----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:40:18]------------------------- 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 2.235507600000000 -7.387493335000002 0.000000000000000 b 2.235507600000000 7.387493335000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.282076360000000 Atomic positions (fractional): *1 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 2 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 *3 Ag 0.46857297252339 0.53142702747661 0.25000000000000 107.868 4 Ag 0.53142702747661 0.46857297252339 0.75000000000000 107.868 *5 Te 0.64023016229211 0.35976983770789 0.94973701253037 127.600 *6 Te 0.08041333042920 0.91958666957080 0.25000000000000 127.600 7 Te 0.35976983770789 0.64023016229211 0.44973701253037 127.600 8 Te 0.35976983770789 0.64023016229211 0.05026298746963 127.600 9 Te 0.64023016229211 0.35976983770789 0.55026298746963 127.600 10 Te 0.91958666957080 0.08041333042920 0.75000000000000 127.600 *11 Ba 0.75619018775064 0.24380981224936 0.25000000000000 137.327 12 Ba 0.24380981224936 0.75619018775064 0.75000000000000 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.471015200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.774986670000004 0.000000000000000 c 0.000000000000000 0.000000000000000 11.282076360000000 Atomic positions (fractional): *1 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 1 2 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 2 3 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 1 4 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 2 *5 Ag 0.50000000000000 0.03142702747661 0.25000000000000 107.868 > 3 6 Ag 0.00000000000000 0.46857297252339 0.75000000000000 107.868 > 4 7 Ag 0.00000000000000 0.53142702747661 0.25000000000000 107.868 > 3 8 Ag 0.50000000000000 0.96857297252339 0.75000000000000 107.868 > 4 *9 Te 0.00000000000000 0.35976983770789 0.94973701253037 127.600 > 5 *10 Te 0.50000000000000 0.41958666957080 0.25000000000000 127.600 > 6 11 Te 0.50000000000000 0.14023016229211 0.44973701253037 127.600 > 7 12 Te 0.50000000000000 0.14023016229211 0.05026298746963 127.600 > 8 13 Te 0.00000000000000 0.35976983770789 0.55026298746963 127.600 > 9 14 Te 0.00000000000000 0.08041333042920 0.75000000000000 127.600 > 10 15 Te 0.50000000000000 0.85976983770789 0.94973701253037 127.600 > 5 16 Te 0.00000000000000 0.91958666957080 0.25000000000000 127.600 > 6 17 Te 0.00000000000000 0.64023016229211 0.44973701253037 127.600 > 7 18 Te 0.00000000000000 0.64023016229211 0.05026298746963 127.600 > 8 19 Te 0.50000000000000 0.85976983770789 0.55026298746963 127.600 > 9 20 Te 0.50000000000000 0.58041333042920 0.75000000000000 127.600 > 10 *21 Ba 0.00000000000000 0.24380981224936 0.25000000000000 137.327 > 11 22 Ba 0.50000000000000 0.25619018775064 0.75000000000000 137.327 > 12 23 Ba 0.50000000000000 0.74380981224936 0.25000000000000 137.327 > 11 24 Ba 0.00000000000000 0.75619018775064 0.75000000000000 137.327 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.413045600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.774986670000004 0.000000000000000 c 0.000000000000000 0.000000000000000 22.564152719999999 Atomic positions (fractional): *1 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 1 2 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 1 3 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 1 4 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 1 5 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 1 6 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 1 7 Y 0.00000000000000 0.00000000000000 0.25000000000000 88.906 > 2 8 Y 0.33333333333333 0.00000000000000 0.25000000000000 88.906 > 2 9 Y 0.66666666666667 0.00000000000000 0.25000000000000 88.906 > 2 10 Y 0.00000000000000 0.00000000000000 0.75000000000000 88.906 > 2 11 Y 0.33333333333333 0.00000000000000 0.75000000000000 88.906 > 2 12 Y 0.66666666666667 0.00000000000000 0.75000000000000 88.906 > 2 13 Y 0.16666666666667 0.50000000000000 0.00000000000000 88.906 > 1 14 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 1 15 Y 0.83333333333333 0.50000000000000 0.00000000000000 88.906 > 1 16 Y 0.16666666666667 0.50000000000000 0.50000000000000 88.906 > 1 17 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 1 18 Y 0.83333333333333 0.50000000000000 0.50000000000000 88.906 > 1 19 Y 0.16666666666667 0.50000000000000 0.25000000000000 88.906 > 2 20 Y 0.50000000000000 0.50000000000000 0.25000000000000 88.906 > 2 21 Y 0.83333333333333 0.50000000000000 0.25000000000000 88.906 > 2 22 Y 0.16666666666667 0.50000000000000 0.75000000000000 88.906 > 2 23 Y 0.50000000000000 0.50000000000000 0.75000000000000 88.906 > 2 24 Y 0.83333333333333 0.50000000000000 0.75000000000000 88.906 > 2 *25 Ag 0.16666666666667 0.03142702747661 0.12500000000000 107.868 > 3 26 Ag 0.50000000000000 0.03142702747661 0.12500000000000 107.868 > 3 27 Ag 0.83333333333333 0.03142702747661 0.12500000000000 107.868 > 3 28 Ag 0.16666666666667 0.03142702747661 0.62500000000000 107.868 > 3 29 Ag 0.50000000000000 0.03142702747661 0.62500000000000 107.868 > 3 30 Ag 0.83333333333333 0.03142702747661 0.62500000000000 107.868 > 3 31 Ag 0.00000000000000 0.46857297252339 0.37500000000000 107.868 > 4 32 Ag 0.33333333333333 0.46857297252339 0.37500000000000 107.868 > 4 33 Ag 0.66666666666667 0.46857297252339 0.37500000000000 107.868 > 4 34 Ag 0.00000000000000 0.46857297252339 0.87500000000000 107.868 > 4 35 Ag 0.33333333333333 0.46857297252339 0.87500000000000 107.868 > 4 36 Ag 0.66666666666667 0.46857297252339 0.87500000000000 107.868 > 4 37 Ag 0.00000000000000 0.53142702747661 0.12500000000000 107.868 > 3 38 Ag 0.33333333333333 0.53142702747661 0.12500000000000 107.868 > 3 39 Ag 0.66666666666667 0.53142702747661 0.12500000000000 107.868 > 3 40 Ag 0.00000000000000 0.53142702747661 0.62500000000000 107.868 > 3 41 Ag 0.33333333333333 0.53142702747661 0.62500000000000 107.868 > 3 42 Ag 0.66666666666667 0.53142702747661 0.62500000000000 107.868 > 3 43 Ag 0.16666666666667 0.96857297252339 0.37500000000000 107.868 > 4 44 Ag 0.50000000000000 0.96857297252339 0.37500000000000 107.868 > 4 45 Ag 0.83333333333333 0.96857297252339 0.37500000000000 107.868 > 4 46 Ag 0.16666666666667 0.96857297252339 0.87500000000000 107.868 > 4 47 Ag 0.50000000000000 0.96857297252339 0.87500000000000 107.868 > 4 48 Ag 0.83333333333333 0.96857297252339 0.87500000000000 107.868 > 4 *49 Te 0.00000000000000 0.35976983770789 0.47486850626518 127.600 > 5 50 Te 0.33333333333333 0.35976983770789 0.47486850626518 127.600 > 5 51 Te 0.66666666666667 0.35976983770789 0.47486850626518 127.600 > 5 52 Te 0.00000000000000 0.35976983770789 0.97486850626518 127.600 > 5 53 Te 0.33333333333333 0.35976983770789 0.97486850626518 127.600 > 5 54 Te 0.66666666666667 0.35976983770789 0.97486850626518 127.600 > 5 *55 Te 0.16666666666667 0.41958666957080 0.12500000000000 127.600 > 6 56 Te 0.50000000000000 0.41958666957080 0.12500000000000 127.600 > 6 57 Te 0.83333333333333 0.41958666957080 0.12500000000000 127.600 > 6 58 Te 0.16666666666667 0.41958666957080 0.62500000000000 127.600 > 6 59 Te 0.50000000000000 0.41958666957080 0.62500000000000 127.600 > 6 60 Te 0.83333333333333 0.41958666957080 0.62500000000000 127.600 > 6 61 Te 0.16666666666667 0.14023016229211 0.22486850626518 127.600 > 7 62 Te 0.50000000000000 0.14023016229211 0.22486850626518 127.600 > 7 63 Te 0.83333333333333 0.14023016229211 0.22486850626518 127.600 > 7 64 Te 0.16666666666667 0.14023016229211 0.72486850626518 127.600 > 7 65 Te 0.50000000000000 0.14023016229211 0.72486850626518 127.600 > 7 66 Te 0.83333333333333 0.14023016229211 0.72486850626518 127.600 > 7 67 Te 0.16666666666667 0.14023016229211 0.02513149373482 127.600 > 8 68 Te 0.50000000000000 0.14023016229211 0.02513149373482 127.600 > 8 69 Te 0.83333333333333 0.14023016229211 0.02513149373482 127.600 > 8 70 Te 0.16666666666667 0.14023016229211 0.52513149373482 127.600 > 8 71 Te 0.50000000000000 0.14023016229211 0.52513149373482 127.600 > 8 72 Te 0.83333333333333 0.14023016229211 0.52513149373482 127.600 > 8 73 Te 0.00000000000000 0.35976983770789 0.27513149373482 127.600 > 9 74 Te 0.33333333333333 0.35976983770789 0.27513149373482 127.600 > 9 75 Te 0.66666666666667 0.35976983770789 0.27513149373482 127.600 > 9 76 Te 0.00000000000000 0.35976983770789 0.77513149373482 127.600 > 9 77 Te 0.33333333333333 0.35976983770789 0.77513149373482 127.600 > 9 78 Te 0.66666666666667 0.35976983770789 0.77513149373482 127.600 > 9 79 Te 0.00000000000000 0.08041333042920 0.37500000000000 127.600 > 10 80 Te 0.33333333333333 0.08041333042920 0.37500000000000 127.600 > 10 81 Te 0.66666666666667 0.08041333042920 0.37500000000000 127.600 > 10 82 Te 0.00000000000000 0.08041333042920 0.87500000000000 127.600 > 10 83 Te 0.33333333333333 0.08041333042920 0.87500000000000 127.600 > 10 84 Te 0.66666666666667 0.08041333042920 0.87500000000000 127.600 > 10 85 Te 0.16666666666667 0.85976983770789 0.47486850626518 127.600 > 5 86 Te 0.50000000000000 0.85976983770789 0.47486850626518 127.600 > 5 87 Te 0.83333333333333 0.85976983770789 0.47486850626518 127.600 > 5 88 Te 0.16666666666667 0.85976983770789 0.97486850626518 127.600 > 5 89 Te 0.50000000000000 0.85976983770789 0.97486850626518 127.600 > 5 90 Te 0.83333333333333 0.85976983770789 0.97486850626518 127.600 > 5 91 Te 0.00000000000000 0.91958666957080 0.12500000000000 127.600 > 6 92 Te 0.33333333333333 0.91958666957080 0.12500000000000 127.600 > 6 93 Te 0.66666666666667 0.91958666957080 0.12500000000000 127.600 > 6 94 Te 0.00000000000000 0.91958666957080 0.62500000000000 127.600 > 6 95 Te 0.33333333333333 0.91958666957080 0.62500000000000 127.600 > 6 96 Te 0.66666666666667 0.91958666957080 0.62500000000000 127.600 > 6 97 Te 0.00000000000000 0.64023016229211 0.22486850626518 127.600 > 7 98 Te 0.33333333333333 0.64023016229211 0.22486850626518 127.600 > 7 99 Te 0.66666666666667 0.64023016229211 0.22486850626518 127.600 > 7 100 Te 0.00000000000000 0.64023016229211 0.72486850626518 127.600 > 7 101 Te 0.33333333333333 0.64023016229211 0.72486850626518 127.600 > 7 102 Te 0.66666666666667 0.64023016229211 0.72486850626518 127.600 > 7 103 Te 0.00000000000000 0.64023016229211 0.02513149373482 127.600 > 8 104 Te 0.33333333333333 0.64023016229211 0.02513149373482 127.600 > 8 105 Te 0.66666666666667 0.64023016229211 0.02513149373482 127.600 > 8 106 Te 0.00000000000000 0.64023016229211 0.52513149373482 127.600 > 8 107 Te 0.33333333333333 0.64023016229211 0.52513149373482 127.600 > 8 108 Te 0.66666666666667 0.64023016229211 0.52513149373482 127.600 > 8 109 Te 0.16666666666667 0.85976983770789 0.27513149373482 127.600 > 9 110 Te 0.50000000000000 0.85976983770789 0.27513149373482 127.600 > 9 111 Te 0.83333333333333 0.85976983770789 0.27513149373482 127.600 > 9 112 Te 0.16666666666667 0.85976983770789 0.77513149373482 127.600 > 9 113 Te 0.50000000000000 0.85976983770789 0.77513149373482 127.600 > 9 114 Te 0.83333333333333 0.85976983770789 0.77513149373482 127.600 > 9 115 Te 0.16666666666667 0.58041333042920 0.37500000000000 127.600 > 10 116 Te 0.50000000000000 0.58041333042920 0.37500000000000 127.600 > 10 117 Te 0.83333333333333 0.58041333042920 0.37500000000000 127.600 > 10 118 Te 0.16666666666667 0.58041333042920 0.87500000000000 127.600 > 10 119 Te 0.50000000000000 0.58041333042920 0.87500000000000 127.600 > 10 120 Te 0.83333333333333 0.58041333042920 0.87500000000000 127.600 > 10 *121 Ba 0.00000000000000 0.24380981224936 0.12500000000000 137.327 > 11 122 Ba 0.33333333333333 0.24380981224936 0.12500000000000 137.327 > 11 123 Ba 0.66666666666667 0.24380981224936 0.12500000000000 137.327 > 11 124 Ba 0.00000000000000 0.24380981224936 0.62500000000000 137.327 > 11 125 Ba 0.33333333333333 0.24380981224936 0.62500000000000 137.327 > 11 126 Ba 0.66666666666667 0.24380981224936 0.62500000000000 137.327 > 11 127 Ba 0.16666666666667 0.25619018775064 0.37500000000000 137.327 > 12 128 Ba 0.50000000000000 0.25619018775064 0.37500000000000 137.327 > 12 129 Ba 0.83333333333333 0.25619018775064 0.37500000000000 137.327 > 12 130 Ba 0.16666666666667 0.25619018775064 0.87500000000000 137.327 > 12 131 Ba 0.50000000000000 0.25619018775064 0.87500000000000 137.327 > 12 132 Ba 0.83333333333333 0.25619018775064 0.87500000000000 137.327 > 12 133 Ba 0.16666666666667 0.74380981224936 0.12500000000000 137.327 > 11 134 Ba 0.50000000000000 0.74380981224936 0.12500000000000 137.327 > 11 135 Ba 0.83333333333333 0.74380981224936 0.12500000000000 137.327 > 11 136 Ba 0.16666666666667 0.74380981224936 0.62500000000000 137.327 > 11 137 Ba 0.50000000000000 0.74380981224936 0.62500000000000 137.327 > 11 138 Ba 0.83333333333333 0.74380981224936 0.62500000000000 137.327 > 11 139 Ba 0.00000000000000 0.75619018775064 0.37500000000000 137.327 > 12 140 Ba 0.33333333333333 0.75619018775064 0.37500000000000 137.327 > 12 141 Ba 0.66666666666667 0.75619018775064 0.37500000000000 137.327 > 12 142 Ba 0.00000000000000 0.75619018775064 0.87500000000000 137.327 > 12 143 Ba 0.33333333333333 0.75619018775064 0.87500000000000 137.327 > 12 144 Ba 0.66666666666667 0.75619018775064 0.87500000000000 137.327 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.3986753 0.0000000 0.0000000 0.0000000 8.8412756 0.0000000 0.0000000 0.0000000 10.3864506 -------------------------- Born effective charges -------------------------- 1 Y 5.1116856 0.0000000 0.0000000 0.0000000 2.5458998 0.1569570 0.0000000 0.0451113 4.5986570 2 Y 5.1116856 0.0000000 0.0000000 0.0000000 2.5458998 -0.1569570 0.0000000 -0.0451113 4.5986570 3 Ag 0.7211005 0.0000000 0.0000000 0.0000000 0.4576704 0.0000000 0.0000000 0.0000000 0.6663400 4 Ag 0.7211005 0.0000000 0.0000000 0.0000000 0.4576704 0.0000000 0.0000000 0.0000000 0.6663400 5 Te -3.3822005 0.0000000 0.0000000 0.0000000 -2.2273452 -0.2211944 0.0000000 -0.3151208 -2.3031120 6 Te -1.9314516 0.0000000 0.0000000 0.0000000 -2.0925352 0.0000000 0.0000000 0.0000000 -3.5122351 7 Te -3.3822005 0.0000000 0.0000000 0.0000000 -2.2273452 0.2211944 0.0000000 0.3151208 -2.3031120 8 Te -3.3822005 0.0000000 0.0000000 0.0000000 -2.2273452 -0.2211944 0.0000000 -0.3151208 -2.3031120 9 Te -3.3822005 0.0000000 0.0000000 0.0000000 -2.2273452 0.2211944 0.0000000 0.3151208 -2.3031120 10 Te -1.9314516 0.0000000 0.0000000 0.0000000 -2.0925352 0.0000000 0.0000000 0.0000000 -3.5122351 11 Ba 2.8630665 0.0000000 0.0000000 0.0000000 3.5436554 0.0000000 0.0000000 0.0000000 2.8534622 12 Ba 2.8630665 0.0000000 0.0000000 0.0000000 3.5436554 0.0000000 0.0000000 0.0000000 2.8534622 ---------------------------------------------------------------------------- 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: 1.682 Solver_block: 200 / 240 - Time: 1.677 Solver_block: 240 / 240 - Time: 0.760 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.228 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:40:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:40:40]------------------------- 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 2.235507600000000 -7.387493335000002 0.000000000000000 b 2.235507600000000 7.387493335000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.282076360000000 Atomic positions (fractional): 1 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 2 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 3 Ag 0.46857297252339 0.53142702747661 0.25000000000000 107.868 4 Ag 0.53142702747661 0.46857297252339 0.75000000000000 107.868 5 Te 0.64023016229211 0.35976983770789 0.94973701253037 127.600 6 Te 0.08041333042920 0.91958666957080 0.25000000000000 127.600 7 Te 0.35976983770789 0.64023016229211 0.44973701253037 127.600 8 Te 0.35976983770789 0.64023016229211 0.05026298746963 127.600 9 Te 0.64023016229211 0.35976983770789 0.55026298746963 127.600 10 Te 0.91958666957080 0.08041333042920 0.75000000000000 127.600 11 Ba 0.75619018775064 0.24380981224936 0.25000000000000 137.327 12 Ba 0.24380981224936 0.75619018775064 0.75000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.413045600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.774986670000004 0.000000000000000 c 0.000000000000000 0.000000000000000 22.564152719999999 Atomic positions (fractional): 1 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 1 2 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 1 3 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 1 4 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 1 5 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 1 6 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 1 7 Y 0.00000000000000 0.00000000000000 0.25000000000000 88.906 > 7 8 Y 0.33333333333333 0.00000000000000 0.25000000000000 88.906 > 7 9 Y 0.66666666666667 0.00000000000000 0.25000000000000 88.906 > 7 10 Y 0.00000000000000 0.00000000000000 0.75000000000000 88.906 > 7 11 Y 0.33333333333333 0.00000000000000 0.75000000000000 88.906 > 7 12 Y 0.66666666666667 0.00000000000000 0.75000000000000 88.906 > 7 13 Y 0.16666666666667 0.50000000000000 0.00000000000000 88.906 > 1 14 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 1 15 Y 0.83333333333333 0.50000000000000 0.00000000000000 88.906 > 1 16 Y 0.16666666666667 0.50000000000000 0.50000000000000 88.906 > 1 17 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 1 18 Y 0.83333333333333 0.50000000000000 0.50000000000000 88.906 > 1 19 Y 0.16666666666667 0.50000000000000 0.25000000000000 88.906 > 7 20 Y 0.50000000000000 0.50000000000000 0.25000000000000 88.906 > 7 21 Y 0.83333333333333 0.50000000000000 0.25000000000000 88.906 > 7 22 Y 0.16666666666667 0.50000000000000 0.75000000000000 88.906 > 7 23 Y 0.50000000000000 0.50000000000000 0.75000000000000 88.906 > 7 24 Y 0.83333333333333 0.50000000000000 0.75000000000000 88.906 > 7 25 Ag 0.16666666666667 0.03142702747661 0.12500000000000 107.868 > 25 26 Ag 0.50000000000000 0.03142702747661 0.12500000000000 107.868 > 25 27 Ag 0.83333333333333 0.03142702747661 0.12500000000000 107.868 > 25 28 Ag 0.16666666666667 0.03142702747661 0.62500000000000 107.868 > 25 29 Ag 0.50000000000000 0.03142702747661 0.62500000000000 107.868 > 25 30 Ag 0.83333333333333 0.03142702747661 0.62500000000000 107.868 > 25 31 Ag 0.00000000000000 0.46857297252339 0.37500000000000 107.868 > 31 32 Ag 0.33333333333333 0.46857297252339 0.37500000000000 107.868 > 31 33 Ag 0.66666666666667 0.46857297252339 0.37500000000000 107.868 > 31 34 Ag 0.00000000000000 0.46857297252339 0.87500000000000 107.868 > 31 35 Ag 0.33333333333333 0.46857297252339 0.87500000000000 107.868 > 31 36 Ag 0.66666666666667 0.46857297252339 0.87500000000000 107.868 > 31 37 Ag 0.00000000000000 0.53142702747661 0.12500000000000 107.868 > 25 38 Ag 0.33333333333333 0.53142702747661 0.12500000000000 107.868 > 25 39 Ag 0.66666666666667 0.53142702747661 0.12500000000000 107.868 > 25 40 Ag 0.00000000000000 0.53142702747661 0.62500000000000 107.868 > 25 41 Ag 0.33333333333333 0.53142702747661 0.62500000000000 107.868 > 25 42 Ag 0.66666666666667 0.53142702747661 0.62500000000000 107.868 > 25 43 Ag 0.16666666666667 0.96857297252339 0.37500000000000 107.868 > 31 44 Ag 0.50000000000000 0.96857297252339 0.37500000000000 107.868 > 31 45 Ag 0.83333333333333 0.96857297252339 0.37500000000000 107.868 > 31 46 Ag 0.16666666666667 0.96857297252339 0.87500000000000 107.868 > 31 47 Ag 0.50000000000000 0.96857297252339 0.87500000000000 107.868 > 31 48 Ag 0.83333333333333 0.96857297252339 0.87500000000000 107.868 > 31 49 Te 0.00000000000000 0.35976983770789 0.47486850626518 127.600 > 49 50 Te 0.33333333333333 0.35976983770789 0.47486850626518 127.600 > 49 51 Te 0.66666666666667 0.35976983770789 0.47486850626518 127.600 > 49 52 Te 0.00000000000000 0.35976983770789 0.97486850626518 127.600 > 49 53 Te 0.33333333333333 0.35976983770789 0.97486850626518 127.600 > 49 54 Te 0.66666666666667 0.35976983770789 0.97486850626518 127.600 > 49 55 Te 0.16666666666667 0.41958666957080 0.12500000000000 127.600 > 55 56 Te 0.50000000000000 0.41958666957080 0.12500000000000 127.600 > 55 57 Te 0.83333333333333 0.41958666957080 0.12500000000000 127.600 > 55 58 Te 0.16666666666667 0.41958666957080 0.62500000000000 127.600 > 55 59 Te 0.50000000000000 0.41958666957080 0.62500000000000 127.600 > 55 60 Te 0.83333333333333 0.41958666957080 0.62500000000000 127.600 > 55 61 Te 0.16666666666667 0.14023016229211 0.22486850626518 127.600 > 61 62 Te 0.50000000000000 0.14023016229211 0.22486850626518 127.600 > 61 63 Te 0.83333333333333 0.14023016229211 0.22486850626518 127.600 > 61 64 Te 0.16666666666667 0.14023016229211 0.72486850626518 127.600 > 61 65 Te 0.50000000000000 0.14023016229211 0.72486850626518 127.600 > 61 66 Te 0.83333333333333 0.14023016229211 0.72486850626518 127.600 > 61 67 Te 0.16666666666667 0.14023016229211 0.02513149373482 127.600 > 67 68 Te 0.50000000000000 0.14023016229211 0.02513149373482 127.600 > 67 69 Te 0.83333333333333 0.14023016229211 0.02513149373482 127.600 > 67 70 Te 0.16666666666667 0.14023016229211 0.52513149373482 127.600 > 67 71 Te 0.50000000000000 0.14023016229211 0.52513149373482 127.600 > 67 72 Te 0.83333333333333 0.14023016229211 0.52513149373482 127.600 > 67 73 Te 0.00000000000000 0.35976983770789 0.27513149373482 127.600 > 73 74 Te 0.33333333333333 0.35976983770789 0.27513149373482 127.600 > 73 75 Te 0.66666666666667 0.35976983770789 0.27513149373482 127.600 > 73 76 Te 0.00000000000000 0.35976983770789 0.77513149373482 127.600 > 73 77 Te 0.33333333333333 0.35976983770789 0.77513149373482 127.600 > 73 78 Te 0.66666666666667 0.35976983770789 0.77513149373482 127.600 > 73 79 Te 0.00000000000000 0.08041333042920 0.37500000000000 127.600 > 79 80 Te 0.33333333333333 0.08041333042920 0.37500000000000 127.600 > 79 81 Te 0.66666666666667 0.08041333042920 0.37500000000000 127.600 > 79 82 Te 0.00000000000000 0.08041333042920 0.87500000000000 127.600 > 79 83 Te 0.33333333333333 0.08041333042920 0.87500000000000 127.600 > 79 84 Te 0.66666666666667 0.08041333042920 0.87500000000000 127.600 > 79 85 Te 0.16666666666667 0.85976983770789 0.47486850626518 127.600 > 49 86 Te 0.50000000000000 0.85976983770789 0.47486850626518 127.600 > 49 87 Te 0.83333333333333 0.85976983770789 0.47486850626518 127.600 > 49 88 Te 0.16666666666667 0.85976983770789 0.97486850626518 127.600 > 49 89 Te 0.50000000000000 0.85976983770789 0.97486850626518 127.600 > 49 90 Te 0.83333333333333 0.85976983770789 0.97486850626518 127.600 > 49 91 Te 0.00000000000000 0.91958666957080 0.12500000000000 127.600 > 55 92 Te 0.33333333333333 0.91958666957080 0.12500000000000 127.600 > 55 93 Te 0.66666666666667 0.91958666957080 0.12500000000000 127.600 > 55 94 Te 0.00000000000000 0.91958666957080 0.62500000000000 127.600 > 55 95 Te 0.33333333333333 0.91958666957080 0.62500000000000 127.600 > 55 96 Te 0.66666666666667 0.91958666957080 0.62500000000000 127.600 > 55 97 Te 0.00000000000000 0.64023016229211 0.22486850626518 127.600 > 61 98 Te 0.33333333333333 0.64023016229211 0.22486850626518 127.600 > 61 99 Te 0.66666666666667 0.64023016229211 0.22486850626518 127.600 > 61 100 Te 0.00000000000000 0.64023016229211 0.72486850626518 127.600 > 61 101 Te 0.33333333333333 0.64023016229211 0.72486850626518 127.600 > 61 102 Te 0.66666666666667 0.64023016229211 0.72486850626518 127.600 > 61 103 Te 0.00000000000000 0.64023016229211 0.02513149373482 127.600 > 67 104 Te 0.33333333333333 0.64023016229211 0.02513149373482 127.600 > 67 105 Te 0.66666666666667 0.64023016229211 0.02513149373482 127.600 > 67 106 Te 0.00000000000000 0.64023016229211 0.52513149373482 127.600 > 67 107 Te 0.33333333333333 0.64023016229211 0.52513149373482 127.600 > 67 108 Te 0.66666666666667 0.64023016229211 0.52513149373482 127.600 > 67 109 Te 0.16666666666667 0.85976983770789 0.27513149373482 127.600 > 73 110 Te 0.50000000000000 0.85976983770789 0.27513149373482 127.600 > 73 111 Te 0.83333333333333 0.85976983770789 0.27513149373482 127.600 > 73 112 Te 0.16666666666667 0.85976983770789 0.77513149373482 127.600 > 73 113 Te 0.50000000000000 0.85976983770789 0.77513149373482 127.600 > 73 114 Te 0.83333333333333 0.85976983770789 0.77513149373482 127.600 > 73 115 Te 0.16666666666667 0.58041333042920 0.37500000000000 127.600 > 79 116 Te 0.50000000000000 0.58041333042920 0.37500000000000 127.600 > 79 117 Te 0.83333333333333 0.58041333042920 0.37500000000000 127.600 > 79 118 Te 0.16666666666667 0.58041333042920 0.87500000000000 127.600 > 79 119 Te 0.50000000000000 0.58041333042920 0.87500000000000 127.600 > 79 120 Te 0.83333333333333 0.58041333042920 0.87500000000000 127.600 > 79 121 Ba 0.00000000000000 0.24380981224936 0.12500000000000 137.327 > 121 122 Ba 0.33333333333333 0.24380981224936 0.12500000000000 137.327 > 121 123 Ba 0.66666666666667 0.24380981224936 0.12500000000000 137.327 > 121 124 Ba 0.00000000000000 0.24380981224936 0.62500000000000 137.327 > 121 125 Ba 0.33333333333333 0.24380981224936 0.62500000000000 137.327 > 121 126 Ba 0.66666666666667 0.24380981224936 0.62500000000000 137.327 > 121 127 Ba 0.16666666666667 0.25619018775064 0.37500000000000 137.327 > 127 128 Ba 0.50000000000000 0.25619018775064 0.37500000000000 137.327 > 127 129 Ba 0.83333333333333 0.25619018775064 0.37500000000000 137.327 > 127 130 Ba 0.16666666666667 0.25619018775064 0.87500000000000 137.327 > 127 131 Ba 0.50000000000000 0.25619018775064 0.87500000000000 137.327 > 127 132 Ba 0.83333333333333 0.25619018775064 0.87500000000000 137.327 > 127 133 Ba 0.16666666666667 0.74380981224936 0.12500000000000 137.327 > 121 134 Ba 0.50000000000000 0.74380981224936 0.12500000000000 137.327 > 121 135 Ba 0.83333333333333 0.74380981224936 0.12500000000000 137.327 > 121 136 Ba 0.16666666666667 0.74380981224936 0.62500000000000 137.327 > 121 137 Ba 0.50000000000000 0.74380981224936 0.62500000000000 137.327 > 121 138 Ba 0.83333333333333 0.74380981224936 0.62500000000000 137.327 > 121 139 Ba 0.00000000000000 0.75619018775064 0.37500000000000 137.327 > 127 140 Ba 0.33333333333333 0.75619018775064 0.37500000000000 137.327 > 127 141 Ba 0.66666666666667 0.75619018775064 0.37500000000000 137.327 > 127 142 Ba 0.00000000000000 0.75619018775064 0.87500000000000 137.327 > 127 143 Ba 0.33333333333333 0.75619018775064 0.87500000000000 137.327 > 127 144 Ba 0.66666666666667 0.75619018775064 0.87500000000000 137.327 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.3986753 0.0000000 0.0000000 0.0000000 8.8412756 0.0000000 0.0000000 0.0000000 10.3864506 -------------------------- Born effective charges -------------------------- 1 Y 5.1116856 0.0000000 0.0000000 0.0000000 2.5458998 0.1569570 0.0000000 0.0451113 4.5986570 2 Y 5.1116856 0.0000000 0.0000000 0.0000000 2.5458998 -0.1569570 0.0000000 -0.0451113 4.5986570 3 Ag 0.7211005 0.0000000 0.0000000 0.0000000 0.4576704 0.0000000 0.0000000 0.0000000 0.6663400 4 Ag 0.7211005 0.0000000 0.0000000 0.0000000 0.4576704 0.0000000 0.0000000 0.0000000 0.6663400 5 Te -3.3822005 0.0000000 0.0000000 0.0000000 -2.2273452 -0.2211944 0.0000000 -0.3151208 -2.3031120 6 Te -1.9314516 0.0000000 0.0000000 0.0000000 -2.0925352 0.0000000 0.0000000 0.0000000 -3.5122351 7 Te -3.3822005 0.0000000 0.0000000 0.0000000 -2.2273452 0.2211944 0.0000000 0.3151208 -2.3031120 8 Te -3.3822005 0.0000000 0.0000000 0.0000000 -2.2273452 -0.2211944 0.0000000 -0.3151208 -2.3031120 9 Te -3.3822005 0.0000000 0.0000000 0.0000000 -2.2273452 0.2211944 0.0000000 0.3151208 -2.3031120 10 Te -1.9314516 0.0000000 0.0000000 0.0000000 -2.0925352 0.0000000 0.0000000 0.0000000 -3.5122351 11 Ba 2.8630665 0.0000000 0.0000000 0.0000000 3.5436554 0.0000000 0.0000000 0.0000000 2.8534622 12 Ba 2.8630665 0.0000000 0.0000000 0.0000000 3.5436554 0.0000000 0.0000000 0.0000000 2.8534622 ---------------------------------------------------------------------------- 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 (yz) -0.00000000 (yz) 