----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:51:48]------------------------- Compiled with OpenMP support (max 32 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 2.109917760000000 -7.907350669999999 0.000000000000000 b 2.109917760000000 7.907350669999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.967899139999998 Atomic positions (fractional): *1 Se 0.06261019803076 0.93738980196924 0.25000000000000 78.960 2 Se 0.93738980196924 0.06261019803076 0.75000000000000 78.960 *3 Se 0.62020419343463 0.37979580656537 0.54446123976155 78.960 4 Se 0.62020419343463 0.37979580656537 0.95553876023845 78.960 5 Se 0.37979580656537 0.62020419343463 0.04446123976155 78.960 6 Se 0.37979580656537 0.62020419343463 0.45553876023845 78.960 *7 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 8 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 *9 Cd 0.46021557058465 0.53978442941535 0.25000000000000 112.411 10 Cd 0.53978442941535 0.46021557058465 0.75000000000000 112.411 *11 Cs 0.74525486453861 0.25474513546139 0.25000000000000 132.905 12 Cs 0.25474513546139 0.74525486453861 0.75000000000000 132.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.219835520000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.814701339999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.967899139999998 Atomic positions (fractional): *1 Se 0.50000000000000 0.43738980196924 0.25000000000000 78.960 > 1 2 Se 0.00000000000000 0.06261019803076 0.75000000000000 78.960 > 2 *3 Se 0.00000000000000 0.37979580656537 0.54446123976155 78.960 > 3 4 Se 0.00000000000000 0.37979580656537 0.95553876023845 78.960 > 4 5 Se 0.50000000000000 0.12020419343463 0.04446123976155 78.960 > 5 6 Se 0.50000000000000 0.12020419343463 0.45553876023845 78.960 > 6 7 Se 0.00000000000000 0.93738980196924 0.25000000000000 78.960 > 1 8 Se 0.50000000000000 0.56261019803076 0.75000000000000 78.960 > 2 9 Se 0.50000000000000 0.87979580656537 0.54446123976155 78.960 > 3 10 Se 0.50000000000000 0.87979580656537 0.95553876023845 78.960 > 4 11 Se 0.00000000000000 0.62020419343463 0.04446123976155 78.960 > 5 12 Se 0.00000000000000 0.62020419343463 0.45553876023845 78.960 > 6 *13 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 7 14 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 8 15 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 7 16 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 8 *17 Cd 0.50000000000000 0.03978442941535 0.25000000000000 112.411 > 9 18 Cd 0.00000000000000 0.46021557058465 0.75000000000000 112.411 > 10 19 Cd 0.00000000000000 0.53978442941535 0.25000000000000 112.411 > 9 20 Cd 0.50000000000000 0.96021557058465 0.75000000000000 112.411 > 10 *21 Cs 0.00000000000000 0.25474513546139 0.25000000000000 132.905 > 11 22 Cs 0.50000000000000 0.24525486453861 0.75000000000000 132.905 > 12 23 Cs 0.50000000000000 0.75474513546139 0.25000000000000 132.905 > 11 24 Cs 0.00000000000000 0.74525486453861 0.75000000000000 132.905 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.659506560000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.814701339999997 0.000000000000000 c 0.000000000000000 0.000000000000000 21.935798279999997 Atomic positions (fractional): *1 Se 0.16666666666667 0.43738980196924 0.12500000000000 78.960 > 1 2 Se 0.50000000000000 0.43738980196924 0.12500000000000 78.960 > 1 3 Se 0.83333333333333 0.43738980196924 0.12500000000000 78.960 > 1 4 Se 0.16666666666667 0.43738980196924 0.62500000000000 78.960 > 1 5 Se 0.50000000000000 0.43738980196924 0.62500000000000 78.960 > 1 6 Se 0.83333333333333 0.43738980196924 0.62500000000000 78.960 > 1 7 Se 0.00000000000000 0.06261019803076 0.37500000000000 78.960 > 2 8 Se 0.33333333333333 0.06261019803076 0.37500000000000 78.960 > 2 9 Se 0.66666666666667 0.06261019803076 0.37500000000000 78.960 > 2 10 Se 0.00000000000000 0.06261019803076 0.87500000000000 78.960 > 2 11 Se 0.33333333333333 0.06261019803076 0.87500000000000 78.960 > 2 12 Se 0.66666666666667 0.06261019803076 0.87500000000000 78.960 > 2 *13 Se 0.00000000000000 0.37979580656537 0.27223061988077 78.960 > 3 14 Se 0.33333333333333 0.37979580656537 0.27223061988077 78.960 > 3 15 Se 0.66666666666667 0.37979580656537 0.27223061988077 78.960 > 3 16 Se 0.00000000000000 0.37979580656537 0.77223061988077 78.960 > 3 17 Se 0.33333333333333 0.37979580656537 0.77223061988077 78.960 > 3 18 Se 0.66666666666667 0.37979580656537 0.77223061988077 78.960 > 3 19 Se 0.00000000000000 0.37979580656537 0.47776938011923 78.960 > 4 20 Se 0.33333333333333 0.37979580656537 0.47776938011923 78.960 > 4 21 Se 0.66666666666667 0.37979580656537 0.47776938011923 78.960 > 4 22 Se 0.00000000000000 0.37979580656537 0.97776938011923 78.960 > 4 23 Se 0.33333333333333 0.37979580656537 0.97776938011923 78.960 > 4 24 Se 0.66666666666667 0.37979580656537 0.97776938011923 78.960 > 4 25 Se 0.16666666666667 0.12020419343463 0.02223061988077 78.960 > 5 26 Se 0.50000000000000 0.12020419343463 0.02223061988077 78.960 > 5 27 Se 0.83333333333333 0.12020419343463 0.02223061988077 78.960 > 5 28 Se 0.16666666666667 0.12020419343463 0.52223061988077 78.960 > 5 29 Se 0.50000000000000 0.12020419343463 0.52223061988077 78.960 > 5 30 Se 0.83333333333333 0.12020419343463 0.52223061988077 78.960 > 5 31 Se 0.16666666666667 0.12020419343463 0.22776938011923 78.960 > 6 32 Se 0.50000000000000 0.12020419343463 0.22776938011923 78.960 > 6 33 Se 0.83333333333333 0.12020419343463 0.22776938011923 78.960 > 6 34 Se 0.16666666666667 0.12020419343463 0.72776938011923 78.960 > 6 35 Se 0.50000000000000 0.12020419343463 0.72776938011923 78.960 > 6 36 Se 0.83333333333333 0.12020419343463 0.72776938011923 78.960 > 6 37 Se 0.00000000000000 0.93738980196924 0.12500000000000 78.960 > 1 38 Se 0.33333333333333 0.93738980196924 0.12500000000000 78.960 > 1 39 Se 0.66666666666667 0.93738980196924 0.12500000000000 78.960 > 1 40 Se 0.00000000000000 0.93738980196924 0.62500000000000 78.960 > 1 41 Se 0.33333333333333 0.93738980196924 0.62500000000000 78.960 > 1 42 Se 0.66666666666667 0.93738980196924 0.62500000000000 78.960 > 1 43 Se 0.16666666666667 0.56261019803076 0.37500000000000 78.960 > 2 44 Se 0.50000000000000 0.56261019803076 0.37500000000000 78.960 > 2 45 Se 0.83333333333333 0.56261019803076 0.37500000000000 78.960 > 2 46 Se 0.16666666666667 0.56261019803076 0.87500000000000 78.960 > 2 47 Se 0.50000000000000 0.56261019803076 0.87500000000000 78.960 > 2 48 Se 0.83333333333333 0.56261019803076 0.87500000000000 78.960 > 2 49 Se 0.16666666666667 0.87979580656537 0.27223061988077 78.960 > 3 50 Se 0.50000000000000 0.87979580656537 0.27223061988077 78.960 > 3 51 Se 0.83333333333333 0.87979580656537 0.27223061988077 78.960 > 3 52 Se 0.16666666666667 0.87979580656537 0.77223061988077 78.960 > 3 53 Se 0.50000000000000 0.87979580656537 0.77223061988077 78.960 > 3 54 Se 0.83333333333333 0.87979580656537 0.77223061988077 78.960 > 3 55 Se 0.16666666666667 0.87979580656537 0.47776938011923 78.960 > 4 56 Se 0.50000000000000 0.87979580656537 0.47776938011923 78.960 > 4 57 Se 0.83333333333333 0.87979580656537 0.47776938011923 78.960 > 4 58 Se 0.16666666666667 0.87979580656537 0.97776938011923 78.960 > 4 59 Se 0.50000000000000 0.87979580656537 0.97776938011923 78.960 > 4 60 Se 0.83333333333333 0.87979580656537 0.97776938011923 78.960 > 4 61 Se 0.00000000000000 0.62020419343463 0.02223061988077 78.960 > 5 62 Se 0.33333333333333 0.62020419343463 0.02223061988077 78.960 > 5 63 Se 0.66666666666667 0.62020419343463 0.02223061988077 78.960 > 5 64 Se 0.00000000000000 0.62020419343463 0.52223061988077 78.960 > 5 65 Se 0.33333333333333 0.62020419343463 0.52223061988077 78.960 > 5 66 Se 0.66666666666667 0.62020419343463 0.52223061988077 78.960 > 5 67 Se 0.00000000000000 0.62020419343463 0.22776938011923 78.960 > 6 68 Se 0.33333333333333 0.62020419343463 0.22776938011923 78.960 > 6 69 Se 0.66666666666667 0.62020419343463 0.22776938011923 78.960 > 6 70 Se 0.00000000000000 0.62020419343463 0.72776938011923 78.960 > 6 71 Se 0.33333333333333 0.62020419343463 0.72776938011923 78.960 > 6 72 Se 0.66666666666667 0.62020419343463 0.72776938011923 78.960 > 6 *73 Y 0.00000000000000 0.00000000000000 0.25000000000000 88.906 > 7 74 Y 0.33333333333333 0.00000000000000 0.25000000000000 88.906 > 7 75 Y 0.66666666666667 0.00000000000000 0.25000000000000 88.906 > 7 76 Y 0.00000000000000 0.00000000000000 0.75000000000000 88.906 > 7 77 Y 0.33333333333333 0.00000000000000 0.75000000000000 88.906 > 7 78 Y 0.66666666666667 0.00000000000000 0.75000000000000 88.906 > 7 79 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 8 80 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 8 81 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 8 82 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 8 83 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 8 84 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 8 85 Y 0.16666666666667 0.50000000000000 0.25000000000000 88.906 > 7 86 Y 0.50000000000000 0.50000000000000 0.25000000000000 88.906 > 7 87 Y 0.83333333333333 0.50000000000000 0.25000000000000 88.906 > 7 88 Y 0.16666666666667 0.50000000000000 0.75000000000000 88.906 > 7 89 Y 0.50000000000000 0.50000000000000 0.75000000000000 88.906 > 7 90 Y 0.83333333333333 0.50000000000000 0.75000000000000 88.906 > 7 91 Y 0.16666666666667 0.50000000000000 0.00000000000000 88.906 > 8 92 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 8 93 Y 0.83333333333333 0.50000000000000 0.00000000000000 88.906 > 8 94 Y 0.16666666666667 0.50000000000000 0.50000000000000 88.906 > 8 95 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 8 96 Y 0.83333333333333 0.50000000000000 0.50000000000000 88.906 > 8 *97 Cd 0.16666666666667 0.03978442941535 0.12500000000000 112.411 > 9 98 Cd 0.50000000000000 0.03978442941535 0.12500000000000 112.411 > 9 99 Cd 0.83333333333333 0.03978442941535 0.12500000000000 112.411 > 9 100 Cd 0.16666666666667 0.03978442941535 0.62500000000000 112.411 > 9 101 Cd 0.50000000000000 0.03978442941535 0.62500000000000 112.411 > 9 102 Cd 0.83333333333333 0.03978442941535 0.62500000000000 112.411 > 9 103 Cd 0.00000000000000 0.46021557058465 0.37500000000000 112.411 > 10 104 Cd 0.33333333333333 0.46021557058465 0.37500000000000 112.411 > 10 105 Cd 0.66666666666667 0.46021557058465 0.37500000000000 112.411 > 10 106 Cd 0.00000000000000 0.46021557058465 0.87500000000000 112.411 > 10 107 Cd 0.33333333333333 0.46021557058465 0.87500000000000 112.411 > 10 108 Cd 0.66666666666667 0.46021557058465 0.87500000000000 112.411 > 10 109 Cd 0.00000000000000 0.53978442941535 0.12500000000000 112.411 > 9 110 Cd 0.33333333333333 0.53978442941535 0.12500000000000 112.411 > 9 111 Cd 0.66666666666667 0.53978442941535 0.12500000000000 112.411 > 9 112 Cd 0.00000000000000 0.53978442941535 0.62500000000000 112.411 > 9 113 Cd 0.33333333333333 0.53978442941535 0.62500000000000 112.411 > 9 114 Cd 0.66666666666667 0.53978442941535 0.62500000000000 112.411 > 9 115 Cd 0.16666666666667 0.96021557058465 0.37500000000000 112.411 > 10 116 Cd 0.50000000000000 0.96021557058465 0.37500000000000 112.411 > 10 117 Cd 0.83333333333333 0.96021557058465 0.37500000000000 112.411 > 10 118 Cd 0.16666666666667 0.96021557058465 0.87500000000000 112.411 > 10 119 Cd 0.50000000000000 0.96021557058465 0.87500000000000 112.411 > 10 120 Cd 0.83333333333333 0.96021557058465 0.87500000000000 112.411 > 10 *121 Cs 0.00000000000000 0.25474513546139 0.12500000000000 132.905 > 11 122 Cs 0.33333333333333 0.25474513546139 0.12500000000000 132.905 > 11 123 Cs 0.66666666666667 0.25474513546139 0.12500000000000 132.905 > 11 124 Cs 0.00000000000000 0.25474513546139 0.62500000000000 132.905 > 11 125 Cs 0.33333333333333 0.25474513546139 0.62500000000000 132.905 > 11 126 Cs 0.66666666666667 0.25474513546139 0.62500000000000 132.905 > 11 127 Cs 0.16666666666667 0.24525486453861 0.37500000000000 132.905 > 12 128 Cs 0.50000000000000 0.24525486453861 0.37500000000000 132.905 > 12 129 Cs 0.83333333333333 0.24525486453861 0.37500000000000 132.905 > 12 130 Cs 0.16666666666667 0.24525486453861 0.87500000000000 132.905 > 12 131 Cs 0.50000000000000 0.24525486453861 0.87500000000000 132.905 > 12 132 Cs 0.83333333333333 0.24525486453861 0.87500000000000 132.905 > 12 133 Cs 0.16666666666667 0.75474513546139 0.12500000000000 132.905 > 11 134 Cs 0.50000000000000 0.75474513546139 0.12500000000000 132.905 > 11 135 Cs 0.83333333333333 0.75474513546139 0.12500000000000 132.905 > 11 136 Cs 0.16666666666667 0.75474513546139 0.62500000000000 132.905 > 11 137 Cs 0.50000000000000 0.75474513546139 0.62500000000000 132.905 > 11 138 Cs 0.83333333333333 0.75474513546139 0.62500000000000 132.905 > 11 139 Cs 0.00000000000000 0.74525486453861 0.37500000000000 132.905 > 12 140 Cs 0.33333333333333 0.74525486453861 0.37500000000000 132.905 > 12 141 Cs 0.66666666666667 0.74525486453861 0.37500000000000 132.905 > 12 142 Cs 0.00000000000000 0.74525486453861 0.87500000000000 132.905 > 12 143 Cs 0.33333333333333 0.74525486453861 0.87500000000000 132.905 > 12 144 Cs 0.66666666666667 0.74525486453861 0.87500000000000 132.905 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7067109 0.0000000 0.0000000 0.0000000 4.6489924 0.0000000 0.0000000 0.0000000 6.6483698 -------------------------- Born effective charges -------------------------- 1 Se -2.2301331 0.0000000 0.0000000 0.0000000 -1.2081203 0.0000000 0.0000000 0.0000000 -3.2699805 2 Se -2.2301331 0.0000000 0.0000000 0.0000000 -1.2081203 0.0000000 0.0000000 0.0000000 -3.2699805 3 Se -2.7843660 0.0000000 0.0000000 0.0000000 -1.6334812 0.0531227 0.0000000 0.1546046 -2.1716929 4 Se -2.7843660 0.0000000 0.0000000 0.0000000 -1.6334812 -0.0531227 0.0000000 -0.1546046 -2.1716929 5 Se -2.7843660 0.0000000 0.0000000 0.0000000 -1.6334812 -0.0531227 0.0000000 -0.1546046 -2.1716929 6 Se -2.7843660 0.0000000 0.0000000 0.0000000 -1.6334812 0.0531227 0.0000000 0.1546046 -2.1716929 7 Y 4.7498341 0.0000000 0.0000000 0.0000000 1.6959512 -0.2315813 0.0000000 -0.3189543 4.3417053 8 Y 4.7498341 0.0000000 0.0000000 0.0000000 1.6959512 0.2315813 0.0000000 0.3189543 4.3417053 9 Cd 1.8741704 0.0000000 0.0000000 0.0000000 0.8438695 0.0000000 0.0000000 0.0000000 1.9292180 10 Cd 1.8741704 0.0000000 0.0000000 0.0000000 0.8438695 0.0000000 0.0000000 0.0000000 1.9292180 11 Cs 1.1748606 0.0000000 0.0000000 0.0000000 1.9352620 0.0000000 0.0000000 0.0000000 1.3424431 12 Cs 1.1748606 0.0000000 0.0000000 0.0000000 1.9352620 0.0000000 0.0000000 0.0000000 1.3424431 ---------------------------------------------------------------------------- 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): 0.007 Solver_block: 100 / 240 - Time: 0.356 Solver_block: 200 / 240 - Time: 0.355 Solver_block: 240 / 240 - Time: 0.187 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.917 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:52:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:52:05]------------------------- Compiled with OpenMP support (max 32 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 2.109917760000000 -7.907350669999999 0.000000000000000 b 2.109917760000000 7.907350669999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.967899139999998 Atomic positions (fractional): 1 Se 0.06261019803076 0.93738980196924 0.25000000000000 78.960 2 Se 0.93738980196924 0.06261019803076 0.75000000000000 78.960 3 Se 0.62020419343463 0.37979580656537 0.54446123976155 78.960 4 Se 0.62020419343463 0.37979580656537 0.95553876023845 78.960 5 Se 0.37979580656537 0.62020419343463 0.04446123976155 78.960 6 Se 0.37979580656537 0.62020419343463 0.45553876023845 78.960 7 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 8 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 9 Cd 0.46021557058465 0.53978442941535 0.25000000000000 112.411 10 Cd 0.53978442941535 0.46021557058465 0.75000000000000 112.411 11 Cs 0.74525486453861 0.25474513546139 0.25000000000000 132.905 12 Cs 0.25474513546139 0.74525486453861 0.75000000000000 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.659506560000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.814701339999997 0.000000000000000 c 0.000000000000000 0.000000000000000 21.935798279999997 Atomic positions (fractional): 1 Se 0.16666666666667 0.43738980196924 0.12500000000000 78.960 > 1 2 Se 0.50000000000000 0.43738980196924 0.12500000000000 78.960 > 1 3 Se 0.83333333333333 0.43738980196924 0.12500000000000 78.960 > 1 4 Se 0.16666666666667 0.43738980196924 0.62500000000000 78.960 > 1 5 Se 0.50000000000000 0.43738980196924 0.62500000000000 78.960 > 1 6 Se 0.83333333333333 0.43738980196924 0.62500000000000 78.960 > 1 7 Se 0.00000000000000 0.06261019803076 0.37500000000000 78.960 > 7 8 Se 0.33333333333333 0.06261019803076 0.37500000000000 78.960 > 7 9 Se 0.66666666666667 0.06261019803076 0.37500000000000 78.960 > 7 10 Se 0.00000000000000 0.06261019803076 0.87500000000000 78.960 > 7 11 Se 0.33333333333333 0.06261019803076 0.87500000000000 78.960 > 7 12 Se 0.66666666666667 0.06261019803076 0.87500000000000 78.960 > 7 13 Se 0.00000000000000 0.37979580656537 0.27223061988077 78.960 > 13 14 Se 0.33333333333333 0.37979580656537 0.27223061988077 78.960 > 13 15 Se 0.66666666666667 0.37979580656537 0.27223061988077 78.960 > 13 16 Se 0.00000000000000 0.37979580656537 0.77223061988077 78.960 > 13 17 Se 0.33333333333333 0.37979580656537 0.77223061988077 78.960 > 13 18 Se 0.66666666666667 0.37979580656537 0.77223061988077 78.960 > 13 19 Se 0.00000000000000 0.37979580656537 0.47776938011923 78.960 > 19 20 Se 0.33333333333333 0.37979580656537 0.47776938011923 78.960 > 19 21 Se 0.66666666666667 0.37979580656537 0.47776938011923 78.960 > 19 22 Se 0.00000000000000 0.37979580656537 0.97776938011923 78.960 > 19 23 Se 0.33333333333333 0.37979580656537 0.97776938011923 78.960 > 19 24 Se 0.66666666666667 0.37979580656537 0.97776938011923 78.960 > 19 25 Se 0.16666666666667 0.12020419343463 0.02223061988077 78.960 > 25 26 Se 0.50000000000000 0.12020419343463 0.02223061988077 78.960 > 25 27 Se 0.83333333333333 0.12020419343463 0.02223061988077 78.960 > 25 28 Se 0.16666666666667 0.12020419343463 0.52223061988077 78.960 > 25 29 Se 0.50000000000000 0.12020419343463 0.52223061988077 78.960 > 25 30 Se 0.83333333333333 0.12020419343463 0.52223061988077 78.960 > 25 31 Se 0.16666666666667 0.12020419343463 0.22776938011923 78.960 > 31 32 Se 0.50000000000000 0.12020419343463 0.22776938011923 78.960 > 31 33 Se 0.83333333333333 0.12020419343463 0.22776938011923 78.960 > 31 34 Se 0.16666666666667 0.12020419343463 0.72776938011923 78.960 > 31 35 Se 0.50000000000000 0.12020419343463 0.72776938011923 78.960 > 31 36 Se 0.83333333333333 0.12020419343463 0.72776938011923 78.960 > 31 37 Se 0.00000000000000 0.93738980196924 0.12500000000000 78.960 > 1 38 Se 0.33333333333333 0.93738980196924 0.12500000000000 78.960 > 1 39 Se 0.66666666666667 0.93738980196924 0.12500000000000 78.960 > 1 40 Se 0.00000000000000 0.93738980196924 0.62500000000000 78.960 > 1 41 Se 0.33333333333333 0.93738980196924 0.62500000000000 78.960 > 1 42 Se 0.66666666666667 0.93738980196924 0.62500000000000 78.960 > 1 43 Se 0.16666666666667 0.56261019803076 0.37500000000000 78.960 > 7 44 Se 0.50000000000000 0.56261019803076 0.37500000000000 78.960 > 7 45 Se 0.83333333333333 0.56261019803076 0.37500000000000 78.960 > 7 46 Se 0.16666666666667 0.56261019803076 0.87500000000000 78.960 > 7 47 Se 0.50000000000000 0.56261019803076 0.87500000000000 78.960 > 7 48 Se 0.83333333333333 0.56261019803076 0.87500000000000 78.960 > 7 49 Se 0.16666666666667 0.87979580656537 0.27223061988077 78.960 > 13 50 Se 0.50000000000000 0.87979580656537 0.27223061988077 78.960 > 13 51 Se 0.83333333333333 0.87979580656537 0.27223061988077 78.960 > 13 52 Se 0.16666666666667 0.87979580656537 0.77223061988077 78.960 > 13 53 Se 0.50000000000000 0.87979580656537 0.77223061988077 78.960 > 13 54 Se 0.83333333333333 0.87979580656537 0.77223061988077 78.960 > 13 55 Se 0.16666666666667 0.87979580656537 0.47776938011923 78.960 > 19 56 Se 0.50000000000000 0.87979580656537 0.47776938011923 78.960 > 19 57 Se 0.83333333333333 0.87979580656537 0.47776938011923 78.960 > 19 58 Se 0.16666666666667 0.87979580656537 0.97776938011923 78.960 > 19 59 Se 0.50000000000000 0.87979580656537 0.97776938011923 78.960 > 19 60 Se 0.83333333333333 0.87979580656537 0.97776938011923 78.960 > 19 61 Se 0.00000000000000 0.62020419343463 0.02223061988077 78.960 > 25 62 Se 0.33333333333333 0.62020419343463 0.02223061988077 78.960 > 25 63 Se 0.66666666666667 0.62020419343463 0.02223061988077 78.960 > 25 64 Se 0.00000000000000 0.62020419343463 0.52223061988077 78.960 > 25 65 Se 0.33333333333333 0.62020419343463 0.52223061988077 78.960 > 25 66 Se 0.66666666666667 0.62020419343463 0.52223061988077 78.960 > 25 67 Se 0.00000000000000 0.62020419343463 0.22776938011923 78.960 > 31 68 Se 0.33333333333333 0.62020419343463 0.22776938011923 78.960 > 31 69 Se 0.66666666666667 0.62020419343463 0.22776938011923 78.960 > 31 70 Se 0.00000000000000 0.62020419343463 0.72776938011923 78.960 > 31 71 Se 0.33333333333333 0.62020419343463 0.72776938011923 78.960 > 31 72 Se 0.66666666666667 0.62020419343463 0.72776938011923 78.960 > 31 73 Y 0.00000000000000 0.00000000000000 0.25000000000000 88.906 > 73 74 Y 0.33333333333333 0.00000000000000 0.25000000000000 88.906 > 73 75 Y 0.66666666666667 0.00000000000000 0.25000000000000 88.906 > 73 76 Y 0.00000000000000 0.00000000000000 0.75000000000000 88.906 > 73 77 Y 0.33333333333333 0.00000000000000 0.75000000000000 88.906 > 73 78 Y 0.66666666666667 0.00000000000000 0.75000000000000 88.906 > 73 79 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 79 80 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 79 81 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 79 82 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 79 83 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 79 84 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 79 85 Y 0.16666666666667 0.50000000000000 0.25000000000000 88.906 > 73 86 Y 0.50000000000000 0.50000000000000 0.25000000000000 88.906 > 73 87 Y 0.83333333333333 0.50000000000000 0.25000000000000 88.906 > 73 88 Y 0.16666666666667 0.50000000000000 0.75000000000000 88.906 > 73 89 Y 0.50000000000000 0.50000000000000 0.75000000000000 88.906 > 73 90 Y 0.83333333333333 0.50000000000000 0.75000000000000 88.906 > 73 91 Y 0.16666666666667 0.50000000000000 0.00000000000000 88.906 > 79 92 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 79 93 Y 0.83333333333333 0.50000000000000 0.00000000000000 88.906 > 79 94 Y 0.16666666666667 0.50000000000000 0.50000000000000 88.906 > 79 95 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 79 96 Y 0.83333333333333 0.50000000000000 0.50000000000000 88.906 > 79 97 Cd 0.16666666666667 0.03978442941535 0.12500000000000 112.411 > 97 98 Cd 0.50000000000000 0.03978442941535 0.12500000000000 112.411 > 97 99 Cd 0.83333333333333 0.03978442941535 0.12500000000000 112.411 > 97 100 Cd 0.16666666666667 0.03978442941535 0.62500000000000 112.411 > 97 101 Cd 0.50000000000000 0.03978442941535 0.62500000000000 112.411 > 97 102 Cd 0.83333333333333 0.03978442941535 0.62500000000000 112.411 > 97 103 Cd 0.00000000000000 0.46021557058465 0.37500000000000 112.411 > 103 104 Cd 0.33333333333333 0.46021557058465 0.37500000000000 112.411 > 103 105 Cd 0.66666666666667 0.46021557058465 0.37500000000000 112.411 > 103 106 Cd 0.00000000000000 0.46021557058465 0.87500000000000 112.411 > 103 107 Cd 0.33333333333333 0.46021557058465 0.87500000000000 112.411 > 103 108 Cd 0.66666666666667 0.46021557058465 0.87500000000000 112.411 > 103 109 Cd 0.00000000000000 0.53978442941535 0.12500000000000 112.411 > 97 110 Cd 0.33333333333333 0.53978442941535 0.12500000000000 112.411 > 97 111 Cd 0.66666666666667 0.53978442941535 0.12500000000000 112.411 > 97 112 Cd 0.00000000000000 0.53978442941535 0.62500000000000 112.411 > 97 113 Cd 0.33333333333333 0.53978442941535 0.62500000000000 112.411 > 97 114 Cd 0.66666666666667 0.53978442941535 0.62500000000000 112.411 > 97 115 Cd 0.16666666666667 0.96021557058465 0.37500000000000 112.411 > 103 116 Cd 0.50000000000000 0.96021557058465 0.37500000000000 112.411 > 103 117 Cd 0.83333333333333 0.96021557058465 0.37500000000000 112.411 > 103 118 Cd 0.16666666666667 0.96021557058465 0.87500000000000 112.411 > 103 119 Cd 0.50000000000000 0.96021557058465 0.87500000000000 112.411 > 103 120 Cd 0.83333333333333 0.96021557058465 0.87500000000000 112.411 > 103 121 Cs 0.00000000000000 0.25474513546139 0.12500000000000 132.905 > 121 122 Cs 0.33333333333333 0.25474513546139 0.12500000000000 132.905 > 121 123 Cs 0.66666666666667 0.25474513546139 0.12500000000000 132.905 > 121 124 Cs 0.00000000000000 0.25474513546139 0.62500000000000 132.905 > 121 125 Cs 0.33333333333333 0.25474513546139 0.62500000000000 132.905 > 121 126 Cs 0.66666666666667 0.25474513546139 0.62500000000000 132.905 > 121 127 Cs 0.16666666666667 0.24525486453861 0.37500000000000 132.905 > 127 128 Cs 0.50000000000000 0.24525486453861 0.37500000000000 132.905 > 127 129 Cs 0.83333333333333 0.24525486453861 0.37500000000000 132.905 > 127 130 Cs 0.16666666666667 0.24525486453861 0.87500000000000 132.905 > 127 131 Cs 0.50000000000000 0.24525486453861 0.87500000000000 132.905 > 127 132 Cs 0.83333333333333 0.24525486453861 0.87500000000000 132.905 > 127 133 Cs 0.16666666666667 0.75474513546139 0.12500000000000 132.905 > 121 134 Cs 0.50000000000000 0.75474513546139 0.12500000000000 132.905 > 121 135 Cs 0.83333333333333 0.75474513546139 0.12500000000000 132.905 > 121 136 Cs 0.16666666666667 0.75474513546139 0.62500000000000 132.905 > 121 137 Cs 0.50000000000000 0.75474513546139 0.62500000000000 132.905 > 121 138 Cs 0.83333333333333 0.75474513546139 0.62500000000000 132.905 > 121 139 Cs 0.00000000000000 0.74525486453861 0.37500000000000 132.905 > 127 140 Cs 0.33333333333333 0.74525486453861 0.37500000000000 132.905 > 127 141 Cs 0.66666666666667 0.74525486453861 0.37500000000000 132.905 > 127 142 Cs 0.00000000000000 0.74525486453861 0.87500000000000 132.905 > 127 143 Cs 0.33333333333333 0.74525486453861 0.87500000000000 132.905 > 127 144 Cs 0.66666666666667 0.74525486453861 0.87500000000000 132.905 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7067109 0.0000000 0.0000000 0.0000000 4.6489924 0.0000000 0.0000000 0.0000000 6.6483698 -------------------------- Born effective charges -------------------------- 1 Se -2.2301331 0.0000000 0.0000000 0.0000000 -1.2081203 0.0000000 0.0000000 0.0000000 -3.2699805 2 Se -2.2301331 0.0000000 0.0000000 0.0000000 -1.2081203 0.0000000 0.0000000 0.0000000 -3.2699805 3 Se -2.7843660 0.0000000 0.0000000 0.0000000 -1.6334812 0.0531227 0.0000000 0.1546046 -2.1716929 4 Se -2.7843660 0.0000000 0.0000000 0.0000000 -1.6334812 -0.0531227 0.0000000 -0.1546046 -2.1716929 5 Se -2.7843660 0.0000000 0.0000000 0.0000000 -1.6334812 -0.0531227 0.0000000 -0.1546046 -2.1716929 6 Se -2.7843660 0.0000000 0.0000000 0.0000000 -1.6334812 0.0531227 0.0000000 0.1546046 -2.1716929 7 Y 4.7498341 0.0000000 0.0000000 0.0000000 1.6959512 -0.2315813 0.0000000 -0.3189543 4.3417053 8 Y 4.7498341 0.0000000 0.0000000 0.0000000 1.6959512 0.2315813 0.0000000 0.3189543 4.3417053 9 Cd 1.8741704 0.0000000 0.0000000 0.0000000 0.8438695 0.0000000 0.0000000 0.0000000 1.9292180 10 Cd 1.8741704 0.0000000 0.0000000 0.0000000 0.8438695 0.0000000 0.0000000 0.0000000 1.9292180 11 Cs 1.1748606 0.0000000 0.0000000 0.0000000 1.9352620 0.0000000 0.0000000 0.0000000 1.3424431 12 Cs 1.1748606 0.0000000 0.0000000 0.0000000 1.9352620 0.0000000 0.0000000 0.0000000 1.3424431 ---------------------------------------------------------------------------- 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[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:52:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:52:27]------------------------- Compiled with OpenMP support (max 32 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 2.109917760000000 -7.907350669999999 0.000000000000000 b 2.109917760000000 7.907350669999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.967899139999998 Atomic positions (fractional): 1 Se 0.06261019803076 0.93738980196924 0.25000000000000 78.960 2 Se 0.93738980196924 0.06261019803076 0.75000000000000 78.960 3 Se 0.62020419343463 0.37979580656537 0.54446123976155 78.960 4 Se 0.62020419343463 0.37979580656537 0.95553876023845 78.960 5 Se 0.37979580656537 0.62020419343463 0.04446123976155 78.960 6 Se 0.37979580656537 0.62020419343463 0.45553876023845 78.960 7 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 8 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 9 Cd 0.46021557058465 0.53978442941535 0.25000000000000 112.411 10 Cd 0.53978442941535 0.46021557058465 0.75000000000000 112.411 11 Cs 0.74525486453861 0.25474513546139 0.25000000000000 132.905 12 Cs 0.25474513546139 0.74525486453861 0.75000000000000 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.659506560000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.814701339999997 0.000000000000000 c 0.000000000000000 0.000000000000000 21.935798279999997 Atomic positions (fractional): 1 Se 0.16666666666667 0.43738980196924 0.12500000000000 78.960 > 1 2 Se 0.50000000000000 0.43738980196924 0.12500000000000 78.960 > 1 3 Se 0.83333333333333 0.43738980196924 0.12500000000000 78.960 > 1 4 Se 0.16666666666667 0.43738980196924 0.62500000000000 78.960 > 1 5 Se 0.50000000000000 0.43738980196924 0.62500000000000 78.960 > 1 6 Se 0.83333333333333 0.43738980196924 0.62500000000000 78.960 > 1 7 Se 0.00000000000000 0.06261019803076 0.37500000000000 78.960 > 7 8 Se 0.33333333333333 0.06261019803076 0.37500000000000 78.960 > 7 9 Se 0.66666666666667 0.06261019803076 0.37500000000000 78.960 > 7 10 Se 0.00000000000000 0.06261019803076 0.87500000000000 78.960 > 7 11 Se 0.33333333333333 0.06261019803076 0.87500000000000 78.960 > 7 12 Se 0.66666666666667 0.06261019803076 0.87500000000000 78.960 > 7 13 Se 0.00000000000000 0.37979580656537 0.27223061988077 78.960 > 13 14 Se 0.33333333333333 0.37979580656537 0.27223061988077 78.960 > 13 15 Se 0.66666666666667 0.37979580656537 0.27223061988077 78.960 > 13 16 Se 0.00000000000000 0.37979580656537 0.77223061988077 78.960 > 13 17 Se 0.33333333333333 0.37979580656537 0.77223061988077 78.960 > 13 18 Se 0.66666666666667 0.37979580656537 0.77223061988077 78.960 > 13 19 Se 0.00000000000000 0.37979580656537 0.47776938011923 78.960 > 19 20 Se 0.33333333333333 0.37979580656537 0.47776938011923 78.960 > 19 21 Se 0.66666666666667 0.37979580656537 0.47776938011923 78.960 > 19 22 Se 0.00000000000000 0.37979580656537 0.97776938011923 78.960 > 19 23 Se 0.33333333333333 0.37979580656537 0.97776938011923 78.960 > 19 24 Se 0.66666666666667 0.37979580656537 0.97776938011923 78.960 > 19 25 Se 0.16666666666667 0.12020419343463 0.02223061988077 78.960 > 25 26 Se 0.50000000000000 0.12020419343463 0.02223061988077 78.960 > 25 27 Se 0.83333333333333 0.12020419343463 0.02223061988077 78.960 > 25 28 Se 0.16666666666667 0.12020419343463 0.52223061988077 78.960 > 25 29 Se 0.50000000000000 0.12020419343463 0.52223061988077 78.960 > 25 30 Se 0.83333333333333 0.12020419343463 0.52223061988077 78.960 > 25 31 Se 0.16666666666667 0.12020419343463 0.22776938011923 78.960 > 31 32 Se 0.50000000000000 0.12020419343463 0.22776938011923 78.960 > 31 33 Se 0.83333333333333 0.12020419343463 0.22776938011923 78.960 > 31 34 Se 0.16666666666667 0.12020419343463 0.72776938011923 78.960 > 31 35 Se 0.50000000000000 0.12020419343463 0.72776938011923 78.960 > 31 36 Se 0.83333333333333 0.12020419343463 0.72776938011923 78.960 > 31 37 Se 0.00000000000000 0.93738980196924 0.12500000000000 78.960 > 1 38 Se 0.33333333333333 0.93738980196924 0.12500000000000 78.960 > 1 39 Se 0.66666666666667 0.93738980196924 0.12500000000000 78.960 > 1 40 Se 0.00000000000000 0.93738980196924 0.62500000000000 78.960 > 1 41 Se 0.33333333333333 0.93738980196924 0.62500000000000 78.960 > 1 42 Se 0.66666666666667 0.93738980196924 0.62500000000000 78.960 > 1 43 Se 0.16666666666667 0.56261019803076 0.37500000000000 78.960 > 7 44 Se 0.50000000000000 0.56261019803076 0.37500000000000 78.960 > 7 45 Se 0.83333333333333 0.56261019803076 0.37500000000000 78.960 > 7 46 Se 0.16666666666667 0.56261019803076 0.87500000000000 78.960 > 7 47 Se 0.50000000000000 0.56261019803076 0.87500000000000 78.960 > 7 48 Se 0.83333333333333 0.56261019803076 0.87500000000000 78.960 > 7 49 Se 0.16666666666667 0.87979580656537 0.27223061988077 78.960 > 13 50 Se 0.50000000000000 0.87979580656537 0.27223061988077 78.960 > 13 51 Se 0.83333333333333 0.87979580656537 0.27223061988077 78.960 > 13 52 Se 0.16666666666667 0.87979580656537 0.77223061988077 78.960 > 13 53 Se 0.50000000000000 0.87979580656537 0.77223061988077 78.960 > 13 54 Se 0.83333333333333 0.87979580656537 0.77223061988077 78.960 > 13 55 Se 0.16666666666667 0.87979580656537 0.47776938011923 78.960 > 19 56 Se 0.50000000000000 0.87979580656537 0.47776938011923 78.960 > 19 57 Se 0.83333333333333 0.87979580656537 0.47776938011923 78.960 > 19 58 Se 0.16666666666667 