.670) 0.708 1.898 ( -4.648 -1.043 -3.919) 6.168 1.898 ( -4.648 -1.043 3.919) 6.168 2.299 ( 7.284 -3.005 -4.685) 9.167 2.299 ( 7.284 -3.005 4.685) 9.167 2.589 ( 0.920 1.075 -18.111) 18.166 2.589 ( 0.920 1.075 18.111) 18.166 2.689 ( 7.187 -1.509 -2.638) 7.803 2.689 ( 7.187 -1.509 2.638) 7.803 2.884 ( 3.299 1.627 -16.552) 16.956 2.884 ( 3.299 1.627 16.552) 16.956 3.290 ( 1.218 -0.127 -1.536) 1.964 3.290 ( 1.218 -0.127 1.536) 1.964 3.405 ( -1.397 -2.191 -3.366) 4.253 3.405 ( -1.397 -2.191 3.366) 4.253 3.757 ( 0.729 0.933 -3.015) 3.239 3.757 ( 0.729 0.933 3.015) 3.239 4.003 ( -0.479 -0.274 -0.348) 0.652 4.003 ( -0.479 -0.274 0.348) 0.652 4.148 ( 1.358 0.271 -0.569) 1.498 4.148 ( 1.358 0.271 0.569) 1.498 4.183 ( 0.205 0.399 -0.547) 0.707 4.183 ( 0.205 0.399 0.547) 0.707 4.499 ( -8.485 -0.058 -0.974) 8.541 4.499 ( -8.485 -0.058 0.974) 8.541 4.731 ( 4.635 1.673 -5.872) 7.666 4.731 ( 4.635 1.673 5.872) 7.666 5.361 ( -4.109 1.797 -1.629) 4.771 5.361 ( -4.109 1.797 1.629) 4.771 ======================= Grid point 310 (91/129) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 5.557 1.292 -2.253) 6.134 1.340 ( 5.557 1.292 2.253) 6.134 1.498 ( 3.819 -0.332 -2.187) 4.414 1.498 ( 3.819 -0.332 2.187) 4.414 1.586 ( 1.431 3.598 -2.317) 4.513 1.586 ( 1.431 3.598 2.317) 4.513 1.680 ( 7.499 1.279 -2.520) 8.014 1.680 ( 7.499 1.279 2.520) 8.014 1.892 ( 6.547 -2.124 -3.265) 7.618 1.892 ( 6.547 -2.124 3.265) 7.618 2.305 ( -6.070 -0.535 -5.888) 8.473 2.305 ( -6.070 -0.535 5.888) 8.473 2.647 ( 3.946 -1.019 -18.700) 19.139 2.647 ( 3.946 -1.019 18.700) 19.139 2.726 ( -4.358 -3.016 -7.031) 8.804 2.726 ( -4.358 -3.016 7.031) 8.804 3.049 ( 13.318 3.192 -8.557) 16.149 3.049 ( 13.318 3.192 8.557) 16.149 3.254 ( -4.466 0.782 -1.036) 4.650 3.254 ( -4.466 0.782 1.036) 4.650 3.441 ( 4.242 -2.011 -3.293) 5.734 3.441 ( 4.242 -2.011 3.293) 5.734 3.774 ( 0.923 -0.419 -2.803) 2.980 3.774 ( 0.923 -0.419 2.803) 2.980 3.989 ( -0.986 -0.426 -0.419) 1.153 3.989 ( -0.986 -0.426 0.419) 1.153 4.138 ( -0.731 1.003 -1.654) 2.068 4.138 ( -0.731 1.003 1.654) 2.068 4.201 ( 0.557 0.030 -1.805) 1.890 4.201 ( 0.557 0.030 1.805) 1.890 4.333 ( -7.464 -0.151 -0.186) 7.468 4.333 ( -7.464 -0.151 0.186) 7.468 4.812 ( 3.923 2.119 -4.488) 6.326 4.812 ( 3.923 2.119 4.488) 6.326 5.288 ( -2.631 1.515 -0.859) 3.155 5.288 ( -2.631 1.515 0.859) 3.155 ======================= Grid point 312 (92/129) ======================= q-point: ( 0.42 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 0.710 0.241 -2.853) 2.950 1.390 ( 0.710 0.241 2.853) 2.950 1.515 ( -0.147 1.891 -3.555) 4.029 1.515 ( -0.147 1.891 3.555) 4.029 1.571 ( 0.405 2.283 -1.410) 2.714 1.571 ( 0.405 2.283 1.410) 2.714 1.806 ( 3.242 -2.774 -0.739) 4.331 1.806 ( 3.242 -2.774 0.739) 4.331 2.087 ( 9.167 2.127 -4.464) 10.416 2.087 ( 9.167 2.127 4.464) 10.416 2.227 ( 1.800 -0.747 -4.625) 5.018 2.227 ( 1.800 -0.747 4.625) 5.018 2.592 ( -9.484 -2.972 -3.059) 10.399 2.592 ( -9.484 -2.972 3.059) 10.399 2.715 ( 1.662 -0.268 -25.498) 25.553 2.715 ( 1.662 -0.268 25.498) 25.553 3.065 ( -7.852 1.887 -1.613) 8.235 3.065 ( -7.852 1.887 1.613) 8.235 3.344 ( 13.006 2.245 -2.350) 13.406 3.344 ( 13.006 2.245 2.350) 13.406 3.561 ( 5.128 -1.950 -2.997) 6.251 3.561 ( 5.128 -1.950 2.997) 6.251 3.765 ( -2.757 -1.795 -0.657) 3.355 3.765 ( -2.757 -1.795 0.657) 3.355 3.988 ( 0.909 0.044 -0.454) 1.017 3.988 ( 0.909 0.044 0.454) 1.017 4.114 ( -1.272 1.007 -1.447) 2.174 4.114 ( -1.272 1.007 1.447) 2.174 4.190 ( -1.914 -0.452 -2.679) 3.323 4.190 ( -1.914 -0.452 2.679) 3.323 4.239 ( -2.015 0.595 -0.857) 2.269 4.239 ( -2.015 0.595 0.857) 2.269 4.851 ( 1.322 1.267 -3.072) 3.577 4.851 ( 1.322 1.267 3.072) 3.577 5.244 ( -1.303 0.898 -0.585) 1.687 5.244 ( -1.303 0.898 0.585) 1.687 ======================= Grid point 314 (93/129) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 0.000 -0.000 -0.800) 0.800 1.388 ( 0.000 -0.000 0.800) 0.800 1.511 ( 0.000 -0.000 -3.616) 3.616 1.511 ( 0.000 -0.000 3.616) 3.616 1.576 ( 0.000 -0.000 -0.695) 0.695 1.576 ( 0.000 -0.000 0.695) 0.695 1.816 ( 0.000 -0.000 -4.439) 4.439 1.816 ( 0.000 -0.000 4.439) 4.439 2.178 ( -0.000 0.000 -4.508) 4.508 2.178 ( 0.000 -0.000 4.508) 4.508 2.324 ( -0.000 -0.000 -1.015) 1.015 2.324 ( 0.000 -0.000 1.015) 1.015 2.455 ( 0.000 -0.000 -1.463) 1.463 2.455 ( 0.000 -0.000 1.463) 1.463 2.734 ( 0.000 -0.000 -27.591) 27.591 2.734 ( 0.000 -0.000 27.591) 27.591 2.961 ( 0.000 -0.000 -3.240) 3.240 2.961 ( 0.000 -0.000 3.240) 3.240 3.521 ( 0.000 -0.000 -0.661) 0.661 3.521 ( 0.000 0.000 0.661) 0.661 3.574 ( 0.000 -0.000 -0.695) 0.695 3.574 ( -0.000 -0.000 0.695) 0.695 3.741 ( 0.000 -0.000 -1.134) 1.134 3.741 ( 0.000 -0.000 1.134) 1.134 4.002 ( 0.000 -0.000 -0.318) 0.318 4.002 ( 0.000 -0.000 0.318) 0.318 4.093 ( 0.000 -0.000 -1.658) 1.658 4.093 ( 0.000 -0.000 1.658) 1.658 4.165 ( 0.000 -0.000 -3.287) 3.287 4.165 ( -0.000 -0.000 3.287) 3.287 4.225 ( 0.000 -0.000 -1.184) 1.184 4.225 ( 0.000 -0.000 1.184) 1.184 4.858 ( 0.000 -0.000 -2.546) 2.546 4.858 ( 0.000 -0.000 2.546) 2.546 5.229 ( 0.000 -0.000 -0.542) 0.542 5.229 ( 0.000 -0.000 0.542) 0.542 ======================= Grid point 330 (94/129) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 16.074 -0.000 -2.234) 16.228 0.886 ( 16.074 -0.000 2.234) 16.228 1.127 ( 13.175 -0.000 -2.759) 13.461 1.127 ( 13.175 -0.000 2.759) 13.461 1.420 ( 0.999 -0.000 -1.138) 1.514 1.420 ( 0.999 -0.000 1.138) 1.514 1.557 ( 5.913 -0.000 -5.114) 7.818 1.557 ( 5.913 -0.000 5.114) 7.818 1.950 ( 2.326 -0.000 -3.523) 4.222 1.950 ( 2.326 -0.000 3.523) 4.222 2.156 ( -0.675 0.000 -0.342) 0.756 2.156 ( -0.675 0.000 0.342) 0.756 2.462 ( 9.770 -0.000 -1.558) 9.893 2.462 ( 9.770 -0.000 1.558) 9.893 2.647 ( -0.996 0.000 -27.814) 27.832 2.647 ( -0.996 0.000 27.814) 27.832 2.849 ( 3.324 -0.000 -7.648) 8.339 2.849 ( 3.324 -0.000 7.648) 8.339 3.223 ( 3.921 -0.000 -2.361) 4.577 3.223 ( 3.921 -0.000 2.361) 4.577 3.454 ( -5.240 0.000 -2.917) 5.997 3.454 ( -5.240 0.000 2.917) 5.997 3.753 ( 0.899 -0.000 -1.221) 1.516 3.753 ( 0.899 -0.000 1.221) 1.516 3.998 ( 1.455 -0.000 -2.185) 2.625 3.998 ( 1.455 -0.000 2.185) 2.625 4.081 ( 4.374 -0.000 -0.632) 4.419 4.081 ( 4.374 -0.000 0.632) 4.419 4.210 ( -1.548 0.000 -1.280) 2.008 4.210 ( -1.548 0.000 1.280) 2.008 4.512 ( 8.373 -0.000 -4.504) 9.507 4.512 ( 8.373 -0.000 4.504) 9.507 4.783 ( -9.374 0.000 -0.299) 9.379 4.783 ( -9.374 0.000 0.299) 9.379 5.478 ( -6.102 0.000 -3.946) 7.267 5.478 ( -6.102 0.000 3.946) 7.267 ======================= Grid point 332 (95/129) ======================= q-point: ( 0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 12.753 -0.315 -0.891) 12.788 1.165 ( 12.753 -0.315 0.891) 12.788 1.407 ( 9.701 0.809 -1.267) 9.816 1.407 ( 9.701 0.809 1.267) 9.816 1.457 ( 9.381 1.481 -1.050) 9.555 1.457 ( 9.381 1.481 1.050) 9.555 1.623 ( 1.561 -0.603 -0.353) 1.711 1.623 ( 1.561 -0.603 0.353) 1.711 1.893 ( -5.868 -0.043 -4.244) 7.242 1.893 ( -5.868 -0.043 4.244) 7.242 2.273 ( 7.782 -1.324 -6.030) 9.934 2.273 ( 7.782 -1.324 6.030) 9.934 2.601 ( 0.115 0.782 -20.993) 21.008 2.601 ( 0.115 0.782 20.993) 21.008 2.674 ( 6.878 -0.937 -1.525) 7.107 2.674 ( 6.878 -0.937 1.525) 7.107 2.898 ( 3.993 0.721 -17.628) 18.089 2.898 ( 3.993 0.721 17.628) 18.089 3.289 ( 1.384 -0.043 -1.311) 1.907 3.289 ( 1.384 -0.043 1.311) 1.907 3.386 ( -1.040 -0.911 -2.969) 3.275 3.386 ( -1.040 -0.911 2.969) 3.275 3.764 ( 0.412 0.353 -3.372) 3.415 3.764 ( 0.412 0.353 3.372) 3.415 4.001 ( -0.625 -0.092 -0.388) 0.741 4.001 ( -0.625 -0.092 0.388) 0.741 4.150 ( 1.840 0.077 -0.162) 1.849 4.150 ( 1.840 0.077 0.162) 