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 23:41:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:41:01]------------------------- 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 2.235507600000000 -7.387493335000002 0.000000000000000 b 2.235507600000000 7.387493335000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.282076360000000 Atomic positions (fractional): 1 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 2 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 3 Ag 0.46857297252339 0.53142702747661 0.25000000000000 107.868 4 Ag 0.53142702747661 0.46857297252339 0.75000000000000 107.868 5 Te 0.64023016229211 0.35976983770789 0.94973701253037 127.600 6 Te 0.08041333042920 0.91958666957080 0.25000000000000 127.600 7 Te 0.35976983770789 0.64023016229211 0.44973701253037 127.600 8 Te 0.35976983770789 0.64023016229211 0.05026298746963 127.600 9 Te 0.64023016229211 0.35976983770789 0.55026298746963 127.600 10 Te 0.91958666957080 0.08041333042920 0.75000000000000 127.600 11 Ba 0.75619018775064 0.24380981224936 0.25000000000000 137.327 12 Ba 0.24380981224936 0.75619018775064 0.75000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.413045600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.774986670000004 0.000000000000000 c 0.000000000000000 0.000000000000000 22.564152719999999 Atomic positions (fractional): 1 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 1 2 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 1 3 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 1 4 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 1 5 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 1 6 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 1 7 Y 0.00000000000000 0.00000000000000 0.25000000000000 88.906 > 7 8 Y 0.33333333333333 0.00000000000000 0.25000000000000 88.906 > 7 9 Y 0.66666666666667 0.00000000000000 0.25000000000000 88.906 > 7 10 Y 0.00000000000000 0.00000000000000 0.75000000000000 88.906 > 7 11 Y 0.33333333333333 0.00000000000000 0.75000000000000 88.906 > 7 12 Y 0.66666666666667 0.00000000000000 0.75000000000000 88.906 > 7 13 Y 0.16666666666667 0.50000000000000 0.00000000000000 88.906 > 1 14 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 1 15 Y 0.83333333333333 0.50000000000000 0.00000000000000 88.906 > 1 16 Y 0.16666666666667 0.50000000000000 0.50000000000000 88.906 > 1 17 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 1 18 Y 0.83333333333333 0.50000000000000 0.50000000000000 88.906 > 1 19 Y 0.16666666666667 0.50000000000000 0.25000000000000 88.906 > 7 20 Y 0.50000000000000 0.50000000000000 0.25000000000000 88.906 > 7 21 Y 0.83333333333333 0.50000000000000 0.25000000000000 88.906 > 7 22 Y 0.16666666666667 0.50000000000000 0.75000000000000 88.906 > 7 23 Y 0.50000000000000 0.50000000000000 0.75000000000000 88.906 > 7 24 Y 0.83333333333333 0.50000000000000 0.75000000000000 88.906 > 7 25 Ag 0.16666666666667 0.03142702747661 0.12500000000000 107.868 > 25 26 Ag 0.50000000000000 0.03142702747661 0.12500000000000 107.868 > 25 27 Ag 0.83333333333333 0.03142702747661 0.12500000000000 107.868 > 25 28 Ag 0.16666666666667 0.03142702747661 0.62500000000000 107.868 > 25 29 Ag 0.50000000000000 0.03142702747661 0.62500000000000 107.868 > 25 30 Ag 0.83333333333333 0.03142702747661 0.62500000000000 107.868 > 25 31 Ag 0.00000000000000 0.46857297252339 0.37500000000000 107.868 > 31 32 Ag 0.33333333333333 0.46857297252339 0.37500000000000 107.868 > 31 33 Ag 0.66666666666667 0.46857297252339 0.37500000000000 107.868 > 31 34 Ag 0.00000000000000 0.46857297252339 0.87500000000000 107.868 > 31 35 Ag 0.33333333333333 0.46857297252339 0.87500000000000 107.868 > 31 36 Ag 0.66666666666667 0.46857297252339 0.87500000000000 107.868 > 31 37 Ag 0.00000000000000 0.53142702747661 0.12500000000000 107.868 > 25 38 Ag 0.33333333333333 0.53142702747661 0.12500000000000 107.868 > 25 39 Ag 0.66666666666667 0.53142702747661 0.12500000000000 107.868 > 25 40 Ag 0.00000000000000 0.53142702747661 0.62500000000000 107.868 > 25 41 Ag 0.33333333333333 0.53142702747661 0.62500000000000 107.868 > 25 42 Ag 0.66666666666667 0.53142702747661 0.62500000000000 107.868 > 25 43 Ag 0.16666666666667 0.96857297252339 0.37500000000000 107.868 > 31 44 Ag 0.50000000000000 0.96857297252339 0.37500000000000 107.868 > 31 45 Ag 0.83333333333333 0.96857297252339 0.37500000000000 107.868 > 31 46 Ag 0.16666666666667 0.96857297252339 0.87500000000000 107.868 > 31 47 Ag 0.50000000000000 0.96857297252339 0.87500000000000 107.868 > 31 48 Ag 0.83333333333333 0.96857297252339 0.87500000000000 107.868 > 31 49 Te 0.00000000000000 0.35976983770789 0.47486850626518 127.600 > 49 50 Te 0.33333333333333 0.35976983770789 0.47486850626518 127.600 > 49 51 Te 0.66666666666667 0.35976983770789 0.47486850626518 127.600 > 49 52 Te 0.00000000000000 0.35976983770789 0.97486850626518 127.600 > 49 53 Te 0.33333333333333 0.35976983770789 0.97486850626518 127.600 > 49 54 Te 0.66666666666667 0.35976983770789 0.97486850626518 127.600 > 49 55 Te 0.16666666666667 0.41958666957080 0.12500000000000 127.600 > 55 56 Te 0.50000000000000 0.41958666957080 0.12500000000000 127.600 > 55 57 Te 0.83333333333333 0.41958666957080 0.12500000000000 127.600 > 55 58 Te 0.16666666666667 0.41958666957080 0.62500000000000 127.600 > 55 59 Te 0.50000000000000 0.41958666957080 0.62500000000000 127.600 > 55 60 Te 0.83333333333333 0.41958666957080 0.62500000000000 127.600 > 55 61 Te 0.16666666666667 0.14023016229211 0.22486850626518 127.600 > 61 62 Te 0.50000000000000 0.14023016229211 0.22486850626518 127.600 > 61 63 Te 0.83333333333333 0.14023016229211 0.22486850626518 127.600 > 61 64 Te 0.16666666666667 0.14023016229211 0.72486850626518 127.600 > 61 65 Te 0.50000000000000 0.14023016229211 0.72486850626518 127.600 > 61 66 Te 0.83333333333333 0.14023016229211 0.72486850626518 127.600 > 61 67 Te 0.16666666666667 0.14023016229211 0.02513149373482 127.600 > 67 68 Te 0.50000000000000 0.14023016229211 0.02513149373482 127.600 > 67 69 Te 0.83333333333333 0.14023016229211 0.02513149373482 127.600 > 67 70 Te 0.16666666666667 0.14023016229211 0.52513149373482 127.600 > 67 71 Te 0.50000000000000 0.14023016229211 0.52513149373482 127.600 > 67 72 Te 0.83333333333333 0.14023016229211 0.52513149373482 127.600 > 67 73 Te 0.00000000000000 0.35976983770789 0.27513149373482 127.600 > 73 74 Te 0.33333333333333 0.35976983770789 0.27513149373482 127.600 > 73 75 Te 0.66666666666667 0.35976983770789 0.27513149373482 127.600 > 73 76 Te 0.00000000000000 0.35976983770789 0.77513149373482 127.600 > 73 77 Te 0.33333333333333 0.35976983770789 0.77513149373482 127.600 > 73 78 Te 0.66666666666667 0.35976983770789 0.77513149373482 127.600 > 73 79 Te 0.00000000000000 0.08041333042920 0.37500000000000 127.600 > 79 80 Te 0.33333333333333 0.08041333042920 0.37500000000000 127.600 > 79 81 Te 0.66666666666667 0.08041333042920 0.37500000000000 127.600 > 79 82 Te 0.00000000000000 0.08041333042920 0.87500000000000 127.600 > 79 83 Te 0.33333333333333 0.08041333042920 0.87500000000000 127.600 > 79 84 Te 0.66666666666667 0.08041333042920 0.87500000000000 127.600 > 79 85 Te 0.16666666666667 0.85976983770789 0.47486850626518 127.600 > 49 86 Te 0.50000000000000 0.85976983770789 0.47486850626518 127.600 > 49 87 Te 0.83333333333333 0.85976983770789 0.47486850626518 127.600 > 49 88 Te 0.16666666666667 0.85976983770789 0.97486850626518 127.600 > 49 89 Te 0.50000000000000 0.85976983770789 0.97486850626518 127.600 > 49 90 Te 0.83333333333333 0.85976983770789 0.97486850626518 127.600 > 49 91 Te 0.00000000000000 0.91958666957080 0.12500000000000 127.600 > 55 92 Te 0.33333333333333 0.91958666957080 0.12500000000000 127.600 > 55 93 Te 0.66666666666667 0.91958666957080 0.12500000000000 127.600 > 55 94 Te 0.00000000000000 0.91958666957080 0.62500000000000 127.600 > 55 95 Te 0.33333333333333 0.91958666957080 0.62500000000000 127.600 > 55 96 Te 0.66666666666667 0.91958666957080 0.62500000000000 127.600 > 55 97 Te 0.00000000000000 0.64023016229211 0.22486850626518 127.600 > 61 98 Te 0.33333333333333 0.64023016229211 0.22486850626518 127.600 > 61 99 Te 0.66666666666667 0.64023016229211 0.22486850626518 127.600 > 61 100 Te 0.00000000000000 0.64023016229211 0.72486850626518 127.600 > 61 101 Te 0.33333333333333 0.64023016229211 0.72486850626518 127.600 > 61 102 Te 0.66666666666667 0.64023016229211 0.72486850626518 127.600 > 61 103 Te 0.00000000000000 0.64023016229211 0.02513149373482 127.600 > 67 104 Te 0.33333333333333 0.64023016229211 0.02513149373482 127.600 > 67 105 Te 0.66666666666667 0.64023016229211 0.02513149373482 127.600 > 67 106 Te 0.00000000000000 0.64023016229211 0.52513149373482 127.600 > 67 107 Te 0.33333333333333 0.64023016229211 0.52513149373482 127.600 > 67 108 Te 0.66666666666667 0.64023016229211 0.52513149373482 127.600 > 67 109 Te 0.16666666666667 0.85976983770789 0.27513149373482 127.600 > 73 110 Te 0.50000000000000 0.85976983770789 0.27513149373482 127.600 > 73 111 Te 0.83333333333333 0.85976983770789 0.27513149373482 127.600 > 73 112 Te 0.16666666666667 0.85976983770789 0.77513149373482 127.600 > 73 113 Te 0.50000000000000 0.85976983770789 0.77513149373482 127.600 > 73 114 Te 0.83333333333333 0.85976983770789 0.77513149373482 127.600 > 73 115 Te 0.16666666666667 0.58041333042920 0.37500000000000 127.600 > 79 116 Te 0.50000000000000 0.58041333042920 0.37500000000000 127.600 > 79 117 Te 0.83333333333333 0.58041333042920 0.37500000000000 127.600 > 79 118 Te 0.16666666666667 0.58041333042920 0.87500000000000 127.600 > 79 119 Te 0.50000000000000 0.58041333042920 0.87500000000000 127.600 > 79 120 Te 0.83333333333333 0.58041333042920 0.87500000000000 127.600 > 79 121 Ba 0.00000000000000 0.24380981224936 0.12500000000000 137.327 > 121 122 Ba 0.33333333333333 0.24380981224936 0.12500000000000 137.327 > 121 123 Ba 0.66666666666667 0.24380981224936 0.12500000000000 137.327 > 121 124 Ba 0.00000000000000 0.24380981224936 0.62500000000000 137.327 > 121 125 Ba 0.33333333333333 0.24380981224936 0.62500000000000 137.327 > 121 126 Ba 0.66666666666667 0.24380981224936 0.62500000000000 137.327 > 121 127 Ba 0.16666666666667 0.25619018775064 0.37500000000000 137.327 > 127 128 Ba 0.50000000000000 0.25619018775064 0.37500000000000 137.327 > 127 129 Ba 0.83333333333333 0.25619018775064 0.37500000000000 137.327 > 127 130 Ba 0.16666666666667 0.25619018775064 0.87500000000000 137.327 > 127 131 Ba 0.50000000000000 0.25619018775064 0.87500000000000 137.327 > 127 132 Ba 0.83333333333333 0.25619018775064 0.87500000000000 137.327 > 127 133 Ba 0.16666666666667 0.74380981224936 0.12500000000000 137.327 > 121 134 Ba 0.50000000000000 0.74380981224936 0.12500000000000 137.327 > 121 135 Ba 0.83333333333333 0.74380981224936 0.12500000000000 137.327 > 121 136 Ba 0.16666666666667 0.74380981224936 0.62500000000000 137.327 > 121 137 Ba 0.50000000000000 0.74380981224936 0.62500000000000 137.327 > 121 138 Ba 0.83333333333333 0.74380981224936 0.62500000000000 137.327 > 121 139 Ba 0.00000000000000 0.75619018775064 0.37500000000000 137.327 > 127 140 Ba 0.33333333333333 0.75619018775064 0.37500000000000 137.327 > 127 141 Ba 0.66666666666667 0.75619018775064 0.37500000000000 137.327 > 127 142 Ba 0.00000000000000 0.75619018775064 0.87500000000000 137.327 > 127 143 Ba 0.33333333333333 0.75619018775064 0.87500000000000 137.327 > 127 144 Ba 0.66666666666667 0.75619018775064 0.87500000000000 137.327 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.3986753 0.0000000 0.0000000 0.0000000 8.8412756 0.0000000 0.0000000 0.0000000 10.3864506 -------------------------- Born effective charges -------------------------- 1 Y 5.1116856 0.0000000 0.0000000 0.0000000 2.5458998 0.1569570 0.0000000 0.0451113 4.5986570 2 Y 5.1116856 0.0000000 0.0000000 0.0000000 2.5458998 -0.1569570 0.0000000 -0.0451113 4.5986570 3 Ag 0.7211005 0.0000000 0.0000000 0.0000000 0.4576704 0.0000000 0.0000000 0.0000000 0.6663400 4 Ag 0.7211005 0.0000000 0.0000000 0.0000000 0.4576704 0.0000000 0.0000000 0.0000000 0.6663400 5 Te -3.3822005 0.0000000 0.0000000 0.0000000 -2.2273452 -0.2211944 0.0000000 -0.3151208 -2.3031120 6 Te -1.9314516 0.0000000 0.0000000 0.0000000 -2.0925352 0.0000000 0.0000000 0.0000000 -3.5122351 7 Te -3.3822005 0.0000000 0.0000000 0.0000000 -2.2273452 0.2211944 0.0000000 0.3151208 -2.3031120 8 Te -3.3822005 0.0000000 0.0000000 0.0000000 -2.2273452 -0.2211944 0.0000000 -0.3151208 -2.3031120 9 Te -3.3822005 0.0000000 0.0000000 0.0000000 -2.2273452 0.2211944 0.0000000 0.3151208 -2.3031120 10 Te -1.9314516 0.0000000 0.0000000 0.0000000 -2.0925352 0.0000000 0.0000000 0.0000000 -3.5122351 11 Ba 2.8630665 0.0000000 0.0000000 0.0000000 3.5436554 0.0000000 0.0000000 0.0000000 2.8534622 12 Ba 2.8630665 0.0000000 0.0000000 0.0000000 3.5436554 0.0000000 0.0000000 0.0000000 2.8534622 ---------------------------------------------------------------------------- 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 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.19 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: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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 0.937 ( 0.000 0.000 0.000) 0.000 1.154 ( 0.000 0.000 0.000) 0.000 1.257 ( 0.000 0.000 0.000) 0.000 1.347 ( 0.000 0.000 0.000) 0.000 1.483 ( 0.000 0.000 0.000) 0.000 1.513 ( 0.000 0.000 0.000) 0.000 1.580 ( 0.000 0.000 0.000) 0.000 1.906 ( 0.000 0.000 0.000) 0.000 2.026 ( 0.000 0.000 0.000) 0.000 2.059 ( 0.000 0.000 0.000) 0.000 2.191 ( 0.000 0.000 0.000) 0.000 2.438 ( 0.000 0.000 0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 2.690 ( 0.000 0.000 0.000) 0.000 2.977 ( 0.000 0.000 0.000) 0.000 3.076 ( 0.000 0.000 0.000) 0.000 3.082 ( 0.000 0.000 0.000) 0.000 3.170 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.497 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.711 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 3.840 ( 0.000 0.000 0.000) 0.000 3.989 ( 0.000 0.000 0.000) 0.000 4.014 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.100 ( 0.000 0.000 0.000) 0.000 4.243 ( 0.000 0.000 0.000) 0.000 4.496 ( 0.000 0.000 0.000) 0.000 4.644 ( 0.000 0.000 0.000) 0.000 4.842 ( 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: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.339 ( 17.085 -2.326 0.000) 17.243 0.380 ( 23.211 9.546 0.000) 25.097 0.655 ( 29.203 -16.077 0.000) 33.336 0.998 ( 6.018 -0.827 0.000) 6.074 1.205 ( 5.543 2.379 0.000) 6.032 1.274 ( 1.830 -1.001 0.000) 2.086 1.285 ( -4.925 0.524 0.000) 4.953 1.520 ( 1.471 1.424 0.000) 2.047 1.538 ( 5.718 1.692 0.000) 5.963 1.578 ( -0.775 -0.264 0.000) 0.819 1.881 ( -7.548 1.970 0.000) 7.801 2.002 ( 9.594 0.457 0.000) 9.604 2.163 ( 3.843 4.361 0.000) 5.813 2.219 ( 2.790 -5.298 0.000) 5.988 2.390 ( -6.176 -0.263 0.000) 6.182 2.443 ( 0.425 1.056 0.000) 1.138 2.504 ( 2.282 -4.648 0.000) 5.178 2.739 ( 4.227 0.325 0.000) 4.239 2.947 ( -2.698 -0.258 0.000) 2.710 2.988 ( -3.798 0.202 0.000) 3.803 3.236 ( 9.467 0.017 0.000) 9.467 3.265 ( -2.113 0.311 0.000) 2.136 3.531 ( 3.072 -0.735 0.000) 3.159 3.672 ( 0.232 0.945 0.000) 0.973 3.705 ( -0.451 -0.114 0.000) 0.465 3.705 ( -1.235 -0.396 0.000) 1.297 3.811 ( -0.987 1.977 0.000) 2.209 3.946 ( 0.998 0.163 0.000) 1.012 3.984 ( 1.986 1.911 0.000) 2.757 4.041 ( 2.474 -0.534 0.000) 2.531 4.113 ( 1.937 1.131 0.000) 2.243 4.240 ( -0.447 -0.193 0.000) 0.486 4.458 ( -4.374 -1.523 0.000) 4.632 4.526 ( -0.024 16.508 0.000) 16.508 4.695 ( 1.592 12.864 0.000) 12.963 4.909 ( -7.867 -16.517 0.000) 18.294 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.655 ( 15.289 -2.240 0.000) 15.452 0.754 ( 22.498 9.704 0.000) 24.502 1.139 ( 6.981 1.089 0.000) 7.065 1.202 ( 15.519 -7.789 0.000) 17.364 1.232 ( 1.691 -1.267 0.000) 2.113 1.314 ( 8.648 0.496 0.000) 8.662 1.357 ( 7.824 -2.367 0.000) 8.174 1.535 ( -0.403 1.822 0.000) 1.866 1.571 ( 1.494 -0.849 0.000) 1.719 1.644 ( 6.449 3.022 0.000) 7.122 1.765 ( -2.809 -1.012 0.000) 2.985 2.203 ( 2.990 -0.264 0.000) 3.002 2.208 ( 6.564 2.693 0.000) 7.095 2.272 ( -0.841 -2.308 0.000) 2.456 2.281 ( 1.056 1.650 0.000) 1.959 2.444 ( 0.818 0.319 0.000) 0.878 2.607 ( 6.275 -1.925 0.000) 6.564 2.813 ( 3.565 0.550 0.000) 3.607 2.906 ( -2.378 -3.252 0.000) 4.029 2.912 ( -4.675 0.379 0.000) 4.690 3.218 ( -2.587 -0.474 0.000) 2.631 3.376 ( 4.357 -0.425 0.000) 4.378 3.600 ( 3.736 -0.197 0.000) 3.741 3.669 ( -2.442 -0.382 0.000) 2.471 3.696 ( -0.609 -0.431 0.000) 0.746 3.702 ( 3.250 0.738 0.000) 3.332 3.798 ( 0.508 1.367 0.000) 1.459 3.911 ( -2.592 0.751 0.000) 2.699 4.059 ( 4.962 1.691 0.000) 5.243 4.092 ( 1.786 -0.826 0.000) 1.968 4.164 ( 4.309 2.869 0.000) 5.177 4.231 ( -0.525 -1.058 0.000) 1.181 4.364 ( -6.097 -1.937 0.000) 6.397 4.372 ( -9.651 1.793 0.000) 9.816 4.657 ( 1.269 10.477 0.000) 10.554 4.846 ( -4.710 -3.873 0.000) 6.098 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.927 ( 12.447 -1.806 0.000) 12.578 1.096 ( 19.526 9.596 0.000) 21.756 1.227 ( 6.367 2.252 0.000) 6.753 1.312 ( 2.842 4.955 0.000) 5.712 1.352 ( 4.528 -2.716 0.000) 5.281 1.415 ( 2.612 -1.012 0.000) 2.801 1.516 ( 0.424 -1.122 0.000) 1.199 1.534 ( 4.022 0.077 0.000) 4.022 1.641 ( 6.039 1.299 0.000) 6.177 1.699 ( 0.650 -2.689 0.000) 2.766 1.888 ( 7.188 -2.585 0.000) 7.639 2.077 ( -9.259 0.058 0.000) 9.260 2.272 ( 2.252 0.886 0.000) 2.420 2.313 ( 10.600 -0.550 0.000) 10.614 2.470 ( -0.529 -3.933 0.000) 3.968 2.495 ( 12.456 0.999 0.000) 12.496 2.746 ( 7.733 -0.816 0.000) 7.776 2.807 ( -4.736 0.311 0.000) 4.746 2.858 ( 0.638 0.110 0.000) 0.648 2.888 ( -2.378 -4.350 0.000) 4.957 3.191 ( -0.353 -0.979 0.000) 1.041 3.422 ( 1.423 -0.680 0.000) 1.577 3.611 ( -4.026 -1.015 0.000) 4.152 3.655 ( 1.254 0.627 0.000) 1.402 3.693 ( 0.775 -0.361 0.000) 0.855 3.760 ( 2.253 0.107 0.000) 2.255 3.790 ( -1.603 0.718 0.000) 1.756 3.879 ( 0.528 1.094 0.000) 1.215 4.013 ( -9.594 -0.815 0.000) 9.629 4.158 ( -3.788 -0.204 0.000) 3.793 4.159 ( 4.775 0.532 0.000) 4.804 4.254 ( -0.721 0.463 0.000) 0.857 4.272 ( -0.180 0.729 0.000) 0.751 4.310 ( 4.484 0.458 0.000) 4.507 4.618 ( -0.601 5.443 0.000) 5.476 4.782 ( -2.816 2.183 0.000) 3.563 ======================= Grid point 4 (5/129) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.135 ( 8.924 -0.888 0.000) 8.968 1.288 ( 0.146 5.831 0.000) 5.833 1.345 ( 3.129 3.489 0.000) 4.687 1.352 ( 9.463 7.519 0.000) 12.086 1.377 ( 2.540 -3.036 0.000) 3.958 1.420 ( -1.211 2.976 0.000) 3.213 1.576 ( 2.978 -3.738 0.000) 4.779 1.595 ( 3.822 1.765 0.000) 4.210 1.744 ( 0.700 0.927 0.000) 1.161 1.753 ( 3.761 -3.359 0.000) 5.043 1.910 ( 0.811 1.351 0.000) 1.576 1.953 ( 0.765 0.838 0.000) 1.134 2.299 ( -1.800 -5.091 0.000) 5.400 2.432 ( -6.191 -4.865 0.000) 7.874 2.544 ( -6.141 2.080 0.000) 6.484 2.660 ( 20.957 -1.670 0.000) 21.024 2.826 ( -5.545 -4.179 0.000) 6.944 2.837 ( -2.565 -0.291 0.000) 2.581 2.855 ( 9.109 -0.439 0.000) 9.120 2.918 ( 8.497 0.375 0.000) 8.505 3.218 ( 2.500 -0.708 0.000) 2.598 3.464 ( 3.127 -0.530 0.000) 3.172 3.540 ( -3.914 -1.106 0.000) 4.067 3.625 ( -3.948 -1.183 0.000) 4.121 3.716 ( -0.442 1.057 0.000) 1.146 3.749 ( -0.436 0.510 0.000) 0.671 3.775 ( -0.679 -0.603 0.000) 0.908 3.847 ( -5.124 -0.786 0.000) 5.184 3.918 ( 2.197 0.904 0.000) 2.375 4.085 ( -3.621 -0.842 0.000) 3.718 4.233 ( 3.142 0.203 0.000) 3.148 4.254 ( -0.522 0.274 0.000) 0.589 4.269 ( 1.361 0.057 0.000) 1.362 4.416 ( 5.446 1.942 0.000) 5.782 4.581 ( -0.765 2.704 0.000) 2.810 4.711 ( -2.954 4.038 0.000) 5.003 ======================= Grid point 5 (6/129) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.191 ( -4.625 7.646 0.000) 8.937 1.245 ( 1.690 0.843 0.000) 1.888 1.341 ( 2.145 -0.186 0.000) 2.153 1.378 ( -0.427 -0.130 0.000) 0.447 1.419 ( 0.611 3.776 0.000) 3.825 1.469 ( 1.689 -1.947 0.000) 2.577 1.636 ( -5.144 -0.295 0.000) 5.152 1.666 ( 4.332 -0.368 0.000) 4.347 1.669 ( 3.705 -0.990 0.000) 3.835 1.857 ( 5.795 1.842 0.000) 6.081 1.992 ( 6.836 0.386 0.000) 6.846 2.090 ( 9.207 1.195 0.000) 9.284 2.270 ( -4.088 -5.927 0.000) 7.199 2.311 ( -7.708 -2.396 0.000) 8.072 2.392 ( -7.222 1.214 0.000) 7.323 2.703 ( -8.114 -2.348 0.000) 8.447 2.760 ( -5.012 -0.691 0.000) 5.059 3.000 ( 13.429 0.167 0.000) 13.430 3.017 ( 6.296 0.071 0.000) 6.296 3.074 ( 7.130 -0.046 0.000) 7.130 3.278 ( 2.890 -1.187 0.000) 3.124 3.486 ( -2.061 -0.582 0.000) 2.142 3.548 ( -4.044 -0.745 0.000) 4.112 3.550 ( 5.554 0.011 0.000) 5.554 3.688 ( -1.131 -1.028 0.000) 1.529 3.744 ( -3.152 -0.938 0.000) 3.288 3.758 ( 0.744 1.429 0.000) 1.611 3.803 ( -0.917 -0.707 0.000) 1.158 3.956 ( 1.978 0.820 0.000) 2.141 4.041 ( -1.554 -0.496 0.000) 1.632 4.247 ( -0.155 0.132 0.000) 0.203 4.272 ( 1.314 0.408 0.000) 1.376 4.290 ( 0.564 -0.615 0.000) 0.835 4.478 ( 2.269 1.255 0.000) 2.593 4.559 ( -0.326 1.532 0.000) 1.567 4.634 ( -2.783 2.709 0.000) 3.884 ======================= Grid point 6 (7/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.113 ( 0.000 -0.000 0.000) 0.000 1.242 ( 0.000 -0.000 0.000) 0.000 1.380 ( 0.000 -0.000 0.000) 0.000 1.388 ( 0.000 -0.000 0.000) 0.000 1.402 ( 0.000 -0.000 0.000) 0.000 1.466 ( 0.000 -0.000 0.000) 0.000 1.581 ( 0.000 -0.000 0.000) 0.000 1.725 ( 0.000 -0.000 0.000) 0.000 1.731 ( 0.000 -0.000 0.000) 0.000 1.899 ( 0.000 -0.000 0.000) 0.000 2.109 ( -0.000 -0.000 0.000) 0.000 2.163 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 -0.000 0.000) 0.000 2.285 ( 0.000 -0.000 0.000) 0.000 2.315 ( 0.000 -0.000 0.000) 0.000 2.615 ( 0.000 -0.000 0.000) 0.000 2.702 ( 0.000 -0.000 0.000) 0.000 3.075 ( 0.000 -0.000 0.000) 0.000 3.131 ( 0.000 -0.000 0.000) 0.000 3.141 ( 0.000 -0.000 0.000) 0.000 3.317 ( 0.000 -0.000 0.000) 0.000 3.468 ( 0.000 -0.000 0.000) 0.000 3.508 ( 0.000 -0.000 0.000) 0.000 3.639 ( -0.000 -0.000 0.000) 0.000 3.683 ( 0.000 -0.000 0.000) 0.000 3.685 ( 0.000 -0.000 0.000) 0.000 3.759 ( 0.000 -0.000 0.000) 0.000 3.798 ( 0.000 0.000 0.000) 0.000 3.974 ( 0.000 -0.000 0.000) 0.000 4.029 ( 0.000 0.000 0.000) 0.000 4.245 ( 0.000 -0.000 0.000) 0.000 4.283 ( 0.000 -0.000 0.000) 0.000 4.296 ( 0.000 -0.000 0.000) 0.000 4.494 ( 0.000 -0.000 0.000) 0.000 4.551 ( 0.000 -0.000 0.000) 0.000 4.597 ( 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: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.642 ( 15.679 -0.000 0.000) 15.679 0.827 ( 21.585 -0.000 0.000) 21.585 1.132 ( 22.615 -0.000 0.000) 22.615 1.146 ( 9.372 -0.000 0.000) 9.372 1.223 ( -0.933 0.000 0.000) 0.933 1.324 ( 5.530 -0.000 0.000) 5.530 1.345 ( 7.388 -0.000 0.000) 7.388 1.549 ( -2.100 0.000 0.000) 2.100 1.563 ( 3.123 -0.000 0.000) 3.123 1.664 ( 7.387 -0.000 0.000) 7.387 1.757 ( -5.937 0.000 0.000) 5.937 2.200 ( 2.327 -0.000 0.000) 2.327 2.233 ( 14.255 -0.000 0.000) 14.255 2.249 ( -8.536 0.000 0.000) 8.536 2.289 ( 3.161 -0.000 0.000) 3.161 2.449 ( -0.449 0.000 0.000) 0.449 2.596 ( 7.196 -0.000 0.000) 7.196 2.816 ( 3.550 -0.000 0.000) 3.550 2.885 ( -3.090 0.000 0.000) 3.090 2.914 ( -4.733 0.000 0.000) 4.733 3.216 ( -2.757 0.000 0.000) 2.757 3.373 ( 4.271 -0.000 0.000) 4.271 3.599 ( 4.100 -0.000 0.000) 4.100 3.667 ( -2.747 0.000 0.000) 2.747 3.693 ( -0.586 0.000 0.000) 0.586 3.706 ( 3.228 -0.000 0.000) 3.228 3.806 ( 0.148 -0.000 0.000) 0.148 3.915 ( -2.546 0.000 0.000) 2.546 4.072 ( 5.206 -0.000 0.000) 5.206 4.084 ( 1.198 -0.000 0.000) 1.198 4.185 ( 5.545 -0.000 0.000) 5.545 4.221 ( -1.817 0.000 0.000) 1.817 4.353 ( -5.703 0.000 0.000) 5.703 4.382 ( -11.160 0.000 0.000) 11.160 4.738 ( -4.359 0.000 0.000) 4.359 4.805 ( 0.780 -0.000 0.000) 0.780 ======================= Grid point 15 (9/129) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.913 ( 12.959 -0.637 0.000) 12.975 1.189 ( 18.417 5.532 0.000) 19.230 1.255 ( 5.245 2.173 0.000) 5.677 1.319 ( 6.606 -2.440 0.000) 7.042 1.344 ( 3.865 0.677 0.000) 3.924 1.404 ( 2.928 -0.650 0.000) 2.999 1.508 ( -1.776 -0.349 0.000) 1.810 1.530 ( 6.876 -0.442 0.000) 6.890 1.652 ( 6.684 0.501 0.000) 6.702 1.676 ( -2.016 -1.070 0.000) 2.282 1.862 ( 10.997 -1.476 0.000) 11.096 2.078 ( -9.415 0.072 0.000) 9.415 2.293 ( -0.262 1.993 0.000) 2.011 2.307 ( 9.128 -0.500 0.000) 9.142 2.434 ( -1.618 -2.015 0.000) 2.584 2.502 ( 13.162 0.276 0.000) 13.165 2.736 ( 7.091 -0.680 0.000) 7.124 2.810 ( -5.431 0.173 0.000) 5.433 2.854 ( -0.715 -1.565 0.000) 1.720 2.859 ( 0.658 0.020 0.000) 0.658 3.184 ( -0.279 -0.370 0.000) 0.464 3.416 ( 1.468 -0.254 0.000) 1.490 3.603 ( -4.088 -0.380 0.000) 4.105 3.660 ( 0.515 0.157 0.000) 0.538 3.691 ( 1.738 -0.085 0.000) 1.740 3.761 ( 1.889 0.049 0.000) 1.889 3.796 ( -2.081 0.258 0.000) 2.097 3.888 ( 0.718 0.483 0.000) 0.865 4.006 ( -9.868 -0.314 0.000) 9.873 4.157 ( -4.680 -0.075 0.000) 4.681 4.164 ( 4.544 0.233 0.000) 4.549 4.257 ( -0.839 0.131 0.000) 0.849 4.278 ( -1.799 0.263 0.000) 1.818 4.314 ( 7.264 0.172 0.000) 7.266 4.656 ( -3.337 1.596 0.000) 3.699 4.803 ( -1.072 1.208 0.000) 1.615 ======================= Grid point 16 (10/129) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.128 ( 9.624 -0.436 0.000) 9.634 1.337 ( -0.985 2.997 0.000) 3.155 1.351 ( 1.861 -1.638 0.000) 2.479 1.383 ( 2.971 2.998 0.000) 4.221 1.406 ( 3.417 1.463 0.000) 3.717 1.449 ( 3.069 2.744 0.000) 4.116 1.534 ( 3.874 -3.313 0.000) 5.098 1.623 ( 4.388 2.706 0.000) 5.155 1.728 ( 7.236 -1.191 0.000) 7.334 1.752 ( -0.617 0.493 0.000) 0.789 1.939 ( 0.844 3.269 0.000) 3.376 1.961 ( 1.692 0.557 0.000) 1.781 2.236 ( -4.769 -5.424 0.000) 7.222 2.386 ( -5.320 -3.079 0.000) 6.147 2.563 ( -6.664 1.163 0.000) 6.765 2.643 ( 21.543 -1.156 0.000) 21.574 2.786 ( -3.958 -2.627 0.000) 4.750 2.834 ( -3.078 -0.159 0.000) 3.082 2.851 ( 9.789 -0.282 0.000) 9.793 2.921 ( 7.668 0.148 0.000) 7.670 3.214 ( 3.067 -0.087 0.000) 3.068 3.459 ( 3.346 -0.323 0.000) 3.361 3.530 ( -3.701 -0.638 0.000) 3.756 3.614 ( -4.356 -0.717 0.000) 4.415 3.727 ( -2.035 0.962 0.000) 2.251 3.751 ( 1.153 -0.181 0.000) 1.167 3.770 ( -0.900 -0.332 0.000) 0.959 3.840 ( -5.693 -0.319 0.000) 5.701 3.926 ( 2.552 0.537 0.000) 2.608 4.078 ( -3.465 -0.431 0.000) 3.491 4.234 ( 2.958 -0.009 0.000) 2.958 4.256 ( -0.590 0.164 0.000) 0.612 4.271 ( 1.208 0.210 0.000) 1.227 4.433 ( 5.199 1.059 0.000) 5.306 4.600 ( -1.919 0.978 0.000) 2.154 4.751 ( -3.163 2.782 0.000) 4.212 ======================= Grid point 17 (11/129) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.258 ( 2.997 1.307 0.000) 3.269 1.268 ( -4.524 4.801 0.000) 6.597 1.334 ( 0.457 -0.939 0.000) 1.044 1.382 ( -2.349 1.383 0.000) 2.726 1.448 ( 1.920 -1.497 0.000) 2.434 1.460 ( -0.286 3.543 0.000) 3.554 1.635 ( -4.072 0.169 0.000) 4.075 1.658 ( 4.020 -0.895 0.000) 4.118 1.664 ( 2.824 0.372 0.000) 2.849 1.873 ( 4.686 0.337 0.000) 4.698 2.006 ( 8.000 1.922 0.000) 8.227 2.102 ( 8.829 0.870 0.000) 8.871 2.189 ( -3.953 -6.950 0.000) 7.995 2.287 ( -5.340 -2.333 0.000) 5.827 2.404 ( -7.824 0.885 0.000) 7.873 2.683 ( -6.691 -1.159 0.000) 6.790 2.752 ( -4.973 -0.534 0.000) 5.002 3.004 ( 14.229 0.590 0.000) 14.242 3.017 ( 6.327 0.013 0.000) 6.327 3.065 ( 7.263 -1.333 0.000) 7.384 3.274 ( 2.736 0.250 0.000) 2.748 3.481 ( -1.700 -0.352 0.000) 1.736 3.541 ( -3.297 -0.577 0.000) 3.347 3.550 ( 5.974 -0.024 0.000) 5.974 3.677 ( -1.748 -0.851 0.000) 1.945 3.734 ( -3.167 -0.689 0.000) 3.242 3.768 ( -0.677 0.445 0.000) 0.811 3.798 ( 0.497 -0.095 0.000) 0.506 3.964 ( 1.609 0.627 0.000) 1.727 4.036 ( -1.328 -0.363 0.000) 1.377 4.248 ( -0.221 0.123 0.000) 0.253 4.274 ( 1.368 -0.057 0.000) 1.369 4.286 ( 0.429 -0.059 0.000) 0.433 4.490 ( 1.658 0.882 0.000) 1.878 4.571 ( -0.790 0.711 0.000) 1.063 4.663 ( -4.273 2.307 0.000) 4.856 ======================= Grid point 18 (12/129) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.139 ( -4.209 4.414 0.000) 6.099 1.248 ( -0.559 1.127 0.000) 1.258 1.354 ( -1.191 -2.663 0.000) 2.917 1.383 ( 0.808 -0.941 0.000) 1.240 1.430 ( -0.460 3.040 0.000) 3.075 1.460 ( 0.055 -0.817 0.000) 0.819 1.580 ( 0.551 -0.125 0.000) 0.565 1.719 ( 0.039 -1.616 0.000) 1.616 1.736 ( 0.837 0.837 0.000) 1.184 1.880 ( -1.802 -2.602 0.000) 3.165 2.087 ( -5.206 -2.059 0.000) 5.599 2.183 ( -0.923 0.140 0.000) 0.933 2.191 ( 8.824 2.730 0.000) 9.236 2.273 ( 0.165 -1.547 0.000) 1.555 2.313 ( -0.834 -0.214 0.000) 0.861 2.624 ( 2.246 1.330 0.000) 2.611 2.702 ( 0.679 0.012 0.000) 0.679 3.075 ( -0.113 -0.070 0.000) 0.133 3.115 ( 0.165 -1.570 0.000) 1.579 3.161 ( -1.257 1.971 0.000) 2.337 3.316 ( 1.738 -0.189 0.000) 1.748 3.469 ( 0.372 0.120 0.000) 0.391 3.511 ( 0.604 0.601 0.000) 0.852 3.638 ( -1.575 -0.163 0.000) 1.583 3.678 ( 0.829 -0.855 0.000) 1.191 3.686 ( 2.171 0.129 0.000) 2.175 3.750 ( -1.190 -1.175 0.000) 1.672 3.808 ( 0.610 1.350 0.000) 1.482 3.973 ( -0.615 -0.140 0.000) 0.631 4.028 ( 0.285 -0.058 0.000) 0.290 4.245 ( -0.055 0.047 0.000) 0.073 4.283 ( -0.387 -0.004 0.000) 0.387 4.296 ( 0.647 0.015 0.000) 0.647 4.494 ( -0.790 -0.014 0.000) 0.790 4.554 ( -1.102 0.563 0.000) 1.238 4.594 ( -1.602 -0.480 0.000) 1.673 ======================= Grid point 19 (13/129) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.117 ( 1.821 -4.778 0.000) 5.113 1.239 ( -1.232 -0.238 0.000) 1.255 1.339 ( -3.594 -0.507 0.000) 3.629 1.349 ( -2.273 -5.551 0.000) 5.998 1.398 ( -2.854 0.113 0.000) 2.856 1.490 ( 0.200 1.705 0.000) 1.717 1.641 ( 5.963 0.593 0.000) 5.993 1.661 ( -5.139 -1.585 0.000) 5.378 1.681 ( -3.997 1.099 0.000) 4.146 1.853 ( -1.963 1.794 0.000) 2.659 1.996 ( -5.293 0.904 0.000) 5.370 2.076 ( -9.686 -1.233 0.000) 9.765 2.284 ( 3.211 -2.071 0.000) 3.821 2.367 ( 9.813 5.919 0.000) 11.460 2.378 ( 6.564 -1.225 0.000) 6.677 2.734 ( 9.023 3.040 0.000) 9.521 2.767 ( 5.042 0.655 0.000) 5.085 2.999 ( -13.281 0.051 0.000) 13.281 3.016 ( -6.234 -0.127 0.000) 6.235 3.067 ( -6.821 -1.114 0.000) 6.912 3.300 ( -2.424 2.645 0.000) 3.588 3.493 ( 2.458 0.693 0.000) 2.554 3.550 ( -5.114 -0.061 0.000) 5.115 3.558 ( 4.488 0.953 0.000) 4.588 3.697 ( 0.926 0.508 0.000) 1.056 3.737 ( -1.231 -2.046 0.000) 2.387 3.755 ( 3.160 0.935 0.000) 3.295 3.814 ( 1.248 1.273 0.000) 1.783 3.946 ( -2.331 -0.894 0.000) 2.497 4.047 ( 1.888 0.494 0.000) 1.951 4.246 ( 0.074 -0.077 0.000) 0.107 4.267 ( -1.464 -0.449 0.000) 1.531 4.298 ( -0.446 0.742 0.000) 0.866 4.463 ( -3.033 -1.325 0.000) 3.310 4.536 ( -1.138 -2.590 0.000) 2.829 4.607 ( 1.762 -1.831 0.000) 2.542 ======================= Grid point 20 (14/129) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.147 ( -7.930 1.313 0.000) 8.038 1.208 ( 1.406 -8.142 0.000) 8.262 1.256 ( -13.223 -8.894 0.000) 15.936 1.306 ( -3.137 -3.316 0.000) 4.564 1.376 ( 0.910 -4.603 0.000) 4.692 1.418 ( -3.314 4.051 0.000) 5.234 1.584 ( -3.712 -0.512 0.000) 3.747 1.613 ( -1.893 2.614 0.000) 3.227 1.732 ( -2.931 -1.010 0.000) 3.100 1.801 ( -2.536 4.902 0.000) 5.519 1.915 ( 0.064 2.377 0.000) 2.378 1.944 ( 0.809 -0.716 0.000) 1.081 2.342 ( 1.282 2.457 0.000) 2.772 2.490 ( 6.070 5.110 0.000) 7.935 2.518 ( 5.326 -2.531 0.000) 5.897 2.678 ( -19.811 1.447 0.000) 19.864 2.841 ( 2.211 0.343 0.000) 2.237 2.860 ( -8.511 0.455 0.000) 8.523 2.874 ( 6.801 4.005 0.000) 7.892 2.913 ( -8.987 -0.598 0.000) 9.007 3.233 ( -2.463 1.977 0.000) 3.159 3.471 ( -2.856 0.566 0.000) 2.912 3.554 ( 4.184 1.277 0.000) 4.375 3.639 ( 3.257 0.997 0.000) 3.406 3.703 ( -0.656 -1.115 0.000) 1.294 3.741 ( 1.669 -0.645 0.000) 1.789 3.783 ( 0.401 0.737 0.000) 0.839 3.858 ( 4.642 1.227 0.000) 4.802 3.907 ( -1.707 -1.038 0.000) 1.998 4.096 ( 3.959 1.179 0.000) 4.130 4.229 ( -3.068 -0.463 0.000) 3.102 4.250 ( 0.410 -0.293 0.000) 0.504 4.271 ( -1.856 0.354 0.000) 1.890 4.390 ( -5.883 -2.473 0.000) 6.381 4.535 ( -1.546 -5.443 0.000) 5.658 4.670 ( 3.313 -2.870 0.000) 4.383 ======================= Grid point 21 (15/129) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.952 ( -11.597 2.692 0.000) 11.905 0.994 ( -18.888 -7.937 0.000) 20.488 1.207 ( -6.443 -1.395 0.000) 6.592 1.240 ( -2.228 -7.339 0.000) 7.670 1.376 ( -3.234 1.716 0.000) 3.661 1.413 ( -1.324 -2.206 0.000) 2.573 1.530 ( -2.454 -0.363 0.000) 2.480 1.531 ( -4.467 1.298 0.000) 4.651 1.625 ( -4.137 -1.398 0.000) 4.367 1.729 ( -2.624 2.365 0.000) 3.532 1.915 ( -3.411 2.320 0.000) 4.125 2.078 ( 9.072 0.329 0.000) 9.078 2.283 ( -6.000 2.572 0.000) 6.528 2.321 ( -12.018 1.136 0.000) 12.071 2.478 ( -11.360 -1.984 0.000) 11.532 2.518 ( -0.512 4.506 0.000) 4.535 2.753 ( -7.308 0.393 0.000) 7.319 2.804 ( 3.688 -0.089 0.000) 3.689 2.856 ( -0.778 -0.249 0.000) 0.817 2.943 ( 3.047 4.911 0.000) 5.779 3.205 ( 0.453 1.373 0.000) 1.446 3.431 ( -1.319 0.895 0.000) 1.595 3.625 ( 3.897 1.331 0.000) 4.118 3.644 ( -1.955 -1.373 0.000) 2.389 3.700 ( 0.290 0.859 0.000) 0.907 3.759 ( -2.889 -0.081 0.000) 2.891 3.781 ( 0.946 -0.951 0.000) 1.342 3.866 ( -0.553 -1.032 0.000) 1.171 4.024 ( 9.391 1.166 0.000) 9.463 4.153 ( -5.039 -0.476 0.000) 5.061 4.161 ( 1.835 0.273 0.000) 1.856 4.246 ( 0.231 -0.886 0.000) 0.915 4.262 ( -1.622 -1.007 0.000) 1.909 4.304 ( -0.260 -0.603 0.000) 0.657 4.535 ( -2.919 -8.948 0.000) 9.412 4.760 ( 5.057 -1.562 0.000) 5.293 ======================= Grid point 22 (16/129) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.663 ( -19.874 -4.912 0.000) 20.472 0.690 ( -14.368 3.797 0.000) 14.861 1.128 ( -3.832 -0.635 0.000) 3.884 1.218 ( -3.967 -3.759 0.000) 5.465 1.244 ( -5.505 0.590 0.000) 5.537 1.331 ( -8.365 1.499 0.000) 8.498 1.419 ( -12.066 7.893 0.000) 14.418 1.513 ( -0.045 -1.998 0.000) 1.999 1.580 ( -1.155 0.799 0.000) 1.405 1.607 ( -8.166 -2.848 0.000) 8.648 1.775 ( -2.194 0.680 0.000) 2.297 2.179 ( -6.345 -2.305 0.000) 6.751 2.196 ( -5.052 -2.073 0.000) 5.460 2.260 ( 2.909 -0.937 0.000) 3.056 2.294 ( 0.584 1.411 0.000) 1.527 2.450 ( -3.499 1.458 0.000) 3.791 2.635 ( -4.440 2.699 0.000) 5.196 2.805 ( -3.649 -0.881 0.000) 3.754 2.906 ( 4.530 -0.649 0.000) 4.577 2.949 ( 0.841 4.002 0.000) 4.090 3.227 ( 2.231 1.004 0.000) 2.446 3.383 ( -4.576 0.782 0.000) 4.642 3.603 ( -2.708 0.159 0.000) 2.712 3.674 ( 0.577 0.231 0.000) 0.622 3.691 ( -2.267 -0.886 0.000) 2.433 3.702 ( 0.536 0.651 0.000) 0.843 3.777 ( -1.731 -2.260 0.000) 2.847 3.898 ( 2.435 -1.638 0.000) 2.934 4.039 ( -5.810 -1.722 0.000) 6.060 4.100 ( -1.750 0.661 0.000) 1.871 4.129 ( -4.020 -3.092 0.000) 5.072 4.239 ( 0.133 0.393 0.000) 0.415 4.339 ( 4.520 -4.132 0.000) 6.124 4.393 ( 7.108 2.915 0.000) 7.683 4.535 ( -1.672 -10.400 0.000) 10.534 4.879 ( 7.923 2.129 0.000) 8.204 ======================= Grid point 23 (17/129) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.338 ( -13.291 5.158 0.000) 14.257 0.385 ( -15.046 5.525 0.000) 16.029 0.873 ( -24.486 20.256 0.000) 31.778 1.016 ( -5.453 2.304 0.000) 5.920 1.163 ( -6.118 -4.575 0.000) 7.640 1.271 ( 5.280 -2.120 0.000) 5.690 1.286 ( -1.450 0.776 0.000) 1.645 1.497 ( -2.740 -2.338 0.000) 3.602 1.506 ( -6.009 -3.652 0.000) 7.031 1.580 ( 0.686 -0.091 0.000) 0.692 1.837 ( 5.591 -5.675 0.000) 7.967 1.992 ( -9.328 -1.236 0.000) 9.410 2.120 ( -5.399 -3.202 0.000) 6.277 2.279 ( -0.157 4.897 0.000) 4.899 2.395 ( 5.952 0.528 0.000) 5.975 2.422 ( -0.059 -2.397 0.000) 2.398 2.578 ( 2.919 6.778 0.000) 7.380 2.732 ( -4.262 -0.889 0.000) 4.354 2.952 ( 1.162 0.562 0.000) 1.291 2.984 ( 3.843 -0.541 0.000) 3.881 3.236 ( -9.728 -0.024 0.000) 9.728 3.261 ( 1.420 -0.227 0.000) 1.438 3.543 ( -3.597 1.048 0.000) 3.747 3.655 ( -0.383 -1.899 0.000) 1.938 3.706 ( -1.376 -0.188 0.000) 1.389 3.710 ( 1.165 0.457 0.000) 1.251 3.756 ( -3.256 -7.946 0.000) 8.587 3.942 ( -4.545 -0.895 0.000) 4.632 3.952 ( 1.308 -2.519 0.000) 2.838 4.049 ( -2.567 0.718 0.000) 2.666 4.092 ( -1.654 -2.426 0.000) 2.936 4.242 ( 0.257 0.175 0.000) 0.311 4.289 ( -16.826 -17.308 0.000) 24.139 4.490 ( 4.722 3.787 0.000) 6.053 4.627 ( 4.931 -3.699 0.000) 6.165 5.032 ( 11.142 6.444 0.000) 12.871 ======================= Grid point 24 (18/129) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.132 ( -0.000 11.378 0.000) 11.378 0.249 ( -0.000 21.786 0.000) 21.786 0.332 ( -0.000 29.188 0.000) 29.188 0.949 ( -0.000 2.060 0.000) 2.060 1.125 ( 0.000 -4.632 0.000) 4.632 1.271 ( -0.000 2.093 0.000) 2.093 1.351 ( -0.000 0.811 0.000) 0.811 1.464 ( 0.000 -3.220 0.000) 3.220 1.479 ( 0.000 -5.366 0.000) 5.366 1.586 ( -0.000 0.388 0.000) 0.388 1.903 ( 0.000 -0.587 0.000) 0.587 1.988 ( 0.000 -10.470 0.000) 10.470 2.029 ( -0.000 0.458 0.000) 0.458 2.244 ( -0.000 6.351 0.000) 6.351 2.430 ( 0.000 -1.317 0.000) 1.317 2.459 ( -0.000 0.315 0.000) 0.315 2.686 ( 0.000 -0.670 0.000) 0.670 2.908 ( 0.000 -2.427 0.000) 2.427 2.971 ( 0.000 -1.042 0.000) 1.042 3.074 ( 0.000 -0.302 0.000) 0.302 3.080 ( 0.000 -0.270 0.000) 0.270 3.166 ( 0.000 -0.706 0.000) 0.706 3.279 ( 0.000 -1.253 0.000) 1.253 3.576 ( -0.000 1.852 0.000) 1.852 3.665 ( 0.000 -1.698 0.000) 1.698 3.719 ( -0.000 0.463 0.000) 0.463 3.753 ( 0.000 -2.078 0.000) 2.078 3.864 ( -0.000 3.605 0.000) 3.605 3.984 ( 0.000 -0.956 0.000) 0.956 4.016 ( -0.000 0.295 0.000) 0.295 4.034 ( -0.000 0.150 0.000) 0.150 4.089 ( 0.000 -1.738 0.000) 1.738 4.244 ( -0.000 0.104 0.000) 0.104 4.515 ( -0.000 3.126 0.000) 3.126 4.694 ( 0.000 -2.110 0.000) 2.110 5.193 ( -0.000 0.201 0.000) 0.201 ======================= Grid point 27 (19/129) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.125 ( 9.881 -0.000 0.000) 9.881 1.341 ( 1.552 -0.000 0.000) 1.552 1.355 ( -2.258 0.000 0.000) 2.258 1.403 ( 2.755 -0.000 0.000) 2.755 1.408 ( 2.216 -0.000 0.000) 2.216 1.468 ( 3.708 -0.000 0.000) 3.708 1.512 ( 4.388 -0.000 0.000) 4.388 1.641 ( 5.182 -0.000 0.000) 5.182 1.722 ( 9.101 -0.000 0.000) 9.101 1.754 ( -1.044 0.000 0.000) 1.044 1.963 ( 1.622 -0.000 0.000) 1.622 1.964 ( 1.988 -0.000 0.000) 1.988 2.200 ( -7.352 0.000 0.000) 7.352 2.368 ( -4.769 0.000 0.000) 4.769 2.569 ( -6.842 0.000 0.000) 6.842 2.636 ( 21.745 -0.000 0.000) 21.745 2.771 ( -3.255 0.000 0.000) 3.255 2.834 ( -3.371 0.000 0.000) 3.371 2.849 ( 10.140 -0.000 0.000) 10.140 2.922 ( 7.280 -0.000 0.000) 7.280 3.214 ( 3.401 -0.000 0.000) 3.401 3.457 ( 3.432 -0.000 0.000) 3.432 3.526 ( -3.621 0.000 0.000) 3.621 3.610 ( -4.539 0.000 0.000) 4.539 3.734 ( -3.894 0.000 0.000) 3.894 3.748 ( 3.012 -0.000 0.000) 3.012 3.768 ( -0.985 0.000 0.000) 0.985 3.839 ( -5.906 0.000 0.000) 5.906 3.929 ( 2.675 -0.000 0.000) 2.675 4.075 ( -3.421 0.000 0.000) 3.421 4.234 ( 2.835 -0.000 0.000) 2.835 4.257 ( -0.612 0.000 0.000) 0.612 4.273 ( 1.205 -0.000 0.000) 1.205 4.439 ( 5.119 -0.000 0.000) 5.119 4.605 ( -2.216 0.000 0.000) 2.216 4.768 ( -3.360 0.000 0.000) 3.360 ======================= Grid point 28 (20/129) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.272 ( 5.341 0.914 0.000) 5.418 1.294 ( -3.590 0.643 0.000) 3.647 1.323 ( -1.771 -0.824 0.000) 1.953 1.400 ( -2.337 0.984 0.000) 2.536 1.437 ( 1.362 -0.537 0.000) 1.464 1.499 ( 0.936 2.627 0.000) 2.789 1.639 ( -4.737 0.416 0.000) 4.755 1.649 ( 5.840 -0.643 0.000) 5.876 1.674 ( -0.588 0.963 0.000) 1.129 1.863 ( 1.008 -1.423 0.000) 1.744 2.027 ( 6.956 1.326 0.000) 7.082 2.108 ( 8.628 0.319 0.000) 8.634 2.131 ( 1.389 -2.773 0.000) 3.102 2.264 ( -5.683 -1.325 0.000) 5.836 2.411 ( -8.189 0.324 0.000) 8.195 2.675 ( -5.646 -0.306 0.000) 5.654 2.748 ( -4.944 -0.202 0.000) 4.948 3.012 ( 16.256 0.676 0.000) 16.270 3.017 ( 6.337 -0.004 0.000) 6.337 3.049 ( 5.942 -1.123 0.000) 6.047 3.278 ( 2.492 0.333 0.000) 2.514 3.478 ( -1.484 -0.112 0.000) 1.488 3.536 ( -2.665 -0.255 0.000) 2.677 3.550 ( 6.236 -0.016 0.000) 6.236 3.670 ( -2.380 -0.297 0.000) 2.399 3.729 ( -3.189 -0.253 0.000) 3.199 3.770 ( -1.723 -0.007 0.000) 1.724 3.799 ( 1.623 0.082 0.000) 1.625 3.969 ( 1.385 0.240 0.000) 1.406 4.033 ( -1.220 -0.133 0.000) 1.227 4.249 ( -0.256 0.049 0.000) 0.261 4.272 ( 1.444 -0.121 0.000) 1.450 4.287 ( 0.287 0.084 0.000) 0.299 4.497 ( 1.322 0.316 0.000) 1.359 4.576 ( -0.894 0.211 0.000) 0.919 4.682 ( -5.233 0.878 0.000) 5.306 ======================= Grid point 29 (21/129) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.197 ( -5.591 4.820 0.000) 7.382 1.264 ( -1.402 1.529 0.000) 2.074 1.331 ( -3.833 -1.337 0.000) 4.059 1.368 ( 1.862 -1.480 0.000) 2.378 1.451 ( 0.202 -0.643 0.000) 0.675 1.465 ( -1.751 3.206 0.000) 3.653 1.579 ( 0.771 -0.088 0.000) 0.776 1.678 ( -2.190 -5.344 0.000) 5.775 1.746 ( 1.516 0.762 0.000) 1.697 1.860 ( 1.926 -0.620 0.000) 2.024 2.074 ( -4.009 -0.378 0.000) 4.027 2.185 ( -1.632 0.148 0.000) 1.638 2.200 ( 3.096 -1.026 0.000) 3.261 2.266 ( 6.070 0.490 0.000) 6.090 2.311 ( -1.430 -0.222 0.000) 1.447 2.639 ( 3.658 1.183 0.000) 3.845 2.702 ( 1.174 0.012 0.000) 1.174 3.074 ( -0.194 -0.069 0.000) 0.206 3.101 ( -0.019 -0.858 0.000) 0.858 3.179 ( -2.151 1.252 0.000) 2.488 3.313 ( 3.362 -0.157 0.000) 3.365 3.471 ( 0.643 0.120 0.000) 0.654 3.519 ( 1.052 0.638 0.000) 1.230 3.636 ( -2.517 -0.156 0.000) 2.522 3.667 ( 1.341 -0.920 0.000) 1.627 3.687 ( 3.550 0.121 0.000) 3.552 3.739 ( -1.848 -0.752 0.000) 1.996 3.821 ( 0.971 0.936 0.000) 1.349 3.971 ( -1.173 -0.146 0.000) 1.182 4.027 ( 0.489 -0.057 0.000) 0.492 4.246 ( -0.089 0.047 0.000) 0.101 4.283 ( -0.661 -0.003 0.000) 0.661 4.297 ( 1.121 0.015 0.000) 1.121 4.493 ( -1.370 -0.014 0.000) 1.370 4.562 ( -1.483 0.896 0.000) 1.733 4.587 ( -3.194 -0.814 0.000) 3.296 ======================= Grid point 30 (22/129) ======================= q-point: (-0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.091 ( -2.353 0.211 0.000) 2.363 1.239 ( -1.268 0.181 0.000) 1.281 1.275 ( -5.706 -7.292 0.000) 9.259 1.331 ( -4.593 -0.768 0.000) 4.656 1.399 ( -4.750 -0.073 0.000) 4.751 1.506 ( 2.817 1.076 0.000) 3.016 1.635 ( -3.647 -2.473 0.000) 4.406 1.648 ( 6.502 0.493 0.000) 6.521 1.693 ( -4.887 1.035 0.000) 4.996 1.896 ( 1.501 5.232 0.000) 5.443 2.008 ( -3.532 1.112 0.000) 3.703 2.063 ( -10.133 -0.956 0.000) 10.178 2.245 ( 4.335 -4.423 0.000) 6.193 2.366 ( 6.017 -0.907 0.000) 6.085 2.423 ( 9.584 3.899 0.000) 10.347 2.766 ( 9.215 2.461 0.000) 9.538 2.774 ( 5.061 0.461 0.000) 5.082 3.000 ( -13.757 0.098 0.000) 13.758 3.014 ( -6.159 -0.125 0.000) 6.160 3.053 ( -6.416 -1.209 0.000) 6.529 3.332 ( -1.446 2.735 0.000) 3.094 3.501 ( 2.798 0.582 0.000) 2.858 3.549 ( -4.783 -0.084 0.000) 4.784 3.569 ( 4.631 0.971 0.000) 4.732 3.698 ( 0.129 -0.367 0.000) 0.389 3.715 ( -0.455 -1.740 0.000) 1.799 3.764 ( 3.184 0.683 0.000) 3.256 3.830 ( 1.134 1.506 0.000) 1.885 3.936 ( -2.568 -0.891 0.000) 2.718 4.052 ( 2.249 0.359 0.000) 2.277 4.245 ( 0.008 -0.009 0.000) 0.012 4.263 ( -1.567 -0.251 0.000) 1.587 4.306 ( -0.298 0.549 0.000) 0.625 4.449 ( -3.760 -1.025 0.000) 3.897 4.505 ( -3.321 -2.505 0.000) 4.161 4.592 ( 1.526 -0.881 0.000) 1.761 ======================= Grid point 31 (23/129) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.114 ( 0.614 -7.830 0.000) 7.854 1.161 ( -11.328 -7.518 0.000) 13.596 1.164 ( -6.833 1.675 0.000) 7.035 1.270 ( -3.244 -3.002 0.000) 4.420 1.325 ( -2.618 -4.108 0.000) 4.871 1.467 ( -3.700 4.595 0.000) 5.900 1.577 ( -3.535 -0.776 0.000) 3.620 1.629 ( -1.243 -0.057 0.000) 1.244 1.724 ( -5.341 -0.182 0.000) 5.344 1.857 ( -3.581 4.623 0.000) 5.848 1.938 ( 2.792 -0.329 0.000) 2.811 1.960 ( 2.128 5.216 0.000) 5.633 2.355 ( 2.913 -0.075 0.000) 2.914 2.489 ( 4.366 -2.337 0.000) 4.952 2.541 ( 4.024 3.592 0.000) 5.394 2.691 ( -17.253 0.998 0.000) 17.282 2.844 ( 2.030 0.297 0.000) 2.051 2.865 ( -8.072 0.364 0.000) 8.081 2.904 ( -7.016 -0.279 0.000) 7.022 2.914 ( 5.063 2.365 0.000) 5.588 3.262 ( -3.006 3.002 0.000) 4.248 3.477 ( -2.607 0.453 0.000) 2.646 3.567 ( 4.423 1.104 0.000) 4.559 3.642 ( 0.731 -0.593 0.000) 0.941 3.694 ( 1.347 -0.227 0.000) 1.366 3.737 ( 1.718 -0.218 0.000) 1.731 3.791 ( 0.150 0.667 0.000) 0.684 3.874 ( 4.595 1.510 0.000) 4.837 3.895 ( -1.274 -0.945 0.000) 1.586 4.111 ( 4.552 1.295 0.000) 4.733 4.224 ( -2.859 -0.292 0.000) 2.874 4.247 ( 0.262 -0.212 0.000) 0.337 4.276 ( -2.382 0.482 0.000) 2.430 4.362 ( -6.532 -2.455 0.000) 6.978 4.464 ( -4.091 -6.541 0.000) 7.715 4.647 ( 3.621 -1.432 0.000) 3.894 ======================= Grid point 32 (24/129) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.929 ( -15.158 -3.182 0.000) 15.489 0.986 ( -10.669 3.133 0.000) 11.120 1.156 ( -1.728 -7.269 0.000) 7.472 1.194 ( -5.590 -1.015 0.000) 5.681 1.359 ( 0.668 -7.115 0.000) 7.147 1.393 ( -3.939 1.437 0.000) 4.193 1.524 ( -2.472 -0.797 0.000) 2.598 1.538 ( -8.394 -0.320 0.000) 8.400 1.614 ( -1.246 -0.339 0.000) 1.291 1.757 ( -4.291 2.948 0.000) 5.206 1.942 ( -4.983 2.350 0.000) 5.509 2.086 ( 9.066 1.017 0.000) 9.123 2.311 ( -5.464 1.946 0.000) 5.800 2.346 ( -12.728 3.263 0.000) 13.139 2.451 ( -10.444 -2.806 0.000) 10.815 2.571 ( -1.751 4.893 0.000) 5.197 2.755 ( -6.428 -0.124 0.000) 6.429 2.805 ( 2.710 0.259 0.000) 2.722 2.852 ( -1.120 -0.359 0.000) 1.176 2.991 ( 2.792 3.242 0.000) 4.279 3.222 ( 0.322 1.663 0.000) 1.694 3.441 ( -1.168 0.853 0.000) 1.446 3.625 ( -1.979 -2.000 0.000) 2.813 3.640 ( 3.718 1.271 0.000) 3.930 3.713 ( 0.736 1.459 0.000) 1.634 3.758 ( -3.626 -0.001 0.000) 3.626 3.770 ( 0.567 -0.888 0.000) 1.054 3.857 ( -1.030 -0.544 0.000) 1.164 4.039 ( 9.497 1.560 0.000) 9.624 4.150 ( -5.096 -0.099 0.000) 5.097 4.164 ( -1.330 0.242 0.000) 1.352 4.234 ( -0.950 -1.233 0.000) 1.556 4.250 ( -2.006 -0.990 0.000) 2.237 4.298 ( 3.836 -0.586 0.000) 3.880 4.425 ( -5.113 -10.180 0.000) 11.392 4.746 ( 6.435 -0.942 0.000) 6.503 ======================= Grid point 33 (25/129) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.661 ( -12.128 4.622 0.000) 12.979 0.737 ( -13.481 4.308 0.000) 14.152 1.125 ( -1.744 0.091 0.000) 1.746 1.160 ( -1.768 -5.824 0.000) 6.086 1.244 ( -8.364 -0.560 0.000) 8.383 1.334 ( -7.027 -0.847 0.000) 7.077 1.476 ( -4.162 0.811 0.000) 4.241 1.492 ( -0.092 -1.620 0.000) 1.623 1.589 ( -1.190 0.806 0.000) 1.438 1.597 ( -13.707 1.174 0.000) 13.757 1.777 ( -6.210 -0.507 0.000) 6.231 2.157 ( -7.597 -1.578 0.000) 7.759 2.167 ( -6.048 -1.553 0.000) 6.245 2.269 ( 2.204 1.868 0.000) 2.889 2.303 ( 1.685 0.201 0.000) 1.697 2.473 ( -5.262 2.388 0.000) 5.778 2.661 ( -3.501 1.574 0.000) 3.839 2.795 ( -3.865 -0.896 0.000) 3.967 2.898 ( 4.367 -0.726 0.000) 4.427 2.988 ( -0.751 2.750 0.000) 2.850 3.241 ( 2.047 1.467 0.000) 2.518 3.393 ( -4.839 0.966 0.000) 4.935 3.602 ( -1.265 -0.249 0.000) 1.290 3.667 ( -4.514 -1.300 0.000) 4.697 3.690 ( 1.650 0.498 0.000) 1.723 3.707 ( -0.861 -0.020 0.000) 0.862 3.752 ( -3.389 -1.874 0.000) 3.873 3.875 ( 1.675 -2.378 0.000) 2.909 4.023 ( -6.018 -0.859 0.000) 6.079 4.096 ( -4.010 -2.669 0.000) 4.817 4.108 ( -1.954 0.736 0.000) 2.088 4.241 ( 0.048 -0.002 0.000) 0.048 4.279 ( -2.624 -6.266 0.000) 6.793 4.426 ( 8.379 2.906 0.000) 8.869 4.436 ( 4.145 -7.037 0.000) 8.167 4.897 ( 9.701 1.195 0.000) 9.775 ======================= Grid point 34 (26/129) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.453 ( -13.002 6.093 0.000) 14.358 0.479 ( 1.092 17.490 0.000) 17.524 1.048 ( -4.750 3.094 0.000) 5.669 1.081 ( -18.684 11.838 0.000) 22.118 1.113 ( -7.137 -0.588 0.000) 7.161 1.236 ( 5.222 -3.922 0.000) 6.531 1.291 ( -2.450 0.739 0.000) 2.559 1.462 ( -5.850 -3.898 0.000) 7.030 1.475 ( -3.558 -1.429 0.000) 3.835 1.576 ( 0.127 -0.391 0.000) 0.411 1.760 ( 1.604 -7.483 0.000) 7.653 1.974 ( -9.002 -1.869 0.000) 9.194 2.090 ( -4.470 -2.167 0.000) 4.967 2.322 ( 2.072 2.426 0.000) 3.190 2.397 ( -1.158 -1.561 0.000) 1.943 2.400 ( 5.620 0.373 0.000) 5.632 2.633 ( 3.841 2.400 0.000) 4.529 2.720 ( -4.351 -1.214 0.000) 4.517 2.957 ( -1.003 0.179 0.000) 1.019 2.977 ( 3.930 -0.709 0.000) 3.993 3.236 ( -10.184 0.008 0.000) 10.184 3.265 ( 1.029 1.007 0.000) 1.440 3.535 ( -11.883 -4.257 0.000) 12.623 3.631 ( -0.527 -2.104 0.000) 2.169 3.643 ( -7.076 -7.001 0.000) 9.954 3.715 ( 1.003 0.272 0.000) 1.039 3.718 ( 0.604 0.467 0.000) 0.764 3.919 ( 0.502 -2.112 0.000) 2.171 3.951 ( -0.559 1.067 0.000) 1.205 4.057 ( -2.544 0.566 0.000) 2.606 4.063 ( -1.374 -2.512 0.000) 2.863 4.166 ( -11.235 -6.103 0.000) 12.786 4.243 ( 0.111 -0.079 0.000) 0.136 4.538 ( 5.288 4.545 0.000) 6.973 4.583 ( 5.574 -4.277 0.000) 7.026 5.079 ( 10.350 2.727 0.000) 10.704 ======================= Grid point 35 (27/129) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.253 ( -0.000 9.793 0.000) 9.793 0.488 ( -0.000 20.541 0.000) 20.541 0.655 ( -0.000 27.849 0.000) 27.849 0.980 ( -0.000 3.371 0.000) 3.371 1.059 ( 0.000 -6.772 0.000) 6.772 1.296 ( -0.000 2.202 0.000) 2.202 1.364 ( -0.000 1.424 0.000) 1.424 1.404 ( 0.000 -7.528 0.000) 7.528 1.414 ( 0.000 -5.474 0.000) 5.474 1.584 ( 0.000 -0.672 0.000) 0.672 1.858 ( 0.000 -12.151 0.000) 12.151 1.893 ( 0.000 -1.157 0.000) 1.157 2.035 ( -0.000 0.518 0.000) 0.518 2.307 ( -0.000 4.684 0.000) 4.684 2.410 ( 0.000 -2.229 0.000) 2.229 2.462 ( -0.000 0.249 0.000) 0.249 2.675 ( 0.000 -1.181 0.000) 1.181 2.861 ( 0.000 -6.145 0.000) 6.145 2.954 ( 0.000 -1.981 0.000) 1.981 3.070 ( 0.000 -0.455 0.000) 0.455 3.076 ( 0.000 -0.467 0.000) 0.467 3.155 ( 0.000 -1.208 0.000) 1.208 3.272 ( -0.000 0.316 0.000) 0.316 3.599 ( -0.000 1.929 0.000) 1.929 3.643 ( 0.000 -2.186 0.000) 2.186 3.723 ( -0.000 0.215 0.000) 0.215 3.733 ( 0.000 -1.321 0.000) 1.321 3.909 ( -0.000 3.831 0.000) 3.831 3.970 ( 0.000 -1.246 0.000) 1.246 4.021 ( -0.000 0.548 0.000) 0.548 4.036 ( -0.000 0.239 0.000) 0.239 4.065 ( 0.000 -2.343 0.000) 2.343 4.245 ( 0.000 -0.070 0.000) 0.070 4.561 ( -0.000 4.828 0.000) 4.828 4.660 ( 0.000 -3.852 0.000) 3.852 5.196 ( -0.000 0.370 0.000) 0.370 ======================= Grid point 40 (28/129) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.227 ( -4.027 0.000 0.000) 4.027 1.275 ( -2.162 0.000 0.000) 2.162 1.324 ( -6.740 0.000 0.000) 6.740 1.358 ( 2.713 -0.000 0.000) 2.713 1.447 ( 0.278 -0.000 0.000) 0.278 1.491 ( -3.882 0.000 0.000) 3.882 1.578 ( 0.805 -0.000 0.000) 0.805 1.635 ( -1.844 0.000 0.000) 1.844 1.751 ( 1.785 -0.000 0.000) 1.785 1.859 ( 4.391 -0.000 0.000) 4.391 2.073 ( -3.885 0.000 0.000) 3.885 2.186 ( -1.904 0.000 0.000) 1.904 2.190 ( 0.223 -0.000 0.000) 0.223 2.271 ( 8.695 -0.000 0.000) 8.695 2.309 ( -1.642 0.000 0.000) 1.642 2.646 ( 4.115 -0.000 0.000) 4.115 2.703 ( 1.354 -0.000 0.000) 1.354 3.073 ( -0.222 0.000 0.000) 0.222 3.096 ( -0.075 0.000 0.000) 0.075 3.187 ( -2.612 0.000 0.000) 2.612 3.313 ( 4.107 -0.000 0.000) 4.107 3.471 ( 0.741 -0.000 0.000) 0.741 3.523 ( 1.220 -0.000 0.000) 1.220 3.635 ( -2.801 0.000 0.000) 2.801 3.661 ( 1.480 -0.000 0.000) 1.480 3.688 ( 3.994 -0.000 0.000) 3.994 3.735 ( -2.073 0.000 0.000) 2.073 3.827 ( 1.149 -0.000 0.000) 1.149 3.970 ( -1.421 0.000 0.000) 1.421 4.027 ( 0.561 -0.000 0.000) 0.561 4.246 ( -0.100 0.000 0.000) 0.100 4.283 ( -0.758 0.000 0.000) 0.758 4.297 ( 1.295 -0.000 0.000) 1.295 4.493 ( -1.583 0.000 0.000) 1.583 4.570 ( 0.194 -0.000 0.000) 0.194 4.579 ( -5.592 0.000 0.000) 5.592 ======================= Grid point 41 (29/129) ======================= q-point: (-0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.120 ( -5.586 4.568 0.000) 7.215 1.192 ( -7.862 -7.020 0.000) 10.540 1.242 ( -1.423 0.161 0.000) 1.432 1.324 ( -5.041 -0.384 0.000) 5.055 1.397 ( -5.646 -0.121 0.000) 5.647 1.514 ( 4.548 0.359 0.000) 4.562 1.615 ( -1.714 -1.026 0.000) 1.998 1.652 ( 6.859 0.174 0.000) 6.861 1.702 ( -5.663 0.450 0.000) 5.681 1.952 ( 2.160 3.646 0.000) 4.237 2.016 ( -1.264 0.179 0.000) 1.277 2.055 ( -10.402 -0.367 0.000) 10.409 2.198 ( 4.474 -2.889 0.000) 5.326 2.359 ( 5.708 -0.334 0.000) 5.718 2.453 ( 9.625 1.330 0.000) 9.716 2.777 ( 5.070 0.165 0.000) 5.072 2.786 ( 9.120 0.920 0.000) 9.166 3.001 ( -14.587 0.050 0.000) 14.587 3.013 ( -6.106 -0.052 0.000) 6.107 3.043 ( -5.760 -0.500 0.000) 5.782 3.356 ( -0.636 1.190 0.000) 1.349 3.506 ( 3.011 0.231 0.000) 3.020 3.548 ( -4.630 -0.043 0.000) 4.630 3.578 ( 4.633 0.441 0.000) 4.654 3.691 ( -2.369 -0.590 0.000) 2.442 3.703 ( 2.013 -0.458 0.000) 2.064 3.769 ( 3.203 0.250 0.000) 3.212 3.844 ( 1.181 0.766 0.000) 1.408 3.928 ( -2.747 -0.468 0.000) 2.787 4.054 ( 2.492 0.130 0.000) 2.495 4.245 ( -0.022 0.009 0.000) 0.024 4.261 ( -1.553 -0.061 0.000) 1.555 4.310 ( -0.246 0.193 0.000) 0.313 4.441 ( -4.217 -0.389 0.000) 4.235 4.484 ( -4.849 -1.013 0.000) 4.954 4.586 ( 1.506 -0.266 0.000) 1.529 ======================= Grid point 42 (30/129) ======================= q-point: (-0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.042 ( -3.222 -4.698 0.000) 5.697 1.093 ( -5.818 -4.336 0.000) 7.256 1.185 ( -5.911 1.984 0.000) 6.235 1.239 ( -3.449 -2.646 0.000) 4.348 1.287 ( -6.075 -2.380 0.000) 6.524 1.519 ( -3.258 4.534 0.000) 5.583 1.568 ( -3.441 -0.661 0.000) 3.504 1.612 ( -2.590 -2.615 0.000) 3.681 1.727 ( -6.147 0.410 0.000) 6.161 1.900 ( -4.201 2.807 0.000) 5.052 1.936 ( 4.538 -0.028 0.000) 4.538 2.020 ( 2.672 4.624 0.000) 5.340 2.346 ( 5.667 -1.266 0.000) 5.806 2.468 ( 3.542 -1.425 0.000) 3.818 2.568 ( -0.094 1.386 0.000) 1.389 2.701 ( -13.057 0.680 0.000) 13.074 2.847 ( 1.943 0.170 0.000) 1.950 2.868 ( -7.791 0.201 0.000) 7.794 2.899 ( -8.541 -0.371 0.000) 8.549 2.936 ( 6.236 1.294 0.000) 6.369 3.295 ( -3.594 2.414 0.000) 4.329 3.481 ( -2.435 0.247 0.000) 2.448 3.577 ( 4.577 0.635 0.000) 4.621 3.628 ( -1.738 -1.408 0.000) 2.236 3.698 ( 4.119 0.554 0.000) 4.156 3.735 ( 1.338 -0.059 0.000) 1.339 3.797 ( -0.016 0.395 0.000) 0.396 3.886 ( -1.983 -0.513 0.000) 2.048 3.890 ( 5.801 1.156 0.000) 5.915 4.124 ( 5.323 0.933 0.000) 5.404 4.224 ( -2.551 0.155 0.000) 2.555 4.246 ( 0.125 -0.079 0.000) 0.148 4.280 ( -2.663 0.194 0.000) 2.670 4.338 ( -7.310 -1.643 0.000) 7.493 4.399 ( -6.335 -4.576 0.000) 7.815 4.635 ( 3.688 -0.619 0.000) 3.739 ======================= Grid point 43 (31/129) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.925 ( -8.458 2.450 0.000) 8.806 1.020 ( -9.973 2.853 0.000) 10.373 1.084 ( -1.223 -5.254 0.000) 5.394 1.182 ( -4.178 -1.119 0.000) 4.325 1.261 ( 0.304 -9.812 0.000) 9.817 1.411 ( -6.825 1.814 0.000) 7.061 1.512 ( -2.775 -1.118 0.000) 2.992 1.525 ( -7.759 -1.818 0.000) 7.969 1.616 ( -0.975 0.318 0.000) 1.026 1.796 ( -5.245 3.818 0.000) 6.488 1.961 ( -10.000 0.878 0.000) 10.039 2.100 ( 9.457 1.437 0.000) 9.565 2.334 ( -4.769 2.262 0.000) 5.279 2.378 ( -9.283 1.832 0.000) 9.462 2.418 ( -10.212 -2.748 0.000) 10.575 2.627 ( -2.783 4.907 0.000) 5.642 2.749 ( -6.188 -1.020 0.000) 6.272 2.809 ( 2.151 0.417 0.000) 2.191 2.848 ( -1.604 -0.368 0.000) 1.645 3.014 ( 2.280 1.103 0.000) 2.533 3.241 ( -0.267 1.567 0.000) 1.589 3.449 ( -1.016 0.595 0.000) 1.178 3.602 ( -1.489 -1.848 0.000) 2.374 3.652 ( 3.543 0.897 0.000) 3.655 3.731 ( 0.764 1.649 0.000) 1.818 3.759 ( -4.257 0.052 0.000) 4.257 3.761 ( 0.570 -0.643 0.000) 0.859 3.854 ( -1.721 -0.105 0.000) 1.724 4.060 ( 10.237 2.053 0.000) 10.440 4.152 ( -4.996 0.560 0.000) 5.027 4.166 ( -5.243 0.132 0.000) 5.245 4.220 ( -2.991 -1.305 0.000) 3.264 4.241 ( -0.679 -0.687 0.000) 0.966 4.292 ( 6.892 -0.421 0.000) 6.905 4.314 ( -5.946 -9.059 0.000) 10.836 4.738 ( 7.167 -0.514 0.000) 7.186 ======================= Grid point 44 (32/129) ======================= q-point: (-0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.759 ( -3.599 12.100 0.000) 12.624 0.783 ( -13.162 3.706 0.000) 13.674 1.096 ( -0.061 -5.164 0.000) 5.164 1.128 ( -0.760 0.366 0.000) 0.844 1.234 ( -9.608 -1.022 0.000) 9.662 1.307 ( -4.336 -4.417 0.000) 6.190 1.459 ( -4.631 -2.445 0.000) 5.237 1.478 ( -0.273 -0.804 0.000) 0.850 1.597 ( -1.138 0.397 0.000) 1.205 1.604 ( -13.141 -0.851 0.000) 13.169 1.764 ( -7.567 -1.487 0.000) 7.712 2.144 ( -9.926 -0.663 0.000) 9.949 2.178 ( -8.701 3.246 0.000) 9.287 2.293 ( 0.881 2.318 0.000) 2.480 2.299 ( 3.697 -0.782 0.000) 3.779 2.504 ( -6.359 3.138 0.000) 7.091 2.666 ( -3.969 -0.724 0.000) 4.034 2.786 ( -4.193 -0.664 0.000) 4.245 2.890 ( 4.240 -0.600 0.000) 4.282 3.008 ( -2.062 0.784 0.000) 2.206 3.258 ( 2.302 1.560 0.000) 2.780 3.403 ( -5.061 0.885 0.000) 5.138 3.597 ( 0.035 -0.653 0.000) 0.654 3.651 ( -5.752 -1.313 0.000) 5.900 3.695 ( -7.512 -1.962 0.000) 7.764 3.697 ( 1.743 0.592 0.000) 1.840 3.742 ( -1.628 0.094 0.000) 1.631 3.848 ( 1.170 -2.119 0.000) 2.421 4.021 ( -4.996 0.484 0.000) 5.019 4.070 ( -3.978 -1.941 0.000) 4.426 4.117 ( -2.556 0.948 0.000) 2.726 4.208 ( -4.767 -5.793 0.000) 7.502 4.240 ( -0.005 -0.133 0.000) 0.133 4.371 ( 8.159 -4.652 0.000) 9.392 4.456 ( 9.544 2.259 0.000) 