0.87979580656537 0.97776938011923 78.960 > 19 59 Se 0.50000000000000 0.87979580656537 0.97776938011923 78.960 > 19 60 Se 0.83333333333333 0.87979580656537 0.97776938011923 78.960 > 19 61 Se 0.00000000000000 0.62020419343463 0.02223061988077 78.960 > 25 62 Se 0.33333333333333 0.62020419343463 0.02223061988077 78.960 > 25 63 Se 0.66666666666667 0.62020419343463 0.02223061988077 78.960 > 25 64 Se 0.00000000000000 0.62020419343463 0.52223061988077 78.960 > 25 65 Se 0.33333333333333 0.62020419343463 0.52223061988077 78.960 > 25 66 Se 0.66666666666667 0.62020419343463 0.52223061988077 78.960 > 25 67 Se 0.00000000000000 0.62020419343463 0.22776938011923 78.960 > 31 68 Se 0.33333333333333 0.62020419343463 0.22776938011923 78.960 > 31 69 Se 0.66666666666667 0.62020419343463 0.22776938011923 78.960 > 31 70 Se 0.00000000000000 0.62020419343463 0.72776938011923 78.960 > 31 71 Se 0.33333333333333 0.62020419343463 0.72776938011923 78.960 > 31 72 Se 0.66666666666667 0.62020419343463 0.72776938011923 78.960 > 31 73 Y 0.00000000000000 0.00000000000000 0.25000000000000 88.906 > 73 74 Y 0.33333333333333 0.00000000000000 0.25000000000000 88.906 > 73 75 Y 0.66666666666667 0.00000000000000 0.25000000000000 88.906 > 73 76 Y 0.00000000000000 0.00000000000000 0.75000000000000 88.906 > 73 77 Y 0.33333333333333 0.00000000000000 0.75000000000000 88.906 > 73 78 Y 0.66666666666667 0.00000000000000 0.75000000000000 88.906 > 73 79 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 79 80 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 79 81 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 79 82 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 79 83 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 79 84 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 79 85 Y 0.16666666666667 0.50000000000000 0.25000000000000 88.906 > 73 86 Y 0.50000000000000 0.50000000000000 0.25000000000000 88.906 > 73 87 Y 0.83333333333333 0.50000000000000 0.25000000000000 88.906 > 73 88 Y 0.16666666666667 0.50000000000000 0.75000000000000 88.906 > 73 89 Y 0.50000000000000 0.50000000000000 0.75000000000000 88.906 > 73 90 Y 0.83333333333333 0.50000000000000 0.75000000000000 88.906 > 73 91 Y 0.16666666666667 0.50000000000000 0.00000000000000 88.906 > 79 92 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 79 93 Y 0.83333333333333 0.50000000000000 0.00000000000000 88.906 > 79 94 Y 0.16666666666667 0.50000000000000 0.50000000000000 88.906 > 79 95 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 79 96 Y 0.83333333333333 0.50000000000000 0.50000000000000 88.906 > 79 97 Cd 0.16666666666667 0.03978442941535 0.12500000000000 112.411 > 97 98 Cd 0.50000000000000 0.03978442941535 0.12500000000000 112.411 > 97 99 Cd 0.83333333333333 0.03978442941535 0.12500000000000 112.411 > 97 100 Cd 0.16666666666667 0.03978442941535 0.62500000000000 112.411 > 97 101 Cd 0.50000000000000 0.03978442941535 0.62500000000000 112.411 > 97 102 Cd 0.83333333333333 0.03978442941535 0.62500000000000 112.411 > 97 103 Cd 0.00000000000000 0.46021557058465 0.37500000000000 112.411 > 103 104 Cd 0.33333333333333 0.46021557058465 0.37500000000000 112.411 > 103 105 Cd 0.66666666666667 0.46021557058465 0.37500000000000 112.411 > 103 106 Cd 0.00000000000000 0.46021557058465 0.87500000000000 112.411 > 103 107 Cd 0.33333333333333 0.46021557058465 0.87500000000000 112.411 > 103 108 Cd 0.66666666666667 0.46021557058465 0.87500000000000 112.411 > 103 109 Cd 0.00000000000000 0.53978442941535 0.12500000000000 112.411 > 97 110 Cd 0.33333333333333 0.53978442941535 0.12500000000000 112.411 > 97 111 Cd 0.66666666666667 0.53978442941535 0.12500000000000 112.411 > 97 112 Cd 0.00000000000000 0.53978442941535 0.62500000000000 112.411 > 97 113 Cd 0.33333333333333 0.53978442941535 0.62500000000000 112.411 > 97 114 Cd 0.66666666666667 0.53978442941535 0.62500000000000 112.411 > 97 115 Cd 0.16666666666667 0.96021557058465 0.37500000000000 112.411 > 103 116 Cd 0.50000000000000 0.96021557058465 0.37500000000000 112.411 > 103 117 Cd 0.83333333333333 0.96021557058465 0.37500000000000 112.411 > 103 118 Cd 0.16666666666667 0.96021557058465 0.87500000000000 112.411 > 103 119 Cd 0.50000000000000 0.96021557058465 0.87500000000000 112.411 > 103 120 Cd 0.83333333333333 0.96021557058465 0.87500000000000 112.411 > 103 121 Cs 0.00000000000000 0.25474513546139 0.12500000000000 132.905 > 121 122 Cs 0.33333333333333 0.25474513546139 0.12500000000000 132.905 > 121 123 Cs 0.66666666666667 0.25474513546139 0.12500000000000 132.905 > 121 124 Cs 0.00000000000000 0.25474513546139 0.62500000000000 132.905 > 121 125 Cs 0.33333333333333 0.25474513546139 0.62500000000000 132.905 > 121 126 Cs 0.66666666666667 0.25474513546139 0.62500000000000 132.905 > 121 127 Cs 0.16666666666667 0.24525486453861 0.37500000000000 132.905 > 127 128 Cs 0.50000000000000 0.24525486453861 0.37500000000000 132.905 > 127 129 Cs 0.83333333333333 0.24525486453861 0.37500000000000 132.905 > 127 130 Cs 0.16666666666667 0.24525486453861 0.87500000000000 132.905 > 127 131 Cs 0.50000000000000 0.24525486453861 0.87500000000000 132.905 > 127 132 Cs 0.83333333333333 0.24525486453861 0.87500000000000 132.905 > 127 133 Cs 0.16666666666667 0.75474513546139 0.12500000000000 132.905 > 121 134 Cs 0.50000000000000 0.75474513546139 0.12500000000000 132.905 > 121 135 Cs 0.83333333333333 0.75474513546139 0.12500000000000 132.905 > 121 136 Cs 0.16666666666667 0.75474513546139 0.62500000000000 132.905 > 121 137 Cs 0.50000000000000 0.75474513546139 0.62500000000000 132.905 > 121 138 Cs 0.83333333333333 0.75474513546139 0.62500000000000 132.905 > 121 139 Cs 0.00000000000000 0.74525486453861 0.37500000000000 132.905 > 127 140 Cs 0.33333333333333 0.74525486453861 0.37500000000000 132.905 > 127 141 Cs 0.66666666666667 0.74525486453861 0.37500000000000 132.905 > 127 142 Cs 0.00000000000000 0.74525486453861 0.87500000000000 132.905 > 127 143 Cs 0.33333333333333 0.74525486453861 0.87500000000000 132.905 > 127 144 Cs 0.66666666666667 0.74525486453861 0.87500000000000 132.905 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.7067109 0.0000000 0.0000000 0.0000000 4.6489924 0.0000000 0.0000000 0.0000000 6.6483698 -------------------------- Born effective charges -------------------------- 1 Se -2.2301331 0.0000000 0.0000000 0.0000000 -1.2081203 0.0000000 0.0000000 0.0000000 -3.2699805 2 Se -2.2301331 0.0000000 0.0000000 0.0000000 -1.2081203 0.0000000 0.0000000 0.0000000 -3.2699805 3 Se -2.7843660 0.0000000 0.0000000 0.0000000 -1.6334812 0.0531227 0.0000000 0.1546046 -2.1716929 4 Se -2.7843660 0.0000000 0.0000000 0.0000000 -1.6334812 -0.0531227 0.0000000 -0.1546046 -2.1716929 5 Se -2.7843660 0.0000000 0.0000000 0.0000000 -1.6334812 -0.0531227 0.0000000 -0.1546046 -2.1716929 6 Se -2.7843660 0.0000000 0.0000000 0.0000000 -1.6334812 0.0531227 0.0000000 0.1546046 -2.1716929 7 Y 4.7498341 0.0000000 0.0000000 0.0000000 1.6959512 -0.2315813 0.0000000 -0.3189543 4.3417053 8 Y 4.7498341 0.0000000 0.0000000 0.0000000 1.6959512 0.2315813 0.0000000 0.3189543 4.3417053 9 Cd 1.8741704 0.0000000 0.0000000 0.0000000 0.8438695 0.0000000 0.0000000 0.0000000 1.9292180 10 Cd 1.8741704 0.0000000 0.0000000 0.0000000 0.8438695 0.0000000 0.0000000 0.0000000 1.9292180 11 Cs 1.1748606 0.0000000 0.0000000 0.0000000 1.9352620 0.0000000 0.0000000 0.0000000 1.3424431 12 Cs 1.1748606 0.0000000 0.0000000 0.0000000 1.9352620 0.0000000 0.0000000 0.0000000 1.3424431 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 5 ] 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: 307, Lambda: 0.15 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: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 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 1.000 ( 0.000 0.000 0.000) 0.000 1.184 ( 0.000 0.000 0.000) 0.000 1.216 ( 0.000 0.000 0.000) 0.000 1.301 ( 0.000 0.000 0.000) 0.000 1.528 ( 0.000 0.000 0.000) 0.000 1.619 ( 0.000 0.000 0.000) 0.000 1.652 ( 0.000 0.000 0.000) 0.000 1.925 ( 0.000 0.000 0.000) 0.000 1.928 ( 0.000 0.000 0.000) 0.000 2.088 ( 0.000 0.000 0.000) 0.000 2.163 ( 0.000 0.000 0.000) 0.000 2.163 ( 0.000 0.000 0.000) 0.000 2.188 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 3.344 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 3.821 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 4.928 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 0.000) 0.000 5.017 ( 0.000 0.000 0.000) 0.000 5.047 ( 0.000 0.000 0.000) 0.000 5.420 ( 0.000 0.000 0.000) 0.000 5.544 ( 0.000 0.000 0.000) 0.000 6.225 ( 0.000 0.000 0.000) 0.000 6.311 ( 0.000 0.000 0.000) 0.000 6.464 ( 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: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( 16.694 -0.390 0.000) 16.698 0.395 ( 18.626 -1.569 0.000) 18.692 0.641 ( 28.835 -6.561 0.000) 29.572 1.040 ( 4.103 0.441 0.000) 4.127 1.226 ( 4.406 0.756 0.000) 4.470 1.250 ( -3.639 1.827 0.000) 4.072 1.283 ( 5.993 -2.389 0.000) 6.452 1.607 ( 4.557 1.404 0.000) 4.768 1.639 ( 1.956 -0.512 0.000) 2.021 1.768 ( 9.274 -0.020 0.000) 9.274 1.880 ( -2.363 -0.202 0.000) 2.372 1.976 ( 1.471 1.869 0.000) 2.378 2.044 ( -2.813 -0.865 0.000) 2.943 2.177 ( 2.697 -0.041 0.000) 2.697 2.178 ( -0.650 -0.340 0.000) 0.733 2.297 ( 9.504 -0.558 0.000) 9.520 2.954 ( -1.405 0.104 0.000) 1.409 3.373 ( 2.693 -0.047 0.000) 2.694 3.410 ( 1.809 -0.620 0.000) 1.912 3.756 ( -3.778 -0.077 0.000) 3.779 3.826 ( 2.584 -0.002 0.000) 2.584 4.100 ( 8.735 0.055 0.000) 8.735 4.107 ( 0.033 0.212 0.000) 0.215 4.166 ( -2.520 -0.220 0.000) 2.529 4.787 ( 1.411 0.223 0.000) 1.429 4.811 ( -4.498 -0.262 0.000) 4.505 4.835 ( -0.231 2.923 0.000) 2.932 4.930 ( 0.283 -0.068 0.000) 0.291 4.983 ( 4.236 0.310 0.000) 4.247 5.011 ( -1.273 -0.358 0.000) 1.322 5.402 ( -1.731 0.053 0.000) 1.732 5.483 ( -3.588 3.571 0.000) 5.062 6.001 ( 8.304 32.969 0.000) 33.998 6.246 ( 2.291 0.800 0.000) 2.426 6.337 ( -10.223 -18.383 0.000) 21.034 6.429 ( -3.611 -0.904 0.000) 3.723 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 16.734 1.963 0.000) 16.848 0.718 ( 11.940 -1.800 0.000) 12.075 1.144 ( 16.486 -4.710 0.000) 17.145 1.157 ( 1.942 2.445 0.000) 3.122 1.175 ( 4.240 0.706 0.000) 4.298 1.375 ( 12.509 1.437 0.000) 12.591 1.458 ( 9.376 -4.885 0.000) 10.572 1.696 ( 4.812 4.156 0.000) 6.359 1.703 ( 4.232 -0.283 0.000) 4.241 1.831 ( -2.589 2.130 0.000) 3.353 1.891 ( 1.568 -0.355 0.000) 1.607 1.943 ( -1.496 3.220 0.000) 3.550 2.014 ( -1.692 -2.874 0.000) 3.335 2.210 ( 3.788 -1.621 0.000) 4.120 2.356 ( 16.110 0.175 0.000) 16.111 2.540 ( 14.198 0.048 0.000) 14.198 2.913 ( -2.650 0.126 0.000) 2.653 3.437 ( 3.202 -0.203 0.000) 3.209 3.448 ( 1.321 -1.137 0.000) 1.743 3.699 ( -2.097 -0.213 0.000) 2.108 3.906 ( 5.367 -0.174 0.000) 5.370 4.106 ( 0.079 0.219 0.000) 0.233 4.109 ( -2.877 -0.246 0.000) 2.887 4.250 ( 5.744 0.188 0.000) 5.747 4.681 ( -8.534 -0.343 0.000) 8.541 4.824 ( 0.244 1.836 0.000) 1.852 4.834 ( 3.335 0.249 0.000) 3.345 4.914 ( -8.444 -0.450 0.000) 8.456 4.952 ( 1.207 -0.080 0.000) 1.210 5.081 ( 4.988 -0.078 0.000) 4.989 5.352 ( -3.252 0.081 0.000) 3.253 5.390 ( -3.652 0.792 0.000) 3.737 5.982 ( 2.367 14.955 0.000) 15.141 6.203 ( -9.137 -5.979 0.000) 10.920 6.298 ( 2.430 1.996 0.000) 3.145 6.348 ( -3.771 -1.916 0.000) 4.229 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 3.069 -0.613 0.000) 3.130 0.964 ( 15.598 4.600 0.000) 16.262 1.090 ( -3.003 1.156 0.000) 3.218 1.369 ( 8.635 2.004 0.000) 8.865 1.423 ( 15.366 0.361 0.000) 15.371 1.620 ( 9.454 -4.391 0.000) 10.424 1.653 ( 3.447 0.690 0.000) 3.516 1.688 ( -1.830 7.957 0.000) 8.165 1.777 ( 0.618 1.982 0.000) 2.076 1.804 ( 5.756 0.355 0.000) 5.767 1.878 ( -1.972 -0.813 0.000) 2.133 1.930 ( -0.124 -1.818 0.000) 1.823 2.076 ( 7.465 -6.323 0.000) 9.783 2.325 ( 6.298 -1.940 0.000) 6.590 2.737 ( 20.645 0.278 0.000) 20.647 2.823 ( 13.518 -0.061 0.000) 13.519 2.849 ( -3.744 0.006 0.000) 3.744 3.470 ( 0.396 -0.922 0.000) 1.003 3.479 ( 0.354 -0.353 0.000) 0.500 3.670 ( -0.981 -0.175 0.000) 0.997 4.020 ( 5.388 -0.324 0.000) 5.397 4.078 ( 0.282 -0.083 0.000) 0.294 4.107 ( -0.066 -0.004 0.000) 0.066 4.328 ( 2.877 0.147 0.000) 2.880 4.495 ( -9.835 -0.275 0.000) 9.839 4.642 ( -16.759 -0.267 0.000) 16.761 4.849 ( 1.988 0.609 0.000) 2.079 4.895 ( 2.282 0.254 0.000) 2.296 5.006 ( 4.037 0.210 0.000) 4.043 5.158 ( 1.778 -0.123 0.000) 1.782 5.283 ( -2.948 0.145 0.000) 2.951 5.338 ( -1.874 0.060 0.000) 1.875 5.925 ( -3.011 5.254 0.000) 6.056 6.069 ( -5.032 1.461 0.000) 5.240 6.230 ( -5.031 -0.587 0.000) 5.066 6.396 ( 4.442 1.022 0.000) 4.558 ======================= Grid point 4 (5/129) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.340 0.348 0.000) 0.486 1.029 ( -2.990 -0.011 0.000) 2.990 1.218 ( 12.985 6.813 0.000) 14.664 1.457 ( -0.505 8.084 0.000) 8.100 1.567 ( -0.746 6.337 0.000) 6.380 1.653 ( 1.407 4.807 0.000) 5.009 1.720 ( 13.456 -0.051 0.000) 13.456 1.803 ( 2.073 -3.976 0.000) 4.483 1.820 ( 4.674 -5.658 0.000) 7.339 1.835 ( -1.948 -0.793 0.000) 2.103 1.931 ( -1.999 -6.090 0.000) 6.409 1.932 ( 7.115 0.406 0.000) 7.126 2.301 ( 9.810 -4.076 0.000) 10.623 2.457 ( 5.792 -1.133 0.000) 5.902 2.763 ( -4.986 -0.176 0.000) 4.989 3.042 ( 8.095 -0.366 0.000) 8.103 3.112 ( 16.064 0.156 0.000) 16.065 3.438 ( -4.750 -0.378 0.000) 4.765 3.477 ( 0.095 -0.338 0.000) 0.351 3.667 ( 0.872 0.028 0.000) 0.873 4.083 ( -1.598 -0.327 0.000) 1.631 4.099 ( -0.815 -0.196 0.000) 0.838 4.142 ( 6.322 0.121 0.000) 6.324 4.322 ( -12.207 -0.417 0.000) 12.214 4.332 ( -5.917 -0.040 0.000) 5.917 4.388 ( 3.776 -0.002 0.000) 3.776 4.903 ( -1.566 0.206 0.000) 1.580 4.904 ( 3.594 0.379 0.000) 3.614 5.103 ( 4.223 0.335 0.000) 4.236 5.126 ( -2.616 -0.310 0.000) 2.634 5.259 ( -0.354 0.059 0.000) 0.359 5.300 ( -2.122 -0.179 0.000) 2.129 5.816 ( -5.980 0.531 0.000) 6.004 5.989 ( -1.968 4.273 0.000) 4.705 6.146 ( -3.680 -0.610 0.000) 3.730 6.470 ( 3.409 1.210 0.000) 3.617 ======================= Grid point 5 (6/129) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.517 0.500 0.000) 0.719 0.972 ( -2.731 -0.457 0.000) 2.769 1.321 ( -2.928 6.879 0.000) 7.476 1.414 ( 6.516 5.062 0.000) 8.251 1.528 ( 0.194 5.678 0.000) 5.681 1.733 ( 6.366 3.866 0.000) 7.448 1.785 ( -3.756 -5.003 0.000) 6.256 1.806 ( -1.166 -0.592 0.000) 1.308 1.903 ( 4.878 0.191 0.000) 4.881 1.910 ( -2.814 -6.615 0.000) 7.188 1.961 ( 4.020 -3.361 0.000) 5.240 2.110 ( 10.374 0.100 0.000) 10.374 2.461 ( 4.652 -1.888 0.000) 5.021 2.550 ( 3.016 -0.144 0.000) 3.019 2.653 ( -6.197 -0.268 0.000) 6.203 3.149 ( 2.930 -0.376 0.000) 2.954 3.324 ( -5.697 -0.210 0.000) 5.701 3.331 ( 6.073 -0.005 0.000) 6.073 3.483 ( 0.503 0.081 0.000) 0.510 3.711 ( 3.222 0.153 0.000) 3.226 3.914 ( -10.537 -0.720 0.000) 10.562 4.080 ( -0.976 -0.079 0.000) 0.979 4.254 ( 0.975 0.154 0.000) 0.987 4.265 ( -1.398 -0.025 0.000) 1.399 4.301 ( 8.400 0.169 0.000) 8.401 4.490 ( 6.456 -0.095 0.000) 6.457 4.832 ( -5.315 0.152 0.000) 5.317 4.953 ( -0.647 -0.214 0.000) 0.681 5.055 ( -0.000 0.104 0.000) 0.104 5.227 ( 4.721 0.016 0.000) 4.721 5.235 ( -1.330 -0.004 0.000) 1.330 5.261 ( -1.629 -0.147 0.000) 1.636 5.699 ( -5.298 0.058 0.000) 5.298 5.939 ( -1.204 2.598 0.000) 2.863 6.094 ( -1.845 -0.345 0.000) 1.877 6.514 ( 1.586 0.764 0.000) 1.760 ======================= Grid point 6 (7/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 0.000 -0.000 0.000) 0.000 0.939 ( 0.000 -0.000 0.000) 0.000 1.261 ( 0.000 -0.000 0.000) 0.000 1.459 ( 0.000 -0.000 0.000) 0.000 1.536 ( 0.000 -0.000 0.000) 0.000 1.745 ( -0.000 -0.000 0.000) 0.000 1.796 ( 0.000 -0.000 0.000) 0.000 1.804 ( 0.000 0.000 0.000) 0.000 1.887 ( -0.000 -0.000 0.000) 0.000 1.946 ( 0.000 -0.000 0.000) 0.000 2.012 ( 0.000 -0.000 0.000) 0.000 2.244 ( 0.000 -0.000 0.000) 0.000 2.511 ( 0.000 -0.000 0.000) 0.000 2.567 ( 0.000 -0.000 0.000) 0.000 2.579 ( 0.000 -0.000 0.000) 0.000 3.177 ( 0.000 -0.000 0.000) 0.000 3.261 ( 0.000 -0.000 0.000) 0.000 3.383 ( 0.000 -0.000 0.000) 0.000 3.491 ( 0.000 -0.000 0.000) 0.000 3.751 ( 0.000 -0.000 0.000) 0.000 3.800 ( 0.000 -0.000 0.000) 0.000 4.070 ( 0.000 -0.000 0.000) 0.000 4.255 ( 0.000 -0.000 0.000) 0.000 4.268 ( 0.000 -0.000 0.000) 0.000 4.401 ( 0.000 -0.000 0.000) 0.000 4.593 ( 0.000 -0.000 0.000) 0.000 4.741 ( 0.000 -0.000 0.000) 0.000 4.919 ( 0.000 -0.000 0.000) 0.000 5.087 ( 0.000 -0.000 0.000) 0.000 5.196 ( 0.000 -0.000 0.000) 0.000 5.242 ( 0.000 -0.000 0.000) 0.000 5.297 ( 0.000 -0.000 0.000) 0.000 5.636 ( 0.000 -0.000 0.000) 0.000 5.919 ( 0.000 -0.000 0.000) 0.000 6.076 ( 0.000 -0.000 0.000) 0.000 6.527 ( 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: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 