1.849 4.186 ( -0.152 0.173 -0.621) 0.663 4.186 ( -0.152 0.173 0.621) 0.663 4.499 ( -9.098 -0.032 -1.087) 9.162 4.499 ( -9.098 -0.032 1.087) 9.162 4.744 ( 5.283 0.575 -6.442) 8.351 4.744 ( 5.283 0.575 6.442) 8.351 5.376 ( -4.339 0.704 -1.953) 4.810 5.376 ( -4.339 0.704 1.953) 4.810 ======================= Grid point 334 (96/129) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 6.428 1.262 -1.841) 6.804 1.355 ( 6.428 1.262 1.841) 6.804 1.478 ( 2.730 -2.140 -1.855) 3.933 1.478 ( 2.730 -2.140 1.855) 3.933 1.623 ( 2.428 1.920 -1.663) 3.514 1.623 ( 2.428 1.920 1.663) 3.514 1.698 ( 3.073 1.895 -0.445) 3.638 1.698 ( 3.073 1.895 0.445) 3.638 1.879 ( 10.228 -0.430 -4.513) 11.188 1.879 ( 10.228 -0.430 4.513) 11.188 2.301 ( -5.036 -0.238 -5.035) 7.125 2.301 ( -5.036 -0.238 5.035) 7.125 2.638 ( 3.099 -0.595 -15.372) 15.693 2.638 ( 3.099 -0.595 15.372) 15.693 2.696 ( -4.265 -2.096 -11.049) 12.028 2.696 ( -4.265 -2.096 11.049) 12.028 3.076 ( 13.118 1.497 -10.929) 17.139 3.076 ( 13.118 1.497 10.929) 17.139 3.261 ( -3.790 0.502 -0.973) 3.945 3.261 ( -3.790 0.502 0.973) 3.945 3.424 ( 4.279 -0.978 -2.242) 4.929 3.424 ( 4.279 -0.978 2.242) 4.929 3.770 ( 0.077 -0.277 -3.441) 3.453 3.770 ( 0.077 -0.277 3.441) 3.453 3.985 ( -0.861 -0.247 -0.365) 0.967 3.985 ( -0.861 -0.247 0.365) 0.967 4.147 ( -0.704 0.549 -1.556) 1.794 4.147 ( -0.704 0.549 1.556) 1.794 4.201 ( 0.427 -0.009 -1.743) 1.794 4.201 ( 0.427 -0.009 1.743) 1.794 4.333 ( -7.103 -0.019 -0.101) 7.104 4.333 ( -7.103 -0.019 0.101) 7.104 4.831 ( 3.527 1.126 -4.901) 6.142 4.831 ( 3.527 1.126 4.901) 6.142 5.303 ( -2.942 0.940 -0.957) 3.233 5.303 ( -2.942 0.940 0.957) 3.233 ======================= Grid point 336 (97/129) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -0.599 0.647 -2.556) 2.703 1.396 ( -0.599 0.647 2.556) 2.703 1.516 ( 0.742 -0.536 -2.627) 2.782 1.516 ( 0.742 -0.536 2.627) 2.782 1.610 ( -0.082 2.873 -1.700) 3.339 1.610 ( -0.082 2.873 1.700) 3.339 1.782 ( 4.437 -0.770 -0.571) 4.540 1.782 ( 4.437 -0.770 0.571) 4.540 2.099 ( 6.013 -0.282 -2.920) 6.691 2.099 ( 6.013 -0.282 2.920) 6.691 2.232 ( 4.102 1.376 -3.909) 5.831 2.232 ( 4.102 1.376 3.909) 5.831 2.554 ( -9.171 -3.370 -0.304) 9.776 2.554 ( -9.171 -3.370 0.304) 9.776 2.712 ( 2.046 -0.204 -26.581) 26.660 2.712 ( 2.046 -0.204 26.581) 26.660 3.085 ( -8.406 1.475 -0.615) 8.557 3.085 ( -8.406 1.475 0.615) 8.557 3.367 ( 12.999 1.746 -3.845) 13.668 3.367 ( 12.999 1.746 3.845) 13.668 3.543 ( 5.722 -1.238 -2.534) 6.379 3.543 ( 5.722 -1.238 2.534) 6.379 3.746 ( -3.203 -1.470 -0.498) 3.560 3.746 ( -3.203 -1.470 0.498) 3.560 3.987 ( 1.096 -0.050 -0.388) 1.164 3.987 ( 1.096 -0.050 0.388) 1.164 4.124 ( -1.417 0.760 -1.319) 2.080 4.124 ( -1.417 0.760 1.319) 2.080 4.186 ( -1.971 -0.341 -2.586) 3.269 4.186 ( -1.971 -0.341 2.586) 3.269 4.245 ( -2.041 0.426 -0.684) 2.194 4.245 ( -2.041 0.426 0.684) 2.194 4.863 ( 0.665 0.858 -3.311) 3.484 4.863 ( 0.665 0.858 3.311) 3.484 5.253 ( -1.741 0.715 -0.587) 1.971 5.253 ( -1.741 0.715 0.587) 1.971 ======================= Grid point 338 (98/129) ======================= q-point: ( 0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -0.133 -1.172 -2.364) 2.642 1.380 ( -0.133 -1.172 2.364) 2.642 1.514 ( -1.569 0.468 -4.407) 4.701 1.514 ( -1.569 0.468 4.407) 4.701 1.595 ( -0.637 2.948 -0.506) 3.059 1.595 ( -0.637 2.948 0.506) 3.059 1.818 ( 1.812 0.312 -4.266) 4.646 1.818 ( 1.812 0.312 4.266) 4.646 2.145 ( -2.360 -4.703 -4.992) 7.253 2.145 ( -2.360 -4.703 4.992) 7.253 2.348 ( -0.155 3.175 -1.316) 3.441 2.348 ( -0.155 3.175 1.316) 3.441 2.446 ( 2.975 -1.313 -2.569) 4.144 2.446 ( 2.975 -1.313 2.569) 4.144 2.733 ( -0.074 -0.068 -27.648) 27.648 2.733 ( -0.074 -0.068 27.648) 27.648 2.965 ( -0.911 0.690 -3.015) 3.224 2.965 ( -0.911 0.690 3.015) 3.224 3.518 ( -5.288 -0.341 -0.684) 5.343 3.518 ( -5.288 -0.341 0.684) 5.343 3.577 ( 4.256 0.433 -1.041) 4.403 3.577 ( 4.256 0.433 1.041) 4.403 3.739 ( 2.321 -0.291 -1.221) 2.639 3.739 ( 2.321 -0.291 1.221) 2.639 4.002 ( -0.321 -0.058 -0.330) 0.464 4.002 ( -0.321 -0.058 0.330) 0.464 4.095 ( -0.655 0.365 -1.606) 1.773 4.095 ( -0.655 0.365 1.606) 1.773 4.164 ( 0.331 -0.132 -3.285) 3.304 4.164 ( 0.331 -0.132 3.285) 3.304 4.224 ( -0.503 -0.085 -1.196) 1.301 4.224 ( -0.503 -0.085 1.196) 1.301 4.857 ( -0.782 -0.059 -2.545) 2.663 4.857 ( -0.782 -0.059 2.545) 2.663 5.229 ( -0.528 0.059 -0.550) 0.765 5.229 ( -0.528 0.059 0.550) 0.765 ======================= Grid point 340 (99/129) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -1.089 0.173 -2.548) 2.776 1.391 ( -1.089 0.173 2.548) 2.776 1.471 ( -1.665 -4.296 -1.988) 5.018 1.471 ( -1.665 -4.296 1.988) 5.018 1.570 ( -0.474 0.996 -1.916) 2.211 1.570 ( -0.474 0.996 1.916) 2.211 1.830 ( -3.899 0.843 -1.349) 4.211 1.830 ( -3.899 0.843 1.349) 4.211 2.065 ( -5.841 -1.030 -4.941) 7.719 2.065 ( -5.841 -1.030 4.941) 7.719 2.245 ( -2.628 2.149 -4.344) 5.513 2.245 ( -2.628 2.149 4.344) 5.513 2.614 ( 9.454 0.628 -6.604) 11.549 2.614 ( 9.454 0.628 6.604) 11.549 2.718 ( -0.968 0.169 -23.228) 23.249 2.718 ( -0.968 0.169 23.228) 23.249 3.046 ( 6.546 -1.299 -2.193) 7.025 3.046 ( 6.546 -1.299 2.193) 7.025 3.319 ( -12.885 -2.030 -2.041) 13.202 3.319 ( -12.885 -2.030 2.041) 13.202 3.585 ( -4.209 2.089 -2.742) 5.441 3.585 ( -4.209 2.089 2.742) 5.441 3.785 ( 2.312 1.667 -0.748) 2.947 3.785 ( 2.312 1.667 0.748) 2.947 3.986 ( -0.655 -0.239 -0.601) 0.920 3.986 ( -0.655 -0.239 0.601) 0.920 4.103 ( 0.905 -0.911 -1.474) 1.955 4.103 ( 0.905 -0.911 1.474) 1.955 4.195 ( 1.700 0.389 -2.649) 3.171 4.195 ( 1.700 0.389 2.649) 3.171 4.232 ( 2.258 -0.586 -1.091) 2.575 4.232 ( 2.258 -0.586 1.091) 2.575 4.835 ( -2.134 -1.378 -2.789) 3.772 4.835 ( -2.134 -1.378 2.789) 3.772 5.234 ( 0.825 -0.808 -0.585) 1.294 5.234 ( 0.825 -0.808 0.585) 1.294 ======================= Grid point 342 (100/129) ======================= q-point: (-0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -5.395 -1.015 -2.574) 6.063 1.327 ( -5.395 -1.015 2.574) 6.063 1.465 ( -4.635 -5.359 -1.120) 7.173 1.465 ( -4.635 -5.359 1.120) 7.173 1.566 ( -0.094 -0.470 -2.482) 2.528 1.566 ( -0.094 -0.470 2.482) 2.528 1.664 ( -11.258 -1.368 -4.846) 12.333 1.664 ( -11.258 -1.368 4.846) 12.333 1.931 ( -3.665 4.691 -1.603) 6.165 1.931 ( -3.665 4.691 1.603) 6.165 2.315 ( 7.031 1.282 -6.465) 9.637 2.315 ( 7.031 1.282 6.465) 9.637 2.659 ( -3.504 0.859 -22.985) 23.267 2.659 ( -3.504 0.859 22.985) 23.267 2.760 ( 3.778 2.623 -4.258) 6.268 2.760 ( 3.778 2.623 4.258) 6.268 3.004 ( -13.222 -4.629 -5.782) 15.155 3.004 ( -13.222 -4.629 5.782) 15.155 3.245 ( 4.680 -0.737 -0.958) 4.833 3.245 ( 4.680 -0.737 0.958) 4.833 3.469 ( -4.319 2.791 -3.825) 6.409 3.469 ( -4.319 2.791 3.825) 6.409 3.779 ( -1.948 0.333 -2.010) 2.818 3.779 ( -1.948 0.333 2.010) 2.818 3.994 ( 1.193 0.482 -0.467) 1.369 3.994 ( 1.193 0.482 0.467) 1.369 4.126 ( 0.805 -1.187 -1.678) 2.207 4.126 ( 0.805 -1.187 1.678) 2.207 4.200 ( -0.666 -0.164 -1.794) 1.921 4.200 ( -0.666 -0.164 1.794) 1.921 4.336 ( 7.940 0.398 -0.552) 7.969 4.336 ( 7.940 0.398 0.552) 7.969 4.784 ( -4.591 -2.736 -3.870) 6.598 4.784 ( -4.591 -2.736 3.870) 6.598 5.270 ( 2.268 -1.575 -0.718) 2.853 5.270 ( 2.268 -1.575 0.718) 2.853 ======================= Grid point 344 (101/129) ======================= q-point: (-0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -11.889 -0.738 -1.308) 11.984 1.170 ( -11.889 -0.738 1.308) 11.984 1.357 ( -10.872 -2.341 -3.837) 11.765 1.357 ( -10.872 -2.341 3.837) 11.765 1.410 ( -8.615 -1.757 -4.708) 9.974 1.410 ( -8.615 -1.757 4.708) 9.974 1.621 ( 1.730 -1.523 -1.927) 