9.808 4.908 ( 10.737 0.700 0.000) 10.760 ======================= Grid point 45 (33/129) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.515 ( -12.075 4.495 0.000) 12.885 0.695 ( 6.534 19.804 0.000) 20.854 1.051 ( -11.367 -4.108 0.000) 12.087 1.080 ( -4.674 2.228 0.000) 5.178 1.185 ( -1.673 -0.322 0.000) 1.704 1.192 ( 4.926 -3.220 0.000) 5.885 1.348 ( -11.276 9.894 0.000) 15.002 1.419 ( -4.424 -3.847 0.000) 5.862 1.463 ( -3.048 -0.726 0.000) 3.133 1.574 ( -0.726 0.034 0.000) 0.727 1.678 ( -2.863 -6.636 0.000) 7.227 1.950 ( -8.986 -2.385 0.000) 9.298 2.071 ( -3.194 -1.066 0.000) 3.367 2.331 ( 3.153 -0.468 0.000) 3.187 2.396 ( -3.309 1.108 0.000) 3.490 2.403 ( 5.333 0.080 0.000) 5.333 2.632 ( 1.240 -2.352 0.000) 2.658 2.706 ( -4.499 -1.206 0.000) 4.658 2.953 ( -3.028 -0.956 0.000) 3.175 2.969 ( 4.037 -0.668 0.000) 4.092 3.236 ( -10.711 0.039 0.000) 10.711 3.284 ( 1.071 2.289 0.000) 2.528 3.448 ( -20.351 -8.610 0.000) 22.097 3.609 ( -0.529 -1.818 0.000) 1.893 3.612 ( 0.384 -0.497 0.000) 0.628 3.717 ( 0.755 0.148 0.000) 0.770 3.727 ( -0.020 0.947 0.000) 0.947 3.896 ( 2.057 -1.952 0.000) 2.835 3.971 ( 0.142 2.444 0.000) 2.448 4.037 ( -1.168 -2.032 0.000) 2.344 4.062 ( -2.494 0.444 0.000) 2.533 4.121 ( -6.609 -2.635 0.000) 7.115 4.241 ( 0.022 -0.226 0.000) 0.227 4.532 ( 5.366 -4.544 0.000) 7.032 4.587 ( 5.891 4.053 0.000) 7.150 5.102 ( 9.640 1.421 0.000) 9.745 ======================= Grid point 46 (34/129) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.348 ( -0.000 6.877 0.000) 6.877 0.706 ( -0.000 17.596 0.000) 17.596 0.956 ( -0.000 25.101 0.000) 25.101 0.981 ( 0.000 -6.492 0.000) 6.492 1.019 ( -0.000 3.057 0.000) 3.057 1.317 ( -0.000 1.318 0.000) 1.318 1.321 ( 0.000 -6.697 0.000) 6.697 1.347 ( 0.000 -6.100 0.000) 6.100 1.382 ( -0.000 1.677 0.000) 1.677 1.573 ( 0.000 -1.012 0.000) 1.012 1.722 ( 0.000 -11.601 0.000) 11.601 1.876 ( 0.000 -2.022 0.000) 2.022 2.039 ( -0.000 0.154 0.000) 0.154 2.348 ( -0.000 2.590 0.000) 2.590 2.383 ( 0.000 -2.474 0.000) 2.474 2.464 ( 0.000 -0.034 0.000) 0.034 2.660 ( 0.000 -1.400 0.000) 1.400 2.770 ( 0.000 -9.696 0.000) 9.696 2.927 ( 0.000 -2.592 0.000) 2.592 3.065 ( 0.000 -0.420 0.000) 0.420 3.070 ( 0.000 -0.541 0.000) 0.541 3.140 ( 0.000 -1.357 0.000) 1.357 3.289 ( -0.000 2.675 0.000) 2.675 3.615 ( -0.000 0.876 0.000) 0.876 3.619 ( 0.000 -2.011 0.000) 2.011 3.724 ( 0.000 -0.023 0.000) 0.023 3.726 ( -0.000 0.077 0.000) 0.077 3.929 ( 0.000 -1.053 0.000) 1.053 3.976 ( -0.000 2.941 0.000) 2.941 4.028 ( -0.000 0.679 0.000) 0.679 4.039 ( -0.000 0.249 0.000) 0.249 4.039 ( 0.000 -2.145 0.000) 2.145 4.243 ( 0.000 -0.247 0.000) 0.247 4.610 ( 0.000 -4.811 0.000) 4.811 4.618 ( -0.000 4.935 0.000) 4.935 5.201 ( -0.000 0.459 0.000) 0.459 ======================= Grid point 53 (35/129) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.014 ( -5.279 0.000 0.000) 5.279 1.068 ( -3.045 0.000 0.000) 3.045 1.206 ( -7.279 0.000 0.000) 7.279 1.214 ( -1.822 0.000 0.000) 1.822 1.274 ( -7.460 0.000 0.000) 7.460 1.559 ( -0.361 0.000 0.000) 0.361 1.564 ( -3.400 0.000 0.000) 3.400 1.583 ( -6.104 0.000 0.000) 6.104 1.730 ( -6.184 0.000 0.000) 6.184 1.916 ( -4.237 0.000 0.000) 4.237 1.936 ( 5.244 -0.000 0.000) 5.244 2.049 ( 2.234 -0.000 0.000) 2.234 2.336 ( 7.322 -0.000 0.000) 7.322 2.459 ( 3.208 -0.000 0.000) 3.208 2.575 ( -2.457 0.000 0.000) 2.457 2.705 ( -10.788 0.000 0.000) 10.788 2.848 ( 1.915 -0.000 0.000) 1.915 2.870 ( -7.692 0.000 0.000) 7.692 2.896 ( -8.473 0.000 0.000) 8.473 2.943 ( 5.918 -0.000 0.000) 5.918 3.309 ( -3.844 0.000 0.000) 3.844 3.482 ( -2.374 0.000 0.000) 2.374 3.581 ( 4.629 -0.000 0.000) 4.629 3.619 ( -2.239 0.000 0.000) 2.239 3.701 ( 4.766 -0.000 0.000) 4.766 3.735 ( 1.283 -0.000 0.000) 1.283 3.800 ( -0.074 0.000 0.000) 0.074 3.883 ( -1.702 0.000 0.000) 1.702 3.898 ( 5.755 -0.000 0.000) 5.755 4.129 ( 5.740 -0.000 0.000) 5.740 4.225 ( -2.247 0.000 0.000) 2.247 4.245 ( 0.076 -0.000 0.000) 0.076 4.281 ( -2.777 0.000 0.000) 2.777 4.328 ( -7.731 0.000 0.000) 7.731 4.371 ( -7.435 0.000 0.000) 7.435 4.632 ( 3.695 -0.000 0.000) 3.695 ======================= Grid point 55 (36/129) ======================= q-point: (-0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.971 ( -0.158 4.188 0.000) 4.191 1.044 ( -0.511 -1.560 0.000) 1.641 1.045 ( -9.783 1.305 0.000) 9.870 1.157 ( -4.382 -7.138 0.000) 8.375 1.171 ( -2.987 -0.666 0.000) 3.060 1.431 ( -11.201 1.273 0.000) 11.273 1.503 ( -3.032 -0.472 0.000) 3.069 1.504 ( -3.770 -1.313 0.000) 3.992 1.618 ( -1.864 0.127 0.000) 1.868 1.833 ( -4.495 2.036 0.000) 4.934 1.963 ( -14.781 -0.271 0.000) 14.783 2.114 ( 10.082 0.752 0.000) 10.110 2.361 ( -4.941 2.357 0.000) 5.474 2.384 ( -5.512 -0.768 0.000) 5.565 2.394 ( -10.549 -1.219 0.000) 10.619 2.675 ( -1.946 3.062 0.000) 3.628 2.733 ( -7.561 -1.506 0.000) 7.709 2.813 ( 2.069 0.217 0.000) 2.081 2.845 ( -2.070 -0.178 0.000) 2.078 3.020 ( 1.829 0.098 0.000) 1.832 3.254 ( -0.899 0.660 0.000) 1.116 3.454 ( -0.924 0.211 0.000) 0.948 3.587 ( -0.981 -0.755 0.000) 1.238 3.659 ( 3.436 0.322 0.000) 3.451 3.746 ( 0.662 0.828 0.000) 1.060 3.756 ( 0.770 -0.292 0.000) 0.823 3.759 ( -4.614 0.031 0.000) 4.614 3.853 ( -2.174 0.020 0.000) 2.174 4.082 ( 12.243 1.454 0.000) 12.329 4.166 ( -5.179 2.100 0.000) 5.589 4.167 ( -8.164 0.032 0.000) 8.164 4.202 ( -6.582 -2.424 0.000) 7.014 4.233 ( -5.195 -4.097 0.000) 6.616 4.235 ( 0.883 -0.237 0.000) 0.914 4.288 ( 8.518 -0.153 0.000) 8.519 4.734 ( 7.505 -0.165 0.000) 7.507 ======================= Grid point 56 (37/129) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.817 ( -13.495 2.132 0.000) 13.663 0.916 ( 1.376 14.857 0.000) 14.921 1.050 ( 1.401 -2.885 0.000) 3.207 1.132 ( -0.404 0.315 0.000) 0.512 1.223 ( -9.588 -0.818 0.000) 9.623 1.227 ( 1.353 -9.798 0.000) 9.892 1.435 ( -8.033 -1.563 0.000) 8.184 1.474 ( -0.562 -0.007 0.000) 0.562 1.583 ( -15.984 -2.138 0.000) 16.127 1.598 ( -0.967 -0.122 0.000) 0.975 1.751 ( -6.681 -0.675 0.000) 6.715 2.141 ( -12.825 0.011 0.000) 12.825 2.222 ( -9.424 3.603 0.000) 10.089 2.289 ( 6.223 -0.918 0.000) 6.290 2.316 ( -0.359 1.551 0.000) 1.592 2.544 ( -7.190 3.896 0.000) 8.178 2.645 ( -5.099 -2.807 0.000) 5.820 2.780 ( -4.500 -0.335 0.000) 4.512 2.885 ( 4.170 -0.332 0.000) 4.183 3.009 ( -2.886 -0.368 0.000) 2.910 3.273 ( 2.790 1.025 0.000) 2.973 3.412 ( -5.195 0.529 0.000) 5.222 3.590 ( 0.719 -0.477 0.000) 0.863 3.639 ( -6.330 -0.767 0.000) 6.377 3.673 ( -13.017 -1.675 0.000) 13.124 3.702 ( 1.498 0.345 0.000) 1.537 3.746 ( -0.472 0.373 0.000) 0.601 3.830 ( 1.354 -1.090 0.000) 1.738 4.033 ( -3.651 1.339 0.000) 3.889 4.053 ( -3.927 -1.024 0.000) 4.058 4.126 ( -3.394 0.157 0.000) 3.398 4.156 ( -3.832 -3.053 0.000) 4.900 4.238 ( -0.045 -0.106 0.000) 0.115 4.329 ( 9.590 -2.811 0.000) 9.993 4.476 ( 10.338 1.225 0.000) 10.410 4.914 ( 11.292 0.340 0.000) 11.297 ======================= Grid point 57 (38/129) ======================= q-point: (-0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.551 ( -12.405 1.929 0.000) 12.554 0.910 ( 7.653 17.331 0.000) 18.945 1.018 ( -15.980 -1.346 0.000) 16.036 1.092 ( -4.799 0.075 0.000) 4.800 1.148 ( 3.379 -4.200 0.000) 5.391 1.173 ( 4.748 -0.285 0.000) 4.757 1.368 ( -1.821 -5.563 0.000) 5.853 1.442 ( -6.882 4.528 0.000) 8.238 1.457 ( -2.244 -0.346 0.000) 2.271 1.577 ( -1.039 0.512 0.000) 1.159 1.623 ( -6.444 -2.483 0.000) 6.905 1.923 ( -9.544 -2.304 0.000) 9.818 2.072 ( -4.040 1.216 0.000) 4.219 2.324 ( 1.675 -0.583 0.000) 1.774 2.402 ( 5.190 -0.081 0.000) 5.190 2.414 ( -4.184 2.001 0.000) 4.638 2.587 ( -2.181 -5.196 0.000) 5.635 2.694 ( -4.671 -0.872 0.000) 4.752 2.938 ( -4.423 -1.584 0.000) 4.698 2.962 ( 4.134 -0.460 0.000) 4.159 3.236 ( -11.161 0.040 0.000) 11.161 3.309 ( -1.088 1.678 0.000) 2.000 3.371 ( -16.401 -4.559 0.000) 17.023 3.592 ( -0.440 -1.199 0.000) 1.277 3.609 ( 0.941 -0.125 0.000) 0.949 3.718 ( 0.520 0.082 0.000) 0.526 3.737 ( -0.051 0.910 0.000) 0.911 3.875 ( 1.948 -1.660 0.000) 2.559 4.002 ( 0.821 2.880 0.000) 2.995 4.018 ( -1.036 -1.308 0.000) 1.668 4.067 ( -2.536 0.320 0.000) 2.556 4.097 ( -3.990 -1.811 0.000) 4.382 4.238 ( -0.034 -0.216 0.000) 0.218 4.485 ( 5.063 -3.647 0.000) 6.240 4.626 ( 6.373 2.739 0.000) 6.937 5.114 ( 9.263 0.760 0.000) 9.294 ======================= Grid point 58 (39/129) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.403 ( -0.000 2.898 0.000) 2.898 0.835 ( -0.000 0.902 0.000) 0.902 0.966 ( -0.000 8.389 0.000) 8.389 1.043 ( -0.000 1.181 0.000) 1.181 1.203 ( -0.000 15.584 0.000) 15.584 1.264 ( 0.000 -3.201 0.000) 3.201 1.291 ( 0.000 -0.841 0.000) 0.841 1.321 ( 0.000 -0.784 0.000) 0.784 1.400 ( -0.000 1.484 0.000) 1.484 1.566 ( 0.000 -0.148 0.000) 0.148 1.606 ( 0.000 -8.531 0.000) 8.531 1.847 ( 0.000 -2.957 0.000) 2.957 2.038 ( 0.000 -0.259 0.000) 0.259 2.357 ( 0.000 -2.044 0.000) 2.044 2.369 ( -0.000 1.271 0.000) 1.271 2.462 ( 0.000 -0.188 0.000) 0.188 2.645 ( 0.000 -1.247 0.000) 1.247 2.650 ( 0.000 -11.205 0.000) 11.205 2.898 ( 0.000 -2.532 0.000) 2.532 3.061 ( 0.000 -0.277 0.000) 0.277 3.064 ( 0.000 -0.469 0.000) 0.469 3.126 ( 0.000 -1.132 0.000) 1.132 3.326 ( -0.000 3.564 0.000) 3.564 3.599 ( 0.000 -1.471 0.000) 1.471 3.619 ( -0.000 0.062 0.000) 0.062 3.723 ( 0.000 -0.099 0.000) 0.099 3.732 ( -0.000 0.914 0.000) 0.914 3.907 ( 0.000 -2.214 0.000) 2.214 4.014 ( -0.000 3.242 0.000) 3.242 4.018 ( 0.000 -1.585 0.000) 1.585 4.035 ( -0.000 0.621 0.000) 0.621 4.041 ( -0.000 0.197 0.000) 0.197 4.240 ( 0.000 -0.287 0.000) 0.287 4.556 ( 0.000 -4.564 0.000) 4.564 4.668 ( -0.000 3.879 0.000) 3.879 5.206 ( -0.000 0.421 0.000) 0.421 ======================= Grid point 67 (40/129) ======================= q-point: (-0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.829 ( -13.797 0.000 0.000) 13.797 1.025 ( -0.762 0.000 0.000) 0.762 1.073 ( 3.068 -0.000 0.000) 3.068 1.106 ( 6.686 -0.000 0.000) 6.686 1.134 ( -0.184 0.000 0.000) 0.184 1.218 ( -9.503 0.000 0.000) 9.503 1.426 ( -9.354 0.000 0.000) 9.354 1.475 ( -0.684 0.000 0.000) 0.684 1.570 ( -18.329 0.000 0.000) 18.329 1.597 ( -0.876 0.000 0.000) 0.876 1.748 ( -5.988 0.000 0.000) 5.988 2.142 ( -14.368 0.000 0.000) 14.368 2.244 ( -9.090 0.000 0.000) 9.090 2.283 ( 7.597 -0.000 0.000) 7.597 2.325 ( -0.973 0.000 0.000) 0.973 2.578 ( -7.779 0.000 0.000) 7.779 2.617 ( -5.470 0.000 0.000) 5.470 2.778 ( -4.625 0.000 0.000) 4.625 2.883 ( 4.149 -0.000 0.000) 4.149 3.006 ( -3.143 0.000 0.000) 3.143 3.279 ( 3.027 -0.000 0.000) 3.027 3.415 ( -5.238 0.000 0.000) 5.238 3.587 ( 0.940 -0.000 0.000) 0.940 3.635 ( -6.532 0.000 0.000) 6.532 3.663 ( -14.866 0.000 0.000) 14.866 3.704 ( 1.401 -0.000 0.000) 1.401 3.748 ( -0.245 0.000 0.000) 0.245 3.824 ( 1.467 -0.000 0.000) 1.467 4.043 ( -3.059 0.000 0.000) 3.059 4.047 ( -3.903 0.000 0.000) 3.903 4.119 ( -3.150 0.000 0.000) 3.150 4.145 ( -4.067 0.000 0.000) 4.067 4.238 ( -0.061 0.000 0.000) 0.061 4.312 ( 10.144 -0.000 0.000) 10.144 4.483 ( 10.617 -0.000 0.000) 10.617 4.915 ( 11.468 -0.000 0.000) 11.468 ======================= Grid point 69 (41/129) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.562 ( -13.184 0.311 0.000) 13.188 0.999 ( -15.371 0.554 0.000) 15.381 1.060 ( 1.682 2.385 0.000) 2.918 1.091 ( -4.362 -0.035 0.000) 4.363 1.150 ( 5.275 8.901 0.000) 10.346 1.174 ( 4.255 0.136 0.000) 4.257 1.283 ( 1.705 -9.499 0.000) 9.651 1.453 ( -2.738 -0.679 0.000) 2.820 1.455 ( -1.912 -0.023 0.000) 1.912 1.582 ( -0.627 0.303 0.000) 0.696 1.619 ( -6.609 0.602 0.000) 6.637 1.903 ( -10.309 -1.015 0.000) 10.359 2.091 ( -5.893 1.442 0.000) 6.067 2.319 ( 0.633 -0.242 0.000) 0.677 2.402 ( 5.163 -0.054 0.000) 5.163 2.440 ( -5.197 2.335 0.000) 5.697 2.528 ( -4.425 -4.216 0.000) 6.112 2.687 ( -4.790 -0.315 0.000) 4.800 2.923 ( -4.987 -0.773 0.000) 5.046 2.959 ( 4.189 -0.162 0.000) 4.193 3.237 ( -11.415 0.016 0.000) 11.415 3.310 ( -13.320 -0.811 0.000) 13.345 3.351 ( -2.295 0.155 0.000) 2.300 3.582 ( -0.365 -0.414 0.000) 0.552 3.608 ( 0.996 -0.068 0.000) 0.998 3.719 ( 0.381 0.029 0.000) 0.383 3.745 ( 0.036 0.393 0.000) 0.395 3.861 ( 1.678 -0.695 0.000) 1.817 4.008 ( -0.972 -0.452 0.000) 1.072 4.031 ( 0.912 1.923 0.000) 2.128 4.068 ( -2.394 -0.282 0.000) 2.411 4.080 ( -2.851 -0.948 0.000) 3.004 4.237 ( -0.062 -0.087 0.000) 0.107 4.455 ( 4.890 -1.430 0.000) 5.095 4.647 ( 6.637 0.963 0.000) 6.706 5.119 ( 9.106 0.246 0.000) 9.110 ======================= Grid point 70 (42/129) ======================= q-point: (-0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.417 ( 0.000 -0.007 0.000) 0.007 0.801 ( 0.000 -3.527 0.000) 3.527 1.050 ( -0.000 0.289 0.000) 0.289 1.100 ( -0.000 11.900 0.000) 11.900 1.219 ( 0.000 -2.723 0.000) 2.723 1.243 ( 0.000 -0.842 0.000) 0.842 1.295 ( 0.000 -4.088 0.000) 4.088 1.395 ( -0.000 7.511 0.000) 7.511 1.414 ( -0.000 0.871 0.000) 0.871 1.550 ( 0.000 -0.148 0.000) 0.148 1.571 ( -0.000 0.928 0.000) 0.928 1.813 ( 0.000 -2.725 0.000) 2.725 2.034 ( 0.000 -0.305 0.000) 0.305 2.338 ( 0.000 -1.142 0.000) 1.142 2.382 ( -0.000 1.317 0.000) 1.317 2.460 ( 0.000 -0.138 0.000) 0.138 2.530 ( 0.000 -9.228 0.000) 9.228 2.634 ( 0.000 -0.735 0.000) 0.735 2.874 ( 0.000 -1.592 0.000) 1.592 3.058 ( 0.000 -0.126 0.000) 0.126 3.060 ( 0.000 -0.271 0.000) 0.271 3.116 ( 0.000 -0.634 0.000) 0.634 3.362 ( -0.000 2.506 0.000) 2.506 3.586 ( 0.000 -0.764 0.000) 0.764 3.619 ( 0.000 -0.107 0.000) 0.107 3.722 ( 0.000 -0.067 0.000) 0.067 3.743 ( -0.000 0.779 0.000) 0.779 3.885 ( 0.000 -1.558 0.000) 1.558 4.004 ( 0.000 -0.840 0.000) 0.840 4.041 ( -0.000 0.372 0.000) 0.372 4.043 ( -0.000 0.104 0.000) 0.104 4.043 ( -0.000 1.887 0.000) 1.887 4.237 ( 0.000 -0.187 0.000) 0.187 4.513 ( 0.000 -2.854 0.000) 2.854 4.702 ( -0.000 2.108 0.000) 2.108 5.210 ( -0.000 0.252 0.000) 0.252 ======================= Grid point 82 (43/129) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.415 ( -0.000 0.000 0.000) 0.000 0.779 ( -0.000 0.000 0.000) 0.000 1.052 ( -0.000 0.000 0.000) 0.000 1.197 ( -0.000 0.000 0.000) 0.000 1.202 ( -0.000 0.000 0.000) 0.000 1.239 ( -0.000 0.000 0.000) 0.000 1.243 ( 0.000 -0.000 0.000) 0.000 1.419 ( -0.000 0.000 0.000) 0.000 1.422 ( -0.000 0.000 0.000) 0.000 1.569 ( -0.000 0.000 0.000) 0.000 1.578 ( -0.000 0.000 0.000) 0.000 1.796 ( -0.000 0.000 0.000) 0.000 2.032 ( -0.000 0.000 0.000) 0.000 2.332 ( -0.000 0.000 0.000) 0.000 2.395 ( -0.000 0.000 0.000) 0.000 2.459 ( -0.000 0.000 0.000) 0.000 2.468 ( -0.000 0.000 0.000) 0.000 2.629 ( -0.000 0.000 0.000) 0.000 2.864 ( -0.000 0.000 0.000) 0.000 3.058 ( -0.000 0.000 0.000) 0.000 3.059 ( -0.000 0.000 0.000) 0.000 3.112 ( -0.000 0.000 0.000) 0.000 3.377 ( -0.000 0.000 0.000) 0.000 3.582 ( -0.000 0.000 0.000) 0.000 3.618 ( -0.000 0.000 0.000) 0.000 3.722 ( -0.000 0.000 0.000) 0.000 3.748 ( 0.000 -0.000 0.000) 0.000 3.875 ( -0.000 0.000 0.000) 0.000 3.999 ( -0.000 0.000 0.000) 0.000 4.043 ( 0.000 -0.000 0.000) 0.000 4.044 ( -0.000 0.000 0.000) 0.000 4.054 ( -0.000 0.000 0.000) 0.000 4.236 ( -0.000 0.000 0.000) 0.000 4.496 ( -0.000 0.000 0.000) 0.000 4.714 ( -0.000 0.000 0.000) 0.000 5.211 ( -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: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.278 ( 0.000 0.000 13.066) 13.066 0.407 ( 0.000 0.000 17.719) 17.719 0.679 ( 0.000 0.000 21.076) 21.076 0.877 ( 0.000 0.000 -2.475) 2.475 1.044 ( 0.000 0.000 -9.322) 9.322 1.270 ( 0.000 0.000 1.185) 1.185 1.336 ( 0.000 0.000 -1.039) 1.039 1.504 ( 0.000 0.000 -7.799) 7.799 1.567 ( 0.000 0.000 4.306) 4.306 1.700 ( 0.000 0.000 18.981) 18.981 1.775 ( 0.000 0.000 -6.858) 6.858 2.082 ( 0.000 0.000 4.641) 4.641 2.174 ( 0.000 0.000 5.615) 5.615 2.213 ( 0.000 0.000 2.060) 2.060 2.354 ( 0.000 0.000 -6.082) 6.082 2.440 ( 0.000 0.000 -1.094) 1.094 2.572 ( 0.000 0.000 -3.318) 3.318 2.756 ( 0.000 0.000 4.551) 4.551 2.914 ( 0.000 0.000 -18.753) 18.753 2.936 ( 0.000 0.000 -3.036) 3.036 3.110 ( 0.000 0.000 1.843) 1.843 3.165 ( 0.000 0.000 -0.487) 0.487 3.269 ( 0.000 0.000 -1.448) 1.448 3.282 ( 0.000 0.000 -6.815) 6.815 3.687 ( 0.000 0.000 2.241) 2.241 3.813 ( 0.000 0.000 -2.256) 2.256 3.866 ( 0.000 0.000 5.583) 5.583 3.966 ( 0.000 0.000 -1.152) 1.152 4.019 ( 0.000 0.000 0.360) 0.360 4.032 ( 0.000 0.000 -0.106) 0.106 4.058 ( 0.000 0.000 2.103) 2.103 4.099 ( 0.000 0.000 -0.079) 0.079 4.522 ( 0.000 0.000 2.473) 2.473 4.647 ( 0.000 0.000 -0.797) 0.797 4.870 ( 0.000 0.000 2.968) 2.968 5.053 ( 0.000 0.000 -2.986) 2.986 ======================= Grid point 152 (45/129) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.457 ( 13.523 4.233 9.317) 16.959 0.532 ( 13.852 -7.800 7.789) 17.702 0.929 ( 14.198 -2.419 -0.380) 14.408 0.942 ( 11.924 -3.050 14.036) 18.668 1.071 ( 2.287 -0.720 -9.399) 9.700 1.297 ( 2.251 1.724 1.647) 3.279 1.319 ( 0.601 -0.094 0.631) 0.876 1.528 ( 1.193 0.821 -4.184) 4.428 1.588 ( 3.007 1.612 4.070) 5.311 1.711 ( 2.298 1.715 16.342) 16.592 1.840 ( 3.731 -0.896 -4.561) 5.961 1.993 ( -2.507 0.446 2.952) 3.899 2.195 ( -0.334 1.042 1.684) 2.008 2.255 ( 2.720 0.541 1.579) 3.191 2.329 ( -2.388 -1.314 -4.051) 4.883 2.486 ( 3.543 -0.077 0.677) 3.608 2.508 ( -0.152 -0.937 1.664) 1.916 2.777 ( 2.136 0.305 2.886) 3.604 2.843 ( -3.869 -0.396 -11.456) 12.099 2.969 ( 0.358 0.206 -4.785) 4.803 3.207 ( 5.479 0.688 -6.840) 8.791 3.230 ( -0.740 -0.229 -2.971) 3.070 3.275 ( 1.308 -0.172 -2.979) 3.258 3.430 ( 13.419 0.773 -9.793) 16.630 3.700 ( 0.949 -0.275 2.421) 2.615 3.837 ( 1.203 0.105 -2.191) 2.502 3.869 ( 0.724 0.061 5.569) 5.616 3.945 ( -0.964 0.124 -0.396) 1.050 3.984 ( -0.520 0.826 1.803) 2.050 4.036 ( 1.364 -0.137 -0.434) 1.438 4.122 ( 2.869 1.028 0.706) 3.128 4.164 ( 6.298 0.984 -1.674) 6.590 4.478 ( -4.940 -1.288 1.983) 5.477 4.566 ( -7.031 2.635 0.206) 7.511 4.826 ( -2.888 5.102 5.017) 7.716 4.946 ( -7.965 -3.643 1.079) 8.824 ======================= Grid point 153 (46/129) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.737 ( 17.162 2.281 4.666) 17.931 0.856 ( 17.104 -0.454 5.599) 18.003 1.081 ( 7.808 1.762 -3.791) 8.857 1.142 ( 6.400 -2.804 -5.356) 8.804 1.290 ( 9.163 -1.150 3.976) 10.054 1.340 ( 4.178 2.555 0.556) 4.929 1.402 ( 8.841 -3.344 3.730) 10.162 1.523 ( -0.897 1.056 -1.214) 1.843 1.667 ( 6.540 0.627 7.610) 10.053 1.776 ( 4.420 -0.031 14.189) 14.862 1.798 ( -3.118 -0.239 2.487) 3.996 2.126 ( 9.704 -0.010 -4.348) 10.634 2.147 ( -2.268 -0.227 -4.280) 4.849 2.276 ( 3.246 1.478 2.513) 4.364 2.349 ( 1.778 -2.368 1.070) 3.149 2.486 ( -0.281 2.885 3.603) 4.624 2.601 ( 5.196 -0.232 -0.948) 5.287 2.794 ( -1.421 -2.124 -8.119) 8.512 2.829 ( 3.038 0.082 1.257) 3.288 2.963 ( -1.087 -1.013 -0.021) 1.486 3.174 ( -2.911 -0.545 -3.392) 4.503 3.193 ( -3.086 0.036 -15.775) 16.074 3.439 ( 9.728 -0.452 0.401) 9.746 3.583 ( 4.290 -0.148 -5.111) 6.675 3.712 ( 0.017 -0.096 2.267) 2.269 3.821 ( -1.807 0.826 -0.467) 2.040 3.893 ( 1.480 0.692 5.327) 5.572 3.918 ( -1.930 0.792 1.220) 2.417 4.034 ( 5.197 0.727 -1.025) 5.347 4.067 ( 1.916 -0.281 -1.638) 2.536 4.183 ( 3.703 2.329 1.395) 4.591 4.238 ( 1.327 0.295 -0.269) 1.386 4.376 ( -5.697 -1.430 1.074) 5.971 4.394 ( -9.003 0.169 1.121) 9.074 4.738 ( -2.312 6.117 5.497) 8.543 4.846 ( -4.792 -1.534 0.054) 5.032 ======================= Grid point 154 (47/129) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.019 ( 12.697 -0.264 3.977) 13.307 1.160 ( 16.301 5.671 4.951) 17.955 1.210 ( 8.432 1.196 -2.557) 8.892 1.308 ( 7.452 0.994 -0.700) 7.550 1.361 ( 2.731 2.910 0.096) 3.992 1.414 ( 3.812 0.132 0.614) 3.864 1.495 ( -0.389 1.662 -0.323) 1.737 1.539 ( 4.736 -1.118 -1.852) 5.207 1.731 ( -1.042 -2.132 2.616) 3.532 1.786 ( 3.206 -1.452 12.730) 13.207 1.896 ( 0.532 0.845 3.259) 3.408 2.103 ( -0.217 -1.851 3.452) 3.923 2.267 ( 2.025 0.264 -1.469) 2.516 2.382 ( 9.947 -1.467 4.873) 11.174 2.458 ( 6.420 -0.262 -0.604) 6.453 2.488 ( 4.563 -0.165 -0.044) 4.566 2.640 ( -0.826 -0.676 -6.819) 6.902 2.835 ( 4.344 -0.737 -1.169) 4.559 2.871 ( 0.959 0.154 1.245) 1.579 2.936 ( -2.649 -2.585 3.496) 5.091 3.132 ( -1.057 -0.007 -8.583) 8.648 3.176 ( 1.185 -1.339 -13.847) 13.962 3.580 ( 4.641 -0.820 -0.252) 4.720 3.614 ( -1.079 -0.901 -0.174) 1.417 3.703 ( -0.898 -0.320 1.902) 2.127 3.779 ( -2.231 0.805 -0.738) 2.484 3.883 ( -1.021 1.363 1.016) 1.983 3.898 ( -0.395 0.986 2.246) 2.484 4.044 ( -5.756 -1.110 2.683) 6.447 4.133 ( 3.281 -0.145 -1.691) 3.694 4.169 ( -2.967 0.054 0.837) 3.083 4.220 ( 0.579 0.447 -1.733) 1.881 4.332 ( 1.466 0.704 3.202) 3.591 4.342 ( 2.078 0.409 1.860) 2.818 4.675 ( -1.098 5.526 4.133) 6.988 4.774 ( -3.146 1.731 -0.414) 3.615 ======================= Grid point 155 (48/129) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.195 ( 5.951 0.608 1.926) 6.285 1.306 ( 2.974 4.204 0.667) 5.192 1.350 ( 4.250 4.994 1.095) 6.648 1.381 ( 1.538 4.669 -0.762) 4.975 1.415 ( 1.197 1.981 2.227) 3.212 1.455 ( 8.405 -1.007 5.085) 9.876 1.519 ( 2.939 0.864 -3.247) 4.464 1.657 ( 3.916 -1.901 -1.525) 4.613 1.769 ( 4.366 -2.470 1.718) 5.303 1.838 ( -1.912 0.377 12.925) 13.071 1.879 ( 7.288 1.139 1.338) 7.496 2.031 ( -4.706 0.951 5.669) 7.429 2.269 ( -3.214 -3.485 -2.965) 5.592 2.435 ( -5.453 -4.115 0.182) 6.834 2.503 ( -5.878 0.045 -2.686) 6.463 2.697 ( 16.127 -0.978 1.062) 16.192 2.750 ( 10.280 -2.082 -4.799) 11.535 2.844 ( -3.022 -0.350 0.609) 3.103 2.860 ( -2.926 -1.066 0.288) 3.127 2.979 ( 6.567 1.003 2.764) 7.195 3.145 ( 3.115 0.704 -8.441) 9.025 3.248 ( 4.973 -1.996 -10.802) 12.058 3.568 ( -3.564 -0.797 1.861) 4.099 3.609 ( -2.101 -1.224 -0.503) 2.483 3.697 ( 0.077 -0.976 1.037) 1.426 3.728 ( -2.749 0.006 -0.255) 2.761 3.836 ( -2.219 0.857 1.266) 2.694 3.904 ( 1.302 0.772 -1.091) 1.866 3.959 ( -2.499 -0.316 5.586) 6.128 4.078 ( -3.699 -0.618 -0.884) 3.853 4.223 ( 3.361 -0.258 -0.023) 3.371 4.255 ( 2.064 0.146 -1.028) 2.311 4.340 ( 0.463 0.289 5.489) 5.516 4.416 ( 4.486 1.496 0.370) 4.744 4.628 ( -0.967 4.717 2.773) 5.557 4.703 ( -3.028 2.923 -0.343) 4.223 ======================= Grid point 156 (49/129) ======================= q-point: ( 0.42 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.203 ( -2.424 5.089 1.582) 5.855 1.307 ( -0.242 2.440 2.621) 3.589 1.340 ( 0.453 0.502 -0.179) 0.699 1.389 ( 1.371 1.855 0.143) 2.311 1.445 ( 1.866 3.119 1.197) 3.826 1.538 ( 0.078 0.579 -1.453) 1.566 1.608 ( 4.619 -1.489 0.899) 4.936 1.657 ( -2.669 -2.370 1.432) 3.846 1.830 ( 0.522 -1.171 16.389) 16.439 1.894 ( 6.948 1.800 3.036) 7.793 2.017 ( 5.738 0.963 2.444) 6.311 2.066 ( 9.158 1.334 -1.267) 9.341 2.216 ( -2.035 -1.847 -4.444) 5.225 2.320 ( -8.758 -4.292 1.039) 9.808 2.378 ( -7.319 -1.659 -1.104) 7.586 2.711 ( -6.714 -1.590 -0.116) 6.901 2.760 ( -5.767 -0.391 -0.110) 5.781 2.881 ( 3.001 -0.177 -11.653) 12.035 3.031 ( 12.483 1.002 1.189) 12.580 3.091 ( 5.858 1.935 0.286) 6.176 3.239 ( 5.280 -1.412 -2.497) 6.009 3.356 ( 4.732 -1.059 -8.876) 10.114 3.515 ( -2.015 -0.252 1.777) 2.698 3.557 ( -2.853 -0.505 -0.161) 2.901 3.694 ( -1.081 -1.096 0.417) 1.595 3.700 ( -0.584 -0.918 0.235) 1.113 3.820 ( 0.144 -0.798 2.393) 2.527 3.903 ( -0.862 1.359 2.788) 3.219 3.952 ( 1.268 0.196 0.643) 1.435 4.029 ( -1.959 -0.215 -1.113) 2.263 4.268 ( 1.466 0.053 0.077) 1.469 4.283 ( 0.852 -0.387 -0.435) 1.032 4.347 ( 0.341 -0.005 7.153) 7.161 4.477 ( 2.721 0.782 0.252) 2.842 4.582 ( -1.383 3.579 0.669) 3.895 4.634 ( -2.664 1.745 0.064) 3.185 ======================= Grid point 157 (50/129) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.152 ( 0.000 -0.000 3.327) 3.327 1.294 ( 0.000 -0.000 3.173) 3.173 1.347 ( 0.000 -0.000 -1.371) 1.371 1.395 ( 0.000 -0.000 0.235) 0.235 1.470 ( 0.000 -0.000 -0.141) 0.141 1.500 ( 0.000 -0.000 1.459) 1.459 1.650 ( 0.000 0.000 2.356) 2.356 1.658 ( -0.000 -0.000 -4.476) 4.476 1.832 ( 0.000 -0.000 16.844) 16.844 1.966 ( 0.000 -0.000 4.546) 4.546 2.126 ( -0.000 -0.000 1.474) 1.474 2.158 ( 0.000 -0.000 -1.396) 1.396 2.180 ( 0.000 0.000 0.983) 0.983 2.267 ( -0.000 -0.000 -1.410) 1.410 2.274 ( 0.000 0.000 -2.784) 2.784 2.636 ( 0.000 -0.000 1.421) 1.421 2.691 ( 0.000 -0.000 -1.014) 1.014 2.907 ( 0.000 -0.000 -15.512) 15.512 3.147 ( 0.000 0.000 0.389) 0.389 3.148 ( 0.000 -0.000 0.561) 0.561 3.300 ( 0.000 -0.000 -0.751) 0.751 3.405 ( 0.000 -0.000 -7.848) 7.848 3.498 ( 0.000 -0.000 1.725) 1.725 3.533 ( 0.000 -0.000 -0.816) 0.816 3.690 ( 0.000 -0.000 0.510) 0.510 3.693 ( 0.000 -0.000 0.523) 0.523 3.830 ( 0.000 -0.000 2.810) 2.810 3.884 ( 0.000 -0.000 3.907) 3.907 3.971 ( -0.000 -0.000 -0.188) 0.188 4.007 ( 0.000 -0.000 -1.846) 1.846 4.281 ( 0.000 -0.000 0.005) 0.005 4.292 ( 0.000 -0.000 -0.379) 0.379 4.351 ( 0.000 -0.000 8.248) 8.248 4.504 ( 0.000 -0.000 0.872) 0.872 4.554 ( 0.000 -0.000 -0.572) 0.572 4.600 ( 0.000 -0.000 -0.177) 0.177 ======================= Grid point 165 (51/129) ======================= q-point: ( 0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.749 ( 15.309 -0.000 5.263) 16.188 0.859 ( 20.341 -0.000 2.563) 20.502 1.102 ( 11.111 -0.000 -2.069) 11.302 1.115 ( 3.603 -0.000 -7.021) 7.891 1.274 ( 13.681 -0.000 7.280) 15.497 1.356 ( 3.046 -0.000 1.069) 3.228 1.387 ( 7.151 -0.000 2.825) 7.689 1.529 ( -0.927 0.000 -1.814) 2.037 1.671 ( 5.758 -0.000 8.288) 10.092 1.776 ( 5.066 -0.000 13.173) 14.114 1.796 ( -5.465 0.000 2.853) 6.165 2.126 ( 12.404 -0.000 -6.480) 13.994 2.145 ( -4.045 0.000 -2.339) 4.673 2.288 ( 0.424 -0.000 1.925) 1.972 2.332 ( 4.047 -0.000 1.063) 4.184 2.505 ( -0.485 0.000 4.212) 4.239 2.599 ( 5.937 -0.000 -0.222) 5.942 2.781 ( -1.803 0.000 -8.281) 8.475 2.829 ( 3.042 -0.000 1.028) 3.211 2.957 ( -1.552 0.000 0.144) 1.559 3.170 ( -3.282 0.000 -3.439) 4.754 3.194 ( -2.992 0.000 -15.954) 16.233 3.437 ( 9.627 -0.000 0.387) 9.634 3.582 ( 3.999 -0.000 -5.128) 6.503 3.711 ( 0.043 -0.000 2.368) 2.368 3.826 ( -1.836 0.000 -0.575) 1.924 3.897 ( 1.634 -0.000 5.464) 5.703 3.923 ( -1.889 0.000 1.202) 2.239 4.038 ( 5.221 -0.000 -1.378) 5.399 4.065 ( 1.608 -0.000 -1.416) 2.142 4.199 ( 4.239 -0.000 1.123) 4.385 4.237 ( 0.230 -0.000 0.353) 0.422 4.367 ( -4.900 0.000 1.014) 5.003 4.395 ( -9.949 0.000 0.532) 9.963 4.781 ( -3.539 0.000 3.296) 4.836 4.831 ( -3.077 0.000 1.645) 3.490 ======================= Grid point 166 (52/129) ======================= q-point: ( 0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.014 ( 12.380 -0.360 4.624) 13.220 1.214 ( 11.832 0.535 -3.272) 12.288 1.218 ( 13.449 2.886 1.683) 13.858 1.315 ( 10.116 0.309 0.023) 10.121 1.390 ( 2.028 2.079 1.120) 3.113 1.409 ( 2.633 -1.004 1.707) 3.294 1.508 ( -0.584 0.697 -0.149) 0.922 1.526 ( 5.790 -0.905 -1.550) 6.062 1.713 ( -2.667 -0.884 3.022) 4.126 1.775 ( 4.457 -0.526 11.468) 12.315 1.902 ( 2.976 0.158 4.984) 5.807 2.087 ( -0.591 -0.775 3.016) 3.169 2.271 ( 0.504 0.268 -2.566) 2.629 2.369 ( 9.476 -0.690 3.802) 10.234 2.466 ( 5.965 1.375 0.551) 6.146 2.482 ( 3.928 -1.004 1.559) 4.344 2.631 ( -2.128 -0.595 -7.375) 7.699 2.830 ( 5.777 -0.147 -0.485) 5.799 2.871 ( 0.884 0.023 1.021) 1.351 2.914 ( -2.592 -1.038 4.067) 4.933 3.132 ( -0.256 0.061 -4.821) 4.828 3.164 ( 0.410 -0.611 -18.146) 18.161 3.574 ( 4.657 -0.293 -0.392) 4.683 3.607 ( -1.167 -0.325 -0.102) 1.216 3.701 ( -1.072 -0.085 2.083) 2.344 3.785 ( -2.485 0.296 -0.891) 2.657 3.895 ( -0.443 0.564 0.717) 1.014 3.905 ( -1.054 0.318 2.742) 2.955 4.036 ( -6.048 -0.412 2.730) 6.648 4.132 ( 2.867 -0.022 -2.016) 3.505 4.170 ( -3.587 0.014 0.951) 3.711 4.223 ( 0.647 0.159 -1.813) 1.931 4.336 ( 0.377 0.175 3.375) 3.400 4.345 ( 4.105 0.170 1.696) 4.445 4.716 ( -2.517 1.739 4.099) 5.115 4.790 ( -1.912 0.953 -0.617) 2.224 ======================= Grid point 167 (53/129) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.198 ( 6.929 0.102 2.789) 7.470 1.336 ( 3.447 1.570 -1.502) 4.075 1.392 ( 1.475 1.725 2.299) 3.230 1.402 ( -0.794 0.114 0.737) 1.089 1.453 ( 5.910 2.378 3.242) 7.148 1.460 ( 5.355 2.970 2.632) 6.665 1.524 ( 3.270 -0.035 -1.853) 3.759 1.634 ( 3.114 -1.753 -2.141) 4.166 1.751 ( 7.130 -0.725 2.013) 7.444 1.849 ( -2.840 1.170 13.397) 13.744 1.894 ( 8.680 1.218 -0.127) 8.766 2.048 ( -3.777 1.928 5.554) 6.988 2.224 ( -4.739 -3.990 -1.318) 6.333 2.396 ( -5.811 -2.663 0.950) 6.463 2.504 ( -6.968 0.056 -4.306) 8.191 2.690 ( 