17.341 -0.000 0.000) 17.341 0.708 ( 12.273 -0.000 0.000) 12.273 1.115 ( 18.523 -0.000 0.000) 18.523 1.173 ( 9.717 -0.000 0.000) 9.717 1.176 ( -4.043 0.000 0.000) 4.043 1.396 ( 12.907 -0.000 0.000) 12.907 1.419 ( 8.174 -0.000 0.000) 8.174 1.701 ( 4.423 -0.000 0.000) 4.423 1.719 ( 5.965 -0.000 0.000) 5.965 1.842 ( -1.813 0.000 0.000) 1.813 1.889 ( 1.478 -0.000 0.000) 1.478 1.970 ( -3.308 0.000 0.000) 3.308 1.989 ( -2.028 0.000 0.000) 2.028 2.200 ( 3.604 -0.000 0.000) 3.604 2.357 ( 16.153 -0.000 0.000) 16.153 2.540 ( 14.234 -0.000 0.000) 14.234 2.913 ( -2.678 0.000 0.000) 2.678 3.436 ( 3.178 -0.000 0.000) 3.178 3.442 ( 1.414 -0.000 0.000) 1.414 3.698 ( -2.089 0.000 0.000) 2.089 3.905 ( 5.315 -0.000 0.000) 5.315 4.108 ( 0.018 -0.000 0.000) 0.018 4.108 ( -2.823 0.000 0.000) 2.823 4.251 ( 5.738 -0.000 0.000) 5.738 4.680 ( -8.513 0.000 0.000) 8.513 4.834 ( 0.159 -0.000 0.000) 0.159 4.836 ( 3.319 -0.000 0.000) 3.319 4.912 ( -9.029 0.000 0.000) 9.029 4.951 ( 1.445 -0.000 0.000) 1.445 5.081 ( 5.005 -0.000 0.000) 5.005 5.352 ( -3.237 0.000 0.000) 3.237 5.394 ( -4.091 0.000 0.000) 4.091 6.111 ( -0.888 0.000 0.000) 0.888 6.123 ( -7.843 0.000 0.000) 7.843 6.314 ( 4.204 -0.000 0.000) 4.204 6.333 ( -5.466 0.000 0.000) 5.466 ======================= Grid point 15 (9/129) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 3.668 -0.223 0.000) 3.675 1.002 ( 16.292 2.165 0.000) 16.435 1.098 ( -3.661 0.423 0.000) 3.685 1.381 ( 10.508 0.425 0.000) 10.517 1.426 ( 15.074 0.127 0.000) 15.075 1.587 ( 8.488 -1.500 0.000) 8.620 1.646 ( 7.813 -0.945 0.000) 7.870 1.764 ( -2.307 5.473 0.000) 5.939 1.799 ( -2.233 0.712 0.000) 2.343 1.807 ( 6.051 0.181 0.000) 6.054 1.871 ( -2.153 -0.345 0.000) 2.180 1.915 ( -3.921 -0.672 0.000) 3.978 2.018 ( 9.165 -3.878 0.000) 9.952 2.310 ( 6.663 -0.745 0.000) 6.705 2.740 ( 20.622 0.103 0.000) 20.622 2.822 ( 13.413 -0.019 0.000) 13.413 2.849 ( -3.822 0.001 0.000) 3.822 3.463 ( 0.675 -0.343 0.000) 0.757 3.477 ( 0.350 -0.130 0.000) 0.373 3.669 ( -0.911 -0.065 0.000) 0.914 4.018 ( 5.440 -0.113 0.000) 5.441 4.078 ( 0.368 -0.031 0.000) 0.369 4.107 ( -0.170 -0.001 0.000) 0.170 4.329 ( 2.816 0.054 0.000) 2.816 4.493 ( -9.730 -0.101 0.000) 9.731 4.640 ( -17.012 -0.079 0.000) 17.013 4.853 ( 1.953 0.208 0.000) 1.964 4.897 ( 2.245 0.092 0.000) 2.247 5.008 ( 4.074 0.083 0.000) 4.075 5.157 ( 1.761 -0.043 0.000) 1.761 5.284 ( -2.978 0.058 0.000) 2.978 5.338 ( -2.031 0.008 0.000) 2.031 5.961 ( -7.201 1.659 0.000) 7.389 6.082 ( -2.249 0.821 0.000) 2.394 6.226 ( -5.116 -0.198 0.000) 5.120 6.403 ( 4.600 0.358 0.000) 4.614 ======================= Grid point 16 (10/129) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.505 0.203 0.000) 0.545 1.028 ( -3.324 -0.010 0.000) 3.324 1.282 ( 13.499 4.759 0.000) 14.313 1.530 ( 2.479 5.215 0.000) 5.774 1.635 ( -1.631 6.210 0.000) 6.421 1.704 ( -0.724 4.613 0.000) 4.670 1.720 ( 13.482 -0.014 0.000) 13.482 1.759 ( 2.339 -3.920 0.000) 4.565 1.770 ( 3.575 -3.547 0.000) 5.036 1.828 ( -2.010 -0.463 0.000) 2.063 1.860 ( -3.395 -7.221 0.000) 7.979 1.935 ( 7.135 0.225 0.000) 7.138 2.265 ( 11.150 -2.590 0.000) 11.447 2.448 ( 6.339 -0.643 0.000) 6.372 2.762 ( -5.051 -0.100 0.000) 5.052 3.039 ( 8.033 -0.204 0.000) 8.036 3.113 ( 15.974 0.090 0.000) 15.974 3.434 ( -4.695 -0.220 0.000) 4.700 3.474 ( 0.358 -0.203 0.000) 0.412 3.667 ( 0.969 0.016 0.000) 0.969 4.081 ( -1.794 -0.201 0.000) 1.806 4.098 ( -0.814 -0.114 0.000) 0.822 4.143 ( 6.375 0.070 0.000) 6.375 4.319 ( -11.922 -0.220 0.000) 11.924 4.332 ( -5.847 -0.022 0.000) 5.847 4.388 ( 3.714 -0.002 0.000) 3.714 4.905 ( -1.603 0.119 0.000) 1.608 4.907 ( 3.410 0.219 0.000) 3.417 5.106 ( 4.841 0.365 0.000) 4.855 5.123 ( -3.301 -0.333 0.000) 3.318 5.260 ( -0.367 0.048 0.000) 0.370 5.298 ( -2.168 -0.123 0.000) 2.171 5.820 ( -6.578 0.302 0.000) 6.585 6.025 ( -2.543 2.449 0.000) 3.530 6.141 ( -3.560 -0.331 0.000) 3.575 6.480 ( 3.246 0.678 0.000) 3.316 ======================= Grid point 17 (11/129) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 0.554 0.415 0.000) 0.693 0.967 ( -2.851 -0.380 0.000) 2.877 1.399 ( -5.011 7.628 0.000) 9.127 1.465 ( 4.166 4.524 0.000) 6.150 1.585 ( -1.212 4.696 0.000) 4.850 1.724 ( -2.454 -4.862 0.000) 5.446 1.772 ( 4.422 1.224 0.000) 4.589 1.800 ( -0.938 -0.427 0.000) 1.031 1.843 ( -0.407 -4.974 0.000) 4.991 1.905 ( 4.924 0.128 0.000) 4.926 1.925 ( 5.480 -3.286 0.000) 6.389 2.111 ( 10.259 0.074 0.000) 10.259 2.442 ( 5.556 -1.606 0.000) 5.783 2.548 ( 3.329 -0.111 0.000) 3.330 2.650 ( -6.168 -0.194 0.000) 6.171 3.145 ( 3.067 -0.233 0.000) 3.076 3.322 ( -5.584 -0.155 0.000) 5.586 3.331 ( 6.039 -0.004 0.000) 6.039 3.483 ( 0.576 0.025 0.000) 0.577 3.713 ( 3.201 0.114 0.000) 3.203 3.907 ( -10.411 -0.534 0.000) 10.425 4.079 ( -0.903 -0.061 0.000) 0.905 4.256 ( 0.999 0.129 0.000) 1.007 4.265 ( -1.413 -0.015 0.000) 1.413 4.302 ( 8.390 0.120 0.000) 8.391 4.489 ( 6.442 -0.072 0.000) 6.443 4.833 ( -5.346 0.112 0.000) 5.347 4.951 ( -0.902 -0.153 0.000) 0.915 5.056 ( 0.157 0.083 0.000) 0.178 5.227 ( 5.082 0.009 0.000) 5.082 5.235 ( -1.888 0.008 0.000) 1.888 5.259 ( -1.434 -0.110 0.000) 1.439 5.700 ( -5.314 0.073 0.000) 5.314 5.963 ( -2.400 1.853 0.000) 3.033 6.090 ( -1.684 -0.245 0.000) 1.702 6.521 ( 1.254 0.551 0.000) 1.370 ======================= Grid point 18 (12/129) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -0.592 0.312 0.000) 0.669 0.937 ( 0.609 -0.310 0.000) 0.683 1.276 ( -3.093 2.793 0.000) 4.167 1.464 ( -1.415 0.732 0.000) 1.593 1.510 ( -6.740 -4.343 0.000) 8.018 1.761 ( 3.767 1.768 0.000) 4.161 1.771 ( -3.059 -3.832 0.000) 4.903 1.796 ( 0.346 0.016 0.000) 0.346 1.915 ( 5.336 3.837 0.000) 6.572 1.946 ( -0.174 -0.012 0.000) 0.174 2.010 ( 1.728 -0.461 0.000) 1.789 2.244 ( -0.057 -0.000 0.000) 0.057 2.508 ( 0.828 -0.384 0.000) 0.912 2.567 ( 0.237 0.002 0.000) 0.237 2.579 ( -0.092 0.014 0.000) 0.093 3.177 ( 0.261 0.078 0.000) 0.273 3.261 ( 0.098 0.001 0.000) 0.098 3.383 ( 0.020 -0.003 0.000) 0.020 3.491 ( -0.172 -0.081 0.000) 0.190 3.751 ( -0.105 0.004 0.000) 0.105 3.800 ( 0.541 0.013 0.000) 0.541 4.070 ( 0.016 -0.002 0.000) 0.016 4.255 ( 0.033 0.000 0.000) 0.033 4.268 ( -0.128 0.019 0.000) 0.130 4.401 ( -0.151 -0.007 0.000) 0.151 4.593 ( 0.149 -0.004 0.000) 0.149 4.741 ( -0.170 0.004 0.000) 0.170 4.919 ( 0.302 0.002 0.000) 0.302 5.087 ( -0.137 0.004 0.000) 0.137 5.196 ( -0.024 0.004 0.000) 0.025 5.242 ( 0.144 -0.010 0.000) 0.144 5.297 ( 0.007 -0.005 0.000) 0.009 5.636 ( -0.070 0.003 0.000) 0.070 5.919 ( -1.370 0.009 0.000) 1.370 6.076 ( 0.182 0.000 0.000) 0.182 6.527 ( -0.418 0.000 0.000) 0.418 ======================= Grid point 19 (13/129) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.594 -0.445 0.000) 0.742 0.977 ( 2.714 0.407 0.000) 2.744 1.258 ( -0.441 -4.907 0.000) 4.927 1.361 ( -7.914 -4.866 0.000) 9.290 1.472 ( -0.340 -4.713 0.000) 4.725 1.689 ( -6.091 -4.227 0.000) 7.414 1.812 ( 1.433 0.604 0.000) 1.555 1.834 ( 3.533 4.147 0.000) 5.448 1.901 ( -4.835 -0.211 0.000) 4.840 1.972 ( 1.938 4.801 0.000) 5.178 1.996 ( -1.534 3.512 0.000) 3.832 2.109 ( -10.505 -0.099 0.000) 10.506 2.480 ( -3.536 1.583 0.000) 3.875 2.551 ( -2.647 0.141 0.000) 2.651 2.656 ( 6.231 0.271 0.000) 6.237 3.153 ( -2.792 0.445 0.000) 2.828 3.326 ( 5.824 0.210 0.000) 5.828 3.331 ( -6.107 0.005 0.000) 6.107 3.482 ( -0.397 -0.137 0.000) 0.419 3.710 ( -3.247 -0.150 0.000) 3.250 3.921 ( 10.667 0.707 0.000) 10.690 4.081 ( 1.059 0.073 0.000) 1.062 4.253 ( -0.930 -0.127 0.000) 0.939 4.266 ( 1.384 0.030 0.000) 1.384 4.299 ( -8.419 -0.175 0.000) 8.421 4.491 ( -6.473 0.091 0.000) 6.473 4.830 ( 5.278 -0.152 0.000) 5.280 4.955 ( 0.339 0.218 0.000) 0.403 5.054 ( 0.216 -0.091 0.000) 0.234 5.227 ( -4.584 0.010 0.000) 4.584 5.235 ( 1.043 -0.028 0.000) 1.043 5.262 ( 1.781 0.161 0.000) 1.789 5.699 ( 5.357 0.009 0.000) 5.357 5.910 ( -0.288 -2.697 0.000) 2.713 6.097 ( 2.044 0.359 0.000) 2.076 6.506 ( -1.984 -0.778 0.000) 2.131 ======================= Grid point 20 (14/129) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -0.108 -0.396 0.000) 0.410 1.029 ( 2.517 0.005 0.000) 2.517 1.146 ( -12.051 -6.692 0.000) 13.785 1.369 ( 1.316 -8.224 0.000) 8.329 1.504 ( 0.533 -5.524 0.000) 5.550 1.604 ( -3.124 -4.449 0.000) 5.436 1.721 ( -13.435 0.092 0.000) 13.435 1.840 ( -1.925 3.043 0.000) 3.601 1.844 ( 1.923 0.922 0.000) 2.133 1.882 ( -4.840 5.896 0.000) 7.628 1.927 ( -7.119 -0.510 0.000) 7.137 1.986 ( 0.216 4.241 0.000) 4.247 2.346 ( -8.342 4.263 0.000) 9.368 2.471 ( -5.048 1.335 0.000) 5.222 2.766 ( 4.897 0.207 0.000) 4.901 3.046 ( -8.196 0.442 0.000) 8.208 3.110 ( -16.188 -0.179 0.000) 16.189 3.442 ( 4.824 0.433 0.000) 4.843 3.481 ( 0.272 0.369 0.000) 0.459 3.667 ( -0.742 -0.031 0.000) 0.742 4.087 ( 1.361 0.344 0.000) 1.403 4.102 ( 0.818 0.224 0.000) 0.848 4.141 ( -6.257 -0.140 0.000) 6.258 4.327 ( 12.600 0.542 0.000) 12.612 4.332 ( 6.010 0.050 0.000) 6.010 4.388 ( -3.859 -0.001 0.000) 3.859 4.900 ( -3.860 -0.437 0.000) 3.885 4.901 ( 1.515 -0.239 0.000) 1.533 5.100 ( -4.328 -0.135 0.000) 4.331 5.129 ( 2.650 0.158 0.000) 2.654 5.259 ( 0.330 -0.040 0.000) 0.332 5.302 ( 2.041 0.168 0.000) 2.048 5.809 ( 4.697 -0.645 0.000) 4.741 5.939 ( 1.655 -4.976 0.000) 5.244 6.153 ( 3.877 0.771 0.000) 3.953 6.456 ( -3.664 -1.463 0.000) 3.946 ======================= Grid point 21 (15/129) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -2.000 0.851 0.000) 2.173 0.916 ( -13.871 -4.004 0.000) 14.438 1.075 ( 1.884 -1.580 0.000) 2.458 1.340 ( -6.333 -3.387 0.000) 7.181 1.419 ( -15.946 -0.524 0.000) 15.955 1.585 ( 2.613 -9.009 0.000) 9.380 1.625 ( -0.742 -4.794 0.000) 4.851 1.687 ( -8.491 6.205 0.000) 10.516 1.778 ( -4.887 2.081 0.000) 5.311 1.800 ( -5.427 -0.278 0.000) 5.434 1.887 ( 1.854 0.921 0.000) 2.070 1.946 ( -2.417 1.026 0.000) 2.626 2.141 ( -7.711 5.874 0.000) 9.693 2.349 ( -5.890 2.442 0.000) 6.376 2.734 ( -20.697 -0.375 0.000) 20.701 2.824 ( -13.682 0.107 0.000) 13.682 2.849 ( 3.619 -0.016 0.000) 3.619 3.482 ( 0.065 1.223 0.000) 1.225 3.484 ( -0.360 0.481 0.000) 0.600 3.673 ( 1.101 0.237 0.000) 1.126 4.025 ( -5.276 0.485 0.000) 5.298 4.079 ( -0.125 0.110 0.000) 0.167 4.107 ( -0.114 0.006 0.000) 0.114 4.326 ( -2.979 -0.198 0.000) 2.986 4.498 ( 10.012 0.371 0.000) 10.019 4.646 ( 16.390 0.519 0.000) 16.398 4.841 ( -2.138 -0.963 0.000) 2.345 4.892 ( -2.348 -0.353 0.000) 2.375 5.004 ( -3.986 -0.239 0.000) 3.993 5.160 ( -1.807 0.177 0.000) 1.816 5.281 ( 2.897 -0.171 0.000) 2.902 5.337 ( 1.596 -0.170 0.000) 1.605 5.854 ( -2.362 -7.924 0.000) 8.268 6.055 ( 8.170 -1.129 0.000) 8.248 6.238 ( 4.898 0.949 0.000) 4.989 6.382 ( -4.178 -1.539 0.000) 4.452 ======================= Grid point 22 (16/129) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -14.183 0.225 0.000) 14.185 0.746 ( -10.970 3.378 0.000) 11.478 1.124 ( -0.234 -3.755 0.000) 3.762 1.161 ( -7.373 -1.977 0.000) 7.633 1.194 ( -10.734 3.967 0.000) 11.444 1.380 ( -15.585 2.412 0.000) 15.771 1.510 ( -8.810 4.767 0.000) 10.017 1.638 ( -2.689 -6.230 0.000) 6.786 1.707 ( -3.776 0.502 0.000) 3.810 1.799 ( 3.981 -3.804 0.000) 5.506 1.896 ( -1.790 0.578 0.000) 1.881 1.910 ( -1.114 -2.865 0.000) 3.074 2.042 ( -0.169 2.408 0.000) 2.414 2.230 ( -4.416 2.051 0.000) 4.869 2.354 ( -16.000 -0.314 0.000) 16.003 2.539 ( -14.121 -0.045 0.000) 14.121 2.911 ( 2.570 -0.225 0.000) 2.580 3.440 ( -3.267 0.356 0.000) 3.286 3.465 ( -1.103 1.866 0.000) 2.167 3.703 ( 2.118 0.367 0.000) 2.150 3.909 ( -5.518 0.338 0.000) 5.528 4.103 ( -0.247 -0.381 0.000) 0.454 4.113 ( 3.030 0.444 0.000) 3.062 4.247 ( -5.760 -0.317 0.000) 5.769 4.686 ( 8.592 0.584 0.000) 8.612 4.797 ( -1.231 -3.097 0.000) 3.333 4.831 ( -3.384 -0.443 0.000) 3.413 4.919 ( 7.265 0.443 0.000) 7.278 4.953 ( -0.401 0.219 0.000) 0.457 5.083 ( -4.950 0.125 0.000) 4.952 5.351 ( 3.290 -0.152 0.000) 3.294 5.378 ( 2.462 -1.365 0.000) 2.815 5.811 ( -8.603 -16.771 0.000) 18.849 6.249 ( 11.614 3.096 0.000) 12.020 6.277 ( -2.737 -1.944 0.000) 3.357 6.368 ( 4.297 1.813 0.000) 4.664 ======================= Grid point 23 (17/129) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( -12.106 6.684 0.000) 13.828 0.427 ( -17.611 4.256 0.000) 18.118 0.752 ( -24.889 13.189 0.000) 28.168 1.031 ( -3.893 -1.337 0.000) 4.116 1.214 ( 3.044 -4.838 0.000) 5.716 1.220 ( -2.813 -0.009 0.000) 2.813 1.322 ( -6.957 4.667 0.000) 8.377 1.579 ( -4.872 -3.681 0.000) 6.107 1.649 ( -1.681 1.203 0.000) 2.067 1.769 ( -9.332 0.064 0.000) 9.332 1.879 ( 3.275 -0.546 0.000) 3.321 1.938 ( 1.108 -4.967 0.000) 5.089 2.061 ( 2.019 2.123 0.000) 2.930 2.178 ( -2.606 0.087 0.000) 2.608 2.180 ( 0.479 -0.151 0.000) 0.502 2.306 ( -7.816 0.989 0.000) 7.879 2.952 ( 1.381 -0.290 0.000) 1.411 3.374 ( -2.755 0.130 0.000) 2.758 3.421 ( -2.018 1.451 0.000) 2.486 3.757 ( 3.688 0.212 0.000) 3.694 3.826 ( -2.620 0.002 0.000) 2.620 4.099 ( -8.628 -0.142 0.000) 8.630 4.102 ( -0.109 -0.581 0.000) 0.592 4.171 ( 2.593 0.609 0.000) 2.663 4.766 ( -7.448 -10.600 0.000) 12.955 4.782 ( -1.351 -0.523 0.000) 1.448 4.816 ( 4.414 0.611 0.000) 4.456 4.931 ( -0.181 0.159 0.000) 0.241 4.980 ( -3.618 -0.050 0.000) 3.618 5.017 ( 0.686 0.587 0.000) 0.903 5.388 ( -8.373 -11.356 0.000) 14.109 5.405 ( -0.617 -2.641 0.000) 2.712 5.686 ( -12.840 -20.668 0.000) 24.332 6.231 ( -2.198 -1.845 0.000) 2.870 6.446 ( 3.644 2.137 0.000) 4.224 6.470 ( 13.609 7.620 0.000) 15.597 ======================= Grid point 24 (18/129) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.106 ( 0.000 10.010 0.000) 10.010 0.174 ( 0.000 16.377 0.000) 16.377 0.262 ( 0.000 24.670 0.000) 24.670 0.997 ( -0.000 -0.660 0.000) 0.660 1.199 ( 0.000 2.912 0.000) 2.912 1.221 ( 0.000 0.996 0.000) 0.996 1.278 ( -0.000 -4.165 0.000) 4.165 1.517 ( -0.000 -1.905 0.000) 1.905 1.626 ( 0.000 1.253 0.000) 1.253 1.653 ( 0.000 0.081 0.000) 0.081 1.924 ( -0.000 -0.869 0.000) 0.869 2.012 ( -0.000 -4.720 0.000) 4.720 2.096 ( 0.000 0.689 0.000) 0.689 2.164 ( 0.000 0.134 0.000) 0.134 2.165 ( 0.000 0.305 0.000) 0.305 2.511 ( -0.000 -3.655 0.000) 3.655 2.967 ( -0.000 -0.223 0.000) 0.223 3.344 ( 0.000 0.022 0.000) 0.022 3.387 ( 0.000 0.020 0.000) 0.020 3.803 ( -0.000 -0.004 0.000) 0.004 3.820 ( -0.000 -0.070 0.000) 0.070 3.979 ( 0.000 0.137 0.000) 0.137 3.983 ( 0.000 0.146 0.000) 0.146 4.104 ( -0.000 -0.485 0.000) 0.485 4.196 ( 0.000 0.625 0.000) 0.625 4.772 ( -0.000 -0.397 0.000) 0.397 4.858 ( 0.000 0.440 0.000) 0.440 4.931 ( 0.000 0.108 0.000) 0.108 4.938 ( 0.000 0.816 0.000) 0.816 5.018 ( 0.000 0.076 0.000) 0.076 5.047 ( 0.000 0.081 0.000) 0.081 5.419 ( -0.000 -0.032 0.000) 0.032 5.629 ( -0.000 -2.251 0.000) 2.251 6.218 ( -0.000 -1.356 0.000) 1.356 6.473 ( 0.000 1.687 0.000) 1.687 6.679 ( -0.000 -0.039 0.000) 0.039 ======================= Grid point 27 (19/129) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 0.565 -0.000 0.000) 0.565 1.028 ( -3.444 0.000 0.000) 3.444 1.309 ( 13.714 -0.000 0.000) 13.714 1.558 ( 4.280 -0.000 0.000) 4.280 1.683 ( -0.086 0.000 0.000) 0.086 1.711 ( -1.539 0.000 0.000) 1.539 1.720 ( 13.495 -0.000 0.000) 13.495 1.749 ( 2.806 -0.000 0.000) 2.806 1.766 ( 1.406 -0.000 0.000) 1.406 1.796 ( -5.169 0.000 0.000) 5.169 1.826 ( -2.042 0.000 0.000) 2.042 1.936 ( 7.145 -0.000 0.000) 7.145 2.251 ( 11.725 -0.000 0.000) 11.725 2.444 ( 6.540 -0.000 0.000) 6.540 2.761 ( -5.075 0.000 0.000) 5.075 3.038 ( 8.013 -0.000 0.000) 8.013 3.114 ( 15.941 -0.000 0.000) 15.941 3.433 ( -4.674 0.000 0.000) 4.674 3.473 ( 0.453 -0.000 0.000) 0.453 3.667 ( 1.004 -0.000 0.000) 1.004 4.080 ( -1.871 0.000 0.000) 1.871 4.097 ( -0.814 0.000 0.000) 0.814 4.143 ( 6.395 -0.000 0.000) 6.395 4.317 ( -11.818 0.000 0.000) 11.818 4.332 ( -5.822 0.000 0.000) 5.822 4.388 ( 3.691 -0.000 0.000) 3.691 4.906 ( -1.617 0.000 0.000) 1.617 4.909 ( 3.345 -0.000 0.000) 3.345 5.109 ( 5.917 -0.000 0.000) 5.917 5.121 ( -4.405 0.000 0.000) 4.405 5.260 ( -0.370 0.000 0.000) 0.370 5.297 ( -2.183 0.000 0.000) 2.183 5.822 ( -6.754 0.000 0.000) 6.754 6.038 ( -2.796 0.000 0.000) 2.796 6.139 ( -3.520 0.000 0.000) 3.520 6.484 ( 3.190 -0.000 0.000) 3.190 ======================= Grid point 28 (20/129) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 0.645 0.166 0.000) 0.666 0.964 ( -2.991 -0.153 0.000) 2.995 1.472 ( -4.744 5.618 0.000) 7.353 1.499 ( 0.675 0.986 0.000) 1.195 1.614 ( -5.891 0.435 0.000) 5.907 1.689 ( 0.898 -0.864 0.000) 1.247 1.750 ( -0.160 -3.303 0.000) 3.307 1.797 ( -0.807 -0.155 0.000) 0.821 1.829 ( 6.411 0.854 0.000) 6.468 1.896 ( 6.355 -1.865 0.000) 6.623 1.906 ( 4.954 0.045 0.000) 4.954 2.111 ( 10.192 0.027 0.000) 10.192 2.430 ( 6.063 -0.643 0.000) 6.097 2.548 ( 3.504 -0.042 0.000) 3.505 2.649 ( -6.152 -0.070 0.000) 6.152 3.144 ( 3.154 -0.076 0.000) 3.155 3.320 ( -5.518 -0.057 0.000) 5.518 3.331 ( 6.019 -0.002 0.000) 6.019 3.483 ( 0.610 0.002 0.000) 0.610 3.714 ( 3.190 0.042 0.000) 3.190 3.903 ( -10.333 -0.196 0.000) 10.335 4.079 ( -0.860 -0.023 0.000) 0.860 4.257 ( 1.007 0.051 0.000) 1.008 4.265 ( -1.423 -0.005 0.000) 1.423 4.303 ( 8.388 0.043 0.000) 8.388 4.489 ( 6.434 -0.027 0.000) 6.434 4.834 ( -5.364 0.041 0.000) 5.364 4.950 ( -1.044 -0.055 0.000) 1.046 5.057 ( 0.237 0.032 0.000) 0.239 5.227 ( 5.275 -0.001 0.000) 5.275 5.235 ( -2.225 0.011 0.000) 2.225 5.259 ( -1.294 -0.044 0.000) 1.294 5.700 ( -5.341 0.032 0.000) 5.341 5.976 ( -3.062 0.670 0.000) 3.135 6.089 ( -1.596 -0.088 0.000) 1.598 6.525 ( 1.067 0.200 0.000) 1.086 ======================= Grid point 29 (21/129) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -1.398 0.423 0.000) 1.460 0.933 ( 1.427 -0.421 0.000) 1.488 1.318 ( -5.593 4.983 0.000) 7.491 1.445 ( -6.388 -5.707 0.000) 8.566 1.482 ( -5.724 0.638 0.000) 5.760 1.723 ( -3.731 -3.620 0.000) 5.199 1.792 ( 6.230 2.300 0.000) 6.641 1.796 ( 0.599 0.016 0.000) 0.600 1.946 ( -0.302 -0.012 0.000) 0.302 1.950 ( 5.697 2.364 0.000) 6.168 2.004 ( 3.492 -0.456 0.000) 3.522 2.244 ( -0.099 -0.000 0.000) 0.099 2.504 ( 1.433 -0.388 0.000) 1.485 2.567 ( 0.410 0.002 0.000) 0.410 2.579 ( -0.150 0.009 0.000) 0.150 3.178 ( 0.454 0.078 0.000) 0.460 3.261 ( 0.169 0.001 0.000) 0.169 3.383 ( 0.034 -0.003 0.000) 0.034 3.490 ( -0.298 -0.081 0.000) 0.309 3.751 ( -0.181 0.004 0.000) 0.181 3.800 ( 0.935 0.013 0.000) 0.935 4.070 ( 0.027 -0.002 0.000) 0.027 4.255 ( 0.058 0.000 0.000) 0.058 4.268 ( -0.221 0.019 0.000) 0.222 4.400 ( -0.261 -0.007 0.000) 0.261 4.593 ( 0.258 -0.004 0.000) 0.258 4.741 ( -0.294 0.004 0.000) 0.294 4.919 ( 0.523 0.002 0.000) 0.523 5.087 ( -0.238 0.004 0.000) 0.238 5.196 ( -0.043 0.004 0.000) 0.043 5.242 ( 0.249 -0.010 0.000) 0.249 5.297 ( 0.013 -0.005 0.000) 0.013 5.636 ( -0.121 0.003 0.000) 0.121 5.919 ( -2.372 0.009 0.000) 2.372 6.076 ( 0.316 0.000 0.000) 0.316 6.527 ( -0.723 0.000 0.000) 0.723 ======================= Grid point 30 (22/129) ======================= q-point: (-0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -0.729 -0.300 0.000) 0.789 0.980 ( 2.769 0.276 0.000) 2.783 1.219 ( -4.702 -2.504 0.000) 5.327 1.313 ( -7.019 -4.031 0.000) 8.094 1.432 ( -1.040 -2.800 0.000) 2.987 1.649 ( -5.330 -3.144 0.000) 6.188 1.818 ( 1.668 0.453 0.000) 1.729 1.870 ( 2.706 2.512 0.000) 3.692 1.899 ( -4.811 -0.170 0.000) 4.814 2.008 ( 0.595 2.411 0.000) 2.483 2.033 ( 0.887 3.120 0.000) 3.244 2.108 ( -10.618 -0.072 0.000) 10.619 2.494 ( -2.474 0.983 0.000) 2.662 2.553 ( -2.328 0.106 0.000) 2.330 2.658 ( 6.261 0.201 0.000) 6.264 3.157 ( -2.692 0.371 0.000) 2.717 3.328 ( 5.933 0.153 0.000) 5.935 3.331 ( -6.135 0.003 0.000) 6.135 3.480 ( -0.285 -0.137 0.000) 0.316 3.708 ( -3.270 -0.108 0.000) 3.271 3.928 ( 10.764 0.507 0.000) 10.776 4.081 ( 1.130 0.049 0.000) 1.131 4.252 ( -0.875 -0.074 0.000) 0.878 4.266 ( 1.374 0.025 0.000) 1.374 4.297 ( -8.444 -0.132 0.000) 8.445 4.492 ( -6.488 0.065 0.000) 6.488 4.829 ( 5.245 -0.111 0.000) 5.246 4.957 ( 0.057 0.163 0.000) 0.172 5.053 ( 0.436 -0.057 0.000) 0.440 5.227 ( -4.959 0.044 0.000) 4.960 5.234 ( 1.356 -0.069 0.000) 1.358 5.264 ( 1.850 0.137 0.000) 1.855 5.699 ( 5.526 0.070 0.000) 5.526 5.885 ( -1.729 -2.061 0.000) 2.690 6.101 ( 2.232 0.273 0.000) 2.248 6.498 ( -2.343 -0.579 0.000) 2.414 ======================= Grid point 31 (23/129) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 0.132 -0.338 0.000) 0.363 1.029 ( 2.026 -0.003 0.000) 2.026 1.082 ( -10.545 -5.204 0.000) 11.759 1.290 ( 0.229 -6.524 0.000) 6.528 1.453 ( 0.962 -4.189 0.000) 4.298 1.562 ( -4.282 -3.407 0.000) 5.472 1.722 ( -13.415 0.103 0.000) 13.416 1.854 ( 1.997 0.837 0.000) 2.166 1.867 ( -1.918 2.005 0.000) 2.775 1.921 ( -7.204 -0.503 0.000) 7.222 1.940 ( -4.462 5.048 0.000) 6.737 2.020 ( -1.505 2.183 0.000) 2.651 2.388 ( -7.142 3.423 0.000) 7.920 2.484 ( -4.317 1.174 0.000) 4.474 2.768 ( 4.808 0.182 0.000) 4.811 3.051 ( -8.317 0.401 0.000) 8.326 3.108 ( -16.313 -0.154 0.000) 16.314 3.446 ( 4.896 0.372 0.000) 4.910 3.485 ( 0.649 0.302 0.000) 0.716 3.666 ( -0.612 -0.026 0.000) 0.613 4.090 ( 1.163 0.267 0.000) 1.193 4.104 ( 0.825 0.192 0.000) 0.847 4.139 ( -6.197 -0.121 0.000) 6.199 4.333 ( 6.103 0.047 0.000) 6.103 4.333 ( 12.997 0.526 0.000) 13.008 4.388 ( -3.941 -0.004 0.000) 3.941 4.895 ( -4.146 -0.379 0.000) 4.163 4.898 ( 1.461 -0.208 0.000) 1.476 5.100 ( -4.847 0.100 0.000) 4.848 5.130 ( 3.120 -0.030 0.000) 3.121 5.259 ( 0.302 -0.018 0.000) 0.302 5.303 ( 1.936 0.125 0.000) 1.940 5.802 ( 2.080 -0.653 0.000) 2.180 5.889 ( 2.672 -4.292 0.000) 5.056 6.161 ( 4.130 0.740 0.000) 4.196 6.440 ( -3.974 -1.339 0.000) 4.193 ======================= Grid point 32 (24/129) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -0.709 0.869 0.000) 1.121 0.886 ( -10.940 -1.534 0.000) 11.046 1.058 ( 0.621 -1.583 0.000) 1.701 1.298 ( -3.627 -4.723 0.000) 5.955 1.413 ( -16.731 -0.559 0.000) 16.741 1.497 ( 0.395 -7.193 0.000) 7.204 1.566 ( 1.613 -5.894 0.000) 6.110 1.754 ( -7.891 6.147 0.000) 10.003 1.798 ( -5.132 -0.122 0.000) 5.134 1.808 ( -6.035 3.240 0.000) 6.849 1.896 ( 1.825 0.783 0.000) 1.986 1.951 ( -4.367 -0.127 0.000) 4.369 2.197 ( -8.605 4.612 0.000) 9.763 2.374 ( -5.689 2.232 0.000) 6.111 2.730 ( -20.775 -0.369 0.000) 20.778 2.825 ( -13.844 0.133 0.000) 13.844 2.849 ( 3.485 -0.024 0.000) 3.485 3.489 ( -0.362 0.478 0.000) 0.600 3.495 ( 0.564 1.185 0.000) 1.312 3.675 ( 1.237 0.235 0.000) 1.259 4.030 ( -5.110 0.540 0.000) 5.138 4.080 ( 0.070 0.105 0.000) 0.126 4.107 ( -0.321 0.006 0.000) 0.321 4.324 ( -3.093 -0.196 0.000) 3.100 4.502 ( 10.211 0.366 0.000) 10.217 4.653 ( 16.168 0.784 0.000) 16.186 4.829 ( -2.553 -1.199 0.000) 2.821 4.888 ( -2.429 -0.359 0.000) 2.455 5.002 ( -3.952 -0.171 0.000) 3.955 5.162 ( -1.843 0.176 0.000) 1.852 5.280 ( 2.843 -0.149 0.000) 2.847 5.335 ( 1.263 -0.259 0.000) 1.289 5.767 ( -6.536 -8.192 0.000) 10.480 6.045 ( 10.057 -0.757 0.000) 10.085 6.250 ( 4.818 1.242 0.000) 4.976 6.364 ( -3.943 -1.827 0.000) 4.346 ======================= Grid point 33 (25/129) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -9.551 4.803 0.000) 10.691 0.788 ( -9.402 4.550 0.000) 10.445 1.081 ( -0.258 -4.262 0.000) 4.270 1.134 ( -9.517 -3.047 0.000) 9.993 1.220 ( -5.281 1.123 0.000) 5.399 1.410 ( -16.201 1.236 0.000) 16.248 1.548 ( -5.795 1.778 0.000) 6.062 1.586 ( -3.561 -1.742 0.000) 3.964 1.713 ( -3.277 0.609 0.000) 3.333 1.760 ( 3.331 -3.039 0.000) 4.509 1.881 ( -2.925 -2.768 0.000) 4.027 1.902 ( -2.048 0.612 0.000) 2.137 2.064 ( -2.259 1.589 0.000) 2.762 2.250 ( -5.409 1.628 0.000) 5.649 2.350 ( -15.867 -0.382 0.000) 15.872 2.539 ( -14.068 -0.005 0.000) 14.068 2.908 ( 2.459 -0.270 0.000) 2.474 3.444 ( -3.352 0.416 0.000) 3.377 3.485 ( -0.885 2.007 0.000) 2.193 3.707 ( 2.149 0.420 0.000) 2.189 3.913 ( -5.752 0.459 0.000) 5.770 4.099 ( -0.477 -0.440 0.000) 0.649 4.118 ( 3.250 0.543 0.000) 3.295 4.243 ( -5.778 -0.353 0.000) 5.788 4.693 ( 8.673 0.659 0.000) 8.698 4.761 ( -3.564 -3.707 0.000) 5.143 4.825 ( -3.460 -0.531 0.000) 3.500 4.923 ( 5.980 0.222 0.000) 5.984 4.956 ( 0.928 0.355 0.000) 0.994 5.084 ( -4.919 0.106 0.000) 4.920 5.349 ( 3.304 -0.204 0.000) 3.310 5.362 ( 0.871 -1.517 0.000) 1.750 5.641 ( -12.072 -14.964 0.000) 19.226 6.258 ( -3.343 -1.641 0.000) 3.724 6.273 ( 12.937 1.558 0.000) 13.030 6.386 ( 5.206 1.503 0.000) 5.419 ======================= Grid point 34 (26/129) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -5.815 12.697 0.000) 13.965 0.481 ( -16.315 5.923 0.000) 17.357 0.898 ( -20.509 13.696 0.000) 24.662 1.012 ( -3.493 -2.195 0.000) 4.126 1.153 ( 2.186 -6.471 0.000) 6.830 1.227 ( -1.245 1.213 0.000) 1.738 1.377 ( -7.304 5.712 0.000) 9.272 1.532 ( -4.797 -5.015 0.000) 6.939 1.663 ( -1.364 1.352 0.000) 1.920 1.770 ( -9.430 0.105 0.000) 9.431 1.862 ( 3.549 -3.775 0.000) 5.181 1.882 ( 1.393 -4.395 0.000) 4.611 2.081 ( 2.833 1.451 0.000) 3.183 2.173 ( -0.561 -1.301 0.000) 1.417 2.179 ( -2.460 0.062 0.000) 2.460 2.313 ( -6.848 0.212 0.000) 6.852 2.948 ( 1.339 -0.408 0.000) 1.400 3.376 ( -2.864 0.183 0.000) 2.870 3.437 ( -2.656 1.491 0.000) 3.046 3.760 ( 3.539 0.295 0.000) 3.552 3.826 ( -2.687 -0.003 0.000) 2.687 4.095 ( -0.241 -0.796 0.000) 0.832 4.098 ( -8.444 -0.178 0.000) 8.446 4.178 ( 2.671 0.827 0.000) 2.796 4.622 ( -20.784 -15.219 0.000) 25.760 4.776 ( -1.424 -0.649 0.000) 1.565 4.823 ( 4.444 0.726 0.000) 4.503 4.933 ( -0.009 0.164 0.000) 0.164 4.983 ( -2.867 0.607 0.000) 2.930 5.023 ( 0.322 0.517 0.000) 0.609 5.248 ( -17.990 -10.482 0.000) 20.821 5.401 ( 1.706 -0.119 0.000) 1.710 5.554 ( -0.445 -7.743 0.000) 7.755 6.210 ( -2.150 -2.042 0.000) 2.965 6.471 ( 3.814 2.458 0.000) 4.538 6.522 ( 12.757 2.960 0.000) 13.096 ======================= Grid point 35 (27/129) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.210 ( 0.000 9.571 0.000) 9.571 0.343 ( 0.000 15.557 0.000) 15.557 0.517 ( 0.000 23.635 0.000) 23.635 0.986 ( -0.000 -1.362 0.000) 1.362 1.219 ( -0.000 -6.748 0.000) 6.748 1.236 ( 0.000 1.774 0.000) 1.774 1.243 ( 0.000 5.413 0.000) 5.413 1.488 ( -0.000 -3.616 0.000) 3.616 1.642 ( 0.000 1.645 0.000) 1.645 1.654 ( 0.000 0.141 0.000) 0.141 1.911 ( -0.000 -1.540 0.000) 1.540 1.949 ( -0.000 -6.916 0.000) 6.916 2.097 ( -0.000 -0.542 0.000) 0.542 2.165 ( 0.000 0.184 0.000) 0.184 2.169 ( 0.000 0.500 0.000) 0.500 2.455 ( -0.000 -6.849 0.000) 6.849 2.964 ( -0.000 -0.395 0.000) 0.395 3.345 ( 0.000 0.039 0.000) 0.039 3.387 ( 0.000 0.035 0.000) 0.035 3.803 ( -0.000 -0.013 0.000) 0.013 3.819 ( -0.000 -0.097 0.000) 0.097 3.981 ( 0.000 0.236 0.000) 0.236 3.985 ( 0.000 0.251 0.000) 0.251 4.097 ( -0.000 -0.843 0.000) 0.843 4.205 ( 0.000 1.154 0.000) 1.154 4.767 ( -0.000 -0.661 0.000) 0.661 4.864 ( 0.000 0.701 0.000) 0.701 4.933 ( 0.000 0.326 0.000) 0.326 4.949 ( 0.000 1.270 0.000) 1.270 5.019 ( 0.000 0.131 0.000) 0.131 5.048 ( 0.000 0.140 0.000) 0.140 5.419 ( -0.000 -0.051 0.000) 0.051 5.595 ( -0.000 -3.991 0.000) 3.991 6.199 ( -0.000 -1.981 0.000) 1.981 6.497 ( 0.000 2.568 0.000) 2.568 6.678 ( -0.000 -0.063 0.000) 0.063 ======================= Grid point 40 (28/129) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -2.126 0.000 0.000) 2.126 0.930 ( 2.160 -0.000 0.000) 2.160 1.372 ( -5.684 0.000 0.000) 5.684 1.385 ( -8.769 0.000 0.000) 8.769 1.488 ( -5.472 0.000 0.000) 5.472 1.702 ( -3.232 0.000 0.000) 3.232 1.796 ( 0.693 -0.000 0.000) 0.693 1.805 ( 6.342 -0.000 0.000) 6.342 1.946 ( -0.349 0.000 0.000) 0.349 1.962 ( 5.318 -0.000 0.000) 5.318 2.002 ( 4.552 -0.000 0.000) 4.552 2.244 ( -0.114 0.000 0.000) 0.114 2.502 ( 1.656 -0.000 0.000) 1.656 2.567 ( 0.474 -0.000 0.000) 0.474 2.579 ( -0.169 0.000 0.000) 0.169 3.178 ( 0.524 -0.000 0.000) 0.524 3.261 ( 0.196 -0.000 0.000) 0.196 3.383 ( 0.040 -0.000 0.000) 0.040 3.489 ( -0.344 0.000 0.000) 0.344 3.751 ( -0.209 0.000 0.000) 0.209 3.800 ( 1.079 -0.000 0.000) 1.079 4.070 ( 0.031 -0.000 0.000) 0.031 4.255 ( 0.067 -0.000 0.000) 0.067 4.268 ( -0.255 0.000 0.000) 0.255 4.400 ( -0.301 0.000 0.000) 0.301 4.593 ( 0.297 -0.000 0.000) 0.297 4.741 ( -0.339 0.000 0.000) 0.339 4.919 ( 0.604 -0.000 0.000) 0.604 5.087 ( -0.274 0.000 0.000) 0.274 5.196 ( -0.050 0.000 0.000) 0.050 5.242 ( 0.288 -0.000 0.000) 0.288 5.297 ( 0.015 -0.000 0.000) 0.015 5.636 ( -0.140 0.000 0.000) 0.140 5.919 ( -2.739 0.000 0.000) 2.739 6.076 ( 0.365 -0.000 0.000) 0.365 6.527 ( -0.835 0.000 0.000) 0.835 ======================= Grid point 41 (29/129) ======================= q-point: (-0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -0.830 -0.105 0.000) 0.837 0.982 ( 2.824 0.097 0.000) 2.826 1.203 ( -8.710 -0.592 0.000) 8.730 1.281 ( -4.495 -1.727 0.000) 4.815 1.413 ( -1.978 -0.882 0.000) 2.165 1.626 ( -4.751 -1.168 0.000) 4.892 1.821 ( 1.809 0.168 0.000) 1.817 1.887 ( 2.092 0.817 0.000) 2.246 1.898 ( -4.803 -0.066 0.000) 4.804 2.026 ( 1.075 0.832 0.000) 1.359 2.056 ( 0.980 1.124 0.000) 1.491 2.107 ( -10.684 -0.026 0.000) 10.684 2.500 ( -1.808 0.325 0.000) 1.837 2.553 ( -2.145 0.040 0.000) 2.145 2.660 ( 6.278 0.074 0.000) 6.279 3.160 ( -2.641 0.146 0.000) 2.645 3.329 ( 6.004 0.056 0.000) 6.005 3.331 ( -6.159 0.001 0.000) 6.159 3.479 ( -0.212 -0.058 0.000) 0.220 3.708 ( -3.283 -0.039 0.000) 3.283 3.931 ( 10.814 0.183 0.000) 10.815 4.082 ( 1.170 0.017 0.000) 1.170 4.251 ( -0.835 -0.023 0.000) 0.835 4.266 ( 1.369 0.010 0.000) 1.369 4.296 ( -8.463 -0.049 0.000) 8.463 4.492 ( -6.497 0.023 0.000) 6.497 4.828 ( 5.226 -0.040 0.000) 5.226 4.958 ( -0.112 0.060 0.000) 0.127 5.053 ( 0.580 -0.018 0.000) 0.581 5.228 ( -5.694 0.031 0.000) 5.694 5.234 ( 2.080 -0.044 0.000) 2.080 5.265 ( 1.867 0.055 0.000) 1.868 5.700 ( 5.709 0.045 0.000) 5.710 5.869 ( -2.663 -0.779 0.000) 2.774 6.103 ( 2.346 0.102 0.000) 2.348 6.494 ( -2.557 -0.214 0.000) 2.566 ======================= Grid point 42 (30/129) ======================= q-point: (-0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 0.313 -0.193 0.000) 0.368 1.029 ( 1.654 -0.004 0.000) 1.654 1.039 ( -8.903 -2.833 0.000) 9.343 1.236 ( -1.436 -3.597 0.000) 3.873 1.418 ( 1.393 -2.287 0.000) 2.678 1.534 ( -4.907 -1.836 0.000) 5.239 1.723 ( -13.395 0.067 0.000) 13.396 1.861 ( 2.188 0.523 0.000) 2.250 1.883 ( -1.864 0.983 0.000) 2.107 1.917 ( -7.400 -0.337 0.000) 7.407 1.986 ( -3.876 3.503 0.000) 5.224 2.032 ( -2.955 0.232 0.000) 2.964 2.416 ( -6.384 1.889 0.000) 6.658 2.494 ( -3.793 0.683 0.000) 3.854 2.769 ( 4.742 0.106 0.000) 4.743 3.054 ( -8.418 0.240 0.000) 8.421 3.107 ( -16.405 -0.089 0.000) 16.406 3.450 ( 4.948 0.213 0.000) 4.953 3.487 ( 0.932 0.166 0.000) 0.947 3.666 ( -0.518 -0.015 0.000) 0.519 4.093 ( 1.046 0.141 0.000) 1.056 4.106 ( 0.832 0.110 0.000) 0.839 4.138 ( -6.159 -0.070 0.000) 6.159 4.333 ( 6.164 0.028 0.000) 6.164 4.338 ( 13.301 0.329 0.000) 13.305 4.388 ( -4.001 -0.004 0.000) 4.001 4.892 ( -4.370 -0.220 0.000) 4.375 4.897 ( 1.421 -0.121 0.000) 1.426 5.102 ( -5.654 0.188 0.000) 5.658 5.129 ( 3.911 -0.125 0.000) 3.913 5.258 ( 0.281 -0.005 0.000) 0.281 5.304 ( 1.842 0.068 0.000) 1.843 5.796 ( -2.377 -0.528 0.000) 2.435 5.853 ( 5.951 -2.366 0.000) 6.404 6.168 ( 4.365 0.465 0.000) 4.389 6.429 ( -4.249 -0.811 0.000) 4.326 ======================= Grid point 43 (31/129) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -7.235 0.990 0.000) 7.303 0.890 ( 0.460 0.649 0.000) 0.796 1.043 ( -0.446 -1.163 0.000) 1.246 1.241 ( -1.408 -5.690 0.000) 5.862 1.407 ( -17.512 -0.431 0.000) 17.517 1.441 ( -2.453 -3.238 0.000) 4.062 1.508 ( 2.255 -4.873 0.000) 5.370 1.797 ( -4.890 -0.016 0.000) 4.890 1.809 ( -5.002 3.774 0.000) 6.267 1.845 ( -7.598 3.807 0.000) 8.499 1.903 ( 1.826 0.511 0.000) 1.896 1.943 ( -5.862 -1.334 0.000) 6.012 2.237 ( -9.476 2.942 0.000) 9.922 2.394 ( -5.684 1.519 0.000) 5.883 2.727 ( -20.854 -0.267 0.000) 20.855 2.826 ( -13.962 0.113 0.000) 13.963 2.848 ( 3.375 -0.022 0.000) 3.375 3.493 ( -0.362 0.348 0.000) 0.502 3.506 ( 0.971 0.845 0.000) 1.287 3.677 ( 1.353 0.170 0.000) 1.364 4.035 ( -4.931 0.435 0.000) 4.950 4.081 ( 0.255 0.074 0.000) 0.265 4.107 ( -0.500 0.004 0.000) 0.500 4.322 ( -3.188 -0.142 0.000) 3.192 4.505 ( 10.377 0.264 0.000) 10.380 4.661 ( 16.373 0.848 0.000) 16.395 4.816 ( -3.354 -1.133 0.000) 3.540 4.885 ( -2.501 -0.266 0.000) 2.516 5.000 ( -3.953 -0.069 0.000) 3.953 5.163 ( -1.885 0.114 0.000) 1.889 5.278 ( 2.801 -0.103 0.000) 2.803 5.332 ( 0.973 -0.230 0.000) 1.000 5.690 ( -9.242 -6.063 0.000) 11.054 6.039 ( 11.021 -0.445 0.000) 11.030 6.264 ( 5.056 1.343 0.000) 5.231 6.345 ( -4.043 -1.768 0.000) 4.413 ======================= Grid point 44 (32/129) ======================= q-point: (-0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -4.257 8.598 0.000) 9.594 0.840 ( -7.123 5.154 0.000) 8.793 1.037 ( -0.985 -3.862 0.000) 3.986 1.098 ( -11.677 -3.734 0.000) 12.260 1.221 ( -2.513 -1.182 0.000) 2.778 1.377 ( -9.307 -6.082 0.000) 11.118 1.562 ( -2.207 0.201 0.000) 2.216 1.603 ( -8.308 4.309 0.000) 9.359 1.719 ( -2.878 0.562 0.000) 2.932 1.745 ( -0.787 0.291 0.000) 0.839 1.851 ( -3.713 -3.042 0.000) 4.800 1.908 ( -2.263 0.485 0.000) 2.315 2.076 ( -4.227 0.706 0.000) 4.285 2.264 ( -6.460 0.981 0.000) 6.534 2.346 ( -15.755 -0.348 0.000) 15.759 2.539 ( -14.072 0.029 0.000) 14.072 2.905 ( 2.345 -0.242 0.000) 2.357 3.448 ( -3.434 0.364 0.000) 3.453 3.505 ( -0.748 1.625 0.000) 1.789 3.711 ( 2.181 0.361 0.000) 2.211 3.918 ( -6.024 0.472 0.000) 6.042 4.094 ( -0.708 -0.382 0.000) 0.805 4.124 ( 3.481 0.496 0.000) 3.517 4.240 ( -5.791 -0.295 0.000) 5.798 4.700 ( 8.758 0.560 0.000) 8.776 4.722 ( -6.661 -3.434 0.000) 7.495 4.820 ( -3.551 -0.478 0.000) 3.583 4.924 ( 