3.004 1.621 ( 1.730 -1.523 1.927) 3.004 1.920 ( 2.759 2.774 -3.211) 5.061 1.920 ( 2.759 2.774 3.211) 5.061 2.334 ( -7.009 2.736 -4.148) 8.592 2.334 ( -7.009 2.736 4.148) 8.592 2.581 ( -2.180 -0.148 -17.497) 17.633 2.581 ( -2.180 -0.148 17.497) 17.633 2.704 ( -7.225 1.018 -4.358) 8.499 2.704 ( -7.225 1.018 4.358) 8.499 2.865 ( -1.968 -1.489 -15.226) 15.424 2.865 ( -1.968 -1.489 15.226) 15.424 3.291 ( -0.905 -0.065 -1.652) 1.885 3.291 ( -0.905 -0.065 1.652) 1.885 3.432 ( 1.724 2.559 -3.833) 4.921 3.432 ( 1.724 2.559 3.833) 4.921 3.744 ( -1.274 -1.170 -2.285) 2.866 3.744 ( -1.274 -1.170 2.285) 2.866 4.007 ( 0.264 0.417 -0.300) 0.577 4.007 ( 0.264 0.417 0.300) 0.577 4.143 ( -0.430 -0.471 -1.071) 1.247 4.143 ( -0.430 -0.471 1.071) 1.247 4.178 ( -0.871 -0.393 -0.824) 1.262 4.178 ( -0.871 -0.393 0.824) 1.262 4.500 ( 6.971 -0.013 -0.863) 7.024 4.500 ( 6.971 -0.013 0.863) 7.024 4.707 ( -3.147 -2.514 -4.743) 6.222 4.707 ( -3.147 -2.514 4.743) 6.222 5.338 ( 3.780 -2.162 -1.159) 4.507 5.338 ( 3.780 -2.162 1.159) 4.507 ======================= Grid point 346 (102/129) ======================= q-point: (-0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -15.270 0.963 -5.305) 16.194 0.899 ( -15.270 0.963 5.305) 16.194 1.142 ( -9.279 1.759 -1.967) 9.647 1.142 ( -9.279 1.759 1.967) 9.647 1.343 ( -2.496 -4.200 -2.783) 5.623 1.343 ( -2.496 -4.200 2.783) 5.623 1.617 ( -3.500 2.385 -1.553) 4.511 1.617 ( -3.500 2.385 1.553) 4.511 1.917 ( -5.267 -2.147 -5.621) 7.997 1.917 ( -5.267 -2.147 5.621) 7.997 2.165 ( -3.414 0.277 -0.853) 3.529 2.165 ( -3.414 0.277 0.853) 3.529 2.479 ( -6.930 0.907 -2.818) 7.536 2.479 ( -6.930 0.907 2.818) 7.536 2.654 ( 1.215 1.168 -22.785) 22.847 2.654 ( 1.215 1.168 22.785) 22.847 2.843 ( -2.375 -0.201 -7.981) 8.329 2.843 ( -2.375 -0.201 7.981) 8.329 3.232 ( -4.037 0.532 -2.359) 4.706 3.232 ( -4.037 0.532 2.359) 4.706 3.479 ( 3.993 1.694 -3.036) 5.295 3.479 ( 3.993 1.694 3.036) 5.295 3.742 ( 0.020 -0.781 -1.574) 1.757 3.742 ( 0.020 -0.781 1.574) 1.757 3.994 ( -2.052 -0.205 -1.794) 2.733 3.994 ( -2.052 -0.205 1.794) 2.733 4.087 ( -3.975 0.441 -0.710) 4.062 4.087 ( -3.975 0.441 0.710) 4.062 4.199 ( 1.544 -0.822 -1.275) 2.164 4.199 ( 1.544 -0.822 1.275) 2.164 4.466 ( -8.823 -3.657 -4.322) 10.483 4.466 ( -8.823 -3.657 4.322) 10.483 4.809 ( 10.360 1.901 -2.292) 10.780 4.809 ( 10.360 1.901 2.292) 10.780 5.440 ( 5.461 -2.758 -2.469) 6.597 5.440 ( 5.461 -2.758 2.469) 6.597 ======================= Grid point 348 (103/129) ======================= q-point: (-0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -8.139 3.790 -5.566) 10.563 0.647 ( -8.139 3.790 5.566) 10.563 0.967 ( -7.555 5.059 -4.591) 10.186 0.967 ( -7.555 5.059 4.591) 10.186 1.332 ( -2.482 -2.330 -3.062) 4.578 1.332 ( -2.482 -2.330 3.062) 4.578 1.485 ( -5.039 2.746 -5.971) 8.282 1.485 ( -5.039 2.746 5.971) 8.282 1.804 ( -6.549 -7.717 -4.844) 11.220 1.804 ( -6.549 -7.717 4.844) 11.220 2.206 ( 3.520 -2.040 -3.500) 5.366 2.206 ( 3.520 -2.040 3.500) 5.366 2.392 ( -0.520 2.575 -4.147) 4.909 2.392 ( -0.520 2.575 4.147) 4.909 2.652 ( -1.773 2.906 -29.149) 29.347 2.652 ( -1.773 2.906 29.149) 29.347 2.780 ( -2.528 -0.191 -2.223) 3.372 2.780 ( -2.528 -0.191 2.223) 3.372 3.167 ( -2.335 -0.224 -3.852) 4.510 3.167 ( -2.335 -0.224 3.852) 4.510 3.550 ( 3.598 -0.232 -2.178) 4.212 3.550 ( 3.598 -0.232 2.178) 4.212 3.745 ( 0.298 0.781 -0.989) 1.295 3.745 ( 0.298 0.781 0.989) 1.295 3.901 ( -7.542 -0.364 -2.995) 8.123 3.901 ( -7.542 -0.364 2.995) 8.123 4.034 ( -1.150 0.417 -0.323) 1.265 4.034 ( -1.150 0.417 0.323) 1.265 4.228 ( 0.798 -0.723 -0.867) 1.383 4.228 ( 0.798 -0.723 0.867) 1.383 4.316 ( -7.166 -2.362 -2.111) 7.835 4.316 ( -7.166 -2.362 2.111) 7.835 4.969 ( 6.724 2.256 -3.192) 7.777 4.969 ( 6.724 2.256 3.192) 7.777 5.568 ( 5.550 -3.383 -5.759) 8.684 5.568 ( 5.550 -3.383 5.759) 8.684 ======================= Grid point 350 (104/129) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -0.000 4.789 -10.919) 11.923 0.558 ( -0.000 4.789 10.919) 11.923 0.842 ( -0.000 4.347 -14.700) 15.329 0.842 ( -0.000 4.347 14.700) 15.329 1.277 ( -0.000 2.902 -13.372) 13.683 1.277 ( -0.000 2.902 13.372) 13.683 1.453 ( 0.000 -1.020 -1.611) 1.907 1.453 ( 0.000 -1.020 1.611) 1.907 1.797 ( 0.000 -9.863 -4.490) 10.837 1.797 ( 0.000 -9.863 4.490) 10.837 2.242 ( -0.000 0.584 -2.941) 2.998 2.242 ( -0.000 0.584 2.941) 2.998 2.415 ( 0.000 -0.927 -6.566) 6.631 2.415 ( 0.000 -0.927 6.566) 6.631 2.570 ( -0.000 6.381 -20.848) 21.802 2.570 ( -0.000 6.381 20.848) 21.802 2.775 ( 0.000 -1.578 -8.572) 8.716 2.775 ( 0.000 -1.578 8.572) 8.716 3.147 ( 0.000 -0.620 -4.297) 4.342 3.147 ( 0.000 -0.620 4.297) 4.342 3.600 ( 0.000 -1.140 -1.648) 2.004 3.600 ( 0.000 -1.140 1.648) 2.004 3.754 ( 0.000 -0.033 -0.583) 0.584 3.754 ( 0.000 -0.033 0.583) 0.584 3.786 ( -0.000 1.663 -1.299) 2.110 3.786 ( -0.000 1.663 1.299) 2.110 4.023 ( -0.000 0.134 -0.856) 0.866 4.023 ( -0.000 0.134 0.856) 0.866 4.232 ( 0.000 -0.801 -0.232) 0.834 4.232 ( 0.000 -0.801 0.232) 0.834 4.260 ( 0.000 -0.878 -0.249) 0.913 4.260 ( 0.000 -0.878 0.249) 0.913 5.023 ( -0.000 1.660 -3.348) 3.737 5.023 ( -0.000 1.660 3.348) 3.737 5.650 ( 0.000 -3.083 -9.085) 9.594 5.650 ( 0.000 -3.083 9.085) 9.594 ======================= Grid point 356 (105/129) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 7.047 -0.000 -1.467) 7.198 1.364 ( 7.047 -0.000 1.467) 7.198 1.463 ( 2.382 -0.000 -0.715) 2.487 1.463 ( 2.382 -0.000 0.715) 2.487 1.632 ( 1.777 -0.000 -2.220) 2.843 1.632 ( 1.777 -0.000 2.220) 2.843 1.712 ( 1.960 -0.000 -0.205) 1.971 1.712 ( 1.960 -0.000 0.205) 1.971 1.877 ( 11.753 -0.000 -4.722) 12.666 1.877 ( 11.753 -0.000 4.722) 12.666 2.300 ( -4.523 0.000 -4.627) 6.471 2.300 ( -4.523 0.000 4.627) 6.471 2.635 ( 2.202 -0.000 -14.299) 14.468 2.635 ( 2.202 -0.000 14.299) 14.468 2.683 ( -3.805 0.000 -13.433) 13.961 2.683 ( -3.805 0.000 13.433) 13.961 3.084 ( 12.935 -0.000 -11.910) 17.583 3.084 ( 12.935 -0.000 11.910) 17.583 3.264 ( -3.429 0.000 -0.922) 3.550 3.264 ( -3.429 0.000 0.922) 3.550 3.418 ( 4.339 -0.000 -1.540) 4.604 3.418 ( 4.339 -0.000 1.540) 4.604 3.768 ( -0.258 0.000 -3.687) 3.696 3.768 ( -0.258 0.000 3.687) 3.696 3.983 ( -0.820 0.000 -0.340) 0.888 3.983 ( -0.820 0.000 0.340) 0.888 4.151 ( -0.698 0.000 -1.495) 1.649 4.151 ( -0.698 0.000 1.495) 1.649 4.201 ( 0.368 -0.000 -1.697) 1.736 4.201 ( 0.368 -0.000 1.697) 1.736 4.333 ( -6.967 0.000 -0.190) 6.970 4.333 ( -6.967 0.000 0.190) 6.970 4.837 ( 3.398 -0.000 -5.043) 6.081 4.837 ( 3.398 -0.000 5.043) 6.081 5.308 ( -3.065 0.000 -0.993) 3.222 5.308 ( -3.065 0.000 0.993) 3.222 ======================= Grid point 358 (106/129) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -1.656 0.302 -2.612) 3.107 1.402 ( -1.656 0.302 2.612) 3.107 1.513 ( 1.601 -0.093 -1.869) 2.463 1.513 ( 1.601 -0.093 1.869) 2.463 1.625 ( 0.680 0.206 -0.881) 1.132 1.625 ( 0.680 0.206 0.881) 1.132 1.787 ( 5.055 0.855 -1.646) 5.384 1.787 ( 5.055 0.855 1.646) 5.384 2.090 ( 2.078 -0.744 -1.928) 2.931 2.090 ( 2.078 -0.744 1.928) 2.931 2.247 ( 6.421 0.925 -2.307) 6.885 2.247 ( 6.421 0.925 2.307) 6.885 2.524 ( -8.857 -1.459 -2.252) 9.254 2.524 ( -8.857 -1.459 2.252) 9.254 2.710 ( 2.208 -0.085 -26.763) 26.854 2.710 ( 2.208 -0.085 26.763) 26.854 3.096 ( -8.481 0.531 -0.341) 8.504 3.096 ( -8.481 0.531 0.341) 8.504 3.381 ( 12.972 0.638 -5.248) 14.008 3.381 ( 12.972 0.638 5.248) 14.008 3.534 ( 6.002 -0.374 -1.528) 6.204 3.534 ( 6.002 -0.374 1.528) 6.204 3.733 ( -3.526 -0.590 -0.222) 3.582 3.733 ( -3.526 -0.590 0.222) 3.582 3.987 ( 1.191 -0.031 -0.379) 1.250 3.987 ( 1.191 -0.031 