16.054 -0.093 1.041) 16.088 2.723 ( 10.443 -2.423 -3.871) 11.398 2.841 ( -2.414 -0.002 0.639) 2.498 2.851 ( -2.630 -0.671 0.812) 2.833 2.986 ( 7.482 0.394 3.728) 8.369 3.160 ( 3.521 1.705 -6.926) 7.954 3.224 ( 4.912 -2.056 -13.516) 14.527 3.561 ( -3.223 -0.411 1.981) 3.806 3.598 ( -2.159 -0.691 -0.437) 2.309 3.689 ( -0.047 -0.560 1.121) 1.253 3.729 ( -3.213 0.117 -0.361) 3.235 3.842 ( -3.331 0.340 1.105) 3.526 3.911 ( 1.560 0.419 -1.202) 2.014 3.957 ( -1.849 -0.076 5.758) 6.048 4.073 ( -3.471 -0.264 -0.785) 3.568 4.220 ( 3.256 -0.222 -0.031) 3.263 4.257 ( 1.953 0.202 -1.115) 2.258 4.342 ( 0.344 0.162 5.482) 5.495 4.428 ( 4.123 0.701 0.156) 4.185 4.666 ( -1.874 2.060 3.891) 4.785 4.735 ( -3.144 2.298 -1.014) 4.024 ======================= Grid point 168 (54/129) ======================= q-point: ( 0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.247 ( -1.410 2.245 0.536) 2.705 1.326 ( -1.756 1.495 0.522) 2.365 1.363 ( -1.809 2.686 2.137) 3.880 1.400 ( 1.715 0.886 1.952) 2.745 1.484 ( 0.252 2.665 1.987) 3.334 1.541 ( 1.483 0.524 1.393) 2.102 1.601 ( 3.128 0.130 -2.355) 3.917 1.630 ( -0.855 -2.006 -0.720) 2.297 1.822 ( 0.346 -0.132 17.084) 17.088 1.907 ( 5.669 0.096 2.994) 6.411 2.033 ( 5.274 1.657 2.170) 5.939 2.082 ( 9.532 1.420 -0.666) 9.660 2.180 ( -1.248 -4.210 -1.356) 4.596 2.280 ( -7.022 -2.787 -0.026) 7.555 2.360 ( -7.892 -1.278 -3.086) 8.569 2.697 ( -5.558 -0.900 -0.185) 5.633 2.756 ( -5.587 -0.309 0.176) 5.599 2.880 ( 2.871 -0.016 -10.792) 11.167 3.039 ( 13.819 0.428 1.833) 13.947 3.105 ( 5.039 0.626 1.778) 5.380 3.234 ( 4.299 0.503 -2.977) 5.253 3.341 ( 5.433 -1.404 -10.313) 11.741 3.514 ( -1.649 0.014 1.985) 2.581 3.553 ( -1.996 -0.229 -0.058) 2.010 3.682 ( -1.485 -0.898 0.418) 1.785 3.690 ( -0.415 -0.822 0.076) 0.924 3.812 ( -0.206 -0.543 2.563) 2.628 3.919 ( -0.752 1.322 2.840) 3.222 3.952 ( 1.134 -0.260 0.223) 1.185 4.027 ( -1.774 -0.087 -0.897) 1.990 4.267 ( 1.662 -0.253 0.124) 1.685 4.281 ( 0.694 0.037 -0.416) 0.810 4.347 ( 0.176 -0.003 6.867) 6.869 4.484 ( 2.175 0.385 0.004) 2.209 4.616 ( -2.286 2.333 1.916) 3.787 4.653 ( -3.898 1.617 -0.445) 4.243 ======================= Grid point 169 (55/129) ======================= q-point: ( 0.42 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.169 ( -3.202 2.673 2.549) 4.888 1.294 ( -1.330 -0.445 1.281) 1.900 1.329 ( -1.292 -1.313 1.134) 2.163 1.411 ( -0.407 1.846 -0.109) 1.893 1.483 ( -2.615 1.825 -0.138) 3.192 1.500 ( 1.739 0.116 2.061) 2.699 1.619 ( -0.826 -3.004 -0.528) 3.160 1.685 ( 2.662 2.218 -1.825) 3.917 1.832 ( 0.818 -0.034 16.952) 16.971 1.943 ( -2.361 -3.556 4.459) 6.173 2.109 ( -4.698 -1.569 1.926) 5.314 2.150 ( -0.168 -1.502 -2.389) 2.827 2.209 ( 7.352 3.460 1.353) 8.237 2.246 ( -3.847 -1.832 -2.308) 4.846 2.289 ( 4.585 1.020 -1.536) 4.942 2.640 ( 1.344 0.657 1.113) 1.865 2.691 ( 0.270 0.101 -0.945) 0.988 2.907 ( 0.157 0.003 -15.338) 15.339 3.137 ( -1.310 -0.723 0.921) 1.757 3.160 ( -1.589 1.164 -0.115) 1.973 3.299 ( 2.121 -0.102 -0.737) 2.248 3.402 ( 0.316 -0.392 -7.937) 7.953 3.499 ( 0.130 0.227 1.788) 1.807 3.537 ( 0.245 0.659 -0.759) 1.034 3.685 ( 0.791 -0.795 0.544) 1.247 3.692 ( 0.645 -0.236 0.429) 0.809 3.830 ( 1.514 0.044 3.064) 3.418 3.889 ( -1.422 0.689 3.855) 4.166 3.969 ( -0.285 -0.316 -0.280) 0.509 4.006 ( 0.027 -0.104 -1.892) 1.895 4.281 ( -0.236 0.029 -0.004) 0.238 4.291 ( 0.527 -0.027 -0.362) 0.639 4.350 ( 0.047 -0.171 8.111) 8.113 4.502 ( -0.482 -0.253 0.752) 0.928 4.557 ( -2.473 0.558 -0.572) 2.599 4.600 ( -0.973 -0.093 0.040) 0.978 ======================= Grid point 170 (56/129) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.149 ( 0.739 -3.973 2.732) 4.877 1.280 ( -1.310 -2.304 1.725) 3.162 1.324 ( -1.339 -3.480 -0.578) 3.773 1.369 ( -3.326 -0.112 -0.424) 3.355 1.427 ( -2.517 -0.707 1.058) 2.821 1.525 ( -1.234 -1.705 -2.885) 3.571 1.624 ( -2.182 0.954 2.367) 3.358 1.679 ( 0.917 1.465 2.600) 3.121 1.839 ( -1.747 -0.284 15.248) 15.351 1.885 ( -1.874 1.263 3.517) 4.181 2.016 ( -6.179 1.010 1.833) 6.524 2.051 ( -7.814 -1.407 -1.137) 8.021 2.225 ( 2.291 0.016 -4.743) 5.267 2.364 ( 9.123 2.420 0.787) 9.471 2.394 ( 6.988 1.647 0.204) 7.182 2.732 ( 7.444 2.068 -0.339) 7.733 2.764 ( 6.086 0.360 -0.407) 6.111 2.884 ( -2.933 0.377 -12.726) 13.065 3.018 ( -12.146 -1.194 0.487) 12.215 3.064 ( -7.110 -2.529 -0.820) 7.591 3.263 ( -4.994 2.748 -2.245) 6.126 3.364 ( -4.121 0.348 -7.626) 8.675 3.520 ( 2.401 0.507 1.673) 2.970 3.565 ( 3.394 0.842 -0.249) 3.506 3.705 ( 1.192 0.728 0.393) 1.451 3.709 ( 0.843 0.627 0.428) 1.134 3.830 ( -0.986 1.014 2.230) 2.641 3.890 ( 1.131 -0.890 3.012) 3.338 3.947 ( -1.345 -0.676 0.797) 1.703 4.032 ( 2.290 0.291 -1.334) 2.666 4.266 ( -1.424 -0.200 0.150) 1.446 4.289 ( -0.789 0.586 -0.598) 1.151 4.347 ( -0.446 -0.002 7.493) 7.506 4.466 ( -3.441 -1.142 0.421) 3.650 4.539 ( -0.581 -3.851 -0.106) 3.896 4.616 ( 1.870 -1.359 0.067) 2.313 ======================= Grid point 171 (57/129) ======================= q-point: (-0.42 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.178 ( -3.632 -3.008 0.435) 4.736 1.241 ( -4.744 -6.639 2.034) 8.410 1.289 ( -8.065 -5.260 3.219) 10.153 1.328 ( 0.330 -3.797 -1.750) 4.193 1.395 ( -1.914 -2.132 2.505) 3.806 1.472 ( -6.598 1.574 3.459) 7.614 1.509 ( -3.834 -0.602 -3.130) 4.986 1.671 ( -4.949 0.529 -2.754) 5.688 1.799 ( -2.932 2.372 5.860) 6.968 1.846 ( -0.459 1.910 10.883) 11.059 1.876 ( -4.210 0.882 -0.059) 4.302 2.030 ( 5.369 0.913 5.867) 8.005 2.298 ( 3.380 1.711 -4.206) 5.661 2.484 ( 4.688 4.311 -0.633) 6.400 2.501 ( 4.470 -0.353 -0.700) 4.538 2.708 ( -16.152 0.739 1.395) 16.229 2.768 ( -9.959 1.070 -5.901) 11.625 2.847 ( 2.993 0.126 0.698) 3.076 2.875 ( 3.284 1.544 -1.047) 3.777 2.961 ( -4.171 -2.123 0.255) 4.687 3.149 ( -3.680 1.564 -7.843) 8.804 3.268 ( -4.891 1.462 -8.931) 10.287 3.579 ( 3.912 1.030 1.733) 4.401 3.625 ( 2.177 1.479 -0.549) 2.688 3.710 ( -0.048 1.133 1.040) 1.539 3.729 ( 2.017 0.277 -0.112) 2.039 3.823 ( 0.868 -1.311 1.461) 2.146 3.894 ( -1.213 -1.027 -1.057) 1.909 3.965 ( 3.599 0.749 5.398) 6.531 4.087 ( 4.113 1.030 -0.978) 4.352 4.225 ( -3.291 0.054 0.064) 3.292 4.255 ( -2.406 0.253 -1.004) 2.619 4.336 ( -0.713 -0.383 5.421) 5.481 4.394 ( -5.097 -2.288 0.525) 5.612 4.562 ( -0.523 -6.797 2.040) 7.116 4.674 ( 3.080 -2.278 -0.040) 3.831 ======================= Grid point 172 (58/129) ======================= q-point: (-0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.007 ( -14.696 -2.667 3.235) 15.282 1.117 ( -11.400 -1.092 7.059) 13.453 1.180 ( -6.881 -4.122 -1.323) 8.130 1.290 ( -6.108 -2.273 2.472) 6.970 1.336 ( -3.034 -1.191 -3.622) 4.872 1.405 ( -6.143 -1.527 -0.978) 6.405 1.472 ( 0.189 -2.122 -0.664) 2.231 1.549 ( -3.731 0.418 -1.762) 4.148 1.754 ( -0.437 1.731 2.806) 3.325 1.806 ( -2.142 1.848 15.089) 15.352 1.888 ( 0.649 -0.129 0.045) 0.664 2.120 ( 1.261 0.874 3.559) 3.875 2.271 ( -5.284 1.088 -1.425) 5.580 2.396 ( -10.116 0.712 5.695) 11.630 2.468 ( -9.795 0.703 -0.771) 9.850 2.497 ( -1.820 2.277 -1.638) 3.344 2.646 ( -0.854 0.457 -6.514) 6.586 2.844 ( -2.710 0.782 -1.311) 3.111 2.869 ( -0.863 -0.071 1.255) 1.525 2.966 ( 2.381 2.508 1.862) 3.928 3.134 ( 1.772 0.413 -10.869) 11.020 3.192 ( -1.887 1.325 -10.561) 10.810 3.592 ( -4.608 1.180 0.057) 4.757 3.627 ( 0.911 1.275 -0.241) 1.586 3.708 ( 0.562 0.679 1.571) 1.802 3.768 ( 1.768 -1.048 -0.459) 2.106 3.866 ( 1.613 -1.704 1.296) 2.681 3.884 ( -0.313 -1.437 1.530) 2.122 4.060 ( 5.122 1.628 2.610) 5.975 4.136 ( -3.892 0.437 -1.148) 4.082 4.168 ( 1.528 -0.132 0.629) 1.657 4.214 ( -0.375 -0.641 -1.557) 1.725 4.320 ( -2.060 -1.451 2.788) 3.758 4.336 ( 0.272 -0.649 1.969) 2.091 4.596 ( -0.110 -8.097 4.977) 9.505 4.754 ( 4.453 -1.586 -0.611) 4.767 ======================= Grid point 173 (59/129) ======================= q-point: (-0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.712 ( -16.675 -1.125 5.500) 17.595 0.881 ( -12.862 3.800 8.152) 15.695 1.067 ( -6.446 -0.847 -3.814) 7.538 1.170 ( -5.960 1.959 -3.900) 7.387 1.274 ( -4.811 -3.637 0.853) 6.091 1.308 ( -4.644 -2.791 -1.205) 5.551 1.457 ( -7.867 4.783 2.648) 9.581 1.508 ( 0.616 -1.244 -0.173) 1.399 1.661 ( -9.353 -0.132 6.680) 11.494 1.777 ( -5.273 0.148 14.485) 15.416 1.800 ( 0.226 0.088 3.036) 3.046 2.123 ( -6.304 -0.740 -1.957) 6.642 2.146 ( 0.590 -0.514 -5.348) 5.405 2.264 ( -6.710 -0.585 2.978) 7.365 2.377 ( 0.783 2.354 2.051) 3.219 2.453 ( -1.314 -2.413 1.490) 3.126 2.604 ( -3.823 0.378 -2.715) 4.704 2.823 ( 0.732 2.609 -7.199) 7.692 2.827 ( -2.723 -0.050 1.566) 3.142 2.976 ( -0.134 1.043 -0.764) 1.300 3.181 ( 1.530 0.656 -4.300) 4.611 3.194 ( 3.779 0.231 -14.404) 14.893 3.446 ( -10.025 0.800 0.456) 10.068 3.585 ( -5.216 0.102 -5.002) 7.228 3.713 ( 0.008 0.206 2.004) 2.014 3.808 ( 1.775 -1.317 -0.199) 2.219 3.881 ( -1.076 -1.318 4.957) 5.240 3.905 ( 1.883 -1.425 1.352) 2.721 4.024 ( -5.370 -0.857 -0.466) 5.458 4.069 ( -2.527 -0.094 -1.950) 3.193 4.155 ( -3.467 -2.370 1.661) 4.516 4.227 ( -2.747 -1.721 -1.259) 3.478 4.384 ( 7.741 -0.478 2.754) 8.230 4.403 ( 6.438 2.090 1.126) 6.862 4.660 ( 2.609 -7.177 8.226) 11.224 4.859 ( 6.590 0.841 -1.540) 6.820 ======================= Grid point 174 (60/129) ======================= q-point: (-0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.460 ( -7.166 5.278 9.828) 13.259 0.621 ( -10.378 7.979 9.073) 15.927 0.948 ( -5.696 1.945 -5.192) 7.949 1.026 ( -16.415 8.986 10.111) 21.271 1.088 ( -5.775 2.823 -3.943) 7.541 1.268 ( 0.224 -3.004 0.564) 3.065 1.315 ( -1.615 -0.634 1.314) 2.176 1.512 ( -1.952 -1.875 -2.238) 3.512 1.556 ( -3.908 -3.876 3.715) 6.640 1.680 ( -4.590 -3.509 9.581) 11.189 1.849 ( 0.247 0.031 3.570) 3.578 1.987 ( -0.864 -0.325 1.970) 2.175 2.174 ( -4.348 -2.421 3.601) 6.142 2.244 ( 4.057 -1.075 -3.160) 5.254 2.353 ( -0.648 2.135 -2.386) 3.267 2.474 ( 0.668 -1.619 2.495) 3.048 2.535 ( -1.273 2.884 -2.333) 3.922 2.771 ( -2.502 -0.666 2.968) 3.938 2.852 ( 3.211 1.331 -10.918) 11.458 2.964 ( -1.014 -0.786 -4.989) 5.151 3.197 ( -2.736 -0.850 -6.127) 6.764 3.232 ( -4.322 0.057 -2.779) 5.139 3.278 ( 0.153 0.231 -4.359) 4.368 3.413 ( -14.320 -2.229 -8.643) 16.874 3.705 ( -0.530 0.624 2.281) 2.424 3.835 ( -0.270 -0.341 -1.632) 1.689 3.868 ( -0.425 -0.238 5.353) 5.375 3.942 ( 1.038 -0.511 -0.277) 1.189 3.967 ( -0.060 -2.045 2.571) 3.286 4.038 ( -1.176 0.110 -0.787) 1.420 4.102 ( -2.792 -2.208 0.765) 3.641 4.144 ( -6.691 -2.400 -1.520) 7.269 4.503 ( 5.078 3.007 1.825) 6.178 4.517 ( 4.168 -5.298 4.957) 8.367 4.763 ( 3.754 -5.005 8.840) 10.831 4.987 ( 8.045 3.180 -3.120) 9.196 ======================= Grid point 175 (61/129) ======================= q-point: (-0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.369 ( -0.000 13.224 8.984) 15.987 0.471 ( -0.000 10.506 14.776) 18.130 0.718 ( -0.000 6.866 18.015) 19.279 0.892 ( -0.000 2.765 -0.857) 2.895 1.040 ( 0.000 -0.751 -7.897) 7.932 1.270 ( -0.000 0.123 0.596) 0.609 1.336 ( -0.000 0.010 -1.315) 1.315 1.483 ( 0.000 -3.633 -5.496) 6.588 1.543 ( 0.000 -3.831 4.328) 5.780 1.665 ( 0.000 -4.770 9.986) 11.067 1.809 ( -0.000 4.351 1.124) 4.493 2.083 ( -0.000 0.202 4.521) 4.525 2.098 ( 0.000 -8.600 5.564) 10.243 2.270 ( -0.000 5.105 1.385) 5.289 2.349 ( 0.000 -0.900 -5.930) 5.998 2.466 ( -0.000 3.328 -1.198) 3.537 2.565 ( 0.000 -0.569 -5.560) 5.589 2.751 ( 0.000 -0.882 4.504) 4.590 2.917 ( -0.000 0.563 -18.693) 18.701 2.931 ( 0.000 -0.938 -3.023) 3.165 3.107 ( 0.000 -0.442 1.795) 1.848 3.161 ( 0.000 -0.670 -0.469) 0.818 3.250 ( 0.000 -2.081 -2.208) 3.034 3.295 ( -0.000 1.139 -6.573) 6.671 3.693 ( -0.000 1.004 2.133) 2.357 3.818 ( -0.000 0.845 -1.962) 2.136 3.867 ( -0.000 0.171 5.203) 5.206 3.962 ( 0.000 -0.628 -0.976) 1.161 4.020 ( -0.000 0.271 0.349) 0.441 4.033 ( -0.000 0.167 -0.097) 0.193 4.034 ( 0.000 -3.926 3.073) 4.986 4.089 ( 0.000 -1.735 -0.130) 1.740 4.537 ( -0.000 2.475 2.239) 3.337 4.598 ( 0.000 -7.624 4.046) 8.631 4.828 ( 0.000 -4.898 7.579) 9.024 5.073 ( -0.000 2.384 -5.494) 5.989 ======================= Grid point 178 (62/129) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.199 ( 7.227 -0.000 3.044) 7.842 1.345 ( 4.850 -0.000 -2.095) 5.283 1.397 ( -0.604 0.000 1.032) 1.196 1.401 ( -0.753 0.000 3.427) 3.508 1.469 ( 5.862 -0.000 1.798) 6.132 1.483 ( 5.424 -0.000 2.987) 6.192 1.520 ( 2.523 -0.000 -0.477) 2.568 1.624 ( 3.015 -0.000 -3.162) 4.369 1.748 ( 8.657 -0.000 2.246) 8.943 1.857 ( -2.902 0.000 13.679) 13.984 1.902 ( 8.823 -0.000 -1.079) 8.889 2.063 ( -2.461 0.000 5.387) 5.923 2.196 ( -6.625 0.000 -0.486) 6.643 2.380 ( -5.904 0.000 1.267) 6.038 2.504 ( -7.283 0.000 -4.901) 8.779 2.694 ( 20.081 -0.000 4.883) 20.667 2.704 ( 6.487 -0.000 -7.331) 9.789 2.842 ( -1.080 0.000 0.644) 1.258 2.846 ( -3.581 0.000 0.950) 3.705 2.988 ( 7.649 -0.000 3.918) 8.594 3.174 ( 3.988 -0.000 -3.109) 5.057 3.209 ( 4.745 -0.000 -17.640) 18.267 3.559 ( -3.073 0.000 2.030) 3.683 3.594 ( -2.214 0.000 -0.409) 2.252 3.685 ( -0.119 0.000 1.166) 1.172 3.730 ( -3.359 0.000 -0.401) 3.382 3.844 ( -3.752 0.000 1.058) 3.899 3.913 ( 1.694 -0.000 -1.275) 2.120 3.956 ( -1.658 0.000 5.832) 6.063 4.071 ( -3.396 0.000 -0.744) 3.477 4.219 ( 3.194 -0.000 -0.025) 3.194 4.258 ( 1.934 -0.000 -1.159) 2.255 4.343 ( 0.307 -0.000 5.475) 5.483 4.432 ( 4.003 -0.000 0.064) 4.004 4.677 ( -2.108 0.000 4.292) 4.782 4.749 ( -3.282 0.000 -1.237) 3.507 ======================= Grid point 179 (63/129) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.258 ( -0.919 0.221 0.439) 1.042 1.347 ( -2.880 1.692 0.836) 3.443 1.377 ( -1.268 0.183 -0.066) 1.283 1.407 ( 1.832 -0.278 4.772) 5.120 1.510 ( 0.800 2.453 1.494) 2.981 1.546 ( 2.094 -0.588 3.251) 3.911 1.600 ( -4.265 -0.073 -3.157) 5.307 1.622 ( 5.940 0.270 -2.201) 6.341 1.828 ( -0.150 0.855 17.163) 17.185 1.896 ( 2.116 -1.449 2.975) 3.927 2.049 ( 3.537 0.979 1.332) 3.904 2.095 ( 9.205 0.781 0.264) 9.242 2.139 ( 2.439 -2.345 0.457) 3.414 2.257 ( -6.241 -1.203 -0.338) 6.365 2.352 ( -7.915 -0.267 -4.377) 9.049 2.690 ( -4.752 -0.296 -0.357) 4.774 2.753 ( -5.533 -0.117 0.364) 5.546 2.880 ( 2.721 0.024 -10.370) 10.721 3.041 ( 15.243 0.033 2.229) 15.405 3.108 ( 4.449 0.058 2.573) 5.140 3.243 ( 2.960 0.722 -2.511) 3.949 3.327 ( 6.216 -0.814 -11.844) 13.400 3.515 ( -1.445 0.060 2.175) 2.612 3.552 ( -1.256 -0.071 0.022) 1.258 3.675 ( -1.984 -0.330 0.381) 2.047 3.683 ( -0.341 -0.333 -0.024) 0.477 3.808 ( -0.305 -0.204 2.669) 2.694 3.932 ( -0.927 0.848 3.932) 4.128 3.947 ( 1.269 -0.482 -1.087) 1.739 4.027 ( -1.700 -0.012 -0.760) 1.862 4.264 ( 1.774 -0.139 0.196) 1.790 4.282 ( 0.587 0.065 -0.460) 0.748 4.347 ( 0.063 -0.001 6.713) 6.713 4.486 ( 1.889 0.108 -0.160) 1.899 4.634 ( -2.386 0.769 2.888) 3.824 4.667 ( -4.960 0.684 -0.983) 5.103 ======================= Grid point 180 (64/129) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.200 ( -3.970 2.230 0.803) 4.623 1.280 ( -3.234 -1.227 -1.078) 3.623 1.333 ( -2.515 1.331 3.193) 4.277 1.433 ( -0.291 2.278 1.616) 2.808 1.497 ( -2.158 0.317 -0.332) 2.206 1.504 ( -1.723 0.271 2.327) 2.908 1.588 ( 0.568 -2.400 -0.146) 2.470 1.703 ( 2.785 1.032 -2.690) 4.007 1.828 ( 0.223 -0.814 18.423) 18.442 1.906 ( -0.245 -2.091 3.666) 4.227 2.092 ( -4.885 -1.727 1.105) 5.298 2.137 ( 0.989 -0.261 -2.538) 2.736 2.215 ( 0.795 -1.564 0.444) 1.810 2.257 ( 2.854 2.684 -1.264) 4.116 2.294 ( 4.540 -0.130 -0.556) 4.575 2.648 ( 2.371 0.608 0.533) 2.505 2.693 ( 0.536 0.104 -0.807) 0.975 2.907 ( 0.270 0.010 -14.986) 14.988 3.131 ( -2.146 -0.355 1.176) 2.473 3.172 ( -3.072 0.799 -0.645) 3.239 3.298 ( 3.988 -0.061 -0.711) 4.052 3.397 ( 0.481 -0.433 -8.106) 8.132 3.502 ( 0.203 0.234 1.932) 1.957 3.546 ( 0.424 0.731 -0.680) 1.085 3.675 ( 1.312 -0.848 0.622) 1.681 3.689 ( 1.078 -0.246 0.238) 1.131 3.831 ( 2.492 0.056 3.506) 4.301 3.897 ( -2.183 0.730 3.904) 4.532 3.965 ( -0.500 -0.391 -0.555) 0.843 4.005 ( 0.004 -0.102 -1.983) 1.986 4.282 ( -0.446 0.032 -0.025) 0.448 4.291 ( 0.955 -0.033 -0.320) 1.008 4.348 ( 0.021 -0.162 7.846) 7.847 4.499 ( -0.868 -0.230 0.543) 1.049 4.564 ( -4.490 0.596 -0.698) 4.583 4.598 ( -1.381 -0.161 0.559) 1.498 ======================= Grid point 181 (65/129) ======================= q-point: (-0.58 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.123 ( -2.374 -0.495 2.648) 3.591 1.240 ( -3.614 -4.889 -1.242) 6.205 1.293 ( -1.708 -0.988 3.101) 3.676 1.376 ( -4.949 0.730 -1.157) 5.134 1.418 ( -3.672 -1.066 1.420) 4.079 1.503 ( -1.311 -1.841 -2.496) 3.367 1.630 ( 0.169 0.256 1.053) 1.096 1.688 ( -1.785 0.193 1.417) 2.288 1.829 ( -0.794 -0.958 16.066) 16.114 1.918 ( 1.781 3.731 2.870) 5.033 2.033 ( -6.189 -1.797 -1.010) 6.524 2.041 ( -5.135 3.202 2.169) 6.428 2.219 ( 2.463 -1.106 -2.871) 3.941 2.366 ( 7.383 -1.168 0.803) 7.518 2.420 ( 8.450 2.235 -0.529) 8.757 2.754 ( 7.088 1.618 -0.705) 7.304 2.768 ( 6.671 0.355 -0.677) 6.715 2.889 ( -2.523 0.464 -13.627) 13.866 3.006 ( -12.690 -0.912 -0.032) 12.722 3.038 ( -8.278 -2.002 -1.239) 8.607 3.296 ( -3.999 2.969 -2.671) 5.652 3.363 ( -3.666 -0.549 -6.533) 7.511 3.526 ( 2.684 0.526 1.686) 3.213 3.575 ( 3.595 0.918 -0.342) 3.726 3.709 ( 1.691 0.112 0.448) 1.753 3.713 ( 1.085 0.207 0.607) 1.260 3.841 ( -2.388 0.768 2.281) 3.390 3.886 ( 1.897 0.312 3.198) 3.731 3.937 ( -1.390 -1.158 0.728) 1.951 4.035 ( 2.713 0.249 -1.508) 3.114 4.265 ( -1.430 -0.117 0.252) 1.457 4.295 ( -0.620 0.450 -0.767) 1.084 4.347 ( -0.392 -0.033 7.750) 7.760 4.453 ( -4.164 -1.095 0.394) 4.324 4.500 ( -2.892 -2.942 -0.478) 4.153 4.604 ( 1.400 -0.787 -0.080) 1.608 ======================= Grid point 182 (66/129) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.124 ( -0.845 -5.632 0.871) 5.761 1.165 ( -8.870 -6.685 1.097) 11.161 1.254 ( -4.268 -1.105 4.459) 6.271 1.292 ( -2.871 -2.768 -1.416) 4.232 1.366 ( -3.210 -2.852 3.449) 5.508 1.476 ( -2.455 -0.852 -2.737) 3.774 1.520 ( -6.936 2.576 0.904) 7.454 1.667 ( -5.680 -1.218 -3.957) 7.029 1.817 ( -1.183 1.090 14.381) 14.471 1.876 ( -3.669 2.840 3.606) 5.877 1.895 ( -1.964 1.891 -1.068) 2.928 2.055 ( 6.080 3.598 6.028) 9.287 2.310 ( 4.107 0.583 -4.233) 5.927 2.492 ( 3.230 -1.127 0.698) 3.491 2.530 ( 4.341 3.546 -1.049) 5.702 2.710 ( -15.292 -0.415 1.121) 15.338 2.775 ( -9.993 0.362 -6.132) 11.730 2.847 ( 2.498 0.053 0.225) 2.509 2.894 ( 2.398 1.589 -2.188) 3.614 2.933 ( -0.989 -2.772 -2.760) 4.034 3.178 ( -4.549 3.209 -7.164) 9.073 3.279 ( -4.771 0.591 -7.150) 8.616 3.590 ( 4.172 0.974 1.644) 4.589 3.641 ( 2.288 1.364 -0.515) 2.713 3.722 ( 0.328 0.940 1.257) 1.603 3.734 ( 1.350 0.448 0.056) 1.424 3.808 ( -0.352 -1.289 1.430) 1.957 3.882 ( -1.402 -1.061 -1.108) 2.078 3.976 ( 4.930 1.178 5.279) 7.319 4.100 ( 4.781 1.300 -1.003) 5.055 4.225 ( -3.051 0.052 0.224) 3.060 4.260 ( -2.796 0.555 -1.046) 3.036 4.331 ( -1.301 -0.542 5.039) 5.232 4.366 ( -5.972 -2.677 0.421) 6.558 4.483 ( -2.029 -6.748 2.355) 7.429 4.652 ( 3.107 -1.507 -0.314) 3.467 ======================= Grid point 183 (67/129) ======================= q-point: (-0.42 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.974 ( -13.182 -2.256 3.883) 13.925 1.113 ( -4.507 -3.762 -0.473) 5.890 1.138 ( -7.159 0.543 6.467) 9.663 1.257 ( -5.652 -3.656 2.594) 7.214 1.326 ( -1.799 -1.271 -2.066) 3.020 1.381 ( -9.418 -2.229 -3.342) 10.239 1.453 ( 0.344 -1.109 -0.061) 1.163 1.546 ( -3.746 -0.980 -1.576) 4.180 1.771 ( -1.821 1.701 4.195) 4.880 1.825 ( -1.625 1.377 15.735) 15.879 1.898 ( -0.583 1.680 -2.915) 3.415 2.122 ( -0.053 -0.528 2.919) 2.967 2.285 ( -7.214 0.968 -2.993) 7.870 2.397 ( -7.659 -0.078 4.705) 8.989 2.476 ( -9.181 0.936 1.737) 9.391 2.540 ( -3.292 4.750 -2.493) 6.294 2.651 ( -1.561 0.584 -6.313) 6.529 2.848 ( -1.300 -0.207 -0.333) 1.358 2.871 ( -1.105 0.305 0.394) 1.212 2.986 ( 1.927 0.820 -0.631) 2.187 3.142 ( 1.806 1.183 -11.508) 11.708 3.204 ( -2.311 0.833 -8.439) 8.789 3.606 ( -4.571 1.260 0.548) 4.773 3.642 ( 0.769 1.343 -0.205) 1.561 3.718 ( 0.047 0.991 1.130) 1.504 3.757 ( 1.301 -0.803 -0.186) 1.540 3.846 ( 2.058 -1.806 1.590) 3.167 3.867 ( -0.834 -1.371 0.631) 1.725 4.081 ( 3.829 2.127 2.442) 5.015 4.143 ( -4.297 0.854 -0.520) 4.412 4.166 ( -0.756 -0.244 0.388) 0.884 4.206 ( -0.208 -0.707 -1.260) 1.459 4.299 ( -1.112 -2.146 2.263) 3.311 4.325 ( 1.685 -1.443 1.365) 2.605 4.503 ( -0.021 -7.906 6.945) 10.524 4.739 ( 5.389 -1.212 -1.122) 5.636 ======================= Grid point 184 (68/129) ======================= q-point: (-0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.728 ( -11.212 4.371 5.811) 13.364 0.936 ( -10.655 5.613 9.017) 15.045 1.059 ( -4.153 -0.744 -3.188) 5.288 1.178 ( -4.166 -0.967 -0.242) 4.284 1.226 ( -5.760 -4.298 -0.946) 7.249 1.284 ( -4.619 -1.100 -3.396) 5.837 1.473 ( -0.859 -1.486 1.194) 2.090 1.509 ( -1.978 0.568 0.352) 2.088 1.666 ( -12.147 0.642 5.281) 13.260 1.771 ( -8.045 -1.389 8.075) 11.483 1.804 ( -0.227 0.779 9.642) 9.676 2.105 ( -7.031 -2.570 -1.447) 7.624 2.141 ( 1.410 -0.033 -4.433) 4.652 2.264 ( -8.583 0.632 3.061) 9.135 2.401 ( 2.463 2.074 4.261) 5.340 2.441 ( -4.351 0.509 -1.899) 4.775 2.608 ( -3.270 0.284 -4.189) 5.322 2.825 ( -3.174 -0.282 2.409) 3.994 2.851 ( 1.296 2.066 -6.292) 6.748 2.983 ( -1.541 0.103 -2.035) 2.554 3.187 ( 0.533 0.336 -9.243) 9.265 3.200 ( 4.055 0.750 -9.231) 10.110 3.456 ( -10.491 0.949 0.566) 10.549 3.585 ( -6.865 -0.140 -4.688) 8.314 3.716 ( -0.076 0.235 1.693) 1.711 3.793 ( 1.797 -1.227 0.093) 2.178 3.864 ( -0.565 -1.641 4.522) 4.844 3.887 ( 1.540 -1.759 1.671) 2.874 4.016 ( -5.453 -0.656 -0.237) 5.497 4.062 ( -3.435 -1.107 -2.000) 4.126 4.134 ( -3.266 -1.097 1.489) 3.753 4.201 ( -3.849 -2.728 -1.735) 5.026 4.376 ( 6.192 -0.745 4.908) 7.936 4.427 ( 7.355 1.650 1.282) 7.646 4.587 ( 5.054 -5.487 9.648) 12.196 4.867 ( 8.047 0.548 -2.609) 8.477 ======================= Grid point 185 (69/129) ======================= q-point: (-0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.567 ( 0.356 12.749 6.911) 14.506 0.712 ( -7.747 8.028 10.367) 15.230 0.976 ( -3.695 3.107 -3.884) 6.196 1.075 ( -7.877 0.576 -2.312) 8.229 1.155 ( -10.132 5.463 4.017) 12.191 1.236 ( 2.232 -2.399 -0.082) 3.277 1.321 ( -5.343 3.210 3.098) 6.960 1.490 ( -2.919 -1.969 -0.346) 3.538 1.506 ( -4.612 -4.655 3.387) 7.376 1.636 ( -6.848 -4.185 3.605) 8.798 1.836 ( 2.228 -1.903 10.400) 10.805 1.987 ( -3.867 0.129 2.367) 4.536 2.146 ( -4.956 -2.210 4.159) 6.837 2.232 ( 5.228 -1.046 -5.523) 7.677 2.363 ( -2.609 -0.443 -2.705) 3.784 2.464 ( 2.637 0.020 2.841) 3.876 2.556 ( -0.880 0.647 -4.627) 4.754 2.763 ( -3.184 -0.794 3.222) 4.599 2.872 ( 2.421 2.111 -9.689) 10.207 2.951 ( -1.896 -1.601 -5.241) 5.799 3.192 ( -1.915 0.017 -6.418) 6.698 3.231 ( -6.730 -0.115 -2.727) 7.263 3.280 ( 0.638 0.048 -5.227) 5.266 3.382 ( -15.329 -3.243 -6.502) 16.963 3.712 ( -0.063 0.610 2.137) 2.224 3.828 ( 0.852 -0.845 -0.347) 1.249 3.864 ( -0.013 -0.485 5.054) 5.077 3.925 ( 1.130 -2.598 1.961) 3.445 3.951 ( -0.948 -0.215 0.761) 1.235 4.035 ( -0.700 -0.790 -1.308) 1.680 4.079 ( -2.963 -1.611 0.819) 3.471 4.117 ( -6.118 -2.242 -1.177) 6.622 4.463 ( 2.194 -3.819 9.276) 10.268 4.540 ( 5.289 3.030 1.494) 6.276 4.717 ( 5.086 -3.040 9.163) 10.912 5.017 ( 8.096 2.157 -4.726) 9.619 ======================= Grid point 186 (70/129) ======================= q-point: (-0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.524 ( -0.000 13.190 7.750) 15.298 0.619 ( -0.000 14.670 10.034) 17.773 0.823 ( -0.000 10.444 5.665) 11.881 0.945 ( -0.000 7.102 6.108) 9.367 1.022 ( 0.000 -2.609 -4.169) 4.918 1.279 ( -0.000 1.497 -0.801) 1.698 1.336 ( -0.000 0.007 -2.065) 2.065 1.427 ( 0.000 -6.057 -1.078) 6.153 1.491 ( 0.000 -5.163 4.429) 6.803 1.607 ( 0.000 -5.231 2.681) 5.878 1.851 ( -0.000 2.330 7.296) 7.659 2.004 ( 0.000 -7.209 6.105) 9.447 2.085 ( -0.000 0.109 4.214) 4.216 2.303 ( -0.000 0.690 -1.037) 1.246 2.334 ( 0.000 -1.596 -5.542) 5.768 2.490 ( -0.000 0.991 0.849) 1.305 2.570 ( -0.000 0.907 -9.995) 10.036 2.737 ( 0.000 -1.532 4.368) 4.629 2.915 ( 0.000 -1.780 -2.968) 3.461 2.927 ( -0.000 1.261 -18.026) 18.070 3.101 ( 0.000 -0.748 1.664) 1.824 3.151 ( 0.000 -1.141 -0.419) 1.215 3.230 ( 0.000 -1.256 -1.982) 2.346 3.302 ( -0.000 0.145 -7.816) 7.818 3.706 ( -0.000 1.142 2.022) 2.322 3.829 ( -0.000 0.865 -0.896) 1.245 3.868 ( -0.000 0.011 4.294) 4.294 3.951 ( 0.000 -1.559 0.127) 1.564 3.982 ( 0.000 -4.284 3.621) 5.609 4.025 ( -0.000 0.493 0.311) 0.583 4.035 ( -0.000 0.274 -0.070) 0.283 4.064 ( 0.000 -2.543 -0.338) 2.565 4.513 ( 0.000 -6.378 10.508) 12.292 4.572 ( -0.000 3.426 1.716) 3.832 4.783 ( 0.000 -3.006 8.877) 9.372 5.097 ( -0.000 1.788 -6.562) 6.801 ======================= Grid point 191 (71/129) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.212 ( -3.044 0.000 -0.137) 3.047 1.274 ( -4.913 0.000 -0.976) 5.009 1.343 ( -2.581 0.000 2.402) 3.526 1.454 ( 1.250 -0.000 4.536) 4.705 1.497 ( -4.782 0.000 0.631) 4.823 1.502 ( -4.090 0.000 -0.632) 4.139 1.572 ( 2.286 -0.000 0.536) 2.348 1.709 ( 2.664 -0.000 -3.301) 4.242 1.821 ( -0.526 0.000 19.694) 19.701 1.897 ( 2.432 -0.000 3.033) 3.888 2.079 ( -5.782 0.000 0.052) 5.783 2.138 ( 2.631 -0.000 -1.968) 3.286 2.204 ( -0.491 0.000 0.312) 0.581 2.277 ( 1.341 -0.000 -1.890) 2.317 2.290 ( 6.347 -0.000 0.712) 6.387 2.651 ( 2.752 -0.000 0.260) 2.764 2.693 ( 0.660 -0.000 -0.739) 0.991 2.907 ( 0.312 -0.000 -14.808) 14.811 3.129 ( -2.432 0.000 1.255) 2.737 3.176 ( -3.723 0.000 -0.854) 3.819 3.298 ( 4.812 -0.000 -0.697) 4.863 3.394 ( 0.505 -0.000 -8.190) 8.205 3.504 ( 0.224 -0.000 2.011) 2.023 3.551 ( 0.484 -0.000 -0.659) 0.818 3.669 ( 1.485 -0.000 0.667) 1.628 3.687 ( 1.228 -0.000 0.142) 1.236 3.831 ( 2.825 -0.000 3.701) 4.656 3.902 ( -2.392 0.000 4.028) 4.685 3.962 ( -0.576 0.000 -0.768) 0.960 4.004 ( -0.021 0.000 -2.028) 2.028 4.282 ( -0.543 0.000 -0.036) 0.545 4.291 ( 1.135 -0.000 -0.297) 1.173 4.347 ( -0.008 0.000 7.716) 7.716 4.498 ( -1.016 0.000 0.449) 1.110 4.568 ( -5.429 0.000 -0.864) 5.498 4.597 ( -1.302 0.000 0.906) 1.586 ======================= Grid point 192 (72/129) ======================= q-point: (-0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.136 ( -4.440 2.652 1.377) 5.352 1.184 ( -5.517 -4.620 -0.345) 7.205 1.292 ( -2.242 0.200 3.933) 4.532 1.382 ( -6.207 0.320 -0.943) 6.287 1.404 ( -4.277 -1.057 1.283) 4.589 1.489 ( -0.467 -0.624 -2.102) 2.242 1.633 ( 2.649 0.236 0.209) 2.668 1.687 ( -4.245 -0.258 -0.950) 4.358 1.822 ( 0.366 -0.333 18.115) 18.121 1.957 ( 1.671 2.622 0.738) 3.196 2.011 ( -3.570 -1.746 0.064) 3.974 2.079 ( -4.291 2.658 2.446) 5.609 2.201 ( 2.767 -1.547 -0.637) 3.233 2.353 ( 6.604 -0.689 0.349) 6.649 2.437 ( 8.858 0.722 -1.450) 9.005 2.765 ( 5.467 0.385 -0.818) 5.541 2.773 ( 8.080 0.357 -1.009) 8.150 2.894 ( -2.016 0.225 -14.124) 14.269 2.998 ( -13.633 -0.335 -0.217) 13.639 3.022 ( -8.657 -0.753 -1.325) 8.790 3.327 ( -2.835 2.375 -3.147) 4.856 3.351 ( -3.810 -1.468 -5.877) 7.156 3.530 ( 2.821 0.227 1.738) 3.321 3.584 ( 3.614 0.425 -0.429) 3.665 3.709 ( 2.126 -0.089 0.539) 2.195 3.714 ( 1.188 0.009 0.727) 1.393 3.846 ( -3.265 0.172 2.593) 4.173 3.896 ( 3.207 1.114 3.700) 5.022 3.922 ( -2.195 -1.215 0.003) 2.509 4.037 ( 3.029 0.098 -1.605) 3.430 4.264 ( -1.386 -0.024 0.313) 1.421 4.298 ( -0.524 0.162 -0.847) 1.009 4.346 ( -0.259 -0.031 7.839) 7.843 4.444 ( -4.646 -0.458 0.286) 4.677 4.477 ( -4.501 -1.094 -0.602) 4.671 4.598 ( 1.165 -0.248 -0.150) 1.201 ======================= Grid point 193 (73/129) ======================= q-point: (-0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.070 ( -2.593 -3.485 2.061) 4.808 1.100 ( -6.538 -4.394 0.905) 7.929 1.252 ( -2.594 0.435 3.809) 4.629 1.267 ( -5.529 -1.456 -0.818) 5.776 1.335 ( -4.133 -2.485 3.712) 6.085 1.465 ( -2.431 -0.806 -4.287) 4.993 1.555 ( -6.347 3.244 0.601) 7.154 1.646 ( -5.967 -2.403 -3.189) 7.179 1.828 ( 0.185 0.826 16.367) 16.388 1.902 ( -4.661 1.667 0.283) 4.958 1.911 ( -1.627 0.832 -0.502) 1.895 2.103 ( 5.423 4.076 5.717) 8.871 2.313 ( 4.975 0.004 -3.203) 5.917 2.478 ( 3.792 -1.195 1.285) 4.178 2.562 ( 3.439 1.968 -0.976) 4.081 2.700 ( -14.361 -1.122 0.267) 14.408 2.778 ( -10.037 0.110 -6.075) 11.732 2.850 ( 1.995 0.511 -0.043) 2.060 