4.969 0.028 0.000) 4.969 4.960 ( 2.288 0.370 0.000) 2.318 5.085 ( -4.925 0.007 0.000) 4.925 5.345 ( 1.484 -0.674 0.000) 1.630 5.349 ( 1.066 -0.620 0.000) 1.234 5.504 ( -12.335 -10.819 0.000) 16.407 6.243 ( -3.847 -1.183 0.000) 4.025 6.285 ( 13.641 0.764 0.000) 13.663 6.399 ( 6.016 1.076 0.000) 6.112 ======================= Grid point 45 (33/129) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -15.446 6.408 0.000) 16.723 0.618 ( -2.710 14.827 0.000) 15.073 0.986 ( -2.959 -2.716 0.000) 4.016 1.027 ( -15.135 10.062 0.000) 18.174 1.083 ( 1.424 -6.659 0.000) 6.810 1.244 ( -0.062 1.868 0.000) 1.869 1.440 ( -6.496 5.847 0.000) 8.740 1.481 ( -5.338 -4.195 0.000) 6.789 1.676 ( -1.134 1.166 0.000) 1.626 1.771 ( -9.539 0.122 0.000) 9.540 1.796 ( 1.762 -7.232 0.000) 7.443 1.855 ( 2.331 -2.005 0.000) 3.075 2.088 ( 3.777 -0.218 0.000) 3.784 2.155 ( -2.601 -1.964 0.000) 3.259 2.179 ( -2.306 -0.006 0.000) 2.306 2.311 ( -7.665 -0.509 0.000) 7.682 2.943 ( 1.290 -0.422 0.000) 1.357 3.378 ( -2.992 0.188 0.000) 2.998 3.451 ( -3.658 1.026 0.000) 3.799 3.763 ( 3.377 0.303 0.000) 3.390 3.825 ( -2.770 -0.010 0.000) 2.770 4.086 ( -0.394 -0.799 0.000) 0.891 4.096 ( -8.231 -0.160 0.000) 8.233 4.187 ( 2.533 0.720 0.000) 2.633 4.476 ( -25.905 -11.743 0.000) 28.442 4.769 ( -1.543 -0.632 0.000) 1.668 4.831 ( 4.507 0.660 0.000) 4.555 4.934 ( 0.195 0.097 0.000) 0.217 4.991 ( -2.287 0.923 0.000) 2.466 5.027 ( 0.151 0.360 0.000) 0.391 5.174 ( -12.909 -4.314 0.000) 13.611 5.400 ( 1.775 -0.100 0.000) 1.777 5.488 ( 2.663 -5.300 0.000) 5.932 6.190 ( -2.154 -1.711 0.000) 2.751 6.496 ( 4.071 2.147 0.000) 4.603 6.543 ( 11.911 1.266 0.000) 11.978 ======================= Grid point 46 (34/129) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( 0.000 8.660 0.000) 8.660 0.500 ( 0.000 14.034 0.000) 14.034 0.757 ( 0.000 21.617 0.000) 21.617 0.968 ( -0.000 -2.003 0.000) 2.003 1.143 ( -0.000 -7.498 0.000) 7.498 1.257 ( 0.000 2.139 0.000) 2.139 1.311 ( 0.000 7.243 0.000) 7.243 1.443 ( -0.000 -4.877 0.000) 4.877 1.655 ( 0.000 0.162 0.000) 0.162 1.659 ( 0.000 1.472 0.000) 1.472 1.868 ( -0.000 -8.355 0.000) 8.355 1.892 ( -0.000 -1.851 0.000) 1.851 2.086 ( -0.000 -1.450 0.000) 1.450 2.167 ( 0.000 0.136 0.000) 0.136 2.175 ( 0.000 0.541 0.000) 0.541 2.370 ( -0.000 -9.054 0.000) 9.054 2.959 ( -0.000 -0.470 0.000) 0.470 3.345 ( 0.000 0.046 0.000) 0.046 3.388 ( 0.000 0.042 0.000) 0.042 3.803 ( -0.000 -0.023 0.000) 0.023 3.818 ( -0.000 -0.075 0.000) 0.075 3.983 ( 0.000 0.272 0.000) 0.272 3.988 ( 0.000 0.289 0.000) 0.289 4.087 ( -0.000 -0.977 0.000) 0.977 4.219 ( 0.000 1.462 0.000) 1.462 4.759 ( -0.000 -0.746 0.000) 0.746 4.872 ( 0.000 0.737 0.000) 0.737 4.937 ( 0.000 0.386 0.000) 0.386 4.963 ( 0.000 1.459 0.000) 1.459 5.021 ( 0.000 0.152 0.000) 0.152 5.050 ( 0.000 0.161 0.000) 0.161 5.418 ( -0.000 -0.051 0.000) 0.051 5.548 ( -0.000 -4.778 0.000) 4.778 6.178 ( -0.000 -1.914 0.000) 1.914 6.525 ( 0.000 2.612 0.000) 2.612 6.677 ( -0.000 -0.067 0.000) 0.067 ======================= Grid point 53 (35/129) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 0.380 -0.000 0.000) 0.380 1.024 ( -8.154 0.000 0.000) 8.154 1.029 ( 1.515 -0.000 0.000) 1.515 1.217 ( -2.230 0.000 0.000) 2.230 1.406 ( 1.559 -0.000 0.000) 1.559 1.524 ( -5.097 0.000 0.000) 5.097 1.724 ( -13.386 0.000 0.000) 13.386 1.864 ( 2.321 -0.000 0.000) 2.321 1.888 ( -1.834 0.000 0.000) 1.834 1.915 ( -7.534 0.000 0.000) 7.534 2.008 ( -3.068 0.000 0.000) 3.068 2.030 ( -4.061 0.000 0.000) 4.061 2.426 ( -6.127 0.000 0.000) 6.127 2.498 ( -3.605 0.000 0.000) 3.605 2.770 ( 4.718 -0.000 0.000) 4.718 3.056 ( -8.457 0.000 0.000) 8.457 3.106 ( -16.439 0.000 0.000) 16.439 3.451 ( 4.967 -0.000 0.000) 4.967 3.488 ( 1.037 -0.000 0.000) 1.037 3.666 ( -0.484 0.000 0.000) 0.484 4.093 ( 1.010 -0.000 0.000) 1.010 4.106 ( 0.834 -0.000 0.000) 0.834 4.138 ( -6.145 0.000 0.000) 6.145 4.334 ( 6.187 -0.000 0.000) 6.187 4.339 ( 13.412 -0.000 0.000) 13.412 4.388 ( -4.023 0.000 0.000) 4.023 4.891 ( -4.455 0.000 0.000) 4.455 4.896 ( 1.406 -0.000 0.000) 1.406 5.103 ( -6.178 0.000 0.000) 6.178 5.128 ( 4.432 -0.000 0.000) 4.432 5.258 ( 0.273 -0.000 0.000) 0.273 5.305 ( 1.804 -0.000 0.000) 1.804 5.793 ( -5.255 0.000 0.000) 5.255 5.840 ( 8.396 -0.000 0.000) 8.396 6.170 ( 4.464 -0.000 0.000) 4.464 6.424 ( -4.364 0.000 0.000) 4.364 ======================= Grid point 55 (36/129) ======================= q-point: (-0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 1.158 0.241 0.000) 1.183 0.898 ( -4.158 1.136 0.000) 4.310 1.034 ( -1.051 -0.427 0.000) 1.135 1.191 ( -1.219 -2.950 0.000) 3.192 1.404 ( -18.007 -0.162 0.000) 18.008 1.424 ( -4.626 -0.338 0.000) 4.638 1.468 ( 3.296 -2.279 0.000) 4.007 1.798 ( -4.748 0.007 0.000) 4.748 1.833 ( -3.050 1.030 0.000) 3.219 1.886 ( -8.445 3.586 0.000) 9.175 1.907 ( 1.830 0.176 0.000) 1.838 1.923 ( -6.797 -2.435 0.000) 7.220 2.258 ( -9.988 1.012 0.000) 10.039 2.405 ( -5.737 0.534 0.000) 5.762 2.725 ( -20.904 -0.097 0.000) 20.904 2.827 ( -14.022 0.045 0.000) 14.022 2.848 ( 3.313 -0.009 0.000) 3.313 3.496 ( -0.361 0.127 0.000) 0.383 3.512 ( 1.196 0.305 0.000) 1.234 3.679 ( 1.420 0.062 0.000) 1.421 4.039 ( -4.812 0.169 0.000) 4.815 4.082 ( 0.370 0.026 0.000) 0.371 4.107 ( -0.603 0.002 0.000) 0.603 4.321 ( -3.242 -0.052 0.000) 3.242 4.507 ( 10.471 0.096 0.000) 10.471 4.669 ( 16.877 0.403 0.000) 16.882 4.807 ( -4.226 -0.503 0.000) 4.256 4.883 ( -2.545 -0.098 0.000) 2.547 5.000 ( -3.969 -0.011 0.000) 3.969 5.164 ( -1.920 0.034 0.000) 1.920 5.278 ( 2.775 -0.038 0.000) 2.775 5.330 ( 0.820 -0.088 0.000) 0.825 5.645 ( -10.567 -2.230 0.000) 10.800 6.036 ( 11.433 -0.148 0.000) 11.434 6.276 ( 6.003 0.775 0.000) 6.053 6.330 ( -4.910 -0.929 0.000) 4.997 ======================= Grid point 56 (37/129) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.584 8.911 0.000) 8.930 0.893 ( -3.434 4.785 0.000) 5.890 1.001 ( -2.467 -2.973 0.000) 3.863 1.060 ( -14.350 -3.250 0.000) 14.714 1.186 ( -2.386 -5.419 0.000) 5.921 1.324 ( -6.472 -2.898 0.000) 7.091 1.548 ( 2.336 -1.751 0.000) 2.919 1.659 ( -11.057 5.145 0.000) 12.196 1.724 ( -2.631 0.341 0.000) 2.653 1.757 ( -4.658 1.483 0.000) 4.889 1.818 ( -3.155 -3.041 0.000) 4.382 1.912 ( -2.399 0.262 0.000) 2.413 2.080 ( -5.805 0.130 0.000) 5.806 2.271 ( -7.241 0.428 0.000) 7.253 2.343 ( -15.687 -0.208 0.000) 15.688 2.539 ( -14.108 0.029 0.000) 14.109 2.903 ( 2.260 -0.143 0.000) 2.264 3.451 ( -3.492 0.212 0.000) 3.498 3.518 ( -0.693 0.895 0.000) 1.132 3.714 ( 2.207 0.208 0.000) 2.217 3.923 ( -6.250 0.311 0.000) 6.258 4.091 ( -0.878 -0.221 0.000) 0.905 4.128 ( 3.652 0.297 0.000) 3.665 4.238 ( -5.797 -0.166 0.000) 5.800 4.692 ( -9.297 -2.101 0.000) 9.531 4.705 ( 8.826 0.320 0.000) 8.832 4.816 ( -3.631 -0.284 0.000) 3.642 4.924 ( 4.422 -0.043 0.000) 4.422 4.964 ( 3.240 0.234 0.000) 3.248 5.084 ( -4.970 -0.071 0.000) 4.971 5.339 ( -0.741 -0.286 0.000) 0.794 5.348 ( 2.183 0.129 0.000) 2.187 5.415 ( -11.256 -6.034 0.000) 12.772 6.234 ( -4.161 -0.619 0.000) 4.207 6.290 ( 13.993 0.317 0.000) 13.997 6.408 ( 6.557 0.562 0.000) 6.581 ======================= Grid point 57 (38/129) ======================= q-point: (-0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -15.400 5.443 0.000) 16.334 0.774 ( -3.043 14.357 0.000) 14.676 0.958 ( -2.411 -2.282 0.000) 3.319 1.018 ( 1.158 -5.513 0.000) 5.633 1.091 ( -7.103 1.280 0.000) 7.217 1.263 ( 0.851 1.691 0.000) 1.893 1.450 ( -7.515 -0.311 0.000) 7.521 1.506 ( -5.084 5.853 0.000) 7.753 1.686 ( -0.998 0.792 0.000) 1.274 1.719 ( -0.048 -7.274 0.000) 7.274 1.772 ( -9.626 0.098 0.000) 9.627 1.835 ( 2.413 -1.579 0.000) 2.884 2.076 ( 4.543 -1.869 0.000) 4.912 2.136 ( -5.443 -1.415 0.000) 5.624 2.179 ( -2.186 -0.049 0.000) 2.187 2.305 ( -8.790 -0.488 0.000) 8.803 2.939 ( 1.247 -0.318 0.000) 1.287 3.379 ( -3.105 0.140 0.000) 3.109 3.459 ( -4.635 0.502 0.000) 4.662 3.766 ( 3.244 0.227 0.000) 3.252 3.825 ( -2.843 -0.013 0.000) 2.843 4.079 ( -0.527 -0.587 0.000) 0.789 4.094 ( -8.048 -0.106 0.000) 8.048 4.192 ( 1.725 0.265 0.000) 1.745 4.381 ( -24.235 -6.265 0.000) 25.032 4.763 ( -1.640 -0.464 0.000) 1.705 4.837 ( 4.552 0.454 0.000) 4.575 4.935 ( 0.382 0.020 0.000) 0.383 5.001 ( -2.015 0.834 0.000) 2.181 5.030 ( 0.171 0.146 0.000) 0.225 5.145 ( -9.588 -1.644 0.000) 9.728 5.399 ( 1.821 -0.070 0.000) 1.822 5.441 ( 3.251 -3.627 0.000) 4.871 6.175 ( -2.171 -1.109 0.000) 2.438 6.515 ( 4.309 1.440 0.000) 4.544 6.552 ( 11.426 0.546 0.000) 11.439 ======================= Grid point 58 (39/129) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 0.000 6.965 0.000) 6.965 0.635 ( 0.000 11.423 0.000) 11.423 0.946 ( -0.000 -2.215 0.000) 2.215 0.967 ( 0.000 17.946 0.000) 17.946 1.067 ( -0.000 -6.510 0.000) 6.510 1.279 ( 0.000 1.955 0.000) 1.955 1.388 ( -0.000 -5.232 0.000) 5.232 1.393 ( 0.000 8.303 0.000) 8.303 1.657 ( 0.000 0.140 0.000) 0.140 1.672 ( 0.000 1.090 0.000) 1.090 1.776 ( -0.000 -9.180 0.000) 9.180 1.873 ( -0.000 -1.687 0.000) 1.687 2.069 ( -0.000 -1.627 0.000) 1.627 2.168 ( 0.000 0.049 0.000) 0.049 2.180 ( 0.000 0.442 0.000) 0.442 2.271 ( -0.000 -9.452 0.000) 9.452 2.954 ( -0.000 -0.419 0.000) 0.419 3.346 ( 0.000 0.041 0.000) 0.041 3.388 ( 0.000 0.037 0.000) 0.037 3.803 ( -0.000 -0.028 0.000) 0.028 3.818 ( -0.000 -0.033 0.000) 0.033 3.986 ( 0.000 0.235 0.000) 0.235 3.991 ( 0.000 0.250 0.000) 0.250 4.077 ( -0.000 -0.849 0.000) 0.849 4.235 ( 0.000 1.397 0.000) 1.397 4.751 ( -0.000 -0.644 0.000) 0.644 4.879 ( 0.000 0.590 0.000) 0.590 4.941 ( 0.000 0.319 0.000) 0.319 4.978 ( 0.000 1.296 0.000) 1.296 5.022 ( 0.000 0.132 0.000) 0.132 5.051 ( 0.000 0.139 0.000) 0.139 5.418 ( -0.000 -0.036 0.000) 0.036 5.499 ( -0.000 -4.317 0.000) 4.317 6.160 ( -0.000 -1.437 0.000) 1.437 6.550 ( 0.000 2.060 0.000) 2.060 6.677 ( -0.000 -0.053 0.000) 0.053 ======================= Grid point 67 (40/129) ======================= q-point: (-0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 3.744 -0.000 0.000) 3.744 0.926 ( 1.847 -0.000 0.000) 1.847 0.980 ( -6.464 0.000 0.000) 6.464 1.040 ( -15.812 0.000 0.000) 15.812 1.144 ( -4.370 0.000 0.000) 4.370 1.312 ( -5.423 0.000 0.000) 5.423 1.538 ( 3.399 -0.000 0.000) 3.399 1.691 ( -11.586 0.000 0.000) 11.586 1.726 ( -2.548 0.000 0.000) 2.548 1.767 ( -7.810 0.000 0.000) 7.810 1.797 ( -0.490 0.000 0.000) 0.490 1.914 ( -2.444 0.000 0.000) 2.444 2.080 ( -6.451 0.000 0.000) 6.451 2.273 ( -7.527 0.000 0.000) 7.527 2.342 ( -15.665 0.000 0.000) 15.665 2.540 ( -14.128 0.000 0.000) 14.128 2.903 ( 2.228 -0.000 0.000) 2.228 3.452 ( -3.513 0.000 0.000) 3.513 3.523 ( -0.682 0.000 0.000) 0.682 3.715 ( 2.217 -0.000 0.000) 2.217 3.924 ( -6.339 0.000 0.000) 6.339 4.090 ( -0.941 0.000 0.000) 0.941 4.130 ( 3.714 -0.000 0.000) 3.714 4.237 ( -5.799 0.000 0.000) 5.799 4.680 ( -10.321 0.000 0.000) 10.321 4.706 ( 8.853 -0.000 0.000) 8.853 4.814 ( -3.663 0.000 0.000) 3.663 4.924 ( 4.262 -0.000 0.000) 4.262 4.965 ( 3.582 -0.000 0.000) 3.582 5.084 ( -5.000 0.000 0.000) 5.000 5.338 ( 0.256 -0.000 0.000) 0.256 5.351 ( 1.926 -0.000 0.000) 1.926 5.380 ( -11.790 0.000 0.000) 11.790 6.230 ( -4.266 0.000 0.000) 4.266 6.292 ( 14.101 -0.000 0.000) 14.101 6.411 ( 6.746 -0.000 0.000) 6.746 ======================= Grid point 69 (41/129) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -16.028 2.331 0.000) 16.197 0.910 ( -8.537 10.273 0.000) 13.357 0.942 ( -2.215 -0.647 0.000) 2.307 0.973 ( 1.694 -2.588 0.000) 3.093 1.058 ( 3.568 -5.774 0.000) 6.788 1.277 ( 1.303 0.743 0.000) 1.500 1.462 ( -10.259 1.402 0.000) 10.354 1.565 ( -1.390 5.143 0.000) 5.328 1.647 ( -3.285 -5.906 0.000) 6.758 1.692 ( -0.937 0.283 0.000) 0.979 1.773 ( -9.672 0.037 0.000) 9.672 1.823 ( 2.418 -0.603 0.000) 2.492 2.057 ( 3.851 -1.230 0.000) 4.042 2.126 ( -6.661 -0.439 0.000) 6.675 2.178 ( -2.123 -0.027 0.000) 2.123 2.302 ( -9.301 -0.165 0.000) 9.302 2.937 ( 1.222 -0.118 0.000) 1.228 3.380 ( -3.171 0.052 0.000) 3.172 3.462 ( -5.210 0.137 0.000) 5.212 3.768 ( 3.171 0.084 0.000) 3.172 3.825 ( -2.886 -0.006 0.000) 2.886 4.074 ( -0.604 -0.215 0.000) 0.641 4.094 ( -7.942 -0.037 0.000) 7.942 4.193 ( 0.433 -0.034 0.000) 0.435 4.340 ( -21.447 -1.802 0.000) 21.523 4.760 ( -1.693 -0.171 0.000) 1.701 4.840 ( 4.573 0.161 0.000) 4.576 4.935 ( 0.499 -0.005 0.000) 0.499 5.008 ( -2.032 0.357 0.000) 2.063 5.031 ( 0.345 0.004 0.000) 0.345 5.134 ( -8.233 -0.412 0.000) 8.243 5.399 ( 1.847 -0.025 0.000) 1.848 5.414 ( 3.309 -1.327 0.000) 3.565 6.167 ( -2.183 -0.382 0.000) 2.216 6.525 ( 4.449 0.505 0.000) 4.478 6.555 ( 11.213 0.155 0.000) 11.214 ======================= Grid point 70 (42/129) ======================= q-point: (-0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.000 4.072 0.000) 4.072 0.734 ( 0.000 6.905 0.000) 6.905 0.925 ( -0.000 -1.506 0.000) 1.506 1.011 ( -0.000 -3.905 0.000) 3.905 1.124 ( 0.000 11.154 0.000) 11.154 1.296 ( 0.000 1.230 0.000) 1.230 1.339 ( -0.000 -3.835 0.000) 3.835 1.483 ( 0.000 8.612 0.000) 8.612 1.658 ( 0.000 0.081 0.000) 0.081 1.677 ( -0.000 -9.307 0.000) 9.307 1.681 ( 0.000 0.588 0.000) 0.588 1.859 ( -0.000 -1.018 0.000) 1.018 2.054 ( -0.000 -1.053 0.000) 1.053 2.168 ( -0.000 -0.001 0.000) 0.001 2.182 ( -0.000 -6.657 0.000) 6.657 2.184 ( 0.000 0.245 0.000) 0.245 2.950 ( -0.000 -0.247 0.000) 0.247 3.346 ( 0.000 0.024 0.000) 0.024 3.388 ( 0.000 0.022 0.000) 0.022 3.803 ( -0.000 -0.019 0.000) 0.019 3.818 ( -0.000 -0.006 0.000) 0.006 3.988 ( 0.000 0.135 0.000) 0.135 3.993 ( 0.000 0.144 0.000) 0.144 4.070 ( -0.000 -0.492 0.000) 0.492 4.247 ( 0.000 0.870 0.000) 0.870 4.746 ( -0.000 -0.373 0.000) 0.373 4.884 ( 0.000 0.323 0.000) 0.323 4.944 ( 0.000 0.174 0.000) 0.174 4.989 ( 0.000 0.774 0.000) 0.774 5.023 ( 0.000 0.076 0.000) 0.076 5.053 ( 0.000 0.080 0.000) 0.080 5.418 ( -0.000 -0.012 0.000) 0.012 5.461 ( -0.000 -2.590 0.000) 2.590 6.149 ( -0.000 -0.758 0.000) 0.758 6.567 ( 0.000 1.125 0.000) 1.125 6.676 ( -0.000 -0.028 0.000) 0.028 ======================= Grid point 82 (43/129) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 0.000 0.000 0.000) 0.000 0.772 ( 0.000 0.000 0.000) 0.000 0.917 ( 0.000 0.000 0.000) 0.000 0.990 ( -0.000 -0.000 0.000) 0.000 1.186 ( 0.000 0.000 0.000) 0.000 1.304 ( 0.000 0.000 0.000) 0.000 1.316 ( -0.000 -0.000 0.000) 0.000 1.562 ( 0.000 0.000 0.000) 0.000 1.594 ( -0.000 -0.000 0.000) 0.000 1.659 ( 0.000 0.000 0.000) 0.000 1.684 ( 0.000 0.000 0.000) 0.000 1.853 ( 0.000 0.000 0.000) 0.000 2.048 ( 0.000 0.000 0.000) 0.000 2.144 ( 0.000 0.000 0.000) 0.000 2.168 ( 0.000 0.000 0.000) 0.000 2.185 ( 0.000 0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 3.346 ( 0.000 0.000 0.000) 0.000 3.389 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.818 ( 0.000 0.000 0.000) 0.000 3.989 ( 0.000 0.000 0.000) 0.000 3.994 ( 0.000 0.000 0.000) 0.000 4.068 ( 0.000 0.000 0.000) 0.000 4.252 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 4.885 ( 0.000 0.000 0.000) 0.000 4.945 ( 0.000 0.000 0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 5.024 ( 0.000 0.000 0.000) 0.000 5.053 ( 0.000 0.000 0.000) 0.000 5.418 ( 0.000 0.000 0.000) 0.000 5.447 ( 0.000 0.000 0.000) 0.000 6.145 ( 0.000 0.000 0.000) 0.000 6.573 ( 0.000 0.000 0.000) 0.000 6.676 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 151 (44/129) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.219 ( 0.000 0.000 12.476) 12.476 0.376 ( 0.000 0.000 19.993) 19.993 0.612 ( 0.000 0.000 27.623) 27.623 0.946 ( 0.000 0.000 -6.411) 6.411 1.161 ( 0.000 0.000 -6.105) 6.105 1.264 ( 0.000 0.000 9.472) 9.472 1.273 ( 0.000 0.000 -3.035) 3.035 1.531 ( 0.000 0.000 0.424) 0.424 1.618 ( 0.000 0.000 -2.904) 2.904 1.744 ( 0.000 0.000 3.322) 3.322 1.896 ( 0.000 0.000 -2.952) 2.952 1.968 ( 0.000 0.000 3.636) 3.636 2.098 ( 0.000 0.000 0.996) 0.996 2.133 ( 0.000 0.000 -3.875) 3.875 2.148 ( 0.000 0.000 -1.647) 1.647 2.179 ( 0.000 0.000 -1.002) 1.002 2.989 ( 0.000 0.000 1.598) 1.598 3.347 ( 0.000 0.000 0.343) 0.343 3.382 ( 0.000 0.000 -0.517) 0.517 3.560 ( 0.000 0.000 -16.694) 16.694 3.942 ( 0.000 0.000 4.894) 4.894 3.980 ( 0.000 0.000 0.236) 0.236 3.984 ( 0.000 0.000 0.144) 0.144 4.162 ( 0.000 0.000 -3.126) 3.126 4.779 ( 0.000 0.000 0.264) 0.264 4.791 ( 0.000 0.000 -2.049) 2.049 4.952 ( 0.000 0.000 2.333) 2.333 4.990 ( 0.000 0.000 3.676) 3.676 5.020 ( 0.000 0.000 0.231) 0.231 5.043 ( 0.000 0.000 -0.356) 0.356 5.469 ( 0.000 0.000 5.557) 5.557 5.562 ( 0.000 0.000 1.952) 1.952 5.789 ( 0.000 0.000 -3.082) 3.082 6.079 ( 0.000 0.000 -10.954) 10.954 6.407 ( 0.000 0.000 5.681) 5.681 6.575 ( 0.000 0.000 -1.098) 1.098 ======================= Grid point 152 (45/129) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 13.634 -1.371 7.580) 15.659 0.514 ( 11.795 -3.229 11.946) 