0.379) 1.250 4.130 ( -1.425 0.276 -1.164) 1.860 4.130 ( -1.425 0.276 1.164) 1.860 4.183 ( -1.997 -0.121 -2.453) 3.165 4.183 ( -1.997 -0.121 2.453) 3.165 4.249 ( -2.119 0.152 -0.584) 2.203 4.249 ( -2.119 0.152 0.584) 2.203 4.870 ( 0.304 0.300 -3.443) 3.470 4.870 ( 0.304 0.300 3.443) 3.470 5.259 ( -2.004 0.274 -0.582) 2.105 5.259 ( -2.004 0.274 0.582) 2.105 ======================= Grid point 360 (107/129) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -0.910 -0.929 -2.152) 2.514 1.367 ( -0.910 -0.929 2.152) 2.514 1.519 ( -1.080 0.457 -3.354) 3.554 1.519 ( -1.080 0.457 3.354) 3.554 1.632 ( -1.458 3.036 -1.727) 3.785 1.632 ( -1.458 3.036 1.727) 3.785 1.822 ( 1.669 0.258 -3.410) 3.805 1.822 ( 1.669 0.258 3.410) 3.805 2.092 ( -2.027 -3.919 -5.653) 7.172 2.092 ( -2.027 -3.919 5.653) 7.172 2.379 ( -2.676 1.833 -2.384) 4.025 2.379 ( -2.676 1.833 2.384) 4.025 2.431 ( 6.220 -0.982 -4.137) 7.535 2.431 ( 6.220 -0.982 4.137) 7.535 2.733 ( -0.143 -0.072 -27.765) 27.766 2.733 ( -0.143 -0.072 27.765) 27.766 2.973 ( -1.411 0.656 -2.563) 2.998 2.973 ( -1.411 0.656 2.563) 2.998 3.514 ( -7.963 -0.297 -0.740) 8.003 3.514 ( -7.963 -0.297 0.740) 8.003 3.582 ( 6.088 0.398 -1.537) 6.291 3.582 ( 6.088 0.398 1.537) 6.291 3.735 ( 4.071 -0.299 -1.323) 4.291 3.735 ( 4.071 -0.299 1.323) 4.291 4.001 ( -0.540 -0.055 -0.345) 0.644 4.001 ( -0.540 -0.055 0.345) 0.644 4.100 ( -1.114 0.386 -1.456) 1.873 4.100 ( -1.114 0.386 1.456) 1.873 4.163 ( 0.567 -0.159 -3.276) 3.329 4.163 ( 0.567 -0.159 3.276) 3.329 4.223 ( -0.867 -0.085 -1.213) 1.494 4.223 ( -0.867 -0.085 1.213) 1.494 4.857 ( -1.355 -0.059 -2.542) 2.881 4.857 ( -1.355 -0.059 2.542) 2.881 5.230 ( -0.915 0.058 -0.566) 1.077 5.230 ( -0.915 0.058 0.566) 1.077 ======================= Grid point 362 (108/129) ======================= q-point: (-0.58 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.535 -1.887 -2.500) 3.177 1.383 ( 0.535 -1.887 2.500) 3.177 1.445 ( -5.364 0.064 -2.734) 6.021 1.445 ( -5.364 0.064 2.734) 6.021 1.580 ( -1.588 0.507 -2.369) 2.897 1.580 ( -1.588 0.507 2.369) 2.897 1.820 ( -5.914 -2.086 -1.623) 6.478 1.820 ( -5.914 -2.086 1.623) 6.478 2.071 ( 0.469 1.828 -3.566) 4.034 2.071 ( 0.469 1.828 3.566) 4.034 2.271 ( -3.790 2.286 -3.809) 5.839 2.271 ( -3.790 2.286 3.809) 5.839 2.607 ( 9.230 -1.516 -7.610) 12.059 2.607 ( 9.230 -1.516 7.610) 12.059 2.718 ( -0.573 -0.138 -22.367) 22.374 2.718 ( -0.573 -0.138 22.367) 22.374 3.037 ( 5.028 -0.257 -1.974) 5.408 3.037 ( 5.028 -0.257 1.974) 5.408 3.299 ( -12.625 -1.359 -2.432) 12.928 3.299 ( -12.625 -1.359 2.432) 12.928 3.606 ( -3.197 1.585 -1.967) 4.075 3.606 ( -3.197 1.585 1.967) 4.075 3.801 ( 1.934 1.194 -0.779) 2.402 3.801 ( 1.934 1.194 0.779) 2.402 3.982 ( -0.417 -0.356 -0.754) 0.933 3.982 ( -0.417 -0.356 0.754) 0.933 4.094 ( 0.410 -0.567 -1.410) 1.574 4.094 ( 0.410 -0.567 1.410) 1.574 4.199 ( 1.184 0.199 -2.482) 2.757 4.199 ( 1.184 0.199 2.482) 2.757 4.227 ( 2.909 -0.385 -1.393) 3.248 4.227 ( 2.909 -0.385 1.393) 3.248 4.821 ( -2.886 -1.078 -2.543) 3.995 4.821 ( -2.886 -1.078 2.543) 3.995 5.226 ( 0.433 -0.536 -0.605) 0.917 5.226 ( 0.433 -0.536 0.605) 0.917 ======================= Grid point 364 (109/129) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -6.900 -1.576 -2.387) 7.469 1.314 ( -6.900 -1.576 2.387) 7.469 1.406 ( -2.885 -3.970 -2.730) 5.616 1.406 ( -2.885 -3.970 2.730) 5.616 1.552 ( -2.494 -2.285 -3.103) 4.590 1.552 ( -2.494 -2.285 3.103) 4.590 1.655 ( -10.134 -0.094 -4.553) 11.110 1.655 ( -10.134 -0.094 4.553) 11.110 1.991 ( -3.255 5.268 -0.491) 6.212 1.991 ( -3.255 5.268 0.491) 6.212 2.336 ( 7.888 2.476 -6.541) 10.542 2.336 ( 7.888 2.476 6.541) 10.542 2.666 ( -2.389 0.398 -27.100) 27.208 2.666 ( -2.389 0.398 27.100) 27.208 2.781 ( 3.857 0.881 -3.241) 5.114 2.781 ( 3.857 0.881 3.241) 5.114 2.949 ( -13.591 -4.629 -3.189) 14.707 2.949 ( -13.591 -4.629 3.189) 14.707 3.238 ( 4.308 -0.423 -0.816) 4.405 3.238 ( 4.308 -0.423 0.816) 4.405 3.502 ( -4.426 2.823 -3.641) 6.389 3.502 ( -4.426 2.823 3.641) 6.389 3.781 ( -2.878 0.068 -1.301) 3.159 3.781 ( -2.878 0.068 1.301) 3.159 3.999 ( 1.455 0.401 -0.477) 1.583 3.999 ( 1.455 0.401 0.477) 1.583 4.113 ( 0.940 -1.006 -1.605) 2.115 4.113 ( 0.940 -1.006 1.605) 2.115 4.198 ( -0.709 -0.287 -1.711) 1.874 4.198 ( -0.709 -0.287 1.711) 1.874 4.342 ( 8.434 0.581 -0.915) 8.503 4.342 ( 8.434 0.581 0.915) 8.503 4.752 ( -5.444 -2.652 -3.212) 6.855 4.752 ( -5.444 -2.652 3.212) 6.855 5.254 ( 1.974 -1.218 -0.578) 2.391 5.254 ( 1.974 -1.218 0.578) 2.391 ======================= Grid point 366 (110/129) ======================= q-point: (-0.42 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -11.340 -2.356 -1.135) 11.638 1.152 ( -11.340 -2.356 1.135) 11.638 1.340 ( -7.980 -0.763 -2.280) 8.334 1.340 ( -7.980 -0.763 2.280) 8.334 1.393 ( -9.026 -1.151 -4.780) 10.278 1.393 ( -9.026 -1.151 4.780) 10.278 1.599 ( 1.430 -2.198 -2.644) 3.724 1.599 ( 1.430 -2.198 2.644) 3.724 1.958 ( 0.939 3.586 -2.733) 4.605 1.958 ( 0.939 3.586 2.733) 4.605 2.355 ( -8.541 0.901 -4.388) 9.645 2.355 ( -8.541 0.901 4.388) 9.645 2.588 ( -3.186 1.310 -18.937) 19.248 2.588 ( -3.186 1.310 18.937) 19.248 2.713 ( -5.227 0.719 -5.606) 7.698 2.713 ( -5.227 0.719 5.606) 7.698 2.851 ( -0.844 -1.083 -13.767) 13.836 2.851 ( -0.844 -1.083 13.767) 13.836 3.287 ( -0.530 -0.536 -1.675) 1.837 3.287 ( -0.530 -0.536 1.675) 1.837 3.460 ( 1.558 2.249 -4.251) 5.056 3.460 ( 1.558 2.249 4.251) 5.056 3.731 ( -1.784 -1.008 -1.325) 2.440 3.731 ( -1.784 -1.008 1.325) 2.440 4.012 ( 0.066 0.453 -0.265) 0.529 4.012 ( 0.066 0.453 0.265) 0.529 4.138 ( 0.592 -0.459 -1.392) 1.581 4.138 ( 0.592 -0.459 1.392) 1.581 4.174 ( -1.487 -0.306 -1.200) 1.936 4.174 ( -1.487 -0.306 1.200) 1.936 4.499 ( 4.129 -0.190 -0.965) 4.245 4.499 ( 4.129 -0.190 0.965) 4.245 4.676 ( -0.499 -2.723 -3.221) 4.247 4.676 ( -0.499 -2.723 3.221) 4.247 5.315 ( 3.503 -1.839 -0.730) 4.023 5.315 ( 3.503 -1.839 0.730) 4.023 ======================= Grid point 368 (111/129) ======================= q-point: (-0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -13.052 1.699 -6.465) 14.664 0.914 ( -13.052 1.699 6.465) 14.664 1.160 ( -6.810 0.559 -1.084) 6.919 1.160 ( -6.810 0.559 1.084) 6.919 1.311 ( -3.245 -0.646 -4.506) 5.590 1.311 ( -3.245 -0.646 4.506) 5.590 1.628 ( -1.210 -0.696 -0.972) 1.701 1.628 ( -1.210 -0.696 0.972) 1.701 1.895 ( -9.116 -1.619 -4.564) 10.322 1.895 ( -9.116 -1.619 4.564) 10.322 2.163 ( -5.279 -0.821 -0.626) 5.379 2.163 ( -5.279 -0.821 0.626) 5.379 2.489 ( -5.797 0.942 -6.663) 8.882 2.489 ( -5.797 0.942 6.663) 8.882 2.674 ( 0.679 2.249 -18.135) 18.287 2.674 ( 0.679 2.249 18.135) 18.287 2.843 ( -1.055 0.269 -10.671) 10.727 2.843 ( -1.055 0.269 10.671) 10.727 3.236 ( -4.019 0.252 -2.296) 4.635 3.236 ( -4.019 0.252 2.296) 4.635 3.497 ( 2.794 1.329 -3.322) 4.539 3.497 ( 2.794 1.329 3.322) 4.539 3.733 ( 1.088 -0.567 -1.773) 2.156 3.733 ( 1.088 -0.567 1.773) 2.156 3.992 ( -2.485 -0.023 -1.562) 2.935 3.992 ( -2.485 -0.023 1.562) 2.935 4.093 ( -3.787 0.520 -0.759) 3.898 4.093 ( -3.787 0.520 0.759) 3.898 4.189 ( 1.485 -0.949 -1.231) 2.149 4.189 ( 1.485 -0.949 1.231) 2.149 4.419 ( -9.184 -4.421 -3.592) 10.807 4.419 ( -9.184 -4.421 3.592) 10.807 4.831 ( 11.427 1.948 -2.258) 11.809 4.831 ( 11.427 1.948 2.258) 11.809 5.408 ( 4.936 -2.681 -1.427) 5.795 5.408 ( 4.936 -2.681 1.427) 5.795 ======================= Grid point 370 (112/129) ======================= q-point: (-0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -5.230 5.972 -5.483) 9.648 0.703 ( -5.230 5.972 5.483) 9.648 1.036 ( -5.822 6.620 -3.063) 9.333 