2.899 ( -3.660 -1.634 -5.976) 7.195 2.913 ( 5.854 0.431 -1.876) 6.163 3.214 ( -5.109 2.941 -8.011) 9.946 3.280 ( -4.631 -0.406 -5.004) 6.830 3.599 ( 4.324 0.600 1.605) 4.651 3.654 ( 2.208 0.837 -0.399) 2.395 3.730 ( 1.076 0.455 1.659) 2.029 3.738 ( 1.102 0.316 0.267) 1.177 3.796 ( -1.360 -0.714 1.039) 1.855 3.871 ( -1.742 -0.710 -1.196) 2.229 3.989 ( 6.220 1.080 5.252) 8.212 4.114 ( 5.634 1.033 -0.953) 5.806 4.227 ( -2.676 0.332 0.372) 2.722 4.266 ( -2.811 0.491 -0.999) 3.024 4.323 ( -2.817 -0.846 3.843) 4.840 4.338 ( -7.111 -2.084 0.062) 7.411 4.419 ( -2.744 -4.119 3.656) 6.153 4.640 ( 3.101 -0.741 -0.596) 3.243 ======================= Grid point 194 (74/129) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.967 ( -8.051 1.031 3.325) 8.771 1.057 ( -2.492 -4.496 -1.175) 5.273 1.168 ( -5.186 3.013 6.181) 8.613 1.208 ( -4.489 -4.721 1.774) 6.752 1.297 ( -1.155 -3.617 2.792) 4.713 1.364 ( -11.142 -0.937 -5.076) 12.280 1.451 ( -1.114 0.769 0.507) 1.446 1.527 ( -4.309 -2.205 -1.029) 4.948 1.797 ( -2.870 2.809 5.040) 6.445 1.835 ( -1.525 0.496 13.364) 13.460 1.919 ( -2.117 1.789 -3.179) 4.218 2.110 ( -3.801 -1.497 1.858) 4.488 2.286 ( -9.151 -0.544 -4.820) 10.357 2.408 ( -4.019 2.112 4.670) 6.513 2.482 ( -7.243 -0.106 3.008) 7.843 2.595 ( -3.769 4.641 -2.597) 6.518 2.658 ( -1.739 0.545 -5.656) 5.942 2.844 ( -0.652 -0.285 -0.577) 0.916 2.871 ( -1.354 -0.439 0.300) 1.454 2.986 ( 1.603 -0.470 -2.667) 3.147 3.158 ( 0.817 1.482 -12.161) 12.278 3.210 ( -2.314 0.194 -6.492) 6.894 3.619 ( -4.542 0.962 1.131) 4.778 3.655 ( 0.853 1.019 -0.057) 1.330 3.729 ( -0.739 0.833 0.631) 1.280 3.752 ( 1.065 -0.061 -0.101) 1.071 3.826 ( 2.123 -1.606 1.731) 3.175 3.854 ( -0.807 -0.863 -0.080) 1.184 4.109 ( 1.014 2.758 1.926) 3.514 4.155 ( -4.527 1.166 -0.060) 4.675 4.163 ( -2.078 -0.202 0.502) 2.148 4.198 ( -1.133 -0.765 -0.784) 1.576 4.270 ( -0.405 -3.263 1.419) 3.581 4.302 ( 3.937 -2.550 0.451) 4.712 4.431 ( 1.439 -4.463 9.323) 10.436 4.728 ( 6.023 -0.729 -1.560) 6.264 ======================= Grid point 195 (75/129) ======================= q-point: (-0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.807 ( -4.950 9.014 4.118) 11.077 1.002 ( -9.613 5.730 8.457) 14.027 1.046 ( -0.998 -1.366 -0.318) 1.721 1.151 ( -2.491 -3.461 0.664) 4.316 1.184 ( -7.015 -2.800 -2.276) 7.888 1.283 ( -3.759 0.403 -2.072) 4.311 1.452 ( -0.417 -1.825 1.039) 2.141 1.500 ( -1.528 -1.839 0.380) 2.421 1.657 ( -13.358 -2.694 4.659) 14.402 1.756 ( -8.616 -0.824 2.740) 9.079 1.816 ( -0.872 1.237 14.467) 14.546 2.071 ( -8.044 -3.080 -2.572) 8.989 2.140 ( 1.669 -0.488 -5.759) 6.016 2.280 ( -9.382 2.319 4.082) 10.490 2.426 ( 2.032 2.248 5.367) 6.163 2.463 ( -6.384 3.203 -3.248) 7.846 2.608 ( -3.942 -0.469 -4.460) 5.971 2.820 ( -3.423 -0.680 2.650) 4.382 2.867 ( 1.776 0.843 -5.122) 5.486 2.978 ( -2.553 -0.847 -3.132) 4.129 3.190 ( 1.194 0.315 -12.631) 12.691 3.209 ( 3.059 0.741 -6.101) 6.865 3.467 ( -11.019 0.857 0.702) 11.074 3.582 ( -9.110 -0.358 -4.166) 10.024 3.718 ( -0.208 0.116 1.499) 1.518 3.782 ( 1.690 -0.771 0.361) 1.893 3.847 ( -0.026 -1.302 4.169) 4.367 3.867 ( 1.039 -1.679 2.018) 2.823 4.010 ( -5.116 -0.357 -0.644) 5.169 4.046 ( -4.126 -1.633 -1.746) 4.768 4.129 ( -3.315 -0.007 0.788) 3.408 4.169 ( -4.051 -2.729 -1.300) 5.054 4.370 ( 5.188 -0.218 6.661) 8.446 4.433 ( 7.836 -0.631 2.904) 8.380 4.543 ( 8.194 -2.056 8.588) 12.047 4.872 ( 9.136 0.411 -3.258) 9.709 ======================= Grid point 196 (76/129) ======================= q-point: (-0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.723 ( 2.531 13.603 4.010) 14.406 0.800 ( -5.149 7.680 9.706) 13.405 1.017 ( -1.930 3.915 -0.976) 4.473 1.069 ( -9.829 -1.034 1.291) 9.968 1.168 ( 1.000 -1.162 -0.486) 1.608 1.211 ( 1.157 -2.553 -0.726) 2.895 1.390 ( -8.721 6.511 3.153) 11.331 1.456 ( -5.536 -4.039 3.178) 7.554 1.470 ( -3.285 -1.368 0.476) 3.591 1.588 ( -8.401 -3.840 -0.207) 9.239 1.817 ( 0.878 -1.055 13.726) 13.794 1.980 ( -3.680 -1.741 4.252) 5.887 2.129 ( -4.665 -0.672 4.424) 6.464 2.221 ( 4.446 -1.033 -6.803) 8.192 2.355 ( -3.850 -0.274 -3.540) 5.238 2.468 ( 2.563 0.436 2.930) 3.917 2.548 ( -1.939 -2.101 -5.360) 6.074 2.753 ( -3.807 -1.123 3.343) 5.189 2.896 ( 1.581 1.977 -7.541) 7.955 2.928 ( -2.262 -2.249 -5.629) 6.470 3.197 ( -2.518 0.775 -8.181) 8.595 3.231 ( -6.414 0.178 -2.912) 7.047 3.280 ( 0.100 -0.015 -5.021) 5.022 3.344 ( -15.515 -3.267 -3.876) 16.322 3.718 ( 0.265 0.441 2.076) 2.139 3.816 ( 1.132 -1.321 1.450) 2.265 3.857 ( 0.197 -0.712 4.914) 4.970 3.896 ( 0.862 -2.374 2.028) 3.239 3.956 ( -0.563 0.931 -0.880) 1.399 4.018 ( -0.538 -1.939 -1.518) 2.521 4.069 ( -2.897 -0.223 0.516) 2.951 4.096 ( -4.750 -1.494 -0.889) 5.059 4.432 ( 1.690 -1.750 11.037) 11.302 4.564 ( 5.276 0.952 2.353) 5.855 4.696 ( 6.135 -0.682 8.328) 10.366 5.038 ( 8.123 1.513 -5.238) 9.783 ======================= Grid point 197 (77/129) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.656 ( -0.000 10.150 10.754) 14.788 0.785 ( -0.000 14.045 6.244) 15.370 0.920 ( -0.000 6.535 -5.894) 8.800 0.984 ( 0.000 -3.588 -0.296) 3.600 1.062 ( -0.000 12.517 10.375) 16.258 1.300 ( -0.000 1.677 -1.297) 2.120 1.340 ( -0.000 1.028 -3.091) 3.257 1.358 ( 0.000 -5.449 1.505) 5.653 1.429 ( 0.000 -5.750 5.280) 7.807 1.549 ( 0.000 -4.954 -1.534) 5.186 1.846 ( 0.000 -2.872 12.778) 13.097 1.954 ( 0.000 -1.779 6.339) 6.584 2.084 ( 0.000 -0.302 3.832) 3.844 2.295 ( 0.000 -1.406 -4.366) 4.586 2.314 ( 0.000 -1.919 -5.098) 5.447 2.495 ( 0.000 -0.338 1.282) 1.326 2.566 ( 0.000 -2.008 -9.704) 9.910 2.718 ( 0.000 -1.771 4.166) 4.526 2.892 ( 0.000 -2.318 -2.845) 3.670 2.945 ( -0.000 1.692 -16.241) 16.328 3.091 ( 0.000 -0.835 1.489) 1.707 3.137 ( 0.000 -1.278 -0.349) 1.325 3.226 ( -0.000 0.626 -2.708) 2.779 3.300 ( 0.000 -0.386 -8.405) 8.414 3.717 ( -0.000 0.839 2.071) 2.235 3.832 ( 0.000 -0.532 0.871) 1.021 3.864 ( 0.000 -0.877 4.875) 4.953 3.922 ( 0.000 -2.811 2.198) 3.568 3.960 ( 0.000 -0.032 -0.575) 0.576 4.031 ( -0.000 0.600 0.248) 0.649 4.034 ( 0.000 -2.634 -0.747) 2.738 4.039 ( -0.000 0.295 -0.028) 0.297 4.461 ( 0.000 -2.978 12.366) 12.719 4.606 ( -0.000 2.119 1.729) 2.735 4.759 ( 0.000 -1.159 8.881) 8.956 5.115 ( -0.000 1.428 -6.525) 6.680 ======================= Grid point 204 (78/129) ======================= q-point: (-0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.050 ( -5.004 0.000 2.706) 5.689 1.074 ( -3.806 0.000 0.655) 3.862 1.254 ( -3.973 0.000 1.610) 4.286 1.262 ( -4.351 0.000 1.384) 4.566 1.318 ( -4.728 0.000 3.655) 5.976 1.460 ( -2.560 0.000 -4.476) 5.156 1.580 ( -5.804 0.000 -0.271) 5.810 1.625 ( -6.214 0.000 -2.170) 6.582 1.833 ( 0.603 -0.000 16.453) 16.464 1.913 ( -1.778 0.000 -0.618) 1.882 1.914 ( -4.526 0.000 -0.219) 4.531 2.129 ( 4.522 -0.000 5.526) 7.141 2.312 ( 5.658 -0.000 -2.487) 6.180 2.470 ( 4.397 -0.000 1.344) 4.598 2.573 ( 2.881 -0.000 -0.764) 2.981 2.692 ( -14.030 0.000 -0.290) 14.033 2.778 ( -9.991 0.000 -6.091) 11.701 2.855 ( 2.076 -0.000 0.594) 2.159 2.886 ( -2.620 0.000 -7.625) 8.062 2.918 ( 4.632 -0.000 -1.925) 5.016 3.234 ( -5.433 0.000 -9.860) 11.258 3.275 ( -4.442 0.000 -2.790) 5.246 3.603 ( 4.374 -0.000 1.595) 4.655 3.659 ( 2.092 -0.000 -0.322) 2.117 3.732 ( 1.564 -0.000 1.896) 2.458 3.740 ( 1.073 -0.000 0.375) 1.137 3.792 ( -1.798 0.000 0.758) 1.951 3.867 ( -1.931 0.000 -1.242) 2.296 3.996 ( 6.839 -0.000 5.257) 8.626 4.121 ( 6.103 -0.000 -0.911) 6.170 4.230 ( -2.274 0.000 0.444) 2.317 4.270 ( -2.561 0.000 -0.884) 2.709 4.317 ( -4.356 0.000 2.743) 5.148 4.325 ( -7.895 0.000 -0.191) 7.898 4.396 ( -2.496 0.000 4.759) 5.374 4.636 ( 3.094 -0.000 -0.694) 3.171 ======================= Grid point 206 (79/129) ======================= q-point: (-0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.988 ( -2.254 1.617 1.405) 3.110 1.024 ( -1.894 -1.167 -0.646) 2.317 1.148 ( -5.523 -3.590 0.319) 6.595 1.212 ( -3.138 3.578 7.134) 8.576 1.254 ( -1.808 -3.769 5.505) 6.913 1.356 ( -11.245 -0.387 -5.099) 12.353 1.466 ( -3.864 1.616 0.487) 4.217 1.501 ( -3.745 -2.021 -0.540) 4.290 1.826 ( -1.840 1.643 10.422) 10.710 1.837 ( -2.577 0.029 6.176) 6.692 1.934 ( -3.168 0.712 -2.669) 4.203 2.093 ( -6.629 -1.103 1.028) 6.798 2.280 ( -10.447 -0.328 -5.400) 11.765 2.439 ( -3.186 3.060 4.114) 6.036 2.470 ( -4.493 -2.038 4.020) 6.364 2.637 ( -2.295 2.519 -3.002) 4.542 2.660 ( -2.688 -0.267 -4.691) 5.413 2.843 ( -0.602 0.112 -2.079) 2.167 2.863 ( -1.510 -0.678 1.039) 1.954 2.981 ( 1.258 -0.340 -3.353) 3.598 3.172 ( -0.447 0.732 -13.835) 13.862 3.210 ( -1.875 -0.110 -4.275) 4.669 3.626 ( -4.529 0.353 1.559) 4.802 3.663 ( 1.098 0.371 0.081) 1.161 3.736 ( -1.339 0.355 0.251) 1.408 3.753 ( 0.763 0.123 -0.156) 0.788 3.813 ( 2.216 -0.656 1.722) 2.882 3.848 ( -0.566 -0.290 -0.407) 0.755 4.142 ( -5.565 2.723 0.152) 6.197 4.158 ( -8.570 -0.436 -1.048) 8.644 4.172 ( 6.594 1.374 3.317) 7.509 4.189 ( -3.226 -0.699 0.191) 3.306 4.226 ( -1.691 -3.654 0.412) 4.048 4.280 ( 7.704 -1.028 0.476) 7.787 4.401 ( 2.518 -1.064 9.934) 10.303 4.722 ( 6.351 -0.238 -1.783) 6.601 ======================= Grid point 207 (80/129) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.917 ( -1.373 9.867 1.759) 10.116 1.022 ( 1.023 -1.384 -1.867) 2.539 1.062 ( -10.472 2.084 10.285) 14.825 1.110 ( -1.185 -2.627 -1.216) 3.128 1.167 ( -5.886 -0.102 -0.702) 5.929 1.279 ( -0.086 -1.444 2.652) 3.021 1.435 ( -1.037 -1.199 0.642) 1.710 1.476 ( -1.010 -1.993 -0.396) 2.269 1.619 ( -18.777 -3.183 5.091) 19.714 1.752 ( -7.276 -0.030 0.700) 7.310 1.828 ( -0.744 0.810 16.594) 16.631 2.043 ( -10.482 -1.727 -4.932) 11.712 2.129 ( 3.393 -1.287 -7.326) 8.175 2.310 ( -9.110 2.352 4.230) 10.316 2.449 ( 0.895 1.644 5.640) 5.942 2.509 ( -7.312 4.611 -2.908) 9.120 2.595 ( -5.442 -2.023 -3.809) 6.944 2.811 ( -3.804 -0.771 2.500) 4.617 2.870 ( 2.194 -0.178 -4.611) 5.109 2.968 ( -2.842 -0.778 -3.464) 4.548 3.193 ( 1.914 0.211 -14.269) 14.398 3.216 ( 2.389 0.465 -4.920) 5.489 3.475 ( -11.418 0.522 0.808) 11.458 3.578 ( -11.237 -0.314 -3.656) 11.821 3.719 ( -0.183 0.054 1.479) 1.491 3.775 ( 1.391 -0.447 0.690) 1.615 3.837 ( 0.425 -0.429 3.829) 3.876 3.851 ( 0.610 -1.153 2.205) 2.562 4.007 ( -4.445 -0.101 -1.549) 4.708 4.030 ( -4.365 -1.076 -1.658) 4.792 4.129 ( -3.492 -0.353 0.255) 3.519 4.145 ( -3.770 -1.145 -0.426) 3.963 4.372 ( 4.424 0.582 7.875) 9.051 4.416 ( 8.654 -1.946 5.230) 10.297 4.534 ( 10.085 0.002 6.258) 11.869 4.876 ( 9.799 0.237 -3.589) 10.438 ======================= Grid point 208 (81/129) ======================= q-point: (-0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.831 ( -5.431 4.564 10.068) 12.317 0.903 ( 2.724 10.561 -0.411) 10.914 1.043 ( -9.300 0.062 4.875) 10.500 1.081 ( 1.159 3.315 1.090) 3.678 1.164 ( 3.726 0.365 0.123) 3.746 1.175 ( -2.943 -2.420 -0.062) 3.810 1.401 ( -2.925 -3.605 3.184) 5.629 1.435 ( -5.703 -0.711 0.460) 5.766 1.454 ( -4.452 -2.423 -0.150) 5.071 1.571 ( -8.877 1.393 -1.717) 9.148 1.815 ( -0.084 0.594 15.271) 15.283 1.947 ( -2.617 -3.679 4.651) 6.482 2.135 ( -6.182 1.675 4.742) 7.969 2.209 ( 4.024 -0.987 -7.192) 8.300 2.364 ( -5.223 2.055 -4.093) 6.947 2.470 ( 1.151 -0.095 2.852) 3.077 2.512 ( -3.630 -4.157 -4.780) 7.302 2.739 ( -4.102 -1.235 3.289) 5.401 2.900 ( -3.967 -2.022 -3.595) 5.723 2.917 ( 2.808 1.201 -7.685) 8.270 3.204 ( -5.117 0.222 -9.897) 11.143 3.238 ( -4.005 0.999 -3.858) 5.650 3.279 ( -1.102 -0.238 -4.243) 4.390 3.313 ( -13.940 -1.953 -1.529) 14.159 3.723 ( 0.465 0.323 2.075) 2.151 3.802 ( 0.906 -1.031 2.487) 2.840 3.849 ( 0.188 -0.713 4.879) 4.935 3.873 ( 1.008 -1.542 1.267) 2.236 3.969 ( -0.118 1.223 -2.278) 2.588 3.997 ( -0.651 -1.676 -1.719) 2.488 4.069 ( -2.697 0.077 0.216) 2.707 4.082 ( -3.522 -0.922 -0.503) 3.676 4.420 ( 1.623 -0.486 11.926) 12.045 4.562 ( 5.205 -0.941 4.521) 6.958 4.699 ( 6.853 0.969 6.483) 9.483 5.051 ( 8.153 0.933 -5.371) 9.808 ======================= Grid point 209 (82/129) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.751 ( -0.000 6.399 14.282) 15.650 0.889 ( -0.000 0.758 4.203) 4.271 0.986 ( -0.000 5.868 -3.901) 7.047 0.986 ( -0.000 7.333 0.818) 7.379 1.169 ( -0.000 4.106 2.981) 5.074 1.305 ( 0.000 -0.684 -1.111) 1.305 1.318 ( 0.000 -2.615 1.655) 3.094 1.364 ( -0.000 2.845 -2.856) 4.031 1.372 ( 0.000 -2.413 5.276) 5.802 1.505 ( 0.000 -2.042 -1.733) 2.678 1.817 ( 0.000 -1.274 14.489) 14.544 1.938 ( 0.000 -1.884 8.822) 9.021 2.079 ( 0.000 -0.694 3.458) 3.527 2.286 ( -0.000 0.115 -6.776) 6.777 2.293 ( 0.000 -1.764 -4.790) 5.105 2.474 ( 0.000 -3.744 -1.586) 4.066 2.531 ( 0.000 -3.242 -4.761) 5.760 2.699 ( 0.000 -1.528 3.952) 4.237 2.865 ( 0.000 -2.250 -2.657) 3.482 2.963 ( -0.000 1.449 -13.983) 14.058 3.083 ( 0.000 -0.696 1.321) 1.493 3.123 ( 0.000 -1.069 -0.282) 1.106 3.242 ( -0.000 1.975 -4.711) 5.108 3.296 ( 0.000 -0.295 -7.893) 7.899 3.725 ( -0.000 0.557 2.172) 2.242 3.818 ( 0.000 -1.458 2.701) 3.069 3.853 ( 0.000 -0.798 5.456) 5.514 3.896 ( 0.000 -1.931 0.612) 2.025 3.968 ( -0.000 1.146 -2.487) 2.739 4.006 ( 0.000 -2.218 -1.303) 2.572 4.038 ( -0.000 0.541 0.171) 0.568 4.042 ( -0.000 0.241 0.020) 0.242 4.440 ( 0.000 -0.994 12.959) 12.997 4.615 ( 0.000 -0.381 3.523) 3.544 4.759 ( -0.000 0.991 7.561) 7.626 5.129 ( -0.000 1.058 -6.298) 6.386 ======================= Grid point 218 (83/129) ======================= q-point: (-0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.005 ( -2.483 0.000 3.909) 4.631 1.009 ( 3.039 -0.000 -1.878) 3.572 1.037 ( -3.746 0.000 -0.402) 3.768 1.108 ( -9.189 0.000 0.820) 9.226 1.175 ( -3.736 0.000 4.432) 5.797 1.262 ( 3.342 -0.000 5.668) 6.580 1.427 ( -1.452 0.000 0.076) 1.454 1.465 ( -0.823 0.000 -0.867) 1.196 1.599 ( -22.515 0.000 5.156) 23.097 1.752 ( -6.523 0.000 0.323) 6.531 1.833 ( -0.366 0.000 17.294) 17.298 2.033 ( -12.171 0.000 -6.111) 13.619 2.120 ( 4.576 -0.000 -7.863) 9.097 2.324 ( -8.642 0.000 3.969) 9.509 2.459 ( 0.380 -0.000 5.752) 5.764 2.555 ( -7.319 0.000 -2.208) 7.645 2.565 ( -6.593 0.000 -3.761) 7.590 2.806 ( -3.974 0.000 2.343) 4.614 2.868 ( 2.306 -0.000 -4.621) 5.164 2.963 ( -2.742 0.000 -3.389) 4.360 3.195 ( 2.167 -0.000 -14.750) 14.908 3.218 ( 2.214 -0.000 -4.649) 5.149 3.478 ( -11.558 0.000 0.848) 11.589 3.576 ( -12.132 0.000 -3.445) 12.612 3.719 ( -0.129 0.000 1.505) 1.510 3.773 ( 1.273 -0.000 0.871) 1.543 3.836 ( 0.584 -0.000 3.784) 3.828 3.843 ( 0.402 -0.000 2.122) 2.160 4.007 ( -4.061 0.000 -2.090) 4.567 4.023 ( -4.409 0.000 -1.663) 4.712 4.124 ( -3.283 0.000 0.388) 3.305 4.141 ( -3.914 0.000 -0.266) 3.923 4.379 ( 2.698 -0.000 8.826) 9.229 4.401 ( 10.578 -0.000 5.444) 11.896 4.535 ( 10.579 -0.000 5.491) 11.919 4.877 ( 10.019 -0.000 -3.687) 10.676 ======================= Grid point 220 (84/129) ======================= q-point: (-0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.854 ( -7.422 0.554 11.060) 13.331 1.005 ( 2.746 6.799 -2.883) 7.879 1.044 ( -10.774 0.033 7.255) 12.990 1.098 ( 4.908 0.107 -1.686) 5.191 1.118 ( 1.905 -4.412 -0.363) 4.820 1.239 ( -3.817 9.021 4.677) 10.854 1.342 ( -3.651 -7.355 3.625) 8.976 1.407 ( -2.377 -2.207 -0.373) 3.265 1.440 ( -2.642 -0.292 -1.294) 2.956 1.594 ( -7.351 1.410 -2.784) 7.986 1.826 ( -0.095 1.025 17.247) 17.278 1.908 ( -2.231 -2.498 2.951) 4.464 2.157 ( -7.789 1.514 4.730) 9.237 2.200 ( 4.007 -0.484 -7.316) 8.356 2.400 ( -6.307 4.103 -3.911) 8.480 2.453 ( -6.377 -4.549 -3.470) 8.567 2.473 ( 1.321 -0.685 2.098) 2.572 2.728 ( -4.102 -0.546 3.159) 5.206 2.882 ( -3.435 -0.924 -4.062) 5.400 2.927 ( 2.272 0.494 -6.031) 6.464 3.204 ( -6.328 -0.045 -10.264) 12.057 3.248 ( -4.244 0.646 -5.482) 6.963 3.273 ( -3.780 -0.582 -2.875) 4.785 3.302 ( -9.348 -0.213 -0.762) 9.381 3.726 ( 0.557 0.149 2.084) 2.162 3.794 ( 0.791 -0.362 2.699) 2.836 3.842 ( 0.187 -0.309 4.770) 4.784 3.861 ( 0.983 -0.568 1.036) 1.537 3.980 ( -0.422 0.303 -2.636) 2.687 3.984 ( -0.216 -0.362 -2.627) 2.661 4.069 ( -2.475 -0.090 0.165) 2.482 4.075 ( -2.956 -0.235 -0.108) 2.967 4.418 ( 1.604 -0.027 12.432) 12.535 4.552 ( 5.260 -0.616 5.821) 7.869 4.709 ( 7.157 0.555 5.448) 9.011 5.058 ( 8.172 0.317 -5.395) 9.797 ======================= Grid point 221 (85/129) ======================= q-point: (-0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.799 ( -0.000 2.345 17.323) 17.481 0.865 ( 0.000 -2.473 5.234) 5.789 1.055 ( -0.000 6.456 -0.212) 6.459 1.089 ( -0.000 8.050 -1.865) 8.263 1.173 ( 0.000 -1.284 -1.555) 2.017 1.258 ( 0.000 -6.570 1.507) 6.741 1.290 ( 0.000 -1.686 0.470) 1.750 1.374 ( 0.000 -0.165 0.963) 0.977 1.392 ( -0.000 1.878 -1.957) 2.712 1.519 ( -0.000 3.707 -1.174) 3.888 1.820 ( -0.000 1.287 16.281) 16.332 1.913 ( 0.000 -2.056 9.361) 9.584 2.071 ( 0.000 -0.605 3.156) 3.214 2.276 ( 0.000 -1.090 -4.682) 4.808 2.299 ( -0.000 2.028 -7.436) 7.707 2.413 ( 0.000 -6.132 -4.074) 7.362 2.504 ( 0.000 -1.665 -0.232) 1.681 2.685 ( 0.000 -0.876 3.795) 3.895 2.844 ( 0.000 -1.406 -2.473) 2.845 2.976 ( -0.000 0.840 -12.345) 12.374 3.076 ( 0.000 -0.390 1.202) 1.264 3.114 ( 0.000 -0.602 -0.237) 0.647 3.262 ( -0.000 1.260 -7.829) 7.929 3.296 ( -0.000 0.283 -5.809) 5.816 3.730 ( -0.000 0.333 2.228) 2.253 3.805 ( 0.000 -0.825 3.346) 3.446 3.846 ( 0.000 -0.450 5.050) 5.070 3.877 ( 0.000 -1.245 0.350) 1.293 3.977 ( 0.000 -0.073 -2.595) 2.596 3.989 ( 0.000 -0.409 -2.802) 2.831 4.043 ( -0.000 0.321 0.109) 0.339 4.044 ( -0.000 0.133 0.058) 0.145 4.434 ( 0.000 -0.143 13.412) 13.413 4.605 ( 0.000 -0.984 5.511) 5.598 4.773 ( -0.000 1.181 6.117) 6.230 5.138 ( -0.000 0.568 -6.125) 6.151 ======================= Grid point 233 (86/129) ======================= q-point: ( 0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.811 ( -0.000 0.000 18.644) 18.644 0.850 ( -0.000 0.000 5.786) 5.786 1.109 ( 0.000 -0.000 4.774) 4.774 1.140 ( -0.000 0.000 -4.870) 4.870 1.159 ( -0.000 0.000 -5.199) 5.199 1.208 ( -0.000 0.000 0.146) 0.146 1.277 ( 0.000 -0.000 2.800) 2.800 1.369 ( -0.000 0.000 0.300) 0.300 1.403 ( -0.000 0.000 -1.566) 1.566 1.546 ( -0.000 0.000 -2.608) 2.608 1.829 ( -0.000 0.000 18.318) 18.318 1.901 ( -0.000 0.000 8.338) 8.338 2.067 ( -0.000 0.000 3.031) 3.031 2.270 ( -0.000 0.000 -4.674) 4.674 2.320 ( -0.000 0.000 -8.783) 8.783 2.365 ( 0.000 -0.000 -2.531) 2.531 2.494 ( -0.000 0.000 0.435) 0.435 2.680 ( -0.000 0.000 3.738) 3.738 2.836 ( -0.000 0.000 -2.395) 2.395 2.981 ( -0.000 0.000 -11.777) 11.777 3.074 ( -0.000 0.000 1.160) 1.160 3.110 ( 0.000 -0.000 -0.222) 0.222 3.269 ( -0.000 0.000 -9.504) 9.504 3.299 ( -0.000 0.000 -4.475) 4.475 3.732 ( -0.000 0.000 2.241) 2.241 3.800 ( -0.000 0.000 3.384) 3.384 3.844 ( -0.000 0.000 4.886) 4.886 3.870 ( 0.000 -0.000 0.381) 0.381 3.973 ( 0.000 -0.000 -1.891) 1.891 3.990 ( -0.000 0.000 -4.053) 4.053 4.045 ( 0.000 -0.029 0.078) 0.084 4.045 ( -0.000 0.029 0.080) 0.085 4.434 ( -0.000 0.000 13.615) 13.615 4.599 ( -0.000 0.000 6.195) 6.195 4.781 ( -0.000 0.000 5.658) 5.658 5.141 ( -0.000 0.000 -6.064) 6.064 ======================= Grid point 302 (87/129) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.572 ( 0.000 0.000 -12.889) 12.889 0.572 ( 0.000 0.000 12.889) 12.889 0.771 ( 0.000 0.000 -14.781) 14.781 0.771 ( 0.000 0.000 14.781) 14.781 1.220 ( 0.000 0.000 -17.197) 17.197 1.220 ( 0.000 0.000 17.197) 17.197 1.304 ( 0.000 0.000 -1.664) 1.664 1.304 ( 0.000 0.000 1.664) 1.664 1.659 ( 0.000 0.000 -4.149) 4.149 1.659 ( 0.000 0.000 4.149) 4.149 2.186 ( 0.000 0.000 -10.324) 10.324 2.186 ( 0.000 0.000 10.324) 10.324 2.210 ( 0.000 0.000 -6.488) 6.488 2.210 ( 0.000 0.000 6.488) 6.488 2.345 ( 0.000 0.000 -18.448) 18.448 2.345 ( 0.000 0.000 18.448) 18.448 2.488 ( 0.000 0.000 -1.650) 1.650 2.488 ( 0.000 0.000 1.650) 1.650 2.856 ( 0.000 0.000 -4.158) 4.158 2.856 ( 0.000 0.000 4.158) 4.158 3.146 ( 0.000 0.000 -1.275) 1.275 3.146 ( 0.000 0.000 1.275) 1.275 3.241 ( 0.000 0.000 -0.657) 0.657 3.241 ( 0.000 0.000 0.657) 0.657 3.750 ( 0.000 0.000 -3.126) 3.126 3.750 ( 0.000 0.000 3.126) 3.126 3.938 ( 0.000 0.000 -1.686) 1.686 3.938 ( 0.000 0.000 1.686) 1.686 4.027 ( 0.000 0.000 -0.327) 0.327 4.027 ( 0.000 0.000 0.327) 0.327 4.091 ( 0.000 0.000 -0.829) 0.829 4.091 ( 0.000 0.000 0.829) 0.829 4.594 ( 0.000 0.000 -3.467) 3.467 4.594 ( 0.000 0.000 3.467) 3.467 4.964 ( 0.000 0.000 -4.737) 4.737 4.964 ( 0.000 0.000 4.737) 4.737 ======================= Grid point 304 (88/129) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.645 ( 7.984 -1.027 -3.937) 8.960 0.645 ( 7.984 -1.027 3.937) 8.960 0.857 ( 7.362 -2.344 -5.948) 9.750 0.857 ( 7.362 -2.344 5.948) 9.750 1.270 ( 4.375 0.639 -6.566) 7.916 1.270 ( 4.375 0.639 6.566) 7.916 1.378 ( 6.294 -0.966 -7.157) 9.579 1.378 ( 6.294 -0.966 7.157) 9.579 1.691 ( 4.720 1.671 -5.410) 7.372 1.691 ( 4.720 1.671 5.410) 7.372 2.076 ( -6.427 0.430 -0.558) 6.465 2.076 ( -6.427 0.430 0.558) 6.465 2.271 ( 2.928 0.264 -1.463) 3.283 2.271 ( 2.928 0.264 1.463) 3.283 2.360 ( 0.712 -0.979 -22.571) 22.603 2.360 ( 0.712 -0.979 22.571) 22.603 2.512 ( 3.091 0.353 -1.145) 3.315 2.512 ( 3.091 0.353 1.145) 3.315 2.857 ( 0.312 0.208 -4.232) 4.249 2.857 ( 0.312 0.208 4.232) 4.249 3.169 ( -1.940 0.143 -1.782) 2.638 3.169 ( -1.940 0.143 1.782) 2.638 3.307 ( 9.300 0.240 -3.053) 9.791 3.307 ( 9.300 0.240 3.053) 9.791 3.768 ( 1.229 -0.105 -3.430) 3.645 3.768 ( 1.229 -0.105 3.430) 3.645 3.933 ( 0.297 0.107 -1.061) 1.107 3.933 ( 0.297 0.107 1.061) 1.107 4.020 ( -0.437 0.230 -1.120) 1.224 4.020 ( -0.437 0.230 1.120) 1.224 4.140 ( 4.650 0.987 -0.891) 4.836 4.140 ( 4.650 0.987 0.891) 4.836 4.534 ( -6.218 -0.584 -2.612) 6.770 4.534 ( -6.218 -0.584 2.612) 6.770 4.918 ( -4.154 0.496 -3.201) 5.268 4.918 ( -4.154 0.496 3.201) 5.268 ======================= Grid point 306 (89/129) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.864 ( 14.000 0.060 -5.551) 15.061 0.864 ( 14.000 0.060 5.551) 15.061 1.040 ( 10.599 -1.905 -3.003) 11.180 1.040 ( 10.599 -1.905 3.003) 11.180 1.337 ( 3.755 3.459 -0.772) 5.163 1.337 ( 3.755 3.459 0.772) 5.163 1.480 ( 2.873 -1.745 -2.747) 4.341 1.480 ( 2.873 -1.745 2.747) 4.341 1.808 ( 4.537 0.993 -3.493) 5.811 1.808 ( 4.537 0.993 3.493) 5.811 2.022 ( 4.017 -1.238 -2.795) 5.048 2.022 ( 4.017 -1.238 2.795) 5.048 2.316 ( 1.915 1.206 -3.737) 4.369 2.316 ( 1.915 1.206 3.737) 4.369 2.380 ( 1.316 -1.889 -17.376) 17.528 2.380 ( 1.316 -1.889 17.376) 17.528 2.582 ( 4.094 1.654 -3.852) 5.860 2.582 ( 4.094 1.654 3.852) 5.860 2.873 ( 1.368 -0.645 -3.329) 3.656 2.873 ( 1.368 -0.645 3.329) 3.656 3.101 ( -4.423 -0.788 -2.527) 5.154 3.101 ( -4.423 -0.788 2.527) 5.154 3.488 ( 8.349 -0.354 -3.358) 9.006 3.488 ( 8.349 -0.354 3.358) 9.006 3.774 ( -0.595 0.381 -2.988) 3.070 3.774 ( -0.595 0.381 2.988) 3.070 3.942 ( -0.432 0.853 -0.181) 0.973 3.942 ( -0.432 0.853 0.181) 0.973 4.035 ( 3.098 0.133 -1.000) 3.258 4.035 ( 3.098 0.133 1.000) 3.258 4.216 ( 2.967 1.678 -1.452) 3.705 4.216 ( 2.967 1.678 1.452) 3.705 4.399 ( -7.238 -1.495 -0.686) 7.423 4.399 ( -7.238 -1.495 0.686) 7.423 4.830 ( -4.042 1.810 -2.202) 4.946 4.830 ( -4.042 1.810 2.202) 4.946 ======================= Grid point 308 (90/129) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.111 ( 11.135 -0.075 -4.895) 12.164 1.111 ( 11.135 -0.075 4.895) 12.164 1.258 ( 11.637 2.138 -3.561) 12.357 1.258 ( 11.637 2.138 3.561) 12.357 1.393 ( 5.676 3.388 -2.133) 6.945 1.393 ( 5.676 3.388 2.133) 6.945 1.503 ( -0.520 -0.202 -1.054) 1.193 1.503 ( -0.520 -0.202 1.054) 1.193 1.799 ( -2.137 -0.907 -3.199) 3.953 1.799 ( -2.137 -0.907 3.199) 3.953 2.192 ( 5.882 -2.022 -5.557) 8.340 2.192 ( 5.882 -2.022 5.557) 8.340 2.313 ( -0.179 1.472 -16.837) 16.902 2.313 ( -0.179 1.472 16.837) 16.902 2.464 ( 5.799 -2.390 -1.835) 6.535 2.464 ( 5.799 -2.390 1.835) 6.535 2.636 ( 4.306 2.014 -11.411) 12.361 2.636 ( 4.306 2.014 11.411) 12.361 2.905 ( 0.787 -0.731 -2.229) 2.474 2.905 ( 0.787 -0.731 2.229) 2.474 3.052 ( -0.590 -2.022 -4.527) 4.993 3.052 ( -0.590 -2.022 4.527) 4.993 3.598 ( 2.773 -0.881 -1.131) 3.122 3.598 ( 2.773 -0.881 1.131) 3.122 3.750 ( -1.565 0.290 -1.939) 2.509 3.750 ( -1.565 0.290 1.939) 2.509 3.904 ( -2.299 1.245 -0.796) 2.733 3.904 ( -2.299 1.245 0.796) 2.733 4.095 ( 0.074 -0.729 -1.780) 1.925 4.095 ( 0.074 -0.729 1.780) 1.925 4.190 ( -1.242 0.237 -1.038) 1.636 4.190 ( -1.242 0.237 1.038) 1.636 4.367 ( 2.516 0.649 -0.379) 2.626 4.367 ( 2.516 0.649 0.379) 2.626 4.752 ( -2.826 3.324 -2.195) 4.884 4.752 ( -2.826 3.324 2.195) 4.884 ======================= Grid point 310 (91/129) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.249 ( 4.019 1.755 -3.389) 5.542 1.249 ( 4.019 1.755 3.389) 5.542 1.391 ( 5.599 5.943 -1.341) 8.274 1.391 ( 5.599 5.943 1.341) 8.274 1.444 ( -0.849 1.462 -2.431) 2.961 1.444 ( -0.849 1.462 2.431) 2.961 1.572 ( 7.291 -1.625 -4.960) 8.967 1.572 ( 7.291 -1.625 4.960) 8.967 1.813 ( 4.726 -0.909 -2.399) 5.377 1.813 ( 4.726 -0.909 2.399) 5.377 2.161 ( -5.701 0.033 -5.877) 8.188 2.161 ( -5.701 0.033 5.877) 8.188 2.343 ( 1.505 -1.176 -18.094) 18.195 2.343 ( 1.505 -1.176 18.094) 18.195 2.489 ( -4.265 -2.271 -4.790) 6.804 2.489 ( -4.265 -2.271 4.790) 6.804 2.816 ( 11.029 0.876 -4.509) 11.947 2.816 ( 11.029 0.876 4.509) 11.947 2.886 ( -0.554 0.435 -3.567) 3.636 2.886 ( -0.554 0.435 3.567) 3.636 3.116 ( 5.505 -2.032 -4.372) 7.318 3.116 ( 5.505 -2.032 4.372) 7.318 3.599 ( -2.645 -0.894 -0.777) 2.898 3.599 ( -2.645 -0.894 0.777) 2.898 3.719 ( -1.511 -0.415 -0.630) 1.689 3.719 ( -1.511 -0.415 0.630) 1.689 3.872 ( -0.157 0.643 -1.764) 1.884 3.872 ( -0.157 0.643 1.764) 1.884 4.041 ( -3.327 -0.426 -2.418) 4.135 4.041 ( -3.327 -0.426 2.418) 4.135 4.232 ( 2.988 -0.068 -0.819) 3.099 4.232 ( 2.988 -0.068 0.819) 3.099 4.419 ( 3.147 0.930 -0.967) 3.421 4.419 ( 3.147 0.930 0.967) 3.421 4.682 ( -2.705 3.956 -2.079) 5.224 4.682 ( -2.705 3.956 2.079) 5.224 ======================= Grid point 312 (92/129) ======================= q-point: ( 0.42 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.261 ( -0.472 2.548 -3.259) 4.163 1.261 ( -0.472 2.548 3.259) 4.163 1.413 ( 1.146 2.460 -2.413) 3.631 1.413 ( 1.146 2.460 2.413) 3.631 1.443 ( 1.472 3.596 -4.247) 5.756 1.443 ( 1.472 3.596 4.247) 5.756 1.650 ( -0.955 -4.016 -1.684) 4.458 1.650 ( -0.955 -4.016 1.684) 4.458 1.966 ( 9.054 1.304 -3.135) 9.670 1.966 ( 9.054 1.304 3.135) 9.670 2.098 ( 1.221 0.449 -4.710) 4.886 2.098 ( 1.221 0.449 4.710) 4.886 2.333 ( -5.559 -3.582 -4.823) 8.185 2.333 ( -5.559 -3.582 4.823) 8.185 2.420 ( -1.423 -0.591 -20.301) 20.359 2.420 ( -1.423 -0.591 20.301) 20.359 2.753 ( -6.953 0.339 -0.442) 6.975 2.753 ( -6.953 0.339 0.442) 6.975 3.066 ( 9.824 2.489 -1.812) 10.295 3.066 ( 9.824 2.489 1.812) 10.295 3.242 ( 5.582 -2.326 -2.694) 6.620 3.242 ( 5.582 -2.326 2.694) 6.620 3.546 ( -2.501 -0.241 -0.922) 2.677 3.546 ( -2.501 -0.241 0.922) 2.677 3.702 ( -0.782 -1.059 -0.189) 1.330 3.702 ( -0.782 -1.059 0.189) 1.330 3.883 ( 1.151 -0.055 -2.671) 2.909 3.883 ( 1.151 -0.055 2.671) 2.909 3.994 ( -1.892 0.291 -1.896) 2.694 3.994 ( -1.892 0.291 1.896) 2.694 4.272 ( 1.245 -0.118 -0.366) 1.303 4.272 ( 1.245 -0.118 0.366) 1.303 4.472 ( 2.815 -0.050 -2.104) 3.515 4.472 ( 2.815 -0.050 2.104) 3.515 4.606 ( -3.197 3.272 -2.302) 5.121 4.606 ( -3.197 3.272 2.302) 5.121 ======================= Grid point 314 (93/129) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.243 ( 0.000 -0.000 -4.402) 4.402 1.243 ( 0.000 -0.000 4.402) 4.402 1.421 ( 0.000 0.000 -0.583) 0.583 1.421 ( 0.000 -0.000 0.583) 0.583 1.448 ( 0.000 -0.000 -4.257) 4.257 1.448 ( 0.000 0.000 4.257) 4.257 1.631 ( 0.000 -0.000 -1.728) 1.728 1.631 ( 0.000 0.000 1.728) 1.728 2.061 ( 0.000 -0.000 -3.097) 3.097 2.061 ( 0.000 -0.000 3.097) 3.097 2.163 ( 0.000 -0.000 -1.065) 1.065 2.163 ( -0.000 -0.000 1.065) 1.065 2.236 ( 0.000 -0.000 -0.759) 0.759 2.236 ( 0.000 0.000 0.759) 0.759 2.425 ( 0.000 -0.000 -24.420) 24.420 2.425 ( 0.000 -0.000 24.420) 24.420 2.667 ( 0.000 -0.000 -1.412) 1.412 2.667 ( 0.000 -0.000 1.412) 1.412 3.153 ( 0.000 -0.000 -0.073) 0.073 3.153 ( 0.000 -0.000 0.073) 0.073 3.307 ( 0.000 -0.000 -1.729) 1.729 3.307 ( 0.000 -0.000 1.729) 1.729 3.523 ( 0.000 -0.000 -0.583) 0.583 3.523 ( 0.000 -0.000 0.583) 0.583 3.699 ( 0.000 -0.000 -0.124) 0.124 3.699 ( 0.000 -0.000 0.124) 0.124 3.899 ( 0.000 -0.000 -2.372) 2.372 3.899 ( 0.000 -0.000 2.372) 2.372 3.971 ( 0.000 -0.000 -0.552) 0.552 3.971 ( 0.000 -0.000 0.552) 0.552 4.283 ( 0.000 -0.000 -0.269) 0.269 4.283 ( 0.000 -0.000 0.269) 0.269 4.524 ( 0.000 -0.000 -3.153) 3.153 4.524 ( -0.000 0.000 3.153) 3.153 4.538 ( 0.000 -0.000 -4.589) 4.589 4.538 ( 0.000 -0.000 4.589) 4.589 ======================= Grid point 330 (94/129) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.865 ( 13.997 -0.000 -4.470) 14.693 0.865 ( 13.997 -0.000 4.470) 14.693 1.029 ( 11.854 -0.000 -2.046) 12.029 1.029 ( 11.854 -0.000 2.046) 12.029 1.358 ( 3.997 -0.000 -0.959) 4.111 1.358 ( 3.997 -0.000 0.959) 4.111 1.468 ( 3.127 -0.000 -3.729) 4.867 1.468 ( 3.127 -0.000 3.729) 4.867 1.813 ( 3.997 -0.000 -3.489) 5.306 1.813 ( 3.997 -0.000 3.489) 5.306 2.015 ( 3.458 -0.000 -2.404) 4.211 2.015 ( 3.458 -0.000 2.404) 4.211 2.323 ( 2.716 -0.000 -2.771) 3.880 2.323 ( 2.716 -0.000 2.771) 3.880 2.368 ( 0.604 -0.000 -22.102) 22.111 2.368 ( 0.604 -0.000 22.102) 22.111 2.593 ( 4.470 -0.000 -3.318) 5.567 2.593 ( 4.470 -0.000 3.318) 5.567 2.869 ( 1.146 -0.000 -3.296) 3.490 2.869 ( 1.146 -0.000 3.296) 3.490 3.096 ( -4.820 0.000 -2.562) 5.459 3.096 ( -4.820 0.000 2.562) 5.459 3.486 ( 8.179 -0.000 -3.405) 8.859 3.486 ( 8.179 -0.000 3.405) 8.859 3.776 ( -0.564 0.000 -3.120) 3.170 3.776 ( -0.564 0.000 3.120) 3.170 3.947 ( -0.236 0.000 -0.113) 0.261 3.947 ( -0.236 0.000 0.113) 0.261 4.035 ( 2.905 -0.000 -0.924) 3.048 4.035 ( 2.905 -0.000 0.924) 3.048 4.226 ( 2.741 -0.000 -1.143) 2.970 4.226 ( 2.741 -0.000 1.143) 2.970 4.390 ( -7.068 0.000 -0.879) 7.123 4.390 ( -7.068 0.000 0.879) 7.123 4.841 ( -3.773 0.000 -1.291) 3.988 4.841 ( -3.773 0.000 1.291) 3.988 ======================= Grid point 332 (95/129) ======================= q-point: ( 0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.107 ( 11.142 -0.306 -4.765) 12.122 1.107 ( 11.142 -0.306 4.765) 12.122 1.280 ( 13.662 1.204 -2.798) 13.998 1.280 ( 13.662 1.204 2.798) 13.998 1.422 ( 4.148 1.411 -1.174) 4.536 1.422 ( 4.148 1.411 1.174) 4.536 1.499 ( 0.395 -0.352 -0.201) 0.566 1.499 ( 0.395 -0.352 0.201) 0.566 1.793 ( -2.697 -0.258 -3.618) 4.520 1.793 ( -2.697 -0.258 3.618) 4.520 2.173 ( 6.392 -0.982 -6.483) 9.157 2.173 ( 6.392 -0.982 6.483) 9.157 2.329 ( -1.100 0.921 -17.505) 17.563 2.329 ( -1.100 0.921 17.505) 17.563 2.442 ( 6.357 -1.255 -3.634) 7.429 2.442 ( 6.357 -1.255 3.634) 7.429 2.655 ( 3.674 1.054 -11.918) 12.516 2.655 ( 3.674 1.054 11.918) 12.516 2.899 ( 1.017 -0.335 -1.861) 2.147 2.899 ( 1.017 -0.335 1.861) 2.147 3.034 ( -0.570 -0.901 -4.615) 4.737 3.034 ( -0.570 -0.901 4.615) 4.737 3.591 ( 2.760 -0.302 -1.155) 3.007 3.591 ( 2.760 -0.302 1.155) 3.007 3.752 ( -1.749 0.127 -2.148) 2.773 3.752 ( -1.749 0.127 2.148) 2.773 3.913 ( -2.552 0.452 -0.771) 2.704 3.913 ( -2.552 0.452 0.771) 2.704 4.089 ( -0.266 -0.258 -1.912) 1.947 4.089 ( -0.266 -0.258 1.912) 1.947 4.192 ( -1.336 0.088 -1.089) 1.726 4.192 ( -1.336 0.088 1.089) 1.726 4.371 ( 2.990 0.169 -0.296) 3.009 4.371 ( 2.990 0.169 0.296) 3.009 4.779 ( -2.660 1.267 -1.152) 3.164 4.779 ( -2.660 1.267 1.152) 3.164 ======================= Grid point 334 (96/129) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.262 ( 4.931 0.635 -3.541) 6.103 1.262 ( 4.931 0.635 3.541) 6.103 1.446 ( 5.521 3.074 -2.641) 6.848 1.446 ( 5.521 3.074 2.641) 6.848 1.462 ( 0.093 2.004 -2.858) 3.492 1.462 ( 0.093 2.004 2.858) 3.492 1.550 ( 3.749 -1.923 -4.475) 6.146 1.550 ( 3.749 -1.923 4.475) 6.146 1.812 ( 6.819 0.351 -3.304) 7.586 1.812 ( 6.819 0.351 3.304) 7.586 2.161 ( -5.223 -0.066 -4.333) 6.787 2.161 ( -5.223 -0.066 4.333) 6.787 2.333 ( 0.722 -0.463 -16.968) 16.990 2.333 ( 0.722 -0.463 16.968) 16.990 2.465 ( -4.519 -1.733 -6.965) 8.481 2.465 ( -4.519 -1.733 6.965) 8.481 2.825 ( 9.600 0.689 -4.564) 10.652 2.825 ( 9.600 0.689 4.564) 10.652 2.886 ( 1.496 -0.283 -5.004) 5.231 2.886 ( 1.496 -0.283 5.004) 5.231 3.099 ( 5.611 -0.988 -4.096) 7.017 3.099 ( 5.611 -0.988 4.096) 7.017 3.591 ( -2.366 -0.484 -0.615) 2.492 3.591 ( -2.366 -0.484 0.615) 2.492 3.716 ( -1.924 -0.149 -0.894) 2.127 3.716 ( -1.924 -0.149 0.894) 2.127 3.877 ( -0.648 0.259 -1.788) 1.920 3.877 ( -0.648 0.259 1.788) 1.920 4.038 ( -2.819 -0.134 -2.300) 3.641 4.038 ( -2.819 -0.134 2.300) 3.641 4.232 ( 2.896 -0.018 -0.978) 3.057 4.232 ( 2.896 -0.018 0.978) 3.057 4.427 ( 2.780 0.374 -1.301) 3.092 4.427 ( 2.780 0.374 1.301) 3.092 4.718 ( -3.010 2.330 -1.039) 3.945 4.718 ( -3.010 2.330 1.039) 3.945 ======================= Grid point 336 (97/129) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.284 ( -1.278 1.561 -2.528) 3.234 1.284 ( -1.278 1.561 2.528) 3.234 1.430 ( -0.307 1.343 -1.811) 2.275 1.430 ( -0.307 1.343 1.811) 2.275 1.503 ( 1.898 5.820 -0.831) 6.178 1.503 ( 1.898 5.820 0.831) 6.178 1.600 ( -0.088 -4.564 -1.721) 4.879 1.600 ( -0.088 -4.564 1.721) 4.879 1.973 ( 6.789 -0.174 -3.058) 7.448 1.973 ( 6.789 -0.174 3.058) 7.448 2.112 ( 3.442 1.687 -3.761) 5.370 2.112 ( 3.442 1.687 3.761) 5.370 2.291 ( -6.813 -3.545 -3.418) 8.406 2.291 ( -6.813 -3.545 3.418) 8.406 2.414 ( -0.229 -0.527 -22.025) 22.033 2.414 ( -0.229 -0.527 22.025) 22.033 2.757 ( -6.685 0.346 -0.317) 6.701 2.757 ( -6.685 0.346 0.317) 6.701 3.091 ( 9.617 1.915 -2.593) 10.143 3.091 ( 9.617 1.915 2.593) 10.143 3.218 ( 5.803 -1.940 -2.444) 6.588 3.218 ( 5.803 -1.940 2.444) 6.588 3.546 ( -1.954 0.068 -0.793) 2.110 3.546 ( -1.954 0.068 0.793) 2.110 3.691 ( -0.907 -0.937 -0.208) 1.320 3.691 ( -0.907 -0.937 0.208) 1.320 3.882 ( 1.029 -0.027 -3.182) 3.345 3.882 ( 1.029 -0.027 3.182) 3.345 3.997 ( -1.791 0.228 -1.755) 2.518 3.997 ( -1.791 0.228 1.755) 2.518 4.271 ( 1.281 -0.073 -0.355) 1.331 4.271 ( 1.281 -0.073 0.355) 1.331 4.470 ( 2.112 -0.133 -2.530) 3.298 4.470 ( 2.112 -0.133 2.530) 3.298 4.638 ( -4.010 2.414 -1.247) 4.844 4.638 ( -4.010 2.414 1.247) 4.844 ======================= Grid point 338 (98/129) ======================= q-point: ( 0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.241 ( -1.968 -0.365 -3.525) 4.054 1.241 ( -1.968 -0.365 3.525) 4.054 1.425 ( -0.354 0.313 -2.362) 2.409 1.425 ( -0.354 0.313 2.362) 2.409 1.458 ( -3.600 2.082 -3.592) 5.495 1.458 ( -3.600 2.082 3.592) 5.495 1.631 ( 3.306 -0.083 -2.736) 4.292 1.631 ( 3.306 -0.083 2.736) 4.292 2.038 ( -1.912 -3.451 -3.849) 5.512 2.038 ( -1.912 -3.451 3.849) 5.512 2.165 ( -3.367 0.046 -2.676) 4.301 2.165 ( -3.367 0.046 2.676) 4.301 2.246 ( 6.519 1.470 -2.061) 6.993 2.246 ( 6.519 1.470 2.061) 6.993 2.424 ( -0.044 -0.115 -24.230) 24.230 2.424 ( -0.044 -0.115 24.230) 24.230 2.670 ( -0.248 0.411 -1.169) 1.264 2.670 ( -0.248 0.411 1.169) 1.264 3.153 ( -1.980 0.044 -0.528) 2.049 3.153 ( -1.980 0.044 0.528) 2.049 3.305 ( 1.731 -0.247 -1.647) 2.402 3.305 ( 1.731 -0.247 1.647) 2.402 3.527 ( 0.171 0.542 -0.667) 0.876 3.527 ( 0.171 0.542 0.667) 0.876 3.695 ( 0.722 -0.583 -0.208) 0.951 3.695 ( 0.722 -0.583 0.208) 0.951 3.903 ( 0.718 0.672 -2.529) 2.713 3.903 ( 0.718 0.672 2.529) 2.713 3.969 ( -0.778 -0.450 -0.671) 1.122 3.969 ( -0.778 -0.450 0.671) 1.122 4.283 ( 0.088 0.003 -0.263) 0.277 4.283 ( 0.088 0.003 0.263) 0.277 4.512 ( 1.849 -1.354 -2.434) 3.343 4.512 ( 1.849 -1.354 2.434) 3.343 4.550 ( -3.901 1.342 -2.807) 4.990 4.550 ( -3.901 1.342 2.807) 4.990 ======================= Grid point 340 (99/129) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.227 ( -0.869 -3.298 -3.927) 5.202 1.227 ( -0.869 -3.298 3.927) 5.202 1.378 ( -3.632 -2.456 -1.685) 4.697 1.378 ( -3.632 -2.456 1.685) 4.697 1.426 ( -0.466 -0.551 -3.490) 3.564 1.426 ( -0.466 -0.551 3.490) 3.564 1.680 ( -0.098 0.987 -1.851) 2.100 1.680 ( -0.098 0.987 1.851) 2.100 1.954 ( -6.614 -0.477 -3.337) 7.424 1.954 ( -6.614 -0.476 3.337) 7.424 2.104 ( -0.829 1.287 -4.829) 5.066 2.104 ( -0.829 1.287 4.829) 5.066 2.366 ( 3.670 2.032 -8.839) 9.783 2.366 ( 3.670 2.032 8.839) 9.783 2.425 ( 3.189 0.119 -17.078) 17.374 2.425 ( 3.189 0.119 17.078) 17.374 2.751 ( 7.038 -0.013 -0.570) 7.061 2.751 ( 7.038 -0.013 0.570) 7.061 3.038 ( -10.577 -2.418 -1.216) 10.917 3.038 ( -10.577 -2.418 1.216) 10.917 3.268 ( -4.829 2.088 -2.354) 5.764 3.268 ( -4.829 2.088 2.354) 5.764 3.551 ( 2.874 0.611 -1.041) 3.117 3.551 ( 2.874 0.611 1.041) 3.117 3.713 ( 1.017 0.731 -0.174) 1.264 3.713 ( 1.017 0.731 0.174) 1.264 3.884 ( -1.702 0.246 -2.061) 2.684 3.884 ( -1.702 0.246 2.061) 2.684 3.991 ( 2.316 -0.333 -2.195) 3.208 3.991 ( 2.316 -0.333 2.195) 3.208 4.274 ( -1.174 0.152 -0.560) 1.309 4.274 ( -1.174 0.152 0.560) 1.309 4.470 ( -3.852 -0.345 -1.215) 4.054 4.470 ( -3.852 -0.345 1.215) 4.054 4.569 ( 2.341 -3.034 -3.781) 5.384 4.569 ( 2.341 -3.034 3.781) 5.384 ======================= Grid point 342 (100/129) ======================= q-point: (-0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.217 ( -3.675 -4.186 -2.844) 6.255 1.217 ( -3.675 -4.186 2.844) 6.255 1.329 ( -4.348 -4.278 -1.121) 6.202 1.329 ( -4.348 -4.278 1.121) 6.202 1.425 ( -0.565 -2.013 -2.213) 3.044 1.425 ( -0.565 -2.013 2.213) 3.044 1.582 ( -8.806 0.209 -4.678) 9.974 1.582 ( -8.806 0.209 4.678) 9.974 1.836 ( -3.255 2.983 -1.306) 4.604 1.836 ( -3.255 2.983 1.306) 4.604 2.164 ( 5.768 0.647 -6.740) 8.894 2.164 ( 5.768 0.647 6.740) 8.894 2.358 ( -1.512 1.336 -20.357) 20.456 2.358 ( -1.512 1.336 20.357) 20.456 2.513 ( 3.627 1.768 -3.642) 5.436 2.513 ( 3.627 1.768 3.642) 5.436 2.804 ( -12.886 -1.523 -4.591) 13.764 2.804 ( -12.886 -1.523 4.591) 13.764 2.877 ( 3.509 -0.890 -2.265) 4.270 2.877 ( 3.509 -0.890 2.265) 4.270 3.143 ( -5.610 2.685 -4.273) 7.546 3.143 ( -5.610 2.685 4.273) 7.546 3.610 ( 3.036 1.132 -0.974) 3.384 3.610 ( 3.036 1.132 0.974) 3.384 3.726 ( 1.015 0.714 -0.337) 1.286 3.726 ( 1.015 0.714 0.337) 1.286 3.862 ( -0.508 -1.052 -1.784) 2.132 3.862 ( -0.508 -1.052 1.784) 2.132 4.048 ( 4.127 0.890 -2.557) 4.935 4.048 ( 4.127 0.890 2.557) 4.935 4.234 ( -3.103 0.177 -0.752) 3.197 4.234 ( -3.103 0.177 0.752) 3.197 4.404 ( -3.911 -1.854 -0.364) 4.343 4.404 ( -3.911 -1.854 0.364) 4.343 4.634 ( 2.413 -4.261 -3.684) 6.128 4.634 ( 2.413 -4.261 3.684) 6.128 ======================= Grid point 344 (101/129) ======================= q-point: (-0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.101 ( -10.838 -2.085 -4.620) 11.965 1.101 ( -10.838 -2.085 4.620) 11.965 1.243 ( -7.627 -0.366 -4.173) 8.702 1.243 ( -7.627 -0.366 4.173) 8.702 1.350 ( -7.363 -3.990 -2.590) 8.766 1.350 ( -7.363 -3.990 2.590) 8.766 1.501 ( 0.691 -0.418 -2.112) 2.261 1.501 ( 0.691 -0.418 2.112) 2.261 1.813 ( 0.988 1.504 -2.768) 3.301 1.813 ( 0.988 1.504 2.768) 3.301 2.208 ( -4.742 0.491 -3.974) 6.207 2.208 ( -4.742 0.491 3.974) 6.207 2.303 ( -1.921 0.019 -18.169) 18.271 2.303 ( -1.921 0.019 18.169) 18.271 2.489 ( -4.799 1.841 -1.662) 5.402 2.489 ( -4.799 1.841 1.662) 5.402 2.619 ( -4.855 -0.750 -11.083) 12.122 2.619 ( -4.855 -0.750 11.083) 12.122 2.913 ( -0.356 0.548 -2.624) 2.704 2.913 ( -0.356 0.548 2.624) 2.704 3.076 ( 0.261 2.030 -4.291) 4.755 3.076 ( 0.261 2.030 4.291) 4.755 3.610 ( -2.793 1.356 -1.084) 3.288 3.610 ( -2.793 1.356 1.084) 3.288 3.747 ( 1.197 -0.254 -1.534) 1.962 3.747 ( 1.197 -0.254 1.534) 1.962 3.886 ( 1.981 -1.739 -0.739) 2.737 3.886 ( 1.981 -1.739 0.739) 2.737 4.105 ( -1.028 1.088 -1.580) 2.177 4.105 ( -1.028 1.088 1.580) 2.177 4.187 ( 1.106 -0.292 -0.962) 1.495 4.187 ( 1.106 -0.292 0.962) 1.495 4.355 ( -1.486 -1.495 -0.559) 2.181 4.355 ( -1.486 -1.495 0.559) 2.181 4.709 ( 3.223 -4.127 -4.007) 6.594 4.709 ( 3.223 -4.127 4.007) 6.594 ======================= Grid point 346 (102/129) ======================= q-point: (-0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.867 ( -12.952 0.763 -7.153) 14.816 0.867 ( -12.952 0.763 7.153) 14.816 1.073 ( -8.112 3.842 -4.169) 9.897 1.073 ( -8.112 3.842 4.169) 9.897 1.287 ( -3.474 -5.012 -0.738) 6.143 1.287 ( -3.474 -5.012 0.738) 6.143 1.498 ( -1.969 1.153 -0.993) 2.488 1.498 ( -1.969 1.153 0.993) 2.488 1.792 ( -6.027 -1.783 -3.402) 7.147 1.792 ( -6.027 -1.783 3.402) 7.147 2.041 ( -5.049 1.920 -3.090) 6.223 2.041 ( -5.049 1.920 3.090) 6.223 2.297 ( -1.206 -2.090 -7.450) 7.831 2.297 ( -1.206 -2.090 7.450) 7.831 2.404 ( -2.354 2.307 -12.008) 12.452 2.404 ( -2.354 2.307 12.008) 12.452 2.564 ( -3.136 -1.198 -5.702) 6.617 2.564 ( -3.136 -1.198 5.702) 6.617 2.882 ( -1.813 0.905 -3.401) 3.959 2.882 ( -1.813 0.905 3.401) 3.959 3.111 ( 3.492 0.799 -2.491) 4.363 3.111 ( 3.492 0.799 2.491) 4.363 3.493 ( -8.869 0.622 -3.206) 9.451 3.493 ( -8.869 0.622 3.206) 9.451 3.768 ( 0.690 -0.587 -2.632) 2.784 3.768 ( 0.690 -0.587 2.632) 2.784 3.929 ( 0.888 -1.470 -0.280) 1.740 3.929 ( 0.888 -1.470 0.280) 1.740 4.032 ( -3.609 -0.409 -1.140) 3.807 4.032 ( -3.609 -0.409 1.140) 3.807 4.192 ( -3.475 -2.376 -1.686) 4.535 4.192 ( -3.475 -2.376 1.686) 4.535 4.420 ( 7.731 2.009 -0.317) 7.994 4.420 ( 7.731 2.009 0.317) 7.994 4.804 ( 4.826 -2.706 -4.140) 6.910 4.804 ( 4.826 -2.706 4.140) 6.910 ======================= Grid point 348 (103/129) ======================= q-point: (-0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.671 ( -5.695 3.711 -6.631) 9.496 0.671 ( -5.695 3.711 6.631) 9.496 0.905 ( -6.804 5.874 -5.730) 10.660 0.905 ( -6.804 5.874 5.730) 10.660 1.253 ( -2.364 -2.357 -3.384) 4.753 1.253 ( -2.364 -2.357 3.384) 4.753 1.400 ( -7.017 2.786 -6.998) 10.294 1.400 ( -7.017 2.786 6.998) 10.294 1.656 ( -5.892 -4.239 -5.131) 8.889 1.656 ( -5.892 -4.239 5.131) 8.889 2.068 ( 5.340 -0.912 -2.347) 5.904 2.068 ( 5.340 -0.912 2.347) 5.904 2.264 ( -3.145 -1.027 -2.256) 4.004 2.264 ( -3.145 -1.027 2.256) 4.004 2.375 ( -0.295 1.232 -22.325) 22.361 2.375 ( -0.295 1.232 22.325) 22.361 2.509 ( -2.512 0.162 -0.798) 2.641 2.509 ( -2.512 0.162 0.798) 2.641 2.853 ( -0.944 -0.504 -4.161) 4.296 2.853 ( -0.944 -0.504 4.161) 4.296 3.166 ( 1.496 -0.472 -1.852) 2.427 3.166 ( 1.496 -0.472 1.852) 2.427 3.302 ( -9.782 -0.592 -2.853) 10.207 3.302 ( -9.782 -0.592 2.853) 10.207 3.770 ( -0.650 0.266 -3.294) 3.368 3.770 ( -0.650 0.266 3.294) 3.368 3.931 ( -0.185 -0.343 -1.081) 1.148 3.931 ( -0.185 -0.343 1.081) 1.148 4.014 ( 0.572 -0.841 -1.489) 1.803 4.014 ( 0.572 -0.841 1.489) 1.803 4.121 ( -4.697 -2.219 -0.891) 5.270 4.121 ( -4.697 -2.219 0.891) 5.270 4.546 ( 5.777 1.432 -1.285) 6.089 4.546 ( 5.777 1.432 1.285) 6.089 4.908 ( 4.628 -1.065 -4.463) 6.517 4.908 ( 4.628 -1.065 4.463) 6.517 ======================= Grid point 350 (104/129) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.604 ( -0.000 5.313 -11.408) 12.585 0.604 ( -0.000 5.313 11.408) 12.585 0.795 ( -0.000 4.134 -13.533) 14.150 0.795 ( -0.000 4.134 13.533) 14.150 1.234 ( -0.000 2.309 -15.984) 16.150 1.234 ( -0.000 2.309 15.984) 16.150 1.300 ( 0.000 -0.721 -1.757) 1.899 1.300 ( 0.000 -0.721 1.757) 1.899 1.636 ( 0.000 -3.972 -4.077) 5.692 1.636 ( 0.000 -3.972 4.077) 5.692 2.170 ( 0.000 -2.557 -6.423) 6.913 2.170 ( 0.000 -2.557 6.423) 6.913 2.208 ( 0.000 -0.326 -6.338) 6.346 2.208 ( 0.000 -0.326 6.338) 6.346 2.361 ( -0.000 2.255 -20.710) 20.832 2.361 ( -0.000 2.255 20.710) 20.832 2.486 ( 0.000 -0.027 -2.032) 2.032 2.486 ( 0.000 -0.027 2.032) 2.032 2.850 ( 0.000 -0.943 -4.166) 4.272 2.850 ( 0.000 -0.943 4.166) 4.272 3.143 ( 0.000 -0.582 -1.247) 1.376 3.143 ( 0.000 -0.582 1.247) 1.376 3.235 ( 0.000 -0.947 -0.990) 1.370 3.235 ( 0.000 -0.947 0.990) 1.370 3.755 ( -0.000 0.854 -3.127) 3.241 3.755 ( -0.000 0.854 3.127) 3.241 3.936 ( 0.000 -0.239 -1.617) 1.634 3.936 ( 0.000 -0.239 1.617) 1.634 4.028 ( -0.000 0.215 -0.312) 0.379 4.028 ( -0.000 0.215 0.312) 0.379 4.077 ( 0.000 -2.298 -1.063) 2.531 4.077 ( 0.000 -2.298 1.063) 2.531 4.597 ( -0.000 0.620 -2.457) 2.534 4.597 ( -0.000 0.620 2.457) 2.534 4.961 ( 0.000 -0.475 -5.169) 5.191 4.961 ( 0.000 -0.475 5.169) 5.191 ======================= Grid point 356 (105/129) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.265 ( 5.351 -0.000 -3.584) 6.441 1.265 ( 5.351 -0.000 3.584) 6.441 1.461 ( 3.124 -0.000 -2.689) 4.122 1.461 ( 3.124 -0.000 2.689) 4.122 1.478 ( 3.286 -0.000 -2.344) 4.037 1.478 ( 3.286 -0.000 2.344) 4.037 1.538 ( 1.941 -0.000 -3.644) 4.129 1.538 ( 1.941 -0.000 3.644) 4.129 1.815 ( 7.584 -0.000 -3.601) 8.396 1.815 ( 7.584 -0.000 3.601) 8.396 2.161 ( -4.907 0.000 -3.220) 5.869 2.161 ( -4.907 0.000 3.220) 5.869 2.331 ( 0.156 -0.000 -16.987) 16.988 2.331 ( 0.156 -0.000 16.987) 16.988 2.455 ( -4.496 0.000 -8.335) 9.470 2.455 ( -4.496 0.000 8.335) 9.470 2.830 ( 9.135 -0.000 -4.705) 10.275 2.830 ( 9.135 -0.000 4.705) 10.275 2.884 ( 2.102 -0.000 -5.619) 6.000 2.884 ( 2.102 -0.000 5.619) 6.000 3.093 ( 5.720 -0.000 -3.910) 6.929 3.093 ( 5.720 -0.000 3.910) 6.929 3.588 ( -2.267 0.000 -0.548) 2.332 3.588 ( -2.267 0.000 0.548) 2.332 3.715 ( -2.081 0.000 -1.003) 2.310 3.715 ( -2.081 0.000 1.003) 2.310 3.878 ( -0.829 0.000 -1.807) 1.988 3.878 ( -0.829 0.000 1.807) 1.988 4.037 ( -2.643 0.000 -2.255) 3.474 4.037 ( -2.643 0.000 2.255) 3.474 4.232 ( 2.861 -0.000 -1.052) 3.049 4.232 ( 2.861 -0.000 1.052) 3.049 4.429 ( 2.675 -0.000 -1.397) 3.018 4.429 ( 2.675 -0.000 1.397) 3.018 4.732 ( -3.137 0.000 -0.691) 3.212 4.732 ( -3.137 0.000 0.691) 3.212 ======================= Grid point 358 (106/129) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.296 ( -1.646 0.519 -2.720) 3.222 1.296 ( -1.646 0.519 2.720) 3.222 1.446 ( -1.104 1.140 -2.745) 3.171 1.446 ( -1.104 1.140 2.745) 3.171 1.549 ( 0.997 0.153 -1.683) 1.962 1.549 ( 0.997 0.153 1.683) 1.962 1.563 ( 2.295 0.151 -1.754) 2.892 1.563 ( 2.295 0.151 1.754) 2.892 1.967 ( 3.842 -0.587 -3.196) 5.032 1.967 ( 3.842 -0.587 3.196) 5.032 2.128 ( 5.386 0.869 -1.910) 5.781 2.128 ( 5.386 0.869 1.910) 5.781 2.262 ( -7.259 -1.416 -3.280) 8.090 2.262 ( -7.259 -1.416 3.280) 8.090 2.409 ( 0.278 -0.227 -22.586) 22.589 2.409 ( 0.278 -0.227 22.586) 22.589 2.760 ( -6.490 0.136 -0.392) 6.503 2.760 ( -6.490 0.136 0.392) 6.503 3.107 ( 9.970 0.761 -3.337) 10.541 3.107 ( 9.970 0.761 3.337) 10.541 3.201 ( 5.484 -0.806 -1.449) 5.729 3.201 ( 5.484 -0.806 1.449) 5.729 3.547 ( -1.511 0.082 -0.673) 1.656 3.547 ( -1.511 0.082 0.673) 1.656 3.683 ( -1.142 -0.377 -0.205) 1.220 3.683 ( -1.142 -0.377 0.205) 1.220 3.882 ( 1.068 -0.019 -3.466) 3.627 3.882 ( 1.068 -0.019 3.466) 3.627 3.999 ( -1.805 0.091 -1.712) 2.490 3.999 ( -1.805 0.091 1.712) 2.490 4.271 ( 1.294 -0.025 -0.442) 1.368 4.271 ( 1.294 -0.025 0.442) 1.368 4.469 ( 1.757 -0.059 -2.686) 3.211 4.469 ( 1.757 -0.059 2.686) 3.211 4.657 ( -4.493 0.881 -0.478) 4.603 4.657 ( -4.493 0.881 0.478) 4.603 ======================= Grid point 360 (107/129) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.236 ( -3.415 -0.293 -2.250) 4.100 1.236 ( -3.415 -0.293 2.250) 4.100 1.425 ( -1.177 -0.139 -4.061) 4.231 1.425 ( -1.177 -0.139 4.061) 4.231 1.491 ( -5.245 3.074 -2.929) 6.749 1.491 ( -5.245 3.074 2.929) 6.749 1.628 ( 4.438 -0.613 -3.704) 5.813 1.628 ( 4.438 -0.613 3.704) 5.813 1.998 ( -1.823 -2.934 -4.270) 5.492 1.998 ( -1.823 -2.934 4.270) 5.492 2.163 ( -2.035 -0.302 -3.194) 3.799 2.163 ( -2.035 -0.302 3.194) 3.799 2.263 ( 6.670 1.211 -1.727) 6.996 2.263 ( 6.670 1.211 1.727) 6.996 2.423 ( -0.019 -0.102 -23.820) 23.821 2.423 ( -0.019 -0.102 23.820) 23.821 2.675 ( -0.276 0.405 -0.672) 0.831 2.675 ( -0.276 0.405 0.672) 0.831 3.154 ( -3.456 0.044 -0.927) 3.579 3.154 ( -3.456 0.044 0.927) 3.579 3.302 ( 3.041 -0.242 -1.459) 3.381 3.302 ( 3.041 -0.242 1.459) 3.381 3.533 ( 0.269 0.572 -0.838) 1.050 3.533 ( 0.269 0.572 0.838) 1.050 3.688 ( 1.221 -0.607 -0.383) 1.416 3.688 ( 1.221 -0.607 0.383) 1.416 3.913 ( 1.852 0.816 -3.059) 3.668 3.913 ( 1.852 0.816 3.059) 3.668 3.962 ( -1.902 -0.608 -1.148) 2.303 3.962 ( -1.902 -0.608 1.148) 2.303 4.284 ( 0.155 0.003 -0.247) 0.292 4.284 ( 0.155 0.003 0.247) 0.292 4.499 ( 1.199 -0.819 -2.569) 2.951 4.499 ( 1.199 -0.819 2.569) 2.951 4.563 ( -4.756 0.808 -2.304) 5.347 4.563 ( -4.756 0.808 2.304) 5.347 ======================= Grid point 362 (108/129) ======================= q-point: (-0.58 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.191 ( -2.463 -2.774 -3.062) 4.810 1.191 ( -2.463 -2.774 3.062) 4.810 1.366 ( -4.544 0.093 -1.271) 4.719 1.366 ( -4.544 0.093 1.271) 4.719 1.419 ( -1.521 -0.744 -2.784) 3.259 1.419 ( -1.521 -0.744 2.784) 3.259 1.674 ( -1.852 -1.682 -2.035) 3.225 1.674 ( -1.852 -1.682 2.035) 3.225 1.958 ( -2.306 0.978 -2.722) 3.699 1.958 ( -2.306 0.978 2.722) 3.699 2.125 ( -0.620 2.370 -4.540) 5.159 2.125 ( -0.620 2.370 4.540) 5.159 2.381 ( 2.941 0.837 -11.623) 12.019 2.381 ( 2.941 0.837 11.623) 12.019 2.420 ( 3.798 -1.093 -15.908) 16.392 2.420 ( 3.798 -1.093 15.908) 16.392 2.753 ( 6.783 0.339 -0.421) 6.804 2.753 ( 6.783 0.339 0.421) 6.804 3.014 ( -11.376 -1.709 -0.784) 11.531 3.014 ( -11.376 -1.709 0.784) 11.531 3.288 ( -3.951 1.408 -1.728) 4.536 3.288 ( -3.951 1.408 1.728) 4.536 3.559 ( 3.014 0.702 -1.157) 3.304 3.559 ( 3.014 0.702 1.157) 3.304 3.718 ( 1.515 0.233 -0.195) 1.545 3.718 ( 1.515 0.233 0.195) 1.545 3.888 ( -2.708 0.465 -1.611) 3.185 3.888 ( -2.708 0.465 1.611) 3.185 3.987 ( 3.149 -0.342 -2.651) 4.130 3.987 ( 3.149 -0.342 2.651) 4.130 4.276 ( -1.064 0.149 -0.762) 1.317 4.276 ( -1.064 0.149 0.762) 1.317 4.463 ( -4.957 -0.899 -0.190) 5.042 4.463 ( -4.957 -0.899 0.190) 5.042 4.541 ( 1.627 -1.708 -5.395) 5.889 4.541 ( 1.627 -1.708 5.395) 5.889 ======================= Grid point 364 (109/129) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.159 ( -4.161 -5.372 -1.890) 7.053 1.159 ( -4.161 -5.372 1.890) 7.053 1.298 ( -3.517 -1.629 -1.378) 4.113 1.298 ( -3.517 -1.629 1.378) 4.113 1.399 ( -2.012 -2.470 -2.581) 4.099 1.399 ( -2.012 -2.470 2.581) 4.099 1.581 ( -7.459 -0.186 -3.561) 8.267 1.581 ( -7.459 -0.186 3.561) 8.267 1.873 ( -3.611 3.088 -0.557) 4.784 1.873 ( -3.611 3.088 0.557) 4.784 2.179 ( 5.316 2.001 -7.017) 9.028 2.179 ( 5.316 2.001 7.017) 9.028 2.372 ( -1.005 1.160 -22.479) 22.531 2.372 ( -1.005 1.160 22.479) 22.531 2.527 ( 3.457 0.763 -3.363) 4.883 2.527 ( 3.457 0.763 3.363) 4.883 2.778 ( -12.914 -2.970 -3.818) 13.790 2.778 ( -12.914 -2.970 3.818) 13.790 2.872 ( 4.344 -0.042 -1.471) 4.586 2.872 ( 4.344 -0.042 1.471) 4.586 3.173 ( -5.802 2.491 -3.765) 7.351 3.173 ( -5.802 2.491 3.765) 7.351 3.623 ( 3.412 1.084 -1.166) 3.765 3.623 ( 3.412 1.084 1.166) 3.765 3.735 ( 0.679 0.830 -0.099) 1.077 3.735 ( 0.679 0.830 0.099) 1.077 3.849 ( -1.217 -1.208 -1.855) 2.526 3.849 ( -1.217 -1.208 1.855) 2.526 4.061 ( 5.187 1.304 -2.653) 5.970 4.061 ( 5.187 1.304 2.653) 5.970 4.237 ( -3.150 0.374 -0.861) 3.287 4.237 ( -3.150 0.374 0.861) 3.287 4.377 ( -5.177 -2.913 -0.224) 5.944 4.377 ( -5.177 -2.913 0.224) 5.944 4.591 ( 2.260 -3.129 -5.336) 6.586 4.591 ( 2.260 -3.129 5.336) 6.586 ======================= Grid point 366 (110/129) ======================= q-point: (-0.42 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.068 ( -8.647 -3.343 -3.519) 9.916 1.068 ( -8.647 -3.343 3.519) 9.916 1.241 ( -4.182 -0.821 -3.013) 5.219 1.241 ( -4.182 -0.821 3.013) 5.219 1.315 ( -8.125 -1.550 -0.852) 8.315 1.315 ( -8.125 -1.550 0.852) 8.315 1.495 ( -0.374 -0.696 -2.620) 2.736 1.495 ( -0.374 -0.696 2.620) 2.736 1.831 ( -0.378 1.564 -2.721) 3.161 1.831 ( -0.378 1.564 2.721) 3.161 2.200 ( -5.526 -1.785 -3.728) 6.901 2.200 ( -5.526 -1.785 3.728) 6.901 2.313 ( -3.612 1.302 -19.336) 19.714 2.313 ( -3.612 1.302 19.336) 19.714 2.507 ( -2.972 1.704 -4.104) 5.346 2.507 ( -2.972 1.704 4.104) 5.346 2.620 ( -4.569 0.703 -9.963) 10.983 2.620 ( -4.569 0.703 9.963) 10.983 2.916 ( 0.111 -0.045 -2.848) 2.850 2.916 ( 0.111 -0.045 2.848) 2.850 3.096 ( -0.614 1.467 -4.038) 4.340 3.096 ( -0.614 1.467 4.038) 4.340 3.627 ( -2.810 1.565 -1.019) 3.374 3.627 ( -2.810 1.565 1.019) 3.374 3.745 ( 0.705 -0.075 -1.007) 1.231 3.745 ( 0.705 -0.075 1.007) 1.231 3.866 ( 1.802 -1.799 -0.580) 2.611 3.866 ( 1.802 -1.799 0.580) 2.611 4.119 ( -3.107 1.252 -1.366) 3.617 4.119 ( -3.107 1.252 1.366) 3.617 4.185 ( 1.086 -0.101 -0.877) 1.399 4.185 ( 1.086 -0.101 0.877) 1.399 4.332 ( 0.425 -2.605 -0.688) 2.727 4.332 ( 0.425 -2.605 0.688) 2.727 4.665 ( 3.783 -3.481 -5.955) 7.868 4.665 ( 3.783 -3.481 5.955) 7.868 ======================= Grid point 368 (111/129) ======================= q-point: (-0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.885 ( -10.092 2.403 -7.326) 12.701 0.885 ( -10.092 2.403 7.326) 12.701 1.122 ( -5.658 4.470 -4.276) 8.383 1.122 ( -5.658 4.470 4.276) 8.383 1.231 ( -3.535 -4.462 -1.206) 5.819 1.231 ( -3.535 -4.462 1.206) 5.819 1.502 ( -0.874 -0.497 -0.924) 1.366 1.502 ( -0.874 -0.497 0.924) 1.366 1.769 ( -8.355 -2.142 -2.850) 9.084 1.769 ( -8.355 -2.142 2.850) 9.084 2.057 ( -4.920 0.189 -2.674) 5.603 2.057 ( -4.920 0.189 2.674) 5.603 2.274 ( -1.638 -1.525 -10.542) 10.777 2.274 ( -1.638 -1.525 10.542) 10.777 2.429 ( -3.727 2.031 -9.817) 10.695 2.429 ( -3.727 2.031 9.817) 10.695 2.562 ( -1.969 0.810 -8.624) 8.883 2.562 ( -1.969 0.810 8.624) 8.883 2.891 ( -2.223 0.506 -3.492) 4.171 2.891 ( -2.223 0.506 3.492) 4.171 3.117 ( 2.562 0.286 -2.642) 3.691 3.117 ( 2.562 0.286 2.642) 3.691 3.501 ( -9.721 0.711 -2.943) 10.181 3.501 ( -9.721 0.711 2.943) 10.181 3.762 ( 0.838 -0.522 -2.190) 2.402 3.762 ( 0.838 -0.522 2.190) 2.402 3.910 ( 1.354 -1.689 -0.331) 2.190 3.910 ( 1.354 -1.689 0.331) 2.190 4.024 ( -4.307 -0.914 -1.158) 4.552 4.024 ( -4.307 -0.914 1.158) 4.552 4.166 ( -3.810 -2.125 -1.439) 4.594 4.166 ( -3.810 -2.125 1.439) 4.594 4.441 ( 8.407 1.737 -0.714) 8.615 4.441 ( 8.407 1.737 0.714) 8.615 4.774 ( 5.949 -2.467 -6.295) 9.006 4.774 ( 5.949 -2.467 6.295) 9.006 ======================= Grid point 370 (112/129) ======================= q-point: (-0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.728 ( -2.825 6.345 -6.208) 9.315 0.728 ( -2.825 6.345 6.208) 9.315 0.983 ( -6.128 7.677 -4.556) 10.828 0.983 ( -6.128 7.677 4.556) 10.828 1.218 ( 0.020 -3.687 -1.658) 4.042 1.218 ( 0.020 -3.687 1.658) 4.042 1.434 ( -6.502 2.914 -4.701) 8.537 1.434 ( -6.502 2.914 4.701) 8.537 1.601 ( -7.759 -5.282 -4.672) 10.485 1.601 ( -7.759 -5.282 4.672) 10.485 2.058 ( 3.525 -0.721 -4.857) 6.044 2.058 ( 3.525 -0.721 4.857) 6.044 2.247 ( -2.949 -2.049 -3.428) 4.965 2.247 ( -2.949 -2.049 3.428) 4.965 2.379 ( -0.971 -0.572 -20.045) 20.077 2.379 ( -0.971 -0.572 20.045) 20.077 2.522 ( -1.255 2.160 -4.395) 5.055 2.522 ( -1.255 2.160 4.395) 5.055 2.846 ( -2.031 -0.726 -4.022) 4.564 2.846 ( -2.031 -0.726 4.022) 4.564 3.159 ( 0.895 -0.692 -1.949) 2.253 3.159 ( 0.895 -0.692 1.949) 2.253 3.294 ( -10.287 -0.655 -2.393) 10.582 3.294 ( -10.287 -0.655 2.393) 10.582 3.773 ( 0.153 0.294 -3.110) 3.128 3.773 ( 0.153 0.294 3.110) 3.128 3.925 ( 0.046 -0.594 -1.151) 1.296 3.925 ( 0.046 -0.594 1.151) 1.296 4.000 ( 0.423 -1.781 -2.050) 2.748 4.000 ( 0.423 -1.781 2.050) 2.748 4.096 ( -4.444 -1.901 -0.806) 4.900 4.096 ( -4.444 -1.901 0.806) 4.900 4.564 ( 5.228 1.675 -0.678) 5.532 4.564 ( 5.228 1.675 0.678) 5.532 4.896 ( 5.409 -0.890 -6.360) 8.397 4.896 ( 5.409 -0.890 6.360) 8.397 ======================= Grid point 372 (113/129) ======================= q-point: (-0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.684 ( -0.000 8.552 -8.181) 11.835 0.684 ( -0.000 8.552 8.181) 11.835 0.857 ( -0.000 6.351 -10.143) 11.968 0.857 ( -0.000 6.351 10.143) 11.968 1.268 ( -0.000 3.447 -12.495) 12.962 1.268 ( -0.000 3.447 12.495) 12.962 1.290 ( 0.000 -0.742 -1.707) 1.862 1.290 ( 0.000 -0.742 1.707) 1.862 1.576 ( 0.000 -6.232 -3.582) 7.188 1.576 ( 0.000 -6.232 3.582) 7.188 2.135 ( 0.000 -3.481 -2.821) 4.480 2.135 ( 0.000 -3.481 2.821) 4.480 2.202 ( 0.000 -0.710 -5.956) 5.999 2.202 ( 0.000 -0.710 5.956) 5.999 2.377 ( -0.000 0.009 -22.742) 22.742 2.377 ( -0.000 0.009 22.742) 22.742 2.497 ( -0.000 2.280 -1.264) 2.607 2.497 ( -0.000 2.280 1.264) 2.607 2.835 ( 0.000 -1.705 -4.164) 4.499 2.835 ( 0.000 -1.705 4.164) 4.499 3.134 ( 0.000 -0.985 -1.172) 1.531 3.134 ( 0.000 -0.985 1.172) 1.531 3.223 ( 0.000 -1.036 -1.325) 1.682 3.223 ( 0.000 -1.036 1.325) 1.682 3.767 ( -0.000 1.160 -3.188) 3.393 3.767 ( -0.000 1.160 3.188) 3.393 3.932 ( 0.000 -0.480 -1.475) 1.551 3.932 ( 0.000 -0.480 1.475) 1.551 4.032 ( -0.000 0.373 -0.267) 0.459 4.032 ( -0.000 0.373 0.267) 0.459 4.043 ( 0.000 -3.610 -1.681) 3.982 4.043 ( 0.000 -3.610 1.681) 3.982 4.607 ( -0.000 1.070 -0.432) 1.154 4.607 ( -0.000 1.070 0.432) 1.154 4.955 ( 0.000 -0.418 -6.437) 6.451 4.955 ( 0.000 -0.418 6.437) 6.451 ======================= Grid point 382 (114/129) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.235 ( -3.946 0.000 -1.909) 4.384 1.235 ( -3.946 0.000 1.909) 4.384 1.424 ( -1.487 0.000 -4.279) 4.530 1.424 ( -1.487 0.000 4.279) 4.530 1.512 ( -5.703 0.000 -0.085) 5.704 1.512 ( -5.703 0.000 0.085) 5.704 1.622 ( 4.259 -0.000 -3.983) 5.832 1.622 ( 4.259 -0.000 3.983) 5.832 1.981 ( -1.115 0.000 -4.057) 4.208 1.981 ( -1.115 0.000 4.057) 4.208 2.161 ( -1.091 0.000 -3.028) 3.218 2.161 ( -1.091 0.000 3.028) 3.218 2.270 ( 5.976 -0.000 -0.803) 6.030 2.270 ( 5.976 -0.000 0.803) 6.030 2.422 ( 0.019 -0.000 -23.597) 23.597 2.422 ( 0.019 -0.000 23.597) 23.597 2.677 ( -0.235 0.000 -0.379) 0.446 2.677 ( -0.235 0.000 0.379) 0.446 3.154 ( -4.007 0.000 -1.079) 4.150 3.154 ( -4.007 0.000 1.079) 4.150 3.301 ( 3.536 -0.000 -1.349) 3.784 3.301 ( 3.536 -0.000 1.349) 3.784 3.537 ( 0.292 -0.000 -0.929) 0.974 3.537 ( 0.292 -0.000 0.929) 0.974 3.684 ( 1.398 -0.000 -0.478) 1.477 3.684 ( 1.398 -0.000 0.478) 1.477 3.918 ( 2.801 -0.000 -3.598) 4.560 3.918 ( 2.801 -0.000 3.598) 4.560 3.958 ( -2.831 0.000 -1.669) 3.286 3.958 ( -2.831 0.000 1.669) 3.286 4.284 ( 0.180 -0.000 -0.239) 0.299 4.284 ( 0.180 -0.000 0.239) 0.299 4.494 ( 0.925 -0.000 -2.622) 2.780 4.494 ( 0.925 -0.000 2.622) 2.780 4.568 ( -5.034 0.000 -2.163) 5.479 4.568 ( -5.034 0.000 2.163) 5.479 ======================= Grid point 384 (115/129) ======================= q-point: (-0.67 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.169 ( -3.479 -1.042 -1.231) 3.835 1.169 ( -3.479 -1.042 1.231) 3.835 1.374 ( -4.820 0.915 -1.405) 5.103 1.374 ( -4.820 0.915 1.405) 5.103 1.409 ( -3.120 -0.878 -3.850) 5.033 1.409 ( -3.120 -0.878 3.850) 5.033 1.656 ( -1.999 -1.080 -1.573) 2.763 1.656 ( -1.999 -1.080 1.573) 2.763 1.968 ( -0.364 0.542 -1.041) 1.229 1.968 ( -0.364 0.542 1.041) 1.229 2.149 ( 0.125 1.414 -3.462) 3.741 2.149 ( 0.125 1.414 3.462) 3.741 2.388 ( 5.583 0.435 -7.033) 8.990 2.388 ( 5.583 0.435 7.033) 8.990 2.405 ( 1.001 -1.127 -21.948) 22.000 2.405 ( 1.001 -1.127 21.948) 22.000 2.756 ( 6.460 0.216 -0.235) 6.467 2.756 ( 6.460 0.216 0.235) 6.467 3.001 ( -11.822 -0.607 -0.514) 11.849 3.001 ( -11.822 -0.607 0.514) 11.849 3.299 ( -3.376 0.492 -1.152) 3.601 3.299 ( -3.376 0.492 1.152) 3.601 3.565 ( 3.020 0.319 -1.242) 3.281 3.565 ( 3.020 0.319 1.242) 3.281 3.719 ( 1.907 0.000 -0.238) 1.922 3.719 ( 1.907 0.000 0.238) 1.922 3.893 ( -3.650 0.268 -1.568) 3.982 3.893 ( -3.650 0.268 1.568) 3.982 3.984 ( 4.001 -0.168 -3.077) 5.051 3.984 ( 4.001 -0.168 3.077) 5.051 4.277 ( -0.962 0.067 -0.874) 1.301 4.277 ( -0.962 0.067 0.874) 1.301 4.454 ( -5.570 -0.547 -0.452) 5.615 4.454 ( -5.570 -0.547 0.452) 5.615 4.530 ( 1.075 -0.444 -6.141) 6.251 4.530 ( 1.075 -0.444 6.141) 6.251 ======================= Grid point 386 (116/129) ======================= q-point: (-0.58 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.108 ( -4.581 -3.411 -1.001) 5.798 1.108 ( -4.581 -3.411 1.001) 5.798 1.287 ( -3.947 -0.492 -2.576) 4.738 1.287 ( -3.947 -0.492 2.576) 4.738 1.374 ( -2.163 -1.785 -4.007) 4.891 1.374 ( -2.163 -1.785 4.007) 4.891 1.580 ( -5.815 -0.052 -1.983) 6.144 1.580 ( -5.815 -0.052 1.983) 6.144 1.900 ( -4.305 1.581 -0.076) 4.587 1.900 ( -4.305 1.581 0.076) 4.587 2.205 ( 4.342 2.183 -6.870) 8.415 2.205 ( 4.342 2.183 6.870) 8.415 2.384 ( -0.654 0.895 -23.503) 23.529 2.384 ( -0.654 0.895 23.503) 23.529 2.531 ( 4.781 -0.064 -2.830) 5.556 2.531 ( 4.781 -0.064 2.830) 5.556 2.744 ( -12.456 -2.677 -3.317) 13.165 2.744 ( -12.456 -2.677 3.317) 13.165 2.874 ( 3.549 0.365 -1.388) 3.828 2.874 ( 3.549 0.365 1.388) 3.828 3.196 ( -5.942 1.482 -3.177) 6.899 3.196 ( -5.942 1.482 3.177) 6.899 3.633 ( 3.653 0.679 -1.313) 3.941 3.633 ( 3.653 0.679 1.313) 3.941 3.743 ( 0.656 0.590 -0.050) 0.883 3.743 ( 0.656 0.590 0.050) 0.883 3.837 ( -1.863 -0.859 -1.937) 2.822 3.837 ( -1.863 -0.859 1.937) 2.822 4.076 ( 6.372 1.137 -2.671) 7.002 4.076 ( 6.372 1.137 2.671) 7.002 4.242 ( -2.879 0.567 -0.985) 3.095 4.242 ( -2.879 0.567 0.985) 3.095 4.343 ( -6.869 -2.764 -0.334) 7.412 4.343 ( -6.869 -2.764 0.334) 7.412 4.565 ( 2.176 -1.460 -6.316) 6.838 4.565 ( 2.176 -1.460 6.316) 6.838 ======================= Grid point 388 (117/129) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.033 ( -5.422 -2.586 -1.765) 6.262 1.033 ( -5.422 -2.586 1.765) 6.262 1.218 ( -5.125 -2.576 -2.968) 6.458 1.218 ( -5.125 -2.576 2.968) 6.458 1.318 ( -4.627 1.319 -2.274) 5.322 1.318 ( -4.627 1.319 2.274) 5.322 1.487 ( -2.237 -0.511 -2.201) 3.179 1.487 ( -2.237 -0.511 2.201) 3.179 1.846 ( -1.316 1.065 -2.580) 3.086 1.846 ( -1.316 1.065 2.580) 3.086 2.176 ( -9.104 -2.012 -4.520) 10.361 2.176 ( -9.104 -2.012 4.520) 10.361 2.325 ( -3.574 0.712 -20.042) 20.370 2.325 ( -3.574 0.712 20.042) 20.370 2.534 ( -1.173 2.976 -4.360) 5.408 2.534 ( -1.173 2.976 4.360) 5.408 2.626 ( -3.092 -0.096 -7.898) 8.482 2.626 ( -3.092 -0.096 7.898) 8.482 2.913 ( 0.203 -0.421 -2.866) 2.904 2.913 ( 0.203 -0.421 2.866) 2.904 3.109 ( -1.737 0.831 -3.904) 4.353 3.109 ( -1.737 0.831 3.904) 4.353 3.644 ( -2.824 1.294 -0.956) 3.250 3.644 ( -2.824 1.294 0.956) 3.250 3.745 ( 0.215 0.079 -0.606) 0.647 3.745 ( 0.215 0.079 0.606) 0.647 3.848 ( 1.848 -1.367 -0.536) 2.360 3.848 ( 1.848 -1.367 0.536) 2.360 4.132 ( -6.519 0.974 -1.024) 6.670 4.132 ( -6.519 0.974 1.024) 6.670 4.187 ( 0.878 0.573 -0.569) 1.193 4.187 ( 0.878 0.573 0.569) 1.193 4.298 ( 3.857 -3.211 -0.841) 5.089 4.298 ( 3.857 -3.211 0.841) 5.089 4.634 ( 4.255 -2.046 -7.329) 8.718 4.634 ( 4.255 -2.046 7.329) 8.718 ======================= Grid point 390 (118/129) ======================= q-point: (-0.42 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.921 ( -6.294 3.858 -5.645) 9.293 0.921 ( -6.294 3.858 5.645) 9.293 1.136 ( -3.392 -3.215 -0.986) 4.777 1.136 ( -3.392 -3.215 0.986) 4.777 1.224 ( -3.880 4.256 -3.435) 6.706 1.224 ( -3.881 4.256 3.435) 6.706 1.487 ( -0.241 -2.015 -1.497) 2.522 1.487 ( -0.241 -2.015 1.497) 2.522 1.746 ( -11.322 -1.876 -2.469) 11.740 1.746 ( -11.322 -1.876 2.469) 11.740 2.037 ( -3.199 -3.437 -2.727) 5.430 2.037 ( -3.199 -3.437 2.727) 5.430 2.271 ( -2.611 0.888 -13.247) 13.531 2.271 ( -2.611 0.888 13.247) 13.531 2.452 ( -5.420 2.149 -8.233) 10.089 2.452 ( -5.420 2.149 8.233) 10.089 2.578 ( -1.264 1.787 -9.960) 10.197 2.578 ( -1.264 1.787 9.960) 10.197 2.891 ( -2.569 -0.389 -3.632) 4.466 2.891 ( -2.569 -0.389 3.632) 4.466 3.118 ( 2.051 -0.072 -3.022) 3.653 3.118 ( 2.051 -0.072 3.022) 3.653 3.509 ( -10.740 0.591 -2.612) 11.069 3.509 ( -10.740 0.591 2.612) 11.069 3.757 ( 0.978 -0.276 -1.862) 2.121 3.757 ( 0.978 -0.276 1.862) 2.121 3.892 ( 1.666 -1.447 -0.301) 2.227 3.892 ( 1.666 -1.447 0.301) 2.227 4.011 ( -4.953 -1.341 -0.996) 5.227 4.011 ( -4.953 -1.341 0.996) 5.227 4.147 ( -3.771 -1.310 -0.829) 4.077 4.147 ( -3.771 -1.310 0.829) 4.077 4.457 ( 9.099 1.114 -1.036) 9.225 4.457 ( 9.099 1.114 1.036) 9.225 4.751 ( 7.048 -1.582 -8.035) 10.804 4.751 ( 7.048 -1.582 8.035) 10.804 ======================= Grid point 392 (119/129) ======================= q-point: (-0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.808 ( -0.814 7.408 -3.772) 8.353 0.808 ( -0.814 7.408 3.772) 8.353 1.073 ( -6.547 7.943 -2.170) 10.520 1.073 ( -6.547 7.943 2.170) 10.520 1.175 ( 2.802 -3.643 -1.455) 4.820 1.175 ( 2.802 -3.643 1.455) 4.820 1.456 ( -4.899 0.682 -1.892) 5.295 1.456 ( -4.899 0.682 1.892) 5.295 1.542 ( -9.163 -4.799 -3.843) 11.034 1.542 ( -9.163 -4.799 3.843) 11.034 2.051 ( 2.115 -0.660 -7.009) 7.351 2.051 ( 2.115 -0.660 7.009) 7.351 2.223 ( -2.676 -1.721 -5.466) 6.325 2.223 ( -2.676 -1.721 5.466) 6.325 2.367 ( -2.762 -1.408 -16.882) 17.164 2.367 ( -2.762 -1.408 16.882) 17.164 2.551 ( -0.303 2.595 -8.436) 8.832 2.551 ( -0.303 2.595 8.436) 8.832 2.836 ( -3.116 -1.089 -3.923) 5.127 2.836 ( -3.116 -1.089 3.923) 5.127 3.152 ( 0.356 -0.541 -2.160) 2.255 3.152 ( 0.356 -0.541 2.160) 2.255 3.288 ( -10.365 -0.451 -1.749) 10.521 3.288 ( -10.365 -0.451 1.749) 10.521 3.776 ( 0.775 0.185 -2.915) 3.022 3.776 ( 0.775 0.185 2.915) 3.022 3.918 ( 0.402 -0.779 -1.215) 1.498 3.918 ( 0.402 -0.779 1.215) 1.498 3.976 ( -0.280 -2.325 -2.302) 3.284 3.976 ( -0.280 -2.325 2.302) 3.284 4.081 ( -3.682 -0.885 -0.543) 3.825 4.081 ( -3.682 -0.885 0.543) 3.825 4.582 ( 4.856 1.452 -2.092) 5.483 4.582 ( 4.856 1.452 2.092) 5.483 4.889 ( 6.200 -0.383 -8.050) 10.168 4.889 ( 6.200 -0.383 8.050) 10.168 ======================= Grid point 394 (120/129) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.788 ( -0.000 9.625 -5.073) 10.880 0.788 ( -0.000 9.625 5.073) 10.880 0.927 ( -0.000 5.701 -5.258) 7.755 0.927 ( -0.000 5.701 5.258) 7.755 1.288 ( -0.000 0.519 -0.918) 1.054 1.288 ( -0.000 0.519 0.918) 1.054 1.301 ( -0.000 1.690 -7.457) 7.646 1.301 ( -0.000 1.690 7.457) 7.646 1.507 ( 0.000 -5.475 -2.498) 6.018 1.507 ( 0.000 -5.475 2.498) 6.018 2.098 ( 0.000 -2.786 -7.328) 7.840 2.098 ( 0.000 -2.786 7.328) 7.840 2.192 ( 0.000 -1.117 -5.512) 5.624 2.192 ( 0.000 -1.117 5.512) 5.624 2.361 ( 0.000 -2.718 -19.801) 19.987 2.361 ( 0.000 -2.718 19.801) 19.987 2.533 ( -0.000 3.483 -5.908) 6.858 2.533 ( -0.000 3.483 5.908) 6.858 2.813 ( 0.000 -2.077 -4.097) 4.594 2.813 ( 0.000 -2.077 4.097) 4.594 3.122 ( 0.000 -1.102 -1.071) 1.537 3.122 ( 0.000 -1.102 1.071) 1.537 3.215 ( 0.000 -0.306 -1.340) 1.375 3.215 ( 0.000 -0.306 1.340) 1.375 3.779 ( -0.000 0.889 -3.249) 3.369 3.779 ( -0.000 0.889 3.249) 3.369 3.926 ( 0.000 -0.622 -1.417) 1.548 3.926 ( 0.000 -0.622 1.417) 1.548 4.001 ( 0.000 -3.736 -2.317) 4.396 4.001 ( 0.000 -3.736 2.317) 4.396 4.036 ( -0.000 0.431 -0.191) 0.472 4.036 ( -0.000 0.431 0.191) 0.472 4.620 ( -0.000 1.252 -2.112) 2.456 4.620 ( -0.000 1.252 2.112) 2.456 4.953 ( 0.000 -0.030 -7.946) 7.946 4.953 ( 0.000 -0.030 7.946) 7.946 ======================= Grid point 408 (121/129) ======================= q-point: (-0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.088 ( -4.746 0.000 -0.002) 4.746 1.088 ( -4.746 0.000 0.002) 4.746 1.284 ( -4.488 0.000 -3.440) 5.654 1.284 ( -4.488 0.000 3.440) 5.654 1.363 ( -1.799 0.000 -5.017) 5.330 1.363 ( -1.799 0.000 5.017) 5.330 1.580 ( -5.207 0.000 -0.695) 5.253 1.580 ( -5.207 0.000 0.695) 5.253 1.908 ( -4.545 0.000 -0.174) 4.548 1.908 ( -4.545 0.000 0.174) 4.548 2.218 ( 3.728 -0.000 -6.747) 7.708 2.218 ( 3.728 -0.000 6.747) 7.708 2.389 ( -0.673 0.000 -23.576) 23.586 2.389 ( -0.673 0.000 23.576) 23.586 2.529 ( 6.089 -0.000 -2.059) 6.428 2.529 ( 6.089 -0.000 2.059) 6.428 2.727 ( -12.753 0.000 -3.488) 13.221 2.727 ( -12.753 0.000 3.488) 13.221 2.877 ( 3.230 -0.000 -1.473) 3.550 2.877 ( 3.230 -0.000 1.473) 3.550 3.205 ( -5.990 0.000 -2.910) 6.660 3.205 ( -5.990 0.000 2.910) 6.660 3.637 ( 3.728 -0.000 -1.370) 3.972 3.637 ( 3.728 -0.000 1.370) 3.972 3.746 ( 0.741 -0.000 -0.097) 0.747 3.746 ( 0.741 -0.000 0.097) 0.747 3.831 ( -2.169 0.000 -1.977) 2.935 3.831 ( -2.169 0.000 1.977) 2.935 4.083 ( 6.990 -0.000 -2.659) 7.479 4.083 ( 6.990 -0.000 2.659) 7.479 4.246 ( -2.378 0.000 -1.014) 2.585 4.246 ( -2.378 0.000 1.014) 2.585 4.325 ( -8.071 0.000 -0.245) 8.075 4.325 ( -8.071 0.000 0.245) 8.075 4.557 ( 2.136 -0.000 -6.579) 6.917 4.557 ( 2.136 -0.000 6.579) 6.917 ======================= Grid point 412 (122/129) ======================= q-point: (-0.58 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.013 ( -3.131 -0.935 -0.608) 3.324 1.013 ( -3.131 -0.935 0.608) 3.324 1.196 ( -6.161 -1.124 -4.252) 7.570 1.196 ( -6.161 -1.124 4.252) 7.570 1.331 ( -1.764 0.704 -2.548) 3.178 1.331 ( -1.764 0.704 2.548) 3.178 1.484 ( -3.775 -0.157 -0.926) 3.890 1.484 ( -3.775 -0.157 0.926) 3.890 1.854 ( -1.606 0.356 -2.116) 2.680 1.854 ( -1.606 0.356 2.116) 2.680 2.159 ( -12.203 -0.841 -5.232) 13.304 2.159 ( -12.203 -0.841 5.232) 13.304 2.329 ( -3.061 0.153 -20.252) 20.483 2.329 ( -3.061 0.153 20.252) 20.483 2.569 ( -0.927 2.846 -2.599) 3.964 2.569 ( -0.927 2.846 2.599) 3.964 2.615 ( -0.892 -1.566 -7.062) 7.288 2.615 ( -0.892 -1.566 7.062) 7.288 2.909 ( -0.093 -0.218 -2.832) 2.841 2.909 ( -0.093 -0.218 2.832) 2.841 3.115 ( -2.513 0.266 -3.871) 4.623 3.115 ( -2.513 0.266 3.871) 4.623 3.654 ( -2.834 0.506 -0.914) 3.020 3.654 ( -2.834 0.506 0.914) 3.020 3.746 ( -0.117 0.064 -0.509) 0.526 3.746 ( -0.117 0.064 0.509) 0.526 3.837 ( 2.004 -0.514 -0.670) 2.174 3.837 ( 2.004 -0.514 0.670) 2.174 4.139 ( -9.059 0.298 -0.387) 9.072 4.139 ( -9.059 0.298 0.387) 9.072 4.197 ( -2.172 0.906 -0.363) 2.381 4.197 ( -2.172 0.906 0.363) 2.381 4.267 ( 9.344 -1.953 -1.735) 9.702 4.267 ( 9.344 -1.953 1.735) 9.702 4.619 ( 4.491 -0.636 -7.925) 9.131 4.619 ( 4.491 -0.636 7.925) 9.131 ======================= Grid point 414 (123/129) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.968 ( -2.477 4.310 -2.860) 5.735 0.968 ( -2.477 4.310 2.860) 5.735 1.087 ( -4.055 -4.529 -0.061) 6.079 1.087 ( -4.055 -4.529 0.061) 6.079 1.284 ( -1.992 5.161 -3.059) 6.322 1.284 ( -1.992 5.161 3.059) 6.322 1.460 ( -0.482 -2.560 -1.127) 2.838 1.460 ( -0.482 -2.560 1.127) 2.838 1.729 ( -14.226 -1.060 -3.538) 14.698 1.729 ( -14.226 -1.060 3.538) 14.698 1.993 ( -1.794 -3.552 -2.518) 4.709 1.993 ( -1.794 -3.552 2.518) 4.709 2.285 ( -2.446 1.202 -14.624) 14.876 2.285 ( -2.446 1.202 14.624) 14.876 2.476 ( -7.103 1.792 -4.720) 8.715 2.476 ( -7.103 1.792 4.720) 8.715 2.596 ( -1.021 1.288 -9.598) 9.738 2.596 ( -1.021 1.288 9.598) 9.738 2.884 ( -2.826 -0.809 -3.846) 4.841 2.884 ( -2.826 -0.809 3.846) 4.841 3.117 ( 1.972 -0.088 -3.398) 3.930 3.117 ( 1.972 -0.088 3.398) 3.930 3.514 ( -11.580 0.326 -2.316) 11.813 3.514 ( -11.580 0.326 2.316) 11.813 3.755 ( 1.047 -0.072 -1.702) 1.999 3.755 ( 1.047 -0.072 1.702) 1.999 3.879 ( 1.798 -0.815 -0.184) 1.982 3.879 ( 1.798 -0.815 0.184) 1.982 3.997 ( -5.266 -1.048 -0.850) 5.436 3.997 ( -5.266 -1.048 0.850) 5.436 4.136 ( -3.623 -0.537 -0.399) 3.685 4.136 ( -3.623 -0.537 0.399) 3.685 4.466 ( 9.634 0.496 -0.762) 9.677 4.466 ( 9.634 0.496 0.762) 9.677 4.738 ( 7.792 -0.686 -9.035) 11.951 4.738 ( 7.792 -0.686 9.035) 11.951 ======================= Grid point 416 (124/129) ======================= q-point: (-0.42 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.887 ( -0.198 6.389 -0.796) 6.441 0.887 ( -0.198 6.389 0.796) 6.441 1.120 ( -0.823 -1.982 -2.657) 3.416 1.120 ( -0.823 -1.982 2.657) 3.416 1.176 ( -1.875 6.151 -1.790) 6.675 1.176 ( -1.875 6.151 1.790) 6.675 1.443 ( -5.173 -2.938 -0.578) 5.977 1.443 ( -5.173 -2.938 0.578) 5.977 1.501 ( -7.356 -2.357 -4.166) 8.776 1.501 ( -7.356 -2.357 4.166) 8.776 2.038 ( 2.904 -1.695 -7.571) 8.284 2.038 ( 2.904 -1.695 7.571) 8.284 2.218 ( -3.454 1.040 -7.055) 7.923 2.218 ( -3.454 1.040 7.055) 7.923 2.348 ( -5.182 -1.852 -13.062) 14.174 2.348 ( -5.182 -1.852 13.062) 14.174 2.576 ( -0.014 1.772 -10.775) 10.920 2.576 ( -0.014 1.772 10.775) 10.920 2.823 ( -3.719 -1.243 -3.978) 5.586 2.823 ( -3.719 -1.243 3.978) 5.586 3.148 ( -0.120 -0.203 -2.574) 2.585 3.148 ( -0.120 -0.203 2.574) 2.585 3.285 ( -9.975 -0.165 -1.175) 10.045 3.285 ( -9.975 -0.165 1.175) 10.045 3.777 ( 1.063 0.053 -2.674) 2.879 3.777 ( 1.063 0.053 2.674) 2.879 3.908 ( 0.779 -0.788 -1.010) 1.499 3.908 ( 0.779 -0.788 1.010) 1.499 3.952 ( -0.920 -1.734 -1.858) 2.703 3.952 ( -0.920 -1.734 1.858) 2.703 4.075 ( -3.014 -0.280 -0.262) 3.038 4.075 ( -3.014 -0.280 0.262) 3.038 4.596 ( 4.717 0.962 -2.607) 5.475 4.596 ( 4.717 0.962 2.607) 5.475 4.887 ( 6.769 -0.024 -9.074) 11.320 4.887 ( 6.769 -0.024 9.074) 11.320 ======================= Grid point 418 (125/129) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.896 ( -0.000 9.260 -3.469) 9.888 0.896 ( -0.000 9.260 3.469) 9.888 0.977 ( -0.000 2.984 -2.649) 3.990 0.977 ( -0.000 2.984 2.649) 3.990 1.291 ( 0.000 -3.485 -4.225) 5.477 1.291 ( 0.000 -3.485 4.225) 5.477 1.305 ( -0.000 2.375 -1.675) 2.906 1.305 ( -0.000 2.375 1.675) 2.906 1.466 ( 0.000 -1.722 -2.502) 3.037 1.466 ( 0.000 -1.722 2.502) 3.037 2.079 ( 0.000 -0.271 -9.970) 9.974 2.079 ( 0.000 -0.271 9.970) 9.974 2.178 ( 0.000 -1.324 -5.168) 5.335 2.178 ( 0.000 -1.324 5.168) 5.335 2.321 ( 0.000 -4.113 -16.337) 16.846 2.321 ( 0.000 -4.113 16.337) 16.846 2.568 ( -0.000 2.564 -10.091) 10.411 2.568 ( -0.000 2.564 10.091) 10.411 2.790 ( 0.000 -1.886 -3.950) 4.377 2.790 ( 0.000 -1.886 3.950) 4.377 3.110 ( 0.000 -0.925 -0.972) 1.341 3.110 ( 0.000 -0.925 0.972) 1.341 3.217 ( -0.000 0.495 -1.300) 1.391 3.217 ( -0.000 0.495 1.300) 1.391 3.787 ( -0.000 0.400 -3.121) 3.147 3.787 ( -0.000 0.400 3.121) 3.147 3.919 ( 0.000 -0.600 -1.509) 1.624 3.919 ( 0.000 -0.600 1.509) 1.624 3.962 ( 0.000 -2.942 -2.525) 3.877 3.962 ( 0.000 -2.942 2.525) 3.877 4.041 ( -0.000 0.374 -0.103) 0.387 4.041 ( -0.000 0.374 0.103) 0.387 4.634 ( -0.000 1.111 -3.272) 3.456 4.634 ( -0.000 1.111 3.272) 3.456 4.954 ( -0.000 0.253 -9.020) 9.024 4.954 ( -0.000 0.253 9.020) 9.024 ======================= Grid point 436 (126/129) ======================= q-point: (-0.58 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.004 ( 1.975 -0.000 -1.220) 2.322 1.004 ( 1.975 -0.000 1.220) 2.322 1.050 ( -7.377 0.000 -1.644) 7.558 1.050 ( -7.377 0.000 1.644) 7.558 1.319 ( -0.594 0.000 -1.830) 1.924 1.319 ( -0.594 0.000 1.830) 1.924 1.441 ( -1.169 0.000 -1.085) 1.595 1.441 ( -1.169 0.000 1.085) 1.595 1.723 ( -15.580 0.000 -4.305) 16.164 1.723 ( -15.580 0.000 4.305) 16.164 1.971 ( -1.247 0.000 -2.341) 2.652 1.971 ( -1.247 0.000 2.341) 2.652 2.292 ( -2.126 0.000 -15.053) 15.202 2.292 ( -2.126 0.000 15.053) 15.202 2.487 ( -7.855 0.000 -0.019) 7.855 2.487 ( -7.855 0.000 0.019) 7.855 2.604 ( -0.953 0.000 -9.180) 9.230 2.604 ( -0.953 0.000 9.180) 9.230 2.878 ( -2.916 0.000 -3.975) 4.930 2.878 ( -2.916 0.000 3.975) 4.930 3.116 ( 2.007 -0.000 -3.542) 4.071 3.116 ( 2.007 -0.000 3.542) 4.071 3.516 ( -11.903 0.000 -2.192) 12.103 3.516 ( -11.903 0.000 2.192) 12.103 3.755 ( 1.058 -0.000 -1.643) 1.954 3.755 ( 1.058 -0.000 1.643) 1.954 3.875 ( 1.823 -0.000 -0.029) 1.823 3.875 ( 1.823 -0.000 0.029) 1.823 3.991 ( -5.321 0.000 -0.814) 5.383 3.991 ( -5.321 0.000 0.814) 5.383 4.133 ( -3.567 0.000 -0.406) 3.590 4.133 ( -3.567 0.000 0.406) 3.590 4.469 ( 9.839 -0.000 -0.099) 9.839 4.469 ( 9.839 -0.000 0.099) 9.839 4.734 ( 8.047 -0.000 -9.338) 12.327 4.734 ( 8.047 -0.000 9.338) 12.327 ======================= Grid point 440 (127/129) ======================= q-point: (-0.50 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.943 ( -0.991 2.876 -2.226) 3.769 0.943 ( -0.991 2.876 2.226) 3.769 1.094 ( 4.458 -1.583 -0.942) 4.824 1.094 ( 4.458 -1.583 0.942) 4.824 1.241 ( -7.634 3.898 -5.090) 9.968 1.241 ( -7.634 3.898 5.090) 9.968 1.406 ( -4.749 -2.634 -1.606) 5.663 1.406 ( -4.749 -2.634 1.606) 5.663 1.485 ( -5.133 -0.655 -6.212) 8.085 1.485 ( -5.133 -0.655 6.212) 8.085 2.020 ( 4.339 -1.091 -7.175) 8.456 2.020 ( 4.339 -1.091 7.175) 8.456 2.238 ( -3.424 1.661 -6.309) 7.368 2.238 ( -3.424 1.661 6.309) 7.368 2.328 ( -7.887 -1.435 -6.740) 10.473 2.328 ( -7.887 -1.435 6.740) 10.473 2.590 ( -0.018 0.609 -11.920) 11.936 2.590 ( -0.018 0.609 11.920) 11.936 2.811 ( -3.833 -0.582 -4.096) 5.640 2.811 ( -3.833 -0.582 4.096) 5.640 3.147 ( -0.473 -0.028 -2.902) 2.941 3.147 ( -0.473 -0.028 2.902) 2.941 3.284 ( -9.529 -0.015 -0.930) 9.574 3.284 ( -9.529 -0.015 0.930) 9.574 3.778 ( 1.130 -0.000 -2.458) 2.706 3.778 ( 1.130 -0.000 2.458) 2.706 3.901 ( 0.928 -0.375 -0.438) 1.092 3.901 ( 0.928 -0.375 0.438) 1.092 3.939 ( -1.130 -0.578 -0.982) 1.605 3.939 ( -1.130 -0.578 0.982) 1.605 4.073 ( -2.702 -0.056 -0.143) 2.706 4.073 ( -2.702 -0.056 0.143) 2.706 4.603 ( 4.706 0.335 -2.478) 5.329 4.603 ( 4.706 0.335 2.478) 5.329 4.888 ( 7.047 0.037 -9.473) 11.806 4.888 ( 7.047 0.037 9.473) 11.806 ======================= Grid point 442 (128/129) ======================= q-point: (-0.42 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 0.992 ( -0.000 7.383 -4.276) 8.532 0.992 ( -0.000 7.383 4.276) 8.532 0.997 ( -0.000 0.826 -5.866) 5.924 0.997 ( -0.000 0.826 5.866) 5.924 1.236 ( 0.000 -5.361 -3.357) 6.325 1.236 ( 0.000 -5.361 3.357) 6.325 1.334 ( -0.000 2.335 -2.933) 3.749 1.334 ( -0.000 2.335 2.933) 3.749 1.457 ( 0.000 -0.331 -4.253) 4.266 1.457 ( 0.000 -0.331 4.253) 4.266 2.092 ( -0.000 2.113 -10.147) 10.365 2.092 ( -0.000 2.113 10.147) 10.365 2.164 ( 0.000 -0.971 -4.983) 5.077 2.164 ( 0.000 -0.971 4.983) 5.077 2.272 ( 0.000 -4.154 -13.442) 14.069 2.272 ( 0.000 -4.154 13.442) 14.069 2.589 ( -0.000 1.230 -12.674) 12.733 2.589 ( -0.000 1.230 12.674) 12.733 2.773 ( 0.000 -1.121 -3.785) 3.948 2.773 ( 0.000 -1.121 3.785) 3.948 3.102 ( 0.000 -0.522 -0.900) 1.041 3.102 ( 0.000 -0.522 0.900) 1.041 3.224 ( -0.000 0.607 -1.580) 1.693 3.224 ( -0.000 0.607 1.580) 1.693 3.789 ( -0.000 0.079 -2.839) 2.840 3.789 ( -0.000 0.079 2.839) 2.840 3.913 ( 0.000 -0.510 -1.242) 1.343 3.913 ( 0.000 -0.510 1.242) 1.343 3.937 ( 0.000 -1.466 -1.869) 2.375 3.937 ( 0.000 -1.466 1.869) 2.375 4.044 ( -0.000 0.216 -0.031) 0.218 4.044 ( -0.000 0.216 0.031) 0.218 4.644 ( -0.000 0.655 -3.468) 3.529 4.644 ( -0.000 0.655 3.468) 3.529 4.957 ( -0.000 0.237 -9.507) 9.510 4.957 ( -0.000 0.237 9.507) 9.510 ======================= Grid point 466 (129/129) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 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| 1.001 ( -0.000 0.000 -7.139) 7.139 1.001 ( -0.000 0.000 7.139) 7.139 1.042 ( -0.000 0.000 -5.638) 5.638 1.042 ( -0.000 0.000 5.638) 5.638 1.197 ( -0.000 0.000 -1.939) 1.939 1.197 ( -0.000 0.000 1.939) 1.939 1.348 ( -0.000 0.000 -3.212) 3.212 1.348 ( -0.000 0.000 3.212) 3.212 1.455 ( -0.000 0.000 -5.268) 5.268 1.455 ( -0.000 0.000 5.268) 5.268 2.109 ( -0.000 0.000 -9.633) 9.633 2.109 ( -0.000 0.000 9.633) 9.633 2.158 ( -0.000 0.000 -4.929) 4.929 2.158 ( -0.000 0.000 4.929) 4.929 2.244 ( -0.000 0.000 -12.259) 12.259 2.244 ( -0.000 0.000 12.259) 12.259 2.596 ( -0.000 0.000 -13.590) 13.590 2.596 ( -0.000 0.000 13.590) 13.590 2.766 ( -0.000 0.000 -3.712) 3.712 2.766 ( -0.000 0.000 3.712) 3.712 3.099 ( -0.000 0.000 -0.874) 0.874 3.099 ( -0.000 0.000 0.874) 0.874 3.227 ( -0.000 0.000 -1.784) 1.784 3.227 ( -0.000 0.000 1.784) 1.784 3.789 ( 0.000 -0.000 -2.686) 2.686 3.789 ( -0.000 0.000 2.686) 2.686 3.909 ( -0.000 0.000 -0.515) 0.515 3.909 ( -0.000 0.000 0.515) 0.515 3.929 ( -0.000 0.000 -0.797) 0.797 3.929 ( -0.000 0.000 0.797) 0.797 4.046 ( -0.000 0.000 -0.001) 0.001 4.046 ( -0.000 0.000 0.001) 0.001 4.648 ( 0.000 -0.000 -3.375) 3.375 4.648 ( -0.000 0.000 3.375) 3.375 4.959 ( -0.000 0.000 -9.619) 9.619 4.959 ( -0.000 0.000 9.619) 9.619 =================== 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 10.0 120.521 133.592 26.309 0.000 0.000 -0.000 3/20736 20.0 38.286 27.314 12.334 0.000 0.000 -0.000 3/20736 30.0 19.819 12.526 8.233 0.000 0.000 -0.000 3/20736 40.0 12.915 7.695 6.112 0.000 0.000 -0.000 3/20736 50.0 9.564 5.487 4.860 0.000 0.000 -0.000 3/20736 60.0 7.628 4.261 4.043 0.000 0.000 -0.000 3/20736 70.0 6.371 3.491 3.468 0.000 0.000 -0.000 3/20736 80.0 5.485 2.962 3.040 0.000 0.000 -0.000 3/20736 90.0 4.824 2.578 2.709 0.000 0.000 -0.000 3/20736 100.0 4.311 2.284 2.443 0.000 0.000 -0.000 3/20736 110.0 3.900 2.053 2.226 0.000 0.000 -0.000 3/20736 120.0 3.563 1.865 2.044 0.000 0.000 -0.000 3/20736 130.0 3.280 1.710 1.890 0.000 0.000 -0.000 3/20736 140.0 3.040 1.580 1.758 0.000 0.000 -0.000 3/20736 150.0 2.834 1.468 1.643 0.000 0.000 -0.000 3/20736 160.0 2.654 1.371 1.542 0.000 0.000 -0.000 3/20736 170.0 2.495 1.287 1.453 0.000 0.000 -0.000 3/20736 180.0 2.355 1.212 1.374 0.000 0.000 -0.000 3/20736 190.0 2.230 1.146 1.302 0.000 0.000 -0.000 3/20736 200.0 2.118 1.087 1.238 0.000 0.000 -0.000 3/20736 210.0 2.016 1.034 1.180 0.000 0.000 -0.000 3/20736 220.0 1.924 0.985 1.127 0.000 0.000 -0.000 3/20736 230.0 1.840 0.942 1.079 0.000 0.000 -0.000 3/20736 240.0 1.763 0.901 1.035 0.000 0.000 -0.000 3/20736 250.0 1.692 0.865 0.994 0.000 0.000 -0.000 3/20736 260.0 1.627 0.831 0.956 0.000 0.000 -0.000 3/20736 270.0 1.567 0.800 0.921 0.000 0.000 -0.000 3/20736 280.0 1.511 0.771 0.888 0.000 0.000 -0.000 3/20736 290.0 1.459 0.744 0.858 0.000 0.000 -0.000 3/20736 300.0 1.410 0.718 0.830 0.000 0.000 -0.000 3/20736 310.0 1.364 0.695 0.803 0.000 0.000 -0.000 3/20736 320.0 1.322 0.673 0.778 0.000 0.000 -0.000 3/20736 330.0 1.282 0.652 0.755 0.000 0.000 -0.000 3/20736 340.0 1.244 0.633 0.733 0.000 0.000 -0.000 3/20736 350.0 1.209 0.615 0.712 0.000 0.000 -0.000 3/20736 360.0 1.175 0.598 0.693 0.000 0.000 -0.000 3/20736 370.0 1.143 0.581 0.674 0.000 0.000 -0.000 3/20736 380.0 1.113 0.566 0.656 0.000 0.000 -0.000 3/20736 390.0 1.085 0.551 0.640 0.000 0.000 -0.000 3/20736 400.0 1.058 0.537 0.624 0.000 0.000 -0.000 3/20736 410.0 1.032 0.524 0.609 0.000 0.000 -0.000 3/20736 420.0 1.007 0.512 0.594 0.000 0.000 -0.000 3/20736 430.0 0.984 0.500 0.581 0.000 0.000 -0.000 3/20736 440.0 0.962 0.488 0.568 0.000 0.000 -0.000 3/20736 450.0 0.940 0.477 0.555 0.000 0.000 -0.000 3/20736 460.0 0.920 0.467 0.543 0.000 0.000 -0.000 3/20736 470.0 0.900 0.457 0.532 0.000 0.000 -0.000 3/20736 480.0 0.881 0.447 0.521 0.000 0.000 -0.000 3/20736 490.0 0.864 0.438 0.510 0.000 0.000 -0.000 3/20736 500.0 0.846 0.429 0.500 0.000 0.000 -0.000 3/20736 510.0 0.830 0.421 0.490 0.000 0.000 -0.000 3/20736 520.0 0.814 0.413 0.481 0.000 0.000 -0.000 3/20736 530.0 0.798 0.405 0.472 0.000 0.000 -0.000 3/20736 540.0 0.784 0.397 0.463 0.000 0.000 -0.000 3/20736 550.0 0.769 0.390 0.455 0.000 0.000 -0.000 3/20736 560.0 0.756 0.383 0.447 0.000 0.000 -0.000 3/20736 570.0 0.742 0.376 0.439 0.000 0.000 -0.000 3/20736 580.0 0.730 0.370 0.431 0.000 0.000 -0.000 3/20736 590.0 0.717 0.364 0.424 0.000 0.000 -0.000 3/20736 600.0 0.705 0.358 0.417 0.000 0.000 -0.000 3/20736 610.0 0.694 0.352 0.410 0.000 0.000 -0.000 3/20736 620.0 0.683 0.346 0.404 0.000 0.000 -0.000 3/20736 630.0 0.672 0.340 0.397 0.000 0.000 -0.000 3/20736 640.0 0.661 0.335 0.391 0.000 0.000 -0.000 3/20736 650.0 0.651 0.330 0.385 0.000 0.000 -0.000 3/20736 660.0 0.641 0.325 0.379 0.000 0.000 -0.000 3/20736 670.0 0.632 0.320 0.374 0.000 0.000 -0.000 3/20736 680.0 0.623 0.315 0.368 0.000 0.000 -0.000 3/20736 690.0 0.614 0.311 0.363 0.000 0.000 -0.000 3/20736 700.0 0.605 0.306 0.358 0.000 0.000 -0.000 3/20736 710.0 0.596 0.302 0.353 0.000 0.000 -0.000 3/20736 720.0 0.588 0.298 0.348 0.000 0.000 -0.000 3/20736 730.0 0.580 0.294 0.343 0.000 0.000 -0.000 3/20736 740.0 0.572 0.290 0.338 0.000 0.000 -0.000 3/20736 750.0 0.565 0.286 0.334 0.000 0.000 -0.000 3/20736 760.0 0.557 0.282 0.330 0.000 0.000 -0.000 3/20736 770.0 0.550 0.278 0.325 0.000 0.000 -0.000 3/20736 780.0 0.543 0.275 0.321 0.000 0.000 -0.000 3/20736 790.0 0.536 0.271 0.317 0.000 0.000 -0.000 3/20736 800.0 0.529 0.268 0.313 0.000 0.000 -0.000 3/20736 810.0 0.523 0.265 0.309 0.000 0.000 -0.000 3/20736 820.0 0.516 0.261 0.305 0.000 0.000 -0.000 3/20736 830.0 0.510 0.258 0.302 0.000 0.000 -0.000 3/20736 840.0 0.504 0.255 0.298 0.000 0.000 -0.000 3/20736 850.0 0.498 0.252 0.295 0.000 0.000 -0.000 3/20736 860.0 0.492 0.249 0.291 0.000 0.000 -0.000 3/20736 870.0 0.487 0.246 0.288 0.000 0.000 -0.000 3/20736 880.0 0.481 0.244 0.285 0.000 0.000 -0.000 3/20736 890.0 0.476 0.241 0.282 0.000 0.000 -0.000 3/20736 900.0 0.471 0.238 0.278 0.000 0.000 -0.000 3/20736 910.0 0.465 0.236 0.275 0.000 0.000 -0.000 3/20736 920.0 0.460 0.233 0.272 0.000 0.000 -0.000 3/20736 930.0 0.455 0.231 0.269 0.000 0.000 -0.000 3/20736 940.0 0.451 0.228 0.267 0.000 0.000 -0.000 3/20736 950.0 0.446 0.226 0.264 0.000 0.000 -0.000 3/20736 960.0 0.441 0.223 0.261 0.000 0.000 -0.000 3/20736 970.0 0.437 0.221 0.258 0.000 0.000 -0.000 3/20736 980.0 0.432 0.219 0.256 0.000 0.000 -0.000 3/20736 990.0 0.428 0.217 0.253 0.000 0.000 -0.000 3/20736 1000.0 0.424 0.214 0.251 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 23:43:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|