1.036 ( -5.822 6.620 3.063) 9.333 1.292 ( 0.500 -4.053 -2.242) 4.659 1.292 ( 0.500 -4.053 2.242) 4.659 1.525 ( -6.841 3.770 -5.213) 9.391 1.525 ( -6.841 3.770 5.213) 9.391 1.712 ( -9.832 -7.958 -4.662) 13.481 1.712 ( -9.832 -7.958 4.662) 13.481 2.181 ( 3.551 -2.307 -5.945) 7.298 2.181 ( 3.551 -2.307 5.945) 7.298 2.408 ( -2.089 0.358 -5.077) 5.502 2.408 ( -2.089 0.358 5.077) 5.502 2.676 ( -0.116 0.498 -29.218) 29.222 2.676 ( -0.116 0.498 29.218) 29.222 2.796 ( -2.201 3.458 -2.947) 5.048 2.796 ( -2.201 3.458 2.947) 5.048 3.163 ( -3.059 -0.328 -3.723) 4.829 3.163 ( -3.059 -0.328 3.723) 4.829 3.547 ( 2.608 -0.364 -2.260) 3.470 3.547 ( 2.608 -0.364 2.260) 3.470 3.756 ( 0.947 1.151 -1.698) 2.260 3.756 ( 0.947 1.151 1.698) 2.260 3.896 ( -7.031 -0.507 -2.634) 7.525 3.896 ( -7.031 -0.507 2.634) 7.525 4.039 ( -1.354 0.446 -0.125) 1.431 4.039 ( -1.354 0.446 0.125) 1.431 4.217 ( 0.465 -1.274 -1.195) 1.807 4.217 ( 0.465 -1.274 1.195) 1.807 4.285 ( -5.968 -2.921 -1.517) 6.815 4.285 ( -5.968 -2.921 1.517) 6.815 5.000 ( 6.997 3.084 -3.409) 8.372 5.000 ( 6.997 3.084 3.409) 8.372 5.525 ( 4.848 -3.950 -3.589) 7.210 5.525 ( 4.848 -3.950 3.589) 7.210 ======================= Grid point 372 (113/129) ======================= q-point: (-0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -0.000 8.253 -7.577) 11.204 0.634 ( -0.000 8.253 7.577) 11.204 0.908 ( -0.000 6.868 -11.091) 13.046 0.908 ( -0.000 6.868 11.091) 13.046 1.316 ( -0.000 3.268 -10.222) 10.732 1.316 ( -0.000 3.268 10.222) 10.732 1.438 ( 0.000 -1.346 -2.100) 2.494 1.438 ( 0.000 -1.346 2.100) 2.494 1.668 ( 0.000 -11.466 -4.286) 12.241 1.668 ( 0.000 -11.466 4.286) 12.241 2.238 ( 0.000 -1.249 -4.974) 5.129 2.238 ( 0.000 -1.249 4.974) 5.129 2.399 ( 0.000 -1.878 -6.479) 6.745 2.399 ( 0.000 -1.878 6.479) 6.745 2.649 ( -0.000 5.622 -26.623) 27.210 2.649 ( -0.000 5.622 26.623) 27.210 2.762 ( -0.000 0.577 -3.591) 3.637 2.762 ( -0.000 0.577 3.591) 3.637 3.137 ( 0.000 -1.061 -4.318) 4.446 3.137 ( 0.000 -1.061 4.318) 4.446 3.585 ( 0.000 -1.227 -2.092) 2.425 3.585 ( 0.000 -1.227 2.092) 2.425 3.753 ( 0.000 -0.031 -0.482) 0.483 3.753 ( 0.000 -0.031 0.482) 0.483 3.808 ( -0.000 1.942 -2.214) 2.945 3.808 ( -0.000 1.942 2.214) 2.945 4.025 ( -0.000 0.221 -0.766) 0.797 4.025 ( -0.000 0.221 0.766) 0.797 4.217 ( 0.000 -1.897 -0.903) 2.101 4.217 ( 0.000 -1.897 0.903) 2.101 4.249 ( 0.000 -0.953 -0.133) 0.962 4.249 ( 0.000 -0.953 0.133) 0.962 5.050 ( -0.000 2.970 -3.647) 4.703 5.050 ( -0.000 2.970 3.647) 4.703 5.604 ( 0.000 -4.586 -6.327) 7.814 5.604 ( 0.000 -4.586 6.327) 7.814 ======================= Grid point 382 (114/129) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -1.304 0.000 -1.544) 2.020 1.361 ( -1.304 0.000 1.544) 2.020 1.522 ( -0.724 0.000 -2.392) 2.499 1.522 ( -0.724 0.000 2.392) 2.499 1.652 ( -1.347 0.000 -2.297) 2.663 1.652 ( -1.347 0.000 2.297) 2.663 1.823 ( 0.536 -0.000 -2.092) 2.160 1.823 ( 0.536 -0.000 2.092) 2.160 2.068 ( -1.134 0.000 -5.808) 5.917 2.068 ( -1.134 0.000 5.808) 5.917 2.388 ( -4.368 0.000 -1.472) 4.610 2.388 ( -4.368 0.000 1.472) 4.610 2.426 ( 7.962 -0.000 -3.564) 8.723 2.426 ( 7.962 -0.000 3.564) 8.723 2.732 ( -0.172 0.000 -27.826) 27.826 2.732 ( -0.172 0.000 27.826) 27.826 2.977 ( -1.540 0.000 -2.336) 2.798 2.977 ( -1.540 0.000 2.336) 2.798 3.513 ( -8.672 0.000 -0.768) 8.706 3.513 ( -8.672 0.000 0.768) 8.706 3.585 ( 6.450 -0.000 -1.746) 6.682 3.585 ( 6.450 -0.000 1.746) 6.682 3.733 ( 4.735 -0.000 -1.339) 4.921 3.733 ( 4.735 -0.000 1.339) 4.921 4.001 ( -0.615 0.000 -0.349) 0.707 4.001 ( -0.615 0.000 0.349) 0.707 4.102 ( -1.277 0.000 -1.342) 1.853 4.102 ( -1.277 0.000 1.342) 1.853 4.162 ( 0.652 -0.000 -3.269) 3.333 4.162 ( 0.652 -0.000 3.269) 3.333 4.223 ( -0.998 0.000 -1.218) 1.574 4.223 ( -0.998 0.000 1.218) 1.574 4.856 ( -1.564 0.000 -2.541) 2.983 4.856 ( -1.564 0.000 2.541) 2.983 5.230 ( -1.057 0.000 -0.573) 1.202 5.230 ( -1.057 0.000 0.573) 1.202 ======================= Grid point 384 (115/129) ======================= q-point: (-0.67 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 0.307 -1.116 -1.629) 1.998 1.362 ( 0.307 -1.116 1.629) 1.998 1.456 ( -6.199 0.974 -1.753) 6.515 1.456 ( -6.199 0.974 1.753) 6.515 1.581 ( -3.385 -0.130 -2.832) 4.415 1.581 ( -3.385 -0.130 2.832) 4.415 1.798 ( -5.857 -1.292 -1.149) 6.107 1.798 ( -5.857 -1.292 1.149) 6.107 2.092 ( 3.752 1.203 -1.543) 4.231 2.092 ( 3.752 1.203 1.543) 4.231 2.292 ( -4.021 1.132 -2.444) 4.840 2.292 ( -4.021 1.132 2.444) 4.840 2.589 ( 8.924 -1.173 -6.787) 11.273 2.589 ( 8.924 -1.173 6.787) 11.273 2.716 ( -0.622 -0.113 -23.105) 23.114 2.716 ( -0.622 -0.113 23.105) 23.114 3.037 ( 4.128 0.083 -1.530) 4.403 3.037 ( 4.128 0.083 1.530) 4.403 3.288 ( -12.403 -0.474 -2.689) 12.700 3.288 ( -12.403 -0.474 2.689) 12.700 3.619 ( -2.512 0.591 -0.989) 2.764 3.619 ( -2.512 0.591 0.989) 2.764 3.811 ( 1.708 0.440 -0.759) 1.920 3.811 ( 1.708 0.440 0.759) 1.920 3.979 ( -0.290 -0.180 -0.822) 0.890 3.979 ( -0.290 -0.180 0.822) 0.890 4.090 ( 0.050 -0.181 -1.333) 1.346 4.090 ( 0.050 -0.181 1.333) 1.346 4.200 ( 0.645 0.041 -2.298) 2.387 4.200 ( 0.645 0.041 2.298) 2.387 4.224 ( 3.578 -0.119 -1.665) 3.948 4.224 ( 3.578 -0.119 1.665) 3.948 4.812 ( -3.343 -0.409 -2.402) 4.137 4.812 ( -3.343 -0.409 2.403) 4.137 5.222 ( 0.216 -0.185 -0.628) 0.689 5.222 ( 0.216 -0.185 0.628) 0.689 ======================= Grid point 386 (116/129) ======================= q-point: (-0.58 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -8.728 -2.113 -1.208) 9.061 1.290 ( -8.728 -2.113 1.208) 9.061 1.382 ( -1.292 -0.521 -4.039) 4.273 1.382 ( -1.292 -0.521 4.039) 4.273 1.521 ( -4.479 -2.525 -3.966) 6.494 1.521 ( -4.479 -2.525 3.966) 6.494 1.658 ( -8.057 0.385 -3.132) 8.653 1.658 ( -8.057 0.385 3.132) 8.653 2.041 ( -3.828 3.200 -1.075) 5.104 2.041 ( -3.828 3.200 1.075) 5.104 2.368 ( 8.529 2.780 -6.244) 10.930 2.368 ( 8.529 2.780 6.244) 10.930 2.668 ( -1.211 -0.067 -30.453) 30.477 2.668 ( -1.211 -0.067 30.453) 30.477 2.778 ( 4.570 -1.161 -3.101) 5.643 2.778 ( 4.570 -1.161 3.101) 5.643 2.908 ( -14.603 -2.282 -3.228) 15.128 2.908 ( -14.603 -2.282 3.228) 15.128 3.235 ( 3.848 -0.123 -0.783) 3.929 3.235 ( 3.848 -0.123 0.783) 3.929 3.529 ( -4.498 1.831 -2.947) 5.681 3.529 ( -4.498 1.831 2.947) 5.681 3.781 ( -3.531 -0.112 -0.706) 3.603 3.781 ( -3.531 -0.112 0.706) 3.603 4.003 ( 1.692 0.222 -0.439) 1.762 4.003 ( 1.692 0.222 0.439) 1.762 4.104 ( 1.092 -0.552 -1.496) 1.933 4.104 ( 1.092 -0.552 1.496) 1.933 4.194 ( -0.722 -0.235 -1.612) 1.782 4.194 ( -0.722 -0.235 1.612) 1.782 4.349 ( 8.864 0.456 -1.167) 8.952 4.349 ( 8.864 0.456 1.167) 8.952 4.727 ( -6.234 -1.670 -2.725) 7.005 4.727 ( -6.234 -1.670 2.725) 7.005 5.243 ( 1.800 -0.645 -0.491) 1.974 5.243 ( 1.800 -0.645 0.491) 1.974 ======================= Grid point 388 (117/129) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -9.803 -2.328 -2.080) 10.288 1.123 ( -9.803 -2.328 2.080) 10.288 1.334 ( -8.764 -0.464 -2.688) 9.179 1.334 ( -8.764 -0.464 2.688) 9.179 1.386 ( -5.314 -0.143 -1.593) 5.549 1.386 ( -5.314 -0.143 1.593) 5.549 1.576 ( -0.408 -1.729 -2.130) 2.774 1.576 ( -0.408 -1.729 2.130) 2.774 1.997 ( -0.297 3.029 -1.885) 3.580 1.997 ( -0.297 3.029 1.885) 3.580 2.355 ( -12.283 -0.705 -4.763) 13.193 2.355 ( -12.283 -0.705 4.763) 13.193 2.608 ( -3.330 1.892 -21.253) 21.595 2.608 ( -3.330 1.892 21.253) 21.595 2.724 ( -1.096 1.294 -6.476) 6.695 2.724 ( -1.096 1.294 6.476) 6.695 2.838 ( -0.569 -1.356 -10.953) 11.052 2.838 ( -0.569 -1.356 10.953) 11.052 3.280 ( -0.340 -0.739 -1.685) 1.871 3.280 ( -0.340 -0.739 1.685) 1.871 3.482 ( 0.872 1.503 -4.606) 4.923 3.482 ( 0.872 1.503 4.606) 4.923 3.722 ( -1.967 -0.619 -0.552) 2.134 3.722 ( -1.967 -0.619 0.552) 2.134 4.017 ( -0.064 0.347 -0.267) 0.443 4.017 ( -0.064 0.347 0.267) 0.443 4.134 ( 1.386 -0.221 -1.485) 2.043 4.134 ( 1.386 -0.221 1.485) 2.043 4.171 ( -1.798 -0.239 -1.367) 2.271 4.171 ( -1.798 -0.239 1.367) 2.271 4.496 ( 0.106 -0.341 -1.252) 1.302 4.496 ( 0.106 -0.341 1.252) 1.302 4.648 ( 3.163 -2.048 -1.787) 4.170 4.648 ( 3.163 -2.048 1.787) 4.170 5.297 ( 3.343 -1.154 -0.404) 3.560 5.297 ( 3.343 -1.154 0.404) 3.560 ======================= Grid point 390 (118/129) ======================= q-point: (-0.42 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -9.709 2.633 -5.464) 11.448 0.939 ( -9.709 2.633 5.464) 11.448 1.147 ( -6.492 -2.351 -0.654) 6.935 1.147 ( -6.492 -2.351 0.654) 6.935 1.334 ( -2.206 4.011 -4.163) 6.187 1.334 ( -2.206 4.011 4.163) 6.187 1.603 ( 0.210 -3.332 -2.051) 3.918 1.603 ( 0.210 -3.332 2.051) 3.918 1.881 ( -13.587 -0.941 -4.188) 14.249 1.881 ( -13.587 -0.941 4.188) 14.249 2.146 ( -4.863 -2.077 -1.668) 5.545 2.146 ( -4.863 -2.077 1.668) 5.545 2.505 ( -5.731 2.018 -9.445) 11.231 2.505 ( -5.731 2.018 9.445) 11.231 2.699 ( -1.450 1.766 -14.774) 14.950 2.699 ( -1.450 1.766 14.774) 14.950 2.849 ( 1.154 0.751 -13.544) 13.614 2.849 ( 1.154 0.751 13.544) 13.614 3.236 ( -3.840 -0.226 -2.414) 4.541 3.236 ( -3.840 -0.226 2.414) 4.541 3.508 ( 1.786 0.651 -3.752) 4.206 3.508 ( 1.786 0.651 3.752) 4.206 3.730 ( 2.167 -0.113 -1.765) 2.797 3.730 ( 2.167 -0.113 1.765) 2.797 3.993 ( -2.810 0.150 -1.430) 3.156 3.993 ( -2.810 0.150 1.430) 3.156 4.099 ( -3.788 0.563 -0.735) 3.900 4.099 ( -3.788 0.563 0.735) 3.900 4.179 ( 1.373 -0.793 -1.173) 1.972 4.179 ( 1.373 -0.793 1.173) 1.972 4.369 ( -9.394 -4.183 -2.569) 10.600 4.369 ( -9.394 -4.183 2.569) 10.600 4.851 ( 12.523 1.531 -1.831) 12.748 4.851 ( 12.523 1.531 1.831) 12.748 5.381 ( 4.480 -1.929 -0.968) 4.973 5.381 ( 4.480 -1.929 0.968) 4.973 ======================= Grid point 392 (119/129) ======================= q-point: (-0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -2.523 6.948 -2.832) 7.915 0.778 ( -2.523 6.948 2.832) 7.915 1.101 ( -2.460 3.491 -1.259) 4.452 1.101 ( -2.460 3.491 1.259) 4.452 1.259 ( -1.426 -0.652 -3.271) 3.627 1.259 ( -1.426 -0.652 3.271) 3.627 1.558 ( -6.509 1.298 -2.932) 7.256 1.558 ( -6.509 1.298 2.932) 7.256 1.630 ( -10.778 -5.897 -4.698) 13.153 1.630 ( -10.778 -5.897 4.698) 13.153 2.157 ( 3.159 -1.898 -7.487) 8.345 2.157 ( 3.159 -1.898 7.487) 8.345 2.407 ( -3.798 -0.286 -5.753) 6.899 2.407 ( -3.798 -0.286 5.753) 6.899 2.664 ( -1.966 -2.237 -23.180) 23.371 2.664 ( -1.966 -2.237 23.180) 23.371 2.849 ( 0.585 5.178 -8.969) 10.373 2.849 ( 0.585 5.178 8.969) 10.373 3.159 ( -3.766 -0.373 -3.586) 5.214 3.159 ( -3.766 -0.373 3.586) 5.214 3.543 ( 2.090 -0.164 -2.154) 3.006 3.543 ( 2.090 -0.164 2.154) 3.006 3.770 ( 1.363 1.278 -2.334) 2.989 3.770 ( 1.363 1.278 2.334) 2.989 3.889 ( -6.880 -0.685 -2.349) 7.302 3.889 ( -6.880 -0.685 2.349) 7.302 4.044 ( -1.510 0.328 -0.088) 1.548 4.044 ( -1.510 0.328 0.088) 1.548 4.199 ( -0.586 -1.870 -1.522) 2.481 4.199 ( -0.586 -1.870 1.522) 2.481 4.254 ( -3.807 -2.330 -1.022) 4.579 4.254 ( -3.807 -2.330 1.022) 4.579 5.036 ( 7.488 3.134 -3.230) 8.737 5.036 ( 7.488 3.134 3.230) 8.737 5.483 ( 4.141 -3.387 -1.950) 5.694 5.483 ( 4.141 -3.387 1.950) 5.694 ======================= Grid point 394 (120/129) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -0.000 9.757 -4.199) 10.622 0.739 ( -0.000 9.757 4.199) 10.622 0.988 ( -0.000 6.658 -6.553) 9.341 0.988 ( -0.000 6.658 6.553) 9.341 1.328 ( 0.000 -2.407 -5.746) 6.229 1.328 ( 0.000 -2.407 5.746) 6.229 1.427 ( 0.000 -0.425 -2.088) 2.130 1.427 ( 0.000 -0.425 2.088) 2.130 1.565 ( 0.000 -5.340 -4.600) 7.048 1.565 ( 0.000 -5.340 4.600) 7.048 2.218 ( 0.000 -1.871 -8.386) 8.593 2.218 ( 0.000 -1.871 8.386) 8.593 2.373 ( 0.000 -2.687 -6.381) 6.924 2.373 ( 0.000 -2.687 6.381) 6.924 2.659 ( 0.000 -2.699 -25.431) 25.574 2.659 ( 0.000 -2.699 25.431) 25.574 2.816 ( -0.000 7.466 -5.905) 9.519 2.816 ( -0.000 7.466 5.905) 9.519 3.124 ( 0.000 -1.199 -4.324) 4.487 3.124 ( 0.000 -1.199 4.324) 4.487 3.574 ( 0.000 -0.584 -1.952) 2.037 3.574 ( 0.000 -0.584 1.952) 2.037 3.753 ( -0.000 0.001 -0.374) 0.374 3.753 ( -0.000 0.001 0.374) 0.374 3.827 ( -0.000 1.238 -3.395) 3.614 3.827 ( -0.000 1.238 3.395) 3.614 4.028 ( -0.000 0.237 -0.641) 0.684 4.028 ( -0.000 0.237 0.641) 0.684 4.191 ( 0.000 -2.455 -1.449) 2.851 4.191 ( 0.000 -2.455 1.449) 2.851 4.239 ( 0.000 -0.770 -0.381) 0.859 4.239 ( 0.000 -0.770 0.381) 0.859 5.088 ( -0.000 3.631 -3.608) 5.119 5.088 ( -0.000 3.631 3.608) 5.119 5.551 ( 0.000 -4.491 -3.611) 5.763 5.551 ( 0.000 -4.491 3.611) 5.763 ======================= Grid point 408 (121/129) ======================= q-point: (-0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -9.055 0.000 -0.309) 9.060 1.277 ( -9.055 0.000 0.309) 9.060 1.382 ( -1.142 0.000 -4.511) 4.653 1.382 ( -1.142 0.000 4.511) 4.653 1.505 ( -4.900 0.000 -4.393) 6.581 1.505 ( -4.900 0.000 4.393) 6.581 1.661 ( -7.458 0.000 -2.526) 7.874 1.661 ( -7.458 0.000 2.526) 7.874 2.060 ( -4.103 0.000 -1.532) 4.380 2.060 ( -4.103 0.000 1.532) 4.380 2.387 ( 8.739 -0.000 -6.045) 10.626 2.387 ( 8.739 -0.000 6.045) 10.626 2.667 ( -0.571 0.000 -31.864) 31.869 2.667 ( -0.571 0.000 31.864) 31.869 2.768 ( 4.389 -0.000 -3.420) 5.564 2.768 ( 4.389 -0.000 3.420) 5.564 2.896 ( -14.723 0.000 -4.413) 15.370 2.896 ( -14.723 0.000 4.413) 15.370 3.234 ( 3.665 -0.000 -0.802) 3.752 3.234 ( 3.665 -0.000 0.802) 3.752 3.540 ( -4.522 0.000 -2.460) 5.148 3.540 ( -4.522 0.000 2.460) 5.148 3.780 ( -3.770 0.000 -0.162) 3.773 3.780 ( -3.770 0.000 0.162) 3.773 4.004 ( 1.791 -0.000 -0.408) 1.837 4.004 ( 1.791 -0.000 0.408) 1.837 4.101 ( 1.161 -0.000 -1.445) 1.854 4.101 ( 1.161 -0.000 1.445) 1.854 4.193 ( -0.729 0.000 -1.568) 1.729 4.193 ( -0.729 0.000 1.568) 1.729 4.351 ( 9.052 -0.000 -1.256) 9.139 4.351 ( 9.052 -0.000 1.256) 9.139 4.717 ( -6.570 0.000 -2.549) 7.047 4.717 ( -6.570 0.000 2.549) 7.047 5.239 ( 1.744 -0.000 -0.467) 1.805 5.239 ( 1.744 -0.000 0.467) 1.805 ======================= Grid point 412 (122/129) ======================= q-point: (-0.58 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -8.431 -0.916 -2.359) 8.803 1.104 ( -8.431 -0.916 2.359) 8.803 1.329 ( -10.878 -0.276 -3.952) 11.577 1.329 ( -10.878 -0.276 3.952) 11.577 1.387 ( -1.072 0.143 -2.562) 2.781 1.387 ( -1.072 0.143 2.562) 2.781 1.562 ( -2.216 -0.636 -1.372) 2.683 1.562 ( -2.216 -0.636 1.372) 2.683 2.022 ( -0.688 1.219 -0.761) 1.593 2.022 ( -0.688 1.219 0.761) 1.593 2.346 ( -15.506 -0.571 -5.455) 16.448 2.346 ( -15.506 -0.571 5.455) 16.448 2.624 ( -3.403 0.802 -22.260) 22.533 2.624 ( -3.403 0.802 22.260) 22.533 2.741 ( 3.083 1.243 -8.224) 8.870 2.741 ( 3.083 1.243 8.224) 8.870 2.822 ( -1.318 -1.150 -6.426) 6.660 2.822 ( -1.318 -1.150 6.426) 6.660 3.273 ( -0.381 -0.341 -1.676) 1.752 3.273 ( -0.381 -0.341 1.676) 1.752 3.494 ( 0.218 0.523 -4.814) 4.848 3.494 ( 0.218 0.523 4.814) 4.848 3.717 ( -1.895 -0.201 -0.190) 1.915 3.717 ( -1.895 -0.201 0.190) 1.915 4.020 ( -0.120 0.129 -0.289) 0.339 4.020 ( -0.120 0.129 0.289) 0.339 4.133 ( 1.839 -0.034 -1.493) 2.369 4.133 ( 1.839 -0.034 1.493) 2.369 4.169 ( -1.892 -0.105 -1.359) 2.331 4.169 ( -1.892 -0.105 1.359) 2.331 4.492 ( -3.186 -0.193 -1.451) 3.506 4.492 ( -3.186 -0.193 1.451) 3.506 4.632 ( 6.136 -0.739 -1.099) 6.278 4.632 ( 6.136 -0.739 1.099) 6.278 5.289 ( 3.283 -0.384 -0.176) 3.310 5.289 ( 3.283 -0.384 0.176) 3.310 ======================= Grid point 414 (123/129) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -6.370 2.397 -3.277) 7.554 0.969 ( -6.370 2.397 3.277) 7.554 1.119 ( -7.563 -2.198 -1.056) 7.946 1.119 ( -7.563 -2.198 1.056) 7.946 1.386 ( 0.060 4.452 -2.190) 4.962 1.386 ( 0.060 4.452 2.190) 4.962 1.560 ( -0.078 -3.846 -1.711) 4.210 1.560 ( -0.078 -3.846 1.711) 4.210 1.873 ( -17.403 -0.451 -5.255) 18.184 1.873 ( -17.403 -0.451 5.255) 18.184 2.121 ( -3.228 -1.892 -2.085) 4.283 2.121 ( -3.228 -1.892 2.085) 4.283 2.531 ( -5.609 2.063 -10.089) 11.726 2.531 ( -5.609 2.063 10.089) 11.726 2.711 ( -4.656 0.493 -11.268) 12.202 2.711 ( -4.656 0.493 11.268) 12.202 2.859 ( 3.589 0.774 -14.695) 15.147 2.859 ( 3.589 0.774 14.695) 15.147 3.232 ( -3.582 -0.378 -2.807) 4.567 3.232 ( -3.582 -0.378 2.807) 4.567 3.513 ( 1.299 0.193 -4.121) 4.325 3.513 ( 1.299 0.193 4.121) 4.325 3.730 ( 2.855 0.109 -1.602) 3.275 3.730 ( 2.855 0.109 1.602) 3.275 3.995 ( -2.984 0.160 -1.384) 3.293 3.995 ( -2.984 0.160 1.384) 3.293 4.105 ( -3.931 0.435 -0.628) 4.004 4.105 ( -3.931 0.435 0.628) 4.004 4.172 ( 1.267 -0.402 -1.164) 1.767 4.172 ( 1.267 -0.402 1.164) 1.767 4.328 ( -9.445 -2.688 -1.636) 9.955 4.328 ( -9.445 -2.688 1.636) 9.955 4.865 ( 13.332 0.830 -1.392) 13.430 4.865 ( 13.332 0.830 1.392) 13.430 5.365 ( 4.173 -0.962 -1.061) 4.412 5.365 ( 4.173 -0.962 1.061) 4.412 ======================= Grid point 416 (124/129) ======================= q-point: (-0.42 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -0.934 5.828 -1.399) 6.066 0.853 ( -0.934 5.828 1.399) 6.066 1.104 ( 2.026 -1.813 -1.200) 2.971 1.104 ( 2.026 -1.813 1.200) 2.971 1.289 ( -7.375 4.867 -0.919) 8.884 1.289 ( -7.375 4.867 0.919) 8.884 1.539 ( -7.463 -3.974 -2.131) 8.719 1.539 ( -7.463 -3.974 2.131) 8.719 1.593 ( -6.799 -1.137 -5.991) 9.133 1.593 ( -6.799 -1.137 5.991) 9.133 2.138 ( 3.038 -1.301 -7.976) 8.634 2.138 ( 3.038 -1.301 7.976) 8.634 2.409 ( -5.774 0.728 -5.971) 8.338 2.409 ( -5.774 0.728 5.971) 8.338 2.633 ( -3.639 -2.933 -19.369) 19.925 2.633 ( -3.639 -2.933 19.369) 19.925 2.902 ( 2.325 3.726 -12.433) 13.186 2.902 ( 2.325 3.726 12.433) 13.186 3.155 ( -4.184 -0.312 -3.778) 5.646 3.155 ( -4.184 -0.312 3.778) 5.646 3.543 ( 2.078 0.149 -1.997) 2.886 3.543 ( 2.078 0.149 1.997) 2.886 3.784 ( 1.785 1.154 -2.827) 3.537 3.784 ( 1.785 1.154 2.827) 3.537 3.881 ( -7.372 -0.828 -2.152) 7.724 3.881 ( -7.372 -0.828 2.152) 7.724 4.046 ( -1.614 0.175 -0.120) 1.628 4.046 ( -1.614 0.175 0.120) 1.628 4.177 ( -1.726 -1.815 -1.505) 2.922 4.177 ( -1.726 -1.815 1.505) 2.922 4.234 ( -1.579 -1.266 -0.708) 2.144 4.234 ( -1.579 -1.266 0.708) 2.144 5.068 ( 8.096 2.362 -2.902) 8.918 5.068 ( 8.096 2.362 2.902) 8.918 5.450 ( 3.509 -2.237 -1.740) 4.510 5.450 ( 3.509 -2.237 1.740) 4.510 ======================= Grid point 418 (125/129) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -0.000 9.152 -4.428) 10.167 0.849 ( -0.000 9.152 4.428) 10.167 1.051 ( -0.000 4.151 -5.019) 6.513 1.051 ( -0.000 4.151 5.019) 6.513 1.263 ( 0.000 -7.503 -4.313) 8.654 1.263 ( 0.000 -7.503 4.313) 8.654 1.432 ( -0.000 1.350 -2.156) 2.544 1.432 ( -0.000 1.350 2.156) 2.544 1.544 ( -0.000 0.341 -5.642) 5.652 1.544 ( -0.000 0.341 5.642) 5.652 2.202 ( 0.000 -0.856 -10.553) 10.587 2.202 ( 0.000 -0.856 10.553) 10.587 2.340 ( 0.000 -2.910 -6.307) 6.946 2.340 ( 0.000 -2.910 6.307) 6.946 2.618 ( 0.000 -3.958 -21.417) 21.780 2.618 ( 0.000 -3.958 21.417) 21.780 2.898 ( -0.000 6.277 -10.412) 12.158 2.898 ( -0.000 6.277 10.412) 12.158 3.111 ( 0.000 -1.007 -4.311) 4.428 3.111 ( 0.000 -1.007 4.311) 4.428 3.572 ( -0.000 0.202 -1.396) 1.410 3.572 ( -0.000 0.202 1.396) 1.410 3.753 ( -0.000 0.030 -0.297) 0.299 3.753 ( -0.000 0.030 0.297) 0.299 3.836 ( -0.000 0.339 -4.274) 4.287 3.836 ( -0.000 0.339 4.274) 4.287 4.031 ( -0.000 0.192 -0.507) 0.542 4.031 ( -0.000 0.192 0.507) 0.542 4.164 ( 0.000 -2.174 -1.477) 2.628 4.164 ( 0.000 -2.174 1.477) 2.628 4.232 ( 0.000 -0.584 -0.270) 0.644 4.232 ( 0.000 -0.584 0.270) 0.644 5.129 ( -0.000 3.414 -3.371) 4.798 5.129 ( -0.000 3.414 3.371) 4.798 5.505 ( 0.000 -3.514 -2.122) 4.105 5.505 ( 0.000 -3.514 2.122) 4.105 ======================= Grid point 436 (126/129) ======================= q-point: (-0.58 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -4.669 0.000 -2.236) 5.177 0.985 ( -4.669 0.000 2.236) 5.177 1.105 ( -8.400 0.000 -0.947) 8.454 1.105 ( -8.400 0.000 0.947) 8.454 1.417 ( 1.797 -0.000 -0.406) 1.842 1.417 ( 1.797 -0.000 0.406) 1.842 1.532 ( -1.144 0.000 -0.000) 1.144 1.532 ( -1.144 0.000 0.000) 1.144 1.871 ( -19.029 0.000 -5.821) 19.900 1.871 ( -19.029 0.000 5.821) 19.900 2.109 ( -2.344 0.000 -2.015) 3.091 2.109 ( -2.344 0.000 2.015) 3.091 2.544 ( -5.329 0.000 -9.695) 11.063 2.544 ( -5.329 0.000 9.695) 11.063 2.713 ( -6.287 0.000 -8.423) 10.510 2.713 ( -6.287 0.000 8.423) 10.510 2.864 ( 4.610 -0.000 -14.726) 15.431 2.864 ( 4.610 -0.000 14.726) 15.431 3.230 ( -3.455 0.000 -3.033) 4.597 3.230 ( -3.455 0.000 3.033) 4.597 3.514 ( 1.192 -0.000 -4.258) 4.422 3.514 ( 1.192 -0.000 4.258) 4.422 3.731 ( 3.070 -0.000 -1.506) 3.420 3.731 ( 3.070 -0.000 1.506) 3.420 3.996 ( -3.032 0.000 -1.377) 3.330 3.996 ( -3.032 0.000 1.377) 3.330 4.108 ( -4.015 0.000 -0.543) 4.052 4.108 ( -4.015 0.000 0.543) 4.052 4.170 ( 1.226 -0.000 -1.186) 1.706 4.170 ( 1.226 -0.000 1.186) 1.706 4.312 ( -9.448 0.000 -1.232) 9.528 4.312 ( -9.448 0.000 1.232) 9.528 4.870 ( 13.629 -0.000 -1.213) 13.683 4.870 ( 13.629 -0.000 1.213) 13.683 5.359 ( 4.065 -0.000 -1.147) 4.224 5.359 ( 4.065 -0.000 1.147) 4.224 ======================= Grid point 440 (127/129) ======================= q-point: (-0.50 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.591 2.343 -4.389) 5.010 0.902 ( -0.591 2.343 4.389) 5.010 1.084 ( 3.301 -1.117 -1.333) 3.731 1.084 ( 3.301 -1.117 1.333) 3.731 1.339 ( -12.481 2.959 -5.553) 13.977 1.339 ( -12.481 2.959 5.553) 13.977 1.499 ( -3.562 -2.306 -0.775) 4.314 1.499 ( -3.562 -2.306 0.775) 4.314 1.584 ( -5.483 -0.544 -7.569) 9.362 1.584 ( -5.483 -0.544 7.569) 9.362 2.127 ( 3.221 -0.537 -7.977) 8.620 2.127 ( 3.221 -0.537 7.977) 8.620 2.420 ( -7.363 0.851 -4.240) 8.539 2.420 ( -7.363 0.851 4.240) 8.539 2.604 ( -4.371 -1.582 -17.254) 17.869 2.604 ( -4.371 -1.582 17.254) 17.869 2.931 ( 2.980 1.304 -13.954) 14.328 2.931 ( 2.980 1.304 13.954) 14.328 3.153 ( -4.303 -0.123 -4.201) 6.015 3.153 ( -4.303 -0.123 4.201) 6.015 3.545 ( 2.235 0.133 -1.932) 2.957 3.545 ( 2.235 0.133 1.932) 2.957 3.795 ( 2.438 0.544 -3.160) 4.028 3.795 ( 2.438 0.544 3.160) 4.028 3.872 ( -8.286 -0.461 -2.013) 8.540 3.872 ( -8.286 -0.461 2.013) 8.540 4.048 ( -1.669 0.050 -0.090) 1.672 4.048 ( -1.669 0.050 0.090) 1.672 4.162 ( -2.088 -0.731 -1.336) 2.584 4.162 ( -2.088 -0.731 1.336) 2.584 4.224 ( -0.524 -0.396 -0.525) 0.840 4.224 ( -0.524 -0.396 0.525) 0.840 5.087 ( 8.548 0.887 -2.677) 9.001 5.087 ( 8.548 0.887 2.677) 9.001 5.433 ( 3.090 -0.785 -2.156) 3.849 5.433 ( 3.090 -0.785 2.156) 3.849 ======================= Grid point 442 (128/129) ======================= q-point: (-0.42 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -0.000 6.192 -7.575) 9.784 0.939 ( -0.000 6.192 7.575) 9.784 1.082 ( -0.000 1.517 -7.700) 7.848 1.082 ( -0.000 1.517 7.700) 7.848 1.185 ( 0.000 -5.558 -3.149) 6.388 1.185 ( 0.000 -5.558 3.149) 6.388 1.452 ( -0.000 1.806 -2.469) 3.059 1.452 ( -0.000 1.806 2.469) 3.059 1.550 ( -0.000 0.247 -6.669) 6.673 1.550 ( -0.000 0.247 6.669) 6.673 2.200 ( -0.000 0.319 -10.725) 10.730 2.200 ( -0.000 0.319 10.725) 10.730 2.311 ( 0.000 -2.006 -6.268) 6.581 2.311 ( 0.000 -2.006 6.268) 6.581 2.577 ( 0.000 -2.875 -19.343) 19.555 2.577 ( 0.000 -2.875 19.343) 19.555 2.953 ( -0.000 3.301 -12.937) 13.352 2.953 ( -0.000 3.301 12.937) 13.352 3.102 ( 0.000 -0.566 -4.295) 4.333 3.102 ( 0.000 -0.566 4.295) 4.333 3.577 ( -0.000 0.476 -0.893) 1.012 3.577 ( -0.000 0.476 0.893) 1.012 3.754 ( -0.000 0.028 -0.256) 0.257 3.754 ( -0.000 0.028 0.256) 0.257 3.836 ( 0.000 -0.130 -4.746) 4.748 3.836 ( 0.000 -0.130 4.746) 4.748 4.032 ( -0.000 0.106 -0.393) 0.407 4.032 ( -0.000 0.106 0.393) 0.407 4.144 ( 0.000 -1.264 -1.207) 1.748 4.144 ( 0.000 -1.264 1.207) 1.748 4.226 ( 0.000 -0.319 -0.099) 0.334 4.226 ( 0.000 -0.319 0.099) 0.334 5.162 ( -0.000 2.156 -3.213) 3.869 5.162 ( -0.000 2.156 3.213) 3.869 5.473 ( 0.000 -1.999 -2.373) 3.103 5.473 ( 0.000 -1.999 2.373) 3.103 ======================= Grid point 466 (129/129) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -0.000 0.000 -9.713) 9.713 0.977 ( -0.000 0.000 9.713) 9.713 1.090 ( -0.000 0.000 -8.934) 8.934 1.090 ( -0.000 0.000 8.934) 8.934 1.150 ( 0.000 -0.000 -1.799) 1.799 1.150 ( -0.000 0.000 1.799) 1.799 1.464 ( -0.000 0.000 -2.393) 2.393 1.464 ( -0.000 0.000 2.393) 2.393 1.550 ( -0.000 0.000 -7.421) 7.421 1.550 ( -0.000 0.000 7.421) 7.421 2.203 ( -0.000 0.000 -10.282) 10.282 2.203 ( -0.000 0.000 10.282) 10.282 2.299 ( -0.000 0.000 -6.257) 6.257 2.299 ( -0.000 0.000 6.257) 6.257 2.560 ( -0.000 0.000 -18.655) 18.655 2.560 ( -0.000 0.000 18.655) 18.655 2.972 ( -0.000 0.000 -13.837) 13.837 2.972 ( -0.000 0.000 13.837) 13.837 3.099 ( -0.000 0.000 -4.289) 4.289 3.099 ( -0.000 0.000 4.289) 4.289 3.580 ( -0.000 0.000 -0.769) 0.769 3.580 ( -0.000 0.000 0.769) 0.769 3.754 ( -0.000 0.000 -0.243) 0.243 3.754 ( -0.000 0.000 0.243) 0.243 3.835 ( -0.000 0.000 -4.883) 4.883 3.835 ( -0.000 0.000 4.883) 4.883 4.033 ( -0.000 0.000 -0.345) 0.345 4.033 ( -0.000 0.000 0.345) 0.345 4.137 ( -0.000 0.000 -1.022) 1.022 4.137 ( -0.000 0.000 1.022) 1.022 4.225 ( -0.000 0.000 -0.113) 0.113 4.225 ( -0.000 0.000 0.113) 0.113 5.175 ( -0.000 0.000 -3.189) 3.189 5.175 ( -0.000 0.000 3.189) 3.189 5.462 ( -0.000 0.000 -2.741) 2.741 5.462 ( -0.000 0.000 2.741) 2.741 =================== 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 3/20736 10.0 125.793 135.282 17.278 0.000 0.000 -0.000 3/20736 20.0 44.536 28.438 10.363 0.000 0.000 -0.000 3/20736 30.0 24.890 13.442 7.777 0.000 0.000 -0.000 3/20736 40.0 16.689 8.392 6.135 0.000 0.000 -0.000 3/20736 50.0 12.499 6.028 5.043 0.000 0.000 -0.000 3/20736 60.0 10.024 4.699 4.280 0.000 0.000 -0.000 3/20736 70.0 8.399 3.858 3.721 0.000 0.000 -0.000 3/20736 80.0 7.248 3.279 3.292 0.000 0.000 -0.000 3/20736 90.0 6.387 2.855 2.952 0.000 0.000 -0.000 3/20736 100.0 5.716 2.532 2.676 0.000 0.000 -0.000 3/20736 110.0 5.177 2.277 2.447 0.000 0.000 -0.000 3/20736 120.0 4.733 2.070 2.255 0.000 0.000 -0.000 3/20736 130.0 4.361 1.898 2.090 0.000 0.000 -0.000 3/20736 140.0 4.045 1.754 1.947 0.000 0.000 -0.000 3/20736 150.0 3.772 1.630 1.823 0.000 0.000 -0.000 3/20736 160.0 3.534 1.523 1.714 0.000 0.000 -0.000 3/20736 170.0 3.325 1.430 1.617 0.000 0.000 -0.000 3/20736 180.0 3.139 1.347 1.530 0.000 0.000 -0.000 3/20736 190.0 2.973 1.274 1.452 0.000 0.000 -0.000 3/20736 200.0 2.824 1.208 1.381 0.000 0.000 -0.000 3/20736 210.0 2.689 1.149 1.317 0.000 0.000 -0.000 3/20736 220.0 2.567 1.096 1.259 0.000 0.000 -0.000 3/20736 230.0 2.455 1.047 1.206 0.000 0.000 -0.000 3/20736 240.0 2.353 1.003 1.157 0.000 0.000 -0.000 3/20736 250.0 2.259 0.962 1.111 0.000 0.000 -0.000 3/20736 260.0 2.172 0.924 1.069 0.000 0.000 -0.000 3/20736 270.0 2.092 0.889 1.031 0.000 0.000 -0.000 3/20736 280.0 2.017 0.857 0.994 0.000 0.000 -0.000 3/20736 290.0 1.948 0.827 0.961 0.000 0.000 -0.000 3/20736 300.0 1.883 0.799 0.929 0.000 0.000 -0.000 3/20736 310.0 1.822 0.773 0.900 0.000 0.000 -0.000 3/20736 320.0 1.766 0.749 0.872 0.000 0.000 -0.000 3/20736 330.0 1.712 0.726 0.846 0.000 0.000 -0.000 3/20736 340.0 1.662 0.704 0.822 0.000 0.000 -0.000 3/20736 350.0 1.615 0.684 0.798 0.000 0.000 -0.000 3/20736 360.0 1.570 0.665 0.777 0.000 0.000 -0.000 3/20736 370.0 1.527 0.647 0.756 0.000 0.000 -0.000 3/20736 380.0 1.487 0.630 0.736 0.000 0.000 -0.000 3/20736 390.0 1.449 0.613 0.718 0.000 0.000 -0.000 3/20736 400.0 1.413 0.598 0.700 0.000 0.000 -0.000 3/20736 410.0 1.379 0.583 0.683 0.000 0.000 -0.000 3/20736 420.0 1.346 0.569 0.667 0.000 0.000 -0.000 3/20736 430.0 1.315 0.556 0.652 0.000 0.000 -0.000 3/20736 440.0 1.285 0.543 0.637 0.000 0.000 -0.000 3/20736 450.0 1.257 0.531 0.623 0.000 0.000 -0.000 3/20736 460.0 1.229 0.520 0.609 0.000 0.000 -0.000 3/20736 470.0 1.203 0.508 0.597 0.000 0.000 -0.000 3/20736 480.0 1.178 0.498 0.584 0.000 0.000 -0.000 3/20736 490.0 1.154 0.488 0.572 0.000 0.000 -0.000 3/20736 500.0 1.131 0.478 0.561 0.000 0.000 -0.000 3/20736 510.0 1.109 0.468 0.550 0.000 0.000 -0.000 3/20736 520.0 1.088 0.459 0.540 0.000 0.000 -0.000 3/20736 530.0 1.067 0.451 0.530 0.000 0.000 -0.000 3/20736 540.0 1.048 0.442 0.520 0.000 0.000 -0.000 3/20736 550.0 1.029 0.434 0.510 0.000 0.000 -0.000 3/20736 560.0 1.010 0.427 0.501 0.000 0.000 -0.000 3/20736 570.0 0.993 0.419 0.493 0.000 0.000 -0.000 3/20736 580.0 0.976 0.412 0.484 0.000 0.000 -0.000 3/20736 590.0 0.959 0.405 0.476 0.000 0.000 -0.000 3/20736 600.0 0.943 0.398 0.468 0.000 0.000 -0.000 3/20736 610.0 0.928 0.391 0.461 0.000 0.000 -0.000 3/20736 620.0 0.913 0.385 0.453 0.000 0.000 -0.000 3/20736 630.0 0.898 0.379 0.446 0.000 0.000 -0.000 3/20736 640.0 0.884 0.373 0.439 0.000 0.000 -0.000 3/20736 650.0 0.871 0.367 0.432 0.000 0.000 -0.000 3/20736 660.0 0.858 0.362 0.426 0.000 0.000 -0.000 3/20736 670.0 0.845 0.356 0.420 0.000 0.000 -0.000 3/20736 680.0 0.832 0.351 0.413 0.000 0.000 -0.000 3/20736 690.0 0.820 0.346 0.408 0.000 0.000 -0.000 3/20736 700.0 0.809 0.341 0.402 0.000 0.000 -0.000 3/20736 710.0 0.797 0.336 0.396 0.000 0.000 -0.000 3/20736 720.0 0.786 0.332 0.391 0.000 0.000 -0.000 3/20736 730.0 0.776 0.327 0.385 0.000 0.000 -0.000 3/20736 740.0 0.765 0.323 0.380 0.000 0.000 -0.000 3/20736 750.0 0.755 0.318 0.375 0.000 0.000 -0.000 3/20736 760.0 0.745 0.314 0.370 0.000 0.000 -0.000 3/20736 770.0 0.735 0.310 0.365 0.000 0.000 -0.000 3/20736 780.0 0.726 0.306 0.361 0.000 0.000 -0.000 3/20736 790.0 0.717 0.302 0.356 0.000 0.000 -0.000 3/20736 800.0 0.708 0.298 0.352 0.000 0.000 -0.000 3/20736 810.0 0.699 0.295 0.347 0.000 0.000 -0.000 3/20736 820.0 0.691 0.291 0.343 0.000 0.000 -0.000 3/20736 830.0 0.682 0.288 0.339 0.000 0.000 -0.000 3/20736 840.0 0.674 0.284 0.335 0.000 0.000 -0.000 3/20736 850.0 0.666 0.281 0.331 0.000 0.000 -0.000 3/20736 860.0 0.658 0.278 0.327 0.000 0.000 -0.000 3/20736 870.0 0.651 0.274 0.324 0.000 0.000 -0.000 3/20736 880.0 0.644 0.271 0.320 0.000 0.000 -0.000 3/20736 890.0 0.636 0.268 0.316 0.000 0.000 -0.000 3/20736 900.0 0.629 0.265 0.313 0.000 0.000 -0.000 3/20736 910.0 0.622 0.262 0.309 0.000 0.000 -0.000 3/20736 920.0 0.616 0.259 0.306 0.000 0.000 -0.000 3/20736 930.0 0.609 0.257 0.303 0.000 0.000 -0.000 3/20736 940.0 0.603 0.254 0.300 0.000 0.000 -0.000 3/20736 950.0 0.596 0.251 0.296 0.000 0.000 -0.000 3/20736 960.0 0.590 0.249 0.293 0.000 0.000 -0.000 3/20736 970.0 0.584 0.246 0.290 0.000 0.000 -0.000 3/20736 980.0 0.578 0.244 0.287 0.000 0.000 -0.000 3/20736 990.0 0.572 0.241 0.285 0.000 0.000 -0.000 3/20736 1000.0 0.566 0.239 0.282 0.000 0.000 -0.000 3/20736 Thermal conductivity related properties were written into "kappa-m12124.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:42:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|