17.096 0.833 ( 14.078 -2.656 9.588) 17.239 1.044 ( 11.903 -0.634 2.191) 12.120 1.176 ( -0.609 0.153 -6.736) 6.765 1.275 ( 2.539 2.034 5.316) 6.232 1.298 ( 3.534 -2.355 3.287) 5.370 1.596 ( 5.510 1.034 0.471) 5.626 1.698 ( 5.495 0.485 -5.189) 7.574 1.712 ( 0.154 0.415 5.261) 5.279 1.901 ( 1.409 -0.174 -0.675) 1.572 1.989 ( 0.584 1.407 2.257) 2.723 2.043 ( -3.167 0.090 0.273) 3.180 2.155 ( 3.596 -0.156 -2.979) 4.672 2.174 ( 0.244 -0.067 -0.411) 0.483 2.263 ( 9.751 -0.314 -2.734) 10.132 2.975 ( -1.256 -0.012 2.149) 2.489 3.381 ( 3.003 0.002 0.649) 3.072 3.394 ( 0.748 -0.577 -2.299) 2.485 3.573 ( 1.590 0.033 -13.852) 13.943 3.879 ( -1.689 -0.212 1.867) 2.527 3.955 ( -0.953 -0.432 -5.760) 5.854 4.116 ( 8.142 0.102 1.544) 8.288 4.230 ( 1.864 0.265 -0.015) 1.883 4.790 ( -0.929 0.293 -0.701) 1.200 4.793 ( 0.250 -0.206 -0.200) 0.380 4.926 ( -4.149 1.167 5.344) 6.866 4.949 ( -0.072 -0.048 1.827) 1.830 5.010 ( 0.049 0.337 1.221) 1.268 5.016 ( 0.350 -0.740 1.118) 1.386 5.458 ( -1.729 -0.053 6.193) 6.430 5.513 ( -3.084 2.616 3.270) 5.200 5.877 ( 6.984 14.065 -9.111) 18.155 6.078 ( -1.300 -2.800 -12.140) 12.526 6.395 ( -1.995 -2.925 4.964) 6.097 6.509 ( -5.234 -0.914 2.596) 5.914 ======================= Grid point 153 (46/129) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 15.736 1.814 4.749) 16.537 0.759 ( 9.494 -2.197 4.299) 10.651 1.070 ( 10.397 -1.159 -3.443) 11.014 1.129 ( -2.331 0.848 -3.921) 4.640 1.340 ( 8.280 1.627 -0.169) 8.441 1.402 ( 15.393 -2.242 14.262) 21.104 1.442 ( 8.445 -4.591 -1.429) 9.718 1.695 ( 4.588 2.935 2.161) 5.860 1.738 ( 0.060 2.338 -4.490) 5.063 1.772 ( 5.041 1.159 3.488) 6.239 1.934 ( -2.348 3.561 -0.512) 4.296 1.946 ( 0.734 0.157 1.944) 2.084 2.010 ( -0.335 -3.288 -0.020) 3.305 2.209 ( 3.428 -1.475 -0.155) 3.735 2.363 ( 16.807 0.194 0.612) 16.819 2.505 ( 13.876 -0.025 -3.289) 14.261 2.943 ( -1.835 0.050 3.060) 3.569 3.405 ( 0.101 -0.999 -5.694) 5.782 3.452 ( 3.589 -0.218 1.484) 3.889 3.619 ( 2.405 -0.200 -7.117) 7.515 3.888 ( 2.201 -0.383 -1.417) 2.646 3.947 ( -0.434 -0.711 -6.998) 7.047 4.228 ( -0.988 0.179 3.589) 3.727 4.252 ( 5.245 0.171 0.182) 5.251 4.686 ( -7.670 -0.217 0.741) 7.708 4.798 ( -3.241 0.474 -2.529) 4.138 4.886 ( -0.259 0.811 4.854) 4.928 4.955 ( -0.658 -0.048 2.549) 2.633 4.966 ( -0.366 -0.229 1.751) 1.804 5.080 ( 4.165 -0.190 -0.352) 4.184 5.405 ( -3.442 0.031 6.063) 6.972 5.437 ( -3.203 0.750 5.173) 6.131 5.895 ( 1.828 10.079 -8.142) 13.085 6.036 ( -4.625 -2.647 -12.043) 13.169 6.381 ( 0.189 -0.482 3.973) 4.007 6.408 ( -4.858 0.340 4.506) 6.635 ======================= Grid point 154 (47/129) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 2.606 -0.607 1.649) 3.143 0.994 ( 14.723 4.433 3.317) 15.730 1.068 ( -1.899 0.961 -2.299) 3.133 1.296 ( 10.822 1.459 -4.228) 11.710 1.520 ( 11.544 1.386 3.196) 12.059 1.625 ( 8.082 -4.295 -0.288) 9.157 1.651 ( 2.759 0.810 0.393) 2.902 1.676 ( -0.790 5.120 -1.825) 5.493 1.742 ( 2.491 2.854 2.324) 4.445 1.842 ( 2.421 -0.532 1.905) 3.126 1.873 ( -1.905 -0.987 -0.202) 2.155 1.969 ( 0.628 -0.207 2.777) 2.855 2.128 ( 9.837 -5.235 5.548) 12.448 2.312 ( 5.629 -2.082 -1.084) 6.099 2.746 ( 20.212 0.298 0.693) 20.226 2.755 ( 8.573 -0.075 -3.193) 9.148 2.929 ( 2.739 0.090 4.975) 5.680 3.413 ( 0.246 -0.742 -6.705) 6.750 3.502 ( 0.714 -0.355 2.396) 2.525 3.653 ( 0.838 -0.268 -1.876) 2.072 3.949 ( 0.778 -0.423 -6.666) 6.725 3.953 ( 3.455 -0.388 -5.670) 6.651 4.205 ( -1.430 -0.005 4.000) 4.248 4.325 ( 2.336 0.056 -0.764) 2.458 4.524 ( -7.805 -0.246 2.487) 8.195 4.606 ( -13.629 -0.194 -2.288) 13.821 4.895 ( 1.647 0.532 4.464) 4.788 4.959 ( 0.784 0.050 4.813) 4.876 5.015 ( 3.920 0.289 0.797) 4.010 5.145 ( 1.357 -0.125 -1.488) 2.017 5.334 ( -3.210 0.027 5.767) 6.600 5.383 ( -2.286 0.188 5.107) 5.598 5.851 ( -2.395 4.490 -7.443) 9.016 5.940 ( -5.213 -0.393 -10.463) 11.696 6.315 ( -3.638 1.317 5.728) 6.912 6.416 ( 2.809 1.049 1.591) 3.394 ======================= Grid point 155 (48/129) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 0.160 0.163 1.043) 1.068 1.013 ( -2.536 -0.016 -1.592) 2.994 1.252 ( 12.944 6.420 3.360) 14.834 1.441 ( 3.015 7.072 -1.472) 7.828 1.550 ( -1.411 6.515 -1.236) 6.780 1.635 ( 0.897 5.557 -1.985) 5.968 1.761 ( 2.535 -2.939 -1.306) 4.095 1.784 ( 10.115 -1.209 1.834) 10.350 1.832 ( 5.120 -4.358 1.983) 7.010 1.871 ( 1.277 -3.579 1.165) 3.974 1.914 ( 3.974 -0.535 0.528) 4.044 1.962 ( -2.173 -3.580 3.386) 5.385 2.343 ( 7.549 -3.414 3.138) 8.859 2.434 ( 5.335 -1.316 -2.300) 5.957 2.785 ( -1.660 -0.120 3.783) 4.133 3.075 ( 7.963 -0.238 2.949) 8.494 3.113 ( 15.492 0.127 -0.042) 15.492 3.424 ( 0.608 -0.254 -6.003) 6.039 3.464 ( -4.821 -0.300 2.878) 5.622 3.666 ( 0.781 0.042 -0.518) 0.938 3.990 ( -1.570 -0.215 -8.136) 8.289 3.994 ( 3.571 -0.040 -6.906) 7.775 4.161 ( -2.788 -0.060 0.716) 2.879 4.271 ( -8.240 -0.216 -3.522) 8.964 4.433 ( -0.571 -0.035 7.112) 7.135 4.448 ( 1.379 -0.111 4.318) 4.534 4.946 ( 2.903 0.360 4.374) 5.262 4.949 ( -1.569 0.152 3.962) 4.264 5.101 ( 1.502 0.361 -0.487) 1.620 5.119 ( -0.149 -0.244 -0.767) 0.819 5.293 ( -1.335 0.015 4.067) 4.280 5.337 ( -2.429 -0.125 4.323) 4.960 5.759 ( -5.170 0.654 -6.061) 7.994 5.853 ( -3.191 1.805 -10.605) 11.221 6.250 ( -2.307 1.389 7.184) 7.672 6.465 ( 2.511 1.334 -0.695) 2.927 ======================= Grid point 156 (49/129) ======================= q-point: ( 0.42 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 0.380 0.165 0.778) 0.881 0.964 ( -2.366 -0.395 -0.779) 2.522 1.347 ( -3.227 6.364 2.490) 7.557 1.427 ( 5.274 4.909 1.040) 7.280 1.528 ( 2.703 6.054 0.647) 6.661 1.711 ( 6.886 4.119 -2.018) 8.273 1.760 ( -1.982 -3.205 -0.602) 3.816 1.862 ( -1.503 -2.679 3.152) 4.401 1.897 ( -3.303 -5.803 -0.798) 6.725 1.961 ( 3.780 -1.958 2.848) 5.122 1.978 ( 2.944 -1.386 3.549) 4.815 2.060 ( 9.848 -0.140 -4.207) 10.710 2.426 ( -0.457 -1.875 -3.018) 3.582 2.522 ( 2.854 -0.319 -2.949) 4.116 2.761 ( -0.471 -0.185 11.095) 11.107 3.184 ( 3.107 -0.329 3.411) 4.626 3.323 ( 5.749 -0.047 -0.928) 5.823 3.344 ( -6.068 -0.079 2.235) 6.467 3.441 ( 1.219 0.095 -4.612) 4.771 3.676 ( -0.994 0.010 -5.060) 5.156 3.882 ( -5.349 -0.145 -1.853) 5.663 4.056 ( 1.492 0.011 -3.946) 4.218 4.130 ( 0.259 0.138 -3.916) 3.927 4.205 ( 0.370 0.066 -3.948) 3.966 4.492 ( 5.449 0.046 10.236) 11.596 4.537 ( 6.308 -0.076 4.195) 7.575 4.868 ( -5.713 0.126 3.235) 6.566 4.970 ( -4.055 -0.185 1.279) 4.256 5.064 ( 2.876 0.126 1.716) 3.351 5.221 ( 5.233 0.091 -0.945) 5.318 5.255 ( -2.732 0.025 2.461) 3.677 5.294 ( -1.733 -0.207 3.992) 4.357 5.654 ( -4.898 0.120 -4.988) 6.992 5.795 ( -1.795 1.255 -11.051) 11.266 6.209 ( -1.212 0.816 8.012) 8.144 6.496 ( 1.173 0.856 -2.014) 2.483 ======================= Grid point 157 (50/129) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 0.000 -0.000 0.713) 0.713 0.934 ( 0.000 -0.000 -0.397) 0.397 1.291 ( 0.000 -0.000 2.892) 2.892 1.443 ( 0.000 -0.000 -1.593) 1.593 1.575 ( 0.000 -0.000 4.173) 4.173 1.733 ( -0.000 -0.000 -0.216) 0.216 1.799 ( 0.000 0.000 -0.625) 0.625 1.844 ( -0.000 -0.000 3.545) 3.545 1.858 ( 0.000 -0.000 -1.964) 1.964 2.004 ( 0.000 -0.000 4.290) 4.290 2.016 ( 0.000 -0.000 0.386) 0.386 2.185 ( 0.000 -0.000 -5.939) 5.939 2.400 ( 0.000 -0.000 -4.494) 4.494 2.550 ( 0.000 -0.000 -3.075) 3.075 2.760 ( 0.000 -0.000 14.215) 14.215 3.213 ( 0.000 -0.000 3.569) 3.569 3.276 ( 0.000 -0.000 1.600) 1.600 3.373 ( 0.000 -0.000 -1.124) 1.124 3.461 ( 0.000 -0.000 -3.053) 3.053 3.638 ( 0.000 -0.000 -10.430) 10.430 3.848 ( 0.000 -0.000 3.185) 3.185 4.063 ( 0.000 -0.000 -1.323) 1.323 4.141 ( 0.000 -0.000 -5.998) 5.998 4.215 ( 0.000 -0.000 -4.523) 4.523 4.571 ( 0.000 -0.000 11.780) 11.780 4.643 ( 0.000 -0.000 4.953) 4.953 4.769 ( 0.000 -0.000 2.177) 2.177 4.901 ( 0.000 -0.000 -2.019) 2.019 5.126 ( 0.000 -0.000 4.663) 4.663 5.203 ( 0.000 -0.000 0.775) 0.775 5.271 ( 0.000 -0.000 1.988) 1.988 5.291 ( 0.000 -0.000 0.663) 0.663 5.594 ( 0.000 -0.000 -4.676) 4.676 5.773 ( 0.000 -0.000 -11.192) 11.192 6.195 ( 0.000 -0.000 8.253) 8.253 6.505 ( 0.000 -0.000 -2.445) 2.445 ======================= Grid point 165 (51/129) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 16.543 -0.000 4.503) 17.145 0.745 ( 10.179 -0.000 4.365) 11.075 1.061 ( 11.497 -0.000 -2.679) 11.805 1.135 ( -2.943 0.000 -4.492) 5.370 1.353 ( 10.127 -0.000 -2.659) 10.470 1.392 ( 13.796 -0.000 15.831) 20.999 1.412 ( 7.990 -0.000 -0.913) 8.042 1.708 ( 4.847 -0.000 2.407) 5.412 1.752 ( 0.191 -0.000 -5.802) 5.805 1.779 ( 6.301 -0.000 5.044) 8.071 1.946 ( -0.483 0.000 2.174) 2.227 1.973 ( -0.934 0.000 -1.739) 1.974 1.974 ( -2.392 0.000 0.820) 2.529 2.201 ( 3.147 -0.000 -0.065) 3.147 2.364 ( 16.848 -0.000 0.607) 16.859 2.505 ( 13.927 -0.000 -3.318) 14.316 2.943 ( -1.820 0.000 3.004) 3.512 3.400 ( 0.210 -0.000 -5.615) 5.618 3.451 ( 3.571 -0.000 1.488) 3.868 3.618 ( 2.331 -0.000 -7.150) 7.520 3.886 ( 2.230 -0.000 -1.508) 2.691 3.943 ( -0.336 0.000 -7.198) 7.205 4.229 ( -1.049 0.000 3.577) 3.728 4.253 ( 5.209 -0.000 0.170) 5.211 4.685 ( -7.684 0.000 0.772) 7.722 4.800 ( -3.317 0.000 -2.667) 4.256 4.890 ( -0.599 0.000 4.644) 4.683 4.955 ( -1.062 0.000 2.839) 3.031 4.965 ( 0.207 -0.000 1.556) 1.569 5.079 ( 4.235 -0.000 -0.396) 4.253 5.405 ( -3.454 0.000 6.069) 6.983 5.442 ( -3.538 0.000 5.141) 6.241 5.965 ( -0.131 0.000 -11.609) 11.610 6.007 ( -4.894 0.000 -10.152) 11.270 6.378 ( 1.113 -0.000 4.567) 4.700 6.409 ( -4.684 0.000 4.559) 6.537 ======================= Grid point 166 (52/129) ======================= q-point: ( 0.17 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 3.160 -0.237 1.659) 3.577 1.031 ( 14.618 2.074 2.958) 15.057 1.076 ( -1.678 0.401 -2.259) 2.842 1.305 ( 12.427 0.245 -3.725) 12.976 1.536 ( 11.277 1.606 2.357) 11.632 1.583 ( 8.257 -3.004 -0.638) 8.810 1.642 ( 7.816 -0.898 2.102) 8.144 1.729 ( -1.614 3.446 -3.499) 5.170 1.775 ( 0.474 2.025 2.015) 2.895 1.833 ( 0.782 -0.824 1.648) 2.001 1.867 ( -4.433 -0.190 -0.495) 4.464 1.968 ( -1.018 -0.051 3.460) 3.607 2.084 ( 11.600 -2.637 6.720) 13.663 2.296 ( 5.960 -0.809 -1.198) 6.133 2.749 ( 20.319 0.118 0.736) 20.333 2.755 ( 8.377 -0.033 -3.216) 8.973 2.930 ( 2.690 0.035 4.999) 5.677 3.407 ( 0.486 -0.280 -6.573) 6.597 3.500 ( 0.723 -0.131 2.399) 2.509 3.651 ( 0.947 -0.098 -1.939) 2.160 3.946 ( 0.930 -0.155 -6.804) 6.869 3.950 ( 3.589 -0.139 -5.732) 6.764 4.205 ( -1.501 -0.001 3.919) 4.197 4.325 ( 2.277 0.021 -0.828) 2.423 4.522 ( -7.725 -0.091 2.514) 8.124 4.605 ( -13.776 -0.063 -2.282) 13.964 4.899 ( 1.564 0.183 4.356) 4.632 4.960 ( 0.862 0.023 4.739) 4.817 5.017 ( 3.946 0.117 0.859) 4.040 5.144 ( 1.362 -0.047 -1.485) 2.015 5.334 ( -3.211 0.007 5.713) 6.553 5.385 ( -2.464 0.061 5.203) 5.757 5.885 ( -5.689 1.841 -7.771) 9.806 5.935 ( -3.234 -0.419 -11.237) 11.701 6.326 ( -3.546 0.599 6.269) 7.227 6.424 ( 3.022 0.363 1.640) 3.458 ======================= Grid point 167 (53/129) ======================= q-point: ( 0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 0.264 0.095 0.888) 0.931 1.013 ( -2.849 -0.025 -1.645) 3.290 1.312 ( 13.489 4.635 3.135) 14.604 1.504 ( 6.286 4.442 -2.121) 7.984 1.619 ( -2.557 6.324 -1.110) 6.911 1.692 ( -1.055 4.796 -1.392) 5.104 1.727 ( 1.420 -3.243 -1.352) 3.790 1.761 ( 6.620 -2.374 -0.163) 7.035 1.801 ( 6.480 -2.083 2.197) 7.152 1.828 ( 3.003 -4.225 1.054) 5.290 1.908 ( 4.274 -0.540 0.397) 4.327 1.929 ( -3.061 -2.264 5.322) 6.544 2.313 ( 8.497 -2.089 3.631) 9.474 2.423 ( 5.896 -0.748 -2.470) 6.436 2.784 ( -1.694 -0.065 3.825) 4.184 3.073 ( 7.828 -0.129 3.048) 8.401 3.114 ( 15.402 0.072 -0.076) 15.403 3.421 ( 0.824 -0.152 -5.922) 5.981 3.462 ( -4.724 -0.175 2.944) 5.569 3.666 ( 0.899 0.023 -0.517) 1.038 3.988 ( -1.576 -0.132 -8.052) 8.206 3.993 ( 3.714 -0.024 -6.859) 7.800 4.161 ( -2.722 -0.033 0.653) 2.800 4.269 ( -8.209 -0.122 -3.458) 8.909 4.433 ( -0.506 -0.017 7.133) 7.151 4.448 ( 1.464 -0.064 4.294) 4.537 4.949 ( 2.463 0.231 4.310) 4.969 4.950 ( -1.267 0.067 3.963) 4.161 5.106 ( 0.557 0.478 -0.581) 0.936 5.116 ( 0.722 -0.395 -0.601) 1.018 5.293 ( -1.333 0.008 4.041) 4.255 5.336 ( -2.507 -0.081 4.398) 5.063 5.764 ( -5.808 0.362 -5.976) 8.341 5.867 ( -3.238 0.933 -11.476) 11.961 6.262 ( -2.526 0.930 7.657) 8.116 6.476 ( 2.349 0.751 -0.579) 2.534 ======================= Grid point 168 (54/129) ======================= q-point: ( 0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.377 0.168 0.492) 0.643 0.960 ( -2.407 -0.307 -0.733) 2.535 1.420 ( -5.170 7.215 1.982) 9.095 1.479 ( 3.095 4.847 1.137) 5.862 1.587 ( 1.326 4.540 0.851) 4.805 1.710 ( -1.224 -3.826 -0.448) 4.042 1.757 ( 5.437 1.686 -1.366) 5.854 1.824 ( -0.596 -4.435 -1.402) 4.689 1.853 ( -1.666 -1.982 3.582) 4.420 1.932 ( 4.427 -2.942 1.436) 5.506 1.972 ( 3.094 -0.214 4.666) 5.603 2.058 ( 10.463 -0.144 -4.306) 11.316 2.408 ( 0.188 -1.546 -2.992) 3.373 2.518 ( 3.193 -0.246 -3.121) 4.472 2.759 ( -0.458 -0.151 11.208) 11.219 3.182 ( 3.218 -0.205 3.437) 4.712 3.323 ( 5.750 -0.035 -0.965) 5.830 3.343 ( -6.001 -0.057 2.362) 6.450 3.442 ( 1.289 0.046 -4.602) 4.779 3.676 ( -1.194 -0.000 -5.140) 5.277 3.881 ( -5.164 -0.110 -1.403) 5.352 4.056 ( 1.459 0.005 -3.757) 4.030 4.131 ( 0.292 0.103 -4.001) 4.013 4.206 ( 0.437 0.054 -4.015) 4.040 4.492 ( 5.479 0.038 10.239) 11.612 4.536 ( 6.305 -0.058 4.210) 7.581 4.869 ( -5.739 0.093 3.209) 6.576 4.968 ( -4.205 -0.129 1.325) 4.411 5.066 ( 2.915 0.094 1.725) 3.389 5.222 ( 5.227 0.081 -0.927) 5.309 5.255 ( -2.772 0.007 2.473) 3.715 5.292 ( -1.711 -0.151 4.024) 4.375 5.655 ( -4.934 0.120 -4.935) 6.979 5.806 ( -2.331 0.827 -11.534) 11.796 6.217 ( -1.609 0.651 8.316) 8.495 6.504 ( 0.803 0.619 -1.928) 2.178 ======================= Grid point 169 (55/129) ======================= q-point: ( 0.42 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -0.246 0.213 0.657) 0.733 0.933 ( 0.454 -0.248 -0.360) 0.630 1.305 ( -2.869 2.706 2.828) 4.853 1.450 ( -1.934 1.105 -1.477) 2.672 1.545 ( -6.514 -4.967 3.759) 9.013 1.750 ( 2.392 1.506 0.018) 2.827 1.759 ( -3.546 -4.107 -1.196) 5.557 1.848 ( 1.636 0.505 4.203) 4.539 1.893 ( 5.560 4.315 -1.776) 7.259 2.004 ( 0.296 -0.022 4.167) 4.178 2.013 ( 1.710 -0.455 0.397) 1.814 2.185 ( -0.454 -0.055 -5.966) 5.983 2.399 ( 1.246 -0.280 -4.486) 4.664 2.549 ( 0.021 -0.022 -3.094) 3.094 2.760 ( 0.098 -0.078 14.226) 14.226 3.213 ( 0.223 0.069 3.562) 3.570 3.276 ( 0.016 0.009 1.606) 1.606 3.373 ( 0.044 -0.011 -1.129) 1.130 3.461 ( -0.194 -0.058 -3.040) 3.047 3.638 ( 0.227 0.004 -10.435) 10.437 3.848 ( -0.051 -0.000 3.186) 3.186 4.063 ( -0.002 -0.004 -1.324) 1.324 4.141 ( -0.119 -0.004 -5.999) 6.000 4.215 ( -0.085 0.014 -4.528) 4.528 4.571 ( -0.092 -0.002 11.780) 11.781 4.643 ( 0.131 -0.002 4.955) 4.956 4.769 ( -0.152 0.004 2.178) 2.183 4.901 ( 0.238 -0.000 -2.020) 2.034 5.126 ( -0.089 0.004 4.663) 4.664 5.203 ( -0.028 0.003 0.774) 0.775 5.271 ( -0.005 -0.009 1.988) 1.988 5.291 ( 0.138 -0.005 0.663) 0.677 5.595 ( -0.115 0.003 -4.676) 4.677 5.773 ( -0.671 0.005 -11.193) 11.213 6.195 ( -0.429 0.003 8.254) 8.265 6.505 ( -0.469 0.001 -2.444) 2.489 ======================= Grid point 170 (56/129) ======================= q-point: (-0.50 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -0.430 -0.096 1.116) 1.200 0.968 ( 2.406 0.374 -0.801) 2.563 1.290 ( 0.289 -4.321 3.037) 5.289 1.377 ( -7.651 -4.520 1.443) 9.003 1.467 ( -1.949 -5.323 0.003) 5.668 1.663 ( -6.721 -4.544 -2.552) 8.505 1.789 ( 1.465 2.031 -0.429) 2.540 1.891 ( 2.418 2.714 3.832) 5.282 1.951 ( 1.789 3.363 -0.519) 3.844 1.972 ( -3.563 1.408 4.101) 5.612 2.004 ( -1.502 2.985 1.008) 3.490 2.061 ( -8.859 0.139 -3.896) 9.679 2.445 ( 1.258 1.645 -3.000) 3.645 2.525 ( -2.434 0.303 -2.760) 3.692 2.763 ( 0.528 0.155 10.955) 10.969 3.188 ( -2.997 0.389 3.371) 4.527 3.324 ( -5.781 0.045 -0.891) 5.850 3.344 ( 6.177 0.081 2.095) 6.523 3.440 ( -1.122 -0.134 -4.607) 4.744 3.676 ( 0.767 -0.022 -4.973) 5.031 3.884 ( 5.546 0.137 -2.370) 6.033 4.056 ( -1.530 -0.016 -4.164) 4.436 4.128 ( -0.216 -0.135 -3.818) 3.826 4.205 ( -0.295 -0.055 -3.882) 3.893 4.491 ( -5.412 -0.040 10.238) 11.581 4.538 ( -6.312 0.073 4.173) 7.567 4.867 ( 5.683 -0.124 3.265) 6.555 4.972 ( 3.881 0.196 1.230) 4.075 5.063 ( -2.815 -0.123 1.700) 3.291 5.220 ( -5.284 -0.070 -0.972) 5.373 5.254 ( 2.737 -0.043 2.454) 3.676 5.296 ( 1.756 0.211 3.949) 4.327 5.653 ( 4.938 -0.050 -5.044) 7.059 5.780 ( 1.000 -1.423 -10.435) 10.579 6.201 ( 0.839 -0.729 7.609) 7.689 6.487 ( -1.614 -0.868 -2.112) 2.797 ======================= Grid point 171 (57/129) ======================= q-point: (-0.42 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -0.086 -0.214 1.250) 1.271 1.013 ( 2.010 -0.017 -1.513) 2.516 1.184 ( -11.894 -6.049 3.795) 13.873 1.362 ( -1.107 -7.520 -0.634) 7.628 1.486 ( 0.491 -5.572 -1.525) 5.798 1.578 ( -2.641 -5.130 -2.691) 6.367 1.786 ( -7.884 1.279 1.881) 8.205 1.791 ( -5.476 1.005 0.260) 5.573 1.884 ( -4.361 4.721 0.740) 6.470 1.903 ( -1.546 2.655 2.337) 3.860 1.920 ( -3.790 0.763 0.800) 3.948 1.998 ( 0.381 3.168 1.610) 3.574 2.381 ( -6.414 3.672 2.569) 7.825 2.450 ( -4.589 1.544 -2.071) 5.266 2.786 ( 1.614 0.153 3.738) 4.075 3.078 ( -8.150 0.301 2.817) 8.628 3.111 ( -15.621 -0.152 -0.001) 15.621 3.426 ( -0.311 0.280 -6.107) 6.121 3.468 ( 4.949 0.340 2.785) 5.688 3.665 ( -0.619 -0.051 -0.522) 0.811 3.993 ( 1.424 0.223 -8.208) 8.334 3.994 ( -3.223 0.049 -7.004) 7.710 4.162 ( 2.877 0.073 0.798) 2.986 4.274 ( 8.274 0.258 -3.627) 9.037 4.434 ( 0.661 0.049 7.102) 7.133 4.450 ( -1.248 0.132 4.327) 4.505 4.941 ( -3.385 -0.402 4.426) 5.586 4.947 ( 1.854 -0.181 3.999) 4.412 5.099 ( -2.254 -0.130 -0.440) 2.300 5.121 ( 0.815 0.042 -0.916) 1.226 5.293 ( 1.332 -0.020 4.086) 4.297 5.338 ( 2.304 0.123 4.222) 4.812 5.751 ( 3.833 -0.838 -6.179) 7.320 5.830 ( 3.466 -2.342 -9.226) 10.131 6.235 ( 2.173 -1.250 6.369) 6.845 6.449 ( -2.760 -1.601 -0.846) 3.301 ======================= Grid point 172 (58/129) ======================= q-point: (-0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -2.001 0.193 1.420) 2.461 0.950 ( -13.059 -3.235 3.755) 13.968 1.056 ( 1.058 -1.406 -2.114) 2.750 1.275 ( -8.458 -2.451 -4.410) 9.848 1.501 ( -10.247 -2.690 2.591) 10.906 1.589 ( 2.345 -6.746 0.488) 7.159 1.632 ( -0.562 -5.055 1.294) 5.248 1.681 ( -7.079 5.164 -1.308) 8.860 1.746 ( -7.298 3.098 1.825) 8.136 1.844 ( -3.947 -0.045 2.347) 4.592 1.886 ( 0.479 1.367 -0.222) 1.465 1.970 ( -2.141 -0.092 1.902) 2.865 2.185 ( -9.356 5.267 4.659) 11.704 2.337 ( -5.303 2.581 -0.940) 5.972 2.743 ( -20.326 -0.387 0.707) 20.342 2.756 ( -8.601 0.102 -3.233) 9.189 2.928 ( -2.822 -0.112 4.934) 5.685 3.422 ( 0.139 0.967 -6.935) 7.003 3.507 ( -0.696 0.476 2.388) 2.532 3.656 ( -0.645 0.365 -1.768) 1.917 3.954 ( -0.474 0.575 -6.427) 6.470 3.958 ( -3.248 0.552 -5.580) 6.480 4.205 ( 1.309 0.010 4.144) 4.346 4.324 ( -2.434 -0.073 -0.653) 2.521 4.527 ( 7.935 0.330 2.439) 8.308 4.609 ( 13.403 0.325 -2.332) 13.608 4.888 ( -1.860 -0.815 4.666) 5.088 4.959 ( -0.623 -0.034 4.941) 4.980 5.012 ( -3.884 -0.318 0.715) 3.962 5.146 ( -1.335 0.158 -1.508) 2.021 5.333 ( 3.196 -0.064 5.846) 6.663 5.381 ( 1.977 -0.306 4.944) 5.334 5.794 ( -1.190 -6.167 -6.057) 8.726 5.943 ( 6.583 0.157 -9.861) 11.858 6.302 ( 3.930 -1.153 4.706) 6.238 6.402 ( -2.492 -1.561 1.506) 3.304 ======================= Grid point 173 (59/129) ======================= q-point: (-0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -13.310 0.262 4.951) 14.204 0.787 ( -7.765 3.096 3.997) 9.266 1.069 ( -5.332 -1.682 -4.523) 7.191 1.126 ( -1.659 0.531 -2.570) 3.105 1.324 ( -7.032 -1.463 3.627) 8.046 1.441 ( -16.401 5.030 11.446) 20.623 1.496 ( -8.729 5.387 -1.355) 10.347 1.643 ( -3.049 -6.443 1.756) 7.341 1.707 ( 0.872 -3.529 -4.814) 6.032 1.761 ( -4.023 -0.807 2.869) 5.007 1.898 ( -0.100 -3.247 -0.844) 3.356 1.945 ( -0.155 -0.160 2.041) 2.053 2.042 ( -2.027 2.613 0.306) 3.321 2.228 ( -4.229 1.900 -0.339) 4.648 2.361 ( -16.703 -0.340 0.633) 16.718 2.505 ( -13.758 0.067 -3.216) 14.129 2.942 ( 1.875 -0.086 3.212) 3.720 3.420 ( 0.166 1.615 -5.909) 6.128 3.455 ( -3.631 0.381 1.463) 3.933 3.622 ( -2.602 0.368 -7.006) 7.483 3.893 ( -2.131 0.700 -1.165) 2.527 3.957 ( 0.699 1.214 -6.481) 6.631 4.226 ( 0.819 -0.309 3.620) 3.725 4.249 ( -5.339 -0.282 0.216) 5.351 4.689 ( 7.618 0.329 0.670) 7.655 4.791 ( 2.968 -0.769 -2.092) 3.712 4.873 ( -0.664 -1.605 5.303) 5.581 4.955 ( -0.122 -0.022 2.001) 2.004 4.970 ( 1.542 0.548 2.128) 2.684 5.083 ( -3.964 0.344 -0.226) 3.985 5.404 ( 3.265 -0.223 5.889) 6.737 5.427 ( 2.404 -1.180 5.399) 6.027 5.771 ( -6.179 -12.850 -4.180) 14.859 6.055 ( 4.357 1.126 -12.499) 13.284 6.388 ( 1.735 0.766 2.831) 3.408 6.403 ( 5.376 -0.475 4.333) 6.921 ======================= Grid point 174 (60/129) ======================= q-point: (-0.17 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -8.656 6.525 8.230) 13.610 0.567 ( -10.239 6.327 11.090) 16.366 0.883 ( -12.244 6.128 4.829) 14.518 1.059 ( -12.800 2.282 5.400) 14.078 1.170 ( 1.916 -1.068 -5.222) 5.664 1.254 ( -2.754 -1.871 6.452) 7.260 1.328 ( -5.035 3.638 1.743) 6.451 1.574 ( -5.279 -3.174 0.361) 6.170 1.688 ( -4.995 -1.440 -5.611) 7.649 1.706 ( -1.016 -0.543 4.591) 4.733 1.899 ( -0.114 -0.960 -1.492) 1.778 1.964 ( 0.629 -2.926 3.514) 4.616 2.043 ( 1.338 0.062 -0.802) 1.561 2.157 ( -3.378 0.157 -2.741) 4.353 2.173 ( -0.784 -0.378 -0.877) 1.236 2.269 ( -9.168 0.670 -3.027) 9.678 2.975 ( 1.294 0.024 2.406) 2.732 3.381 ( -3.037 0.097 0.623) 3.102 3.404 ( -1.174 1.350 -2.244) 2.870 3.573 ( -1.519 -0.077 -13.875) 13.958 3.883 ( 1.624 0.587 2.070) 2.696 3.964 ( 0.815 1.173 -5.424) 5.609 4.114 ( -8.063 -0.261 1.458) 8.198 4.224 ( -2.153 -0.747 -0.234) 2.291 4.786 ( -0.379 -0.494 -0.075) 0.628 4.796 ( 0.820 0.220 -0.859) 1.208 4.899 ( 3.354 -4.220 7.614) 9.329 4.950 ( 0.126 0.110 1.791) 1.799 5.009 ( 0.287 0.301 1.387) 1.448 5.025 ( -0.594 0.954 1.285) 1.707 5.448 ( -4.931 -10.341 5.378) 12.656 5.459 ( 1.626 0.112 6.298) 6.506 5.696 ( -7.918 -15.715 0.077) 17.597 6.095 ( 0.623 0.346 -12.036) 12.057 6.435 ( 3.374 3.781 1.815) 5.382 6.525 ( 6.713 1.867 1.623) 7.154 ======================= Grid point 175 (61/129) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( 0.000 13.822 8.453) 16.202 0.414 ( 0.000 6.822 18.104) 19.346 0.639 ( 0.000 5.046 26.141) 26.624 0.952 ( 0.000 1.069 -5.164) 5.273 1.169 ( 0.000 1.444 -5.871) 6.046 1.256 ( -0.000 -1.924 3.545) 4.034 1.275 ( 0.000 0.762 3.008) 3.103 1.521 ( -0.000 -1.918 0.421) 1.964 1.615 ( -0.000 -0.616 -3.208) 3.266 1.721 ( -0.000 -3.079 4.947) 5.827 1.916 ( 0.000 2.089 -5.528) 5.910 1.965 ( -0.000 -0.509 3.777) 3.811 2.080 ( -0.000 -2.714 0.741) 2.813 2.141 ( 0.000 0.622 -3.422) 3.478 2.149 ( 0.000 0.256 -1.675) 1.695 2.191 ( 0.000 2.162 -4.246) 4.765 2.989 ( 0.000 0.052 1.793) 1.794 3.348 ( 0.000 0.020 0.342) 0.343 3.382 ( 0.000 0.018 -0.518) 0.518 3.562 ( 0.000 0.404 -16.498) 16.503 3.943 ( 0.000 0.090 4.893) 4.894 3.981 ( 0.000 0.137 0.236) 0.273 3.985 ( 0.000 0.145 0.143) 0.204 4.157 ( -0.000 -0.930 -3.038) 3.177 4.777 ( -0.000 -0.391 0.268) 0.474 4.789 ( -0.000 -0.492 -1.438) 1.520 4.952 ( -0.000 -0.085 2.417) 2.419 4.994 ( 0.000 0.643 3.803) 3.857 5.020 ( 0.000 0.065 0.226) 0.235 5.043 ( 0.000 0.070 -0.362) 0.368 5.378 ( -0.000 -30.607 19.465) 36.273 5.482 ( -0.000 -1.970 7.335) 7.595 5.675 ( -0.000 -8.244 3.495) 8.954 6.097 ( 0.000 0.862 -11.557) 11.589 6.449 ( 0.000 4.991 1.411) 5.186 6.598 ( 0.000 3.391 -2.763) 4.374 ======================= Grid point 178 (62/129) ======================= q-point: ( 0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 0.307 -0.000 0.831) 0.886 1.012 ( -2.952 0.000 -1.665) 3.389 1.339 ( 13.712 -0.000 3.096) 14.057 1.528 ( 7.972 -0.000 -2.274) 8.290 1.678 ( -1.077 0.000 -2.608) 2.822 1.678 ( -1.729 0.000 0.009) 1.729 1.739 ( 0.447 -0.000 -0.827) 0.940 1.754 ( 2.841 -0.000 -1.052) 3.029 1.767 ( -0.576 0.000 -0.390) 0.696 1.806 ( 11.442 -0.000 3.493) 11.963 1.905 ( 4.555 -0.000 0.423) 4.574 1.917 ( -3.248 0.000 5.972) 6.799 2.302 ( 8.874 -0.000 3.836) 9.667 2.419 ( 6.103 -0.000 -2.533) 6.608 2.783 ( -1.706 0.000 3.842) 4.204 3.072 ( 7.779 -0.000 3.084) 8.368 3.114 ( 15.370 -0.000 -0.089) 15.370 3.421 ( 0.903 -0.000 -5.892) 5.961 3.461 ( -4.687 0.000 2.969) 5.548 3.666 ( 0.943 -0.000 -0.517) 1.075 3.988 ( -1.576 0.000 -8.019) 8.172 3.993 ( 3.763 -0.000 -6.842) 7.809 4.161 ( -2.698 0.000 0.630) 2.770 4.269 ( -8.197 0.000 -3.437) 8.888 4.433 ( -0.483 0.000 7.144) 7.161 4.447 ( 1.494 -0.000 4.281) 4.535 4.950 ( 3.348 -0.000 4.343) 5.483 4.951 ( -2.201 0.000 3.907) 4.484 5.110 ( -4.224 0.000 -1.181) 4.386 5.112 ( 5.472 -0.000 0.026) 5.472 5.293 ( -1.332 0.000 4.028) 4.243 5.335 ( -2.534 0.000 4.426) 5.100 5.766 ( -5.995 0.000 -5.945) 8.443 5.872 ( -3.280 0.000 -11.762) 12.211 6.268 ( -2.633 0.000 7.800) 8.233 6.480 ( 2.294 -0.000 -0.536) 2.356 ======================= Grid point 179 (63/129) ======================= q-point: ( 0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 0.407 0.073 0.326) 0.527 0.958 ( -2.471 -0.117 -0.691) 2.569 1.490 ( -5.785 5.098 1.481) 7.852 1.520 ( 1.411 2.037 1.939) 3.147 1.609 ( -4.595 -0.531 0.271) 4.634 1.685 ( 2.323 -0.164 0.017) 2.329 1.739 ( 0.368 -3.249 -1.108) 3.452 1.810 ( 6.098 0.783 -1.694) 6.377 1.841 ( -0.343 -0.555 3.544) 3.604 1.907 ( 4.707 -1.490 1.665) 5.211 1.970 ( 2.985 -0.085 4.333) 5.262 2.057 ( 10.828 -0.069 -4.318) 11.657 2.396 ( 0.538 -0.609 -2.956) 3.066 2.517 ( 3.377 -0.092 -3.222) 4.669 2.758 ( -0.465 -0.058 11.270) 11.280 3.180 ( 3.288 -0.068 3.447) 4.764 3.322 ( 5.766 -0.013 -0.989) 5.850 3.342 ( -5.978 -0.021 2.439) 6.457 3.442 ( 1.323 0.012 -4.591) 4.778 3.676 ( -1.312 -0.002 -5.188) 5.351 3.880 ( -5.051 -0.041 -1.142) 5.179 4.056 ( 1.440 0.001 -3.648) 3.922 4.132 ( 0.309 0.038 -4.050) 4.062 4.206 ( 0.477 0.021 -4.058) 4.086 4.492 ( 5.495 0.015 10.243) 11.624 4.536 ( 6.304 -0.022 4.217) 7.584 4.870 ( -5.754 0.034 3.195) 6.581 4.967 ( -4.293 -0.046 1.352) 4.501 5.066 ( 2.933 0.035 1.727) 3.404 5.223 ( 5.242 0.033 -0.920) 5.322 5.255 ( -2.816 0.000 2.481) 3.753 5.291 ( -1.695 -0.056 4.043) 4.384 5.656 ( -4.973 0.049 -4.903) 6.984 5.812 ( -2.588 0.285 -11.791) 12.075 6.222 ( -1.869 0.250 8.471) 8.678 6.508 ( 0.595 0.225 -1.877) 1.982 ======================= Grid point 180 (64/129) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -0.750 0.327 0.539) 0.979 0.929 ( 1.097 -0.361 -0.279) 1.188 1.345 ( -5.122 4.681 2.569) 7.399 1.462 ( -3.410 0.223 -0.439) 3.445 1.487 ( -8.781 -5.028 2.783) 10.494 1.706 ( -4.389 -3.876 -1.773) 6.118 1.777 ( 3.366 1.782 0.693) 3.871 1.855 ( 3.212 0.761 4.139) 5.294 1.931 ( 5.433 2.567 -1.188) 6.125 2.003 ( 0.706 -0.032 3.795) 3.861 2.008 ( 3.368 -0.476 0.425) 3.428 2.184 ( -0.837 -0.064 -6.026) 6.084 2.395 ( 2.185 -0.289 -4.468) 4.982 2.549 ( 0.043 -0.023 -3.131) 3.132 2.759 ( 0.164 -0.078 14.247) 14.248 3.214 ( 0.389 0.069 3.548) 3.570 3.276 ( 0.027 0.009 1.616) 1.617 3.373 ( 0.077 -0.011 -1.140) 1.142 3.460 ( -0.337 -0.058 -3.013) 3.033 3.638 ( 0.393 0.004 -10.445) 10.452 3.848 ( -0.089 -0.000 3.188) 3.189 4.063 ( -0.004 -0.004 -1.325) 1.325 4.141 ( -0.206 -0.004 -5.999) 6.003 4.215 ( -0.148 0.014 -4.537) 4.539 4.571 ( -0.159 -0.002 11.781) 11.782 4.643 ( 0.226 -0.002 4.957) 4.962 4.769 ( -0.263 0.004 2.180) 2.195 4.901 ( 0.412 -0.000 -2.023) 2.065 5.126 ( -0.154 0.004 4.663) 4.666 5.203 ( -0.048 0.003 0.773) 0.774 5.271 ( -0.009 -0.009 1.988) 1.988 5.291 ( 0.240 -0.005 0.663) 0.705 5.595 ( -0.198 0.003 -4.675) 4.679 5.773 ( -1.162 0.005 -11.194) 11.254 6.195 ( -0.743 0.003 8.254) 8.288 6.505 ( -0.811 0.001 -2.443) 2.574 ======================= Grid point 181 (65/129) ======================= q-point: (-0.58 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -0.480 -0.029 1.424) 1.503 0.972 ( 2.507 0.260 -0.802) 2.645 1.258 ( -3.505 -1.770 3.667) 5.373 1.332 ( -8.222 -4.118 1.919) 9.394 1.421 ( -1.467 -3.185 -0.795) 3.595 1.620 ( -5.952 -3.382 -2.915) 7.440 1.804 ( 0.985 0.986 -0.202) 1.408 1.916 ( 2.375 1.955 3.741) 4.844 1.962 ( -2.250 0.064 4.492) 5.025 1.999 ( -1.251 2.439 -0.752) 2.842 2.034 ( -0.981 2.543 -0.143) 2.729 2.063 ( -6.789 0.145 -3.073) 7.453 2.460 ( 2.006 1.075 -2.947) 3.724 2.528 ( -2.051 0.214 -2.608) 3.325 2.764 ( 0.619 0.091 10.825) 10.844 3.192 ( -2.917 0.324 3.325) 4.435 3.324 ( -5.829 0.031 -0.862) 5.893 3.345 ( 6.291 0.061 1.978) 6.595 3.439 ( -1.025 -0.125 -4.591) 4.706 3.675 ( 0.575 -0.023 -4.902) 4.936 3.885 ( 5.700 0.094 -2.814) 6.358 4.056 ( -1.562 -0.015 -4.352) 4.624 4.127 ( -0.174 -0.097 -3.733) 3.738 4.204 ( -0.231 -0.033 -3.835) 3.842 4.491 ( -5.378 -0.027 10.245) 11.570 4.538 ( -6.317 0.052 4.151) 7.559 4.865 ( 5.658 -0.090 3.291) 6.546 4.973 ( 3.729 0.151 1.189) 3.917 5.062 ( -2.745 -0.088 1.680) 3.220 5.220 ( -5.366 -0.039 -1.002) 5.459 5.254 ( 2.782 -0.043 2.458) 3.712 5.298 ( 1.773 0.158 3.902) 4.289 5.653 ( 5.096 0.032 -5.088) 7.201 5.766 ( 0.101 -1.172 -9.858) 9.928 6.194 ( 0.592 -0.478 7.219) 7.259 6.478 ( -2.011 -0.644 -2.196) 3.046 ======================= Grid point 182 (66/129) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -0.203 -0.283 1.429) 1.470 1.013 ( 1.387 0.029 -1.395) 1.968 1.128 ( -10.081 -4.471 4.343) 11.852 1.289 ( -1.250 -6.200 -0.060) 6.325 1.434 ( 0.583 -4.121 -1.672) 4.485 1.530 ( -4.008 -3.888 -3.262) 6.467 1.789 ( -12.489 0.041 4.569) 13.298 1.807 ( -0.622 1.322 -2.005) 2.481 1.910 ( -4.519 0.533 0.551) 4.583 1.925 ( -0.844 1.556 3.099) 3.569 1.948 ( -4.154 4.237 0.572) 5.961 2.025 ( -1.478 1.810 0.715) 2.443 2.417 ( -5.428 2.986 2.069) 6.531 2.465 ( -3.875 1.349 -1.854) 4.503 2.788 ( 1.567 0.149 3.711) 4.031 3.081 ( -8.330 0.287 2.695) 8.760 3.110 ( -15.769 -0.140 0.029) 15.769 3.429 ( -0.010 0.230 -6.205) 6.209 3.471 ( 5.070 0.290 2.690) 5.746 3.665 ( -0.456 -0.046 -0.530) 0.700 3.994 ( -2.687 0.058 -7.191) 7.677 3.995 ( 1.106 0.159 -8.178) 8.254 4.163 ( 2.963 0.066 0.876) 3.090 4.276 ( 8.295 0.230 -3.752) 9.107 4.434 ( 0.749 0.048 7.108) 7.147 4.451 ( -1.096 0.120 4.314) 4.452 4.937 ( -3.782 -0.341 4.458) 5.856 4.946 ( 2.046 -0.156 4.060) 4.549 5.099 ( -3.084 0.141 -0.398) 3.113 5.120 ( 1.577 -0.174 -1.062) 1.909 5.293 ( 1.325 -0.021 4.091) 4.300 5.339 ( 2.158 0.090 4.111) 4.644 5.742 ( 1.470 -0.898 -6.271) 6.504 5.806 ( 4.638 -2.144 -7.706) 9.246 6.225 ( 2.217 -0.779 5.412) 5.900 6.433 ( -3.052 -1.450 -0.987) 3.520 ======================= Grid point 183 (67/129) ======================= q-point: (-0.42 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -4.015 -1.634 0.903) 4.428 0.938 ( -7.458 0.959 4.290) 8.657 1.040 ( -0.236 -1.568 -2.004) 2.556 1.246 ( -5.745 -3.139 -3.652) 7.496 1.457 ( -5.269 -5.251 -0.632) 7.466 1.529 ( 0.164 -4.915 0.669) 4.963 1.580 ( -4.149 -4.062 5.743) 8.167 1.732 ( -5.645 4.311 -2.301) 7.467 1.787 ( -7.382 4.133 1.652) 8.620 1.844 ( -4.924 0.148 2.108) 5.358 1.900 ( -0.784 1.264 -0.050) 1.488 1.967 ( -3.272 -0.645 1.326) 3.589 2.236 ( -9.713 4.247 4.106) 11.369 2.364 ( -5.195 2.333 -0.829) 5.755 2.738 ( -20.488 -0.374 0.732) 20.505 2.757 ( -8.588 0.110 -3.278) 9.193 2.927 ( -2.918 -0.101 4.889) 5.695 3.432 ( 0.542 0.918 -7.202) 7.280 3.512 ( -0.671 0.466 2.373) 2.510 3.660 ( -0.417 0.364 -1.648) 1.739 3.960 ( -0.055 0.568 -6.148) 6.174 3.964 ( -3.049 0.587 -5.507) 6.322 4.205 ( 1.173 0.013 4.314) 4.471 4.323 ( -2.541 -0.068 -0.526) 2.596 4.531 ( 8.068 0.320 2.384) 8.419 4.613 ( 13.205 0.416 -2.453) 13.437 4.878 ( -2.238 -0.938 4.933) 5.498 4.959 ( -0.387 0.014 5.094) 5.109 5.009 ( -3.870 -0.221 0.662) 3.932 5.148 ( -1.293 0.131 -1.556) 2.028 5.332 ( 3.155 -0.102 5.920) 6.709 5.377 ( 1.626 -0.356 4.750) 5.033 5.726 ( -4.474 -6.403 -4.224) 8.880 5.944 ( 7.506 0.040 -9.392) 12.023 6.293 ( 4.341 -0.515 3.471) 5.582 6.384 ( -2.181 -1.747 1.457) 3.152 ======================= Grid point 184 (68/129) ======================= q-point: (-0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -8.954 3.589 4.151) 10.502 0.825 ( -6.151 4.080 3.611) 8.217 1.040 ( -2.203 -3.433 -4.119) 5.797 1.135 ( -3.979 0.842 -1.266) 4.260 1.309 ( -6.416 -1.537 5.662) 8.694 1.494 ( -15.855 2.431 11.455) 19.710 1.544 ( -6.272 2.639 -0.308) 6.812 1.580 ( -3.079 -2.757 -0.359) 4.149 1.668 ( 0.878 -3.240 -6.300) 7.138 1.756 ( -3.634 -0.206 2.585) 4.464 1.866 ( -2.305 -2.862 -0.926) 3.790 1.943 ( -0.100 -0.211 1.774) 1.789 2.064 ( -4.430 1.662 0.508) 4.759 2.246 ( -5.337 1.553 -0.501) 5.581 2.357 ( -16.584 -0.401 0.683) 16.602 2.506 ( -13.642 0.107 -3.127) 13.996 2.941 ( 1.919 -0.103 3.419) 3.922 3.438 ( 0.449 1.698 -6.171) 6.416 3.460 ( -3.656 0.444 1.389) 3.936 3.626 ( -2.858 0.459 -6.812) 7.402 3.902 ( -2.049 0.871 -0.824) 2.374 3.971 ( 1.061 1.380 -5.827) 6.082 4.222 ( 0.575 -0.357 3.659) 3.721 4.246 ( -5.459 -0.307 0.265) 5.474 4.692 ( 7.469 0.254 0.628) 7.500 4.783 ( 2.397 -0.751 -1.329) 2.842 4.853 ( -1.858 -2.196 5.657) 6.346 4.955 ( -0.606 -0.091 1.663) 1.773 4.977 ( 2.438 0.760 2.371) 3.485 5.087 ( -3.669 0.406 -0.044) 3.692 5.398 ( 1.840 -0.977 4.986) 5.404 5.416 ( 2.368 -0.715 6.317) 6.784 5.636 ( -9.223 -12.368 -0.866) 15.453 6.063 ( 3.747 0.391 -12.321) 12.884 6.396 ( 3.448 0.439 3.315) 4.803 6.399 ( 6.233 -0.035 2.694) 6.790 ======================= Grid point 185 (69/129) ======================= q-point: (-0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -3.417 11.044 7.032) 13.531 0.639 ( -8.094 7.125 10.780) 15.248 0.943 ( -7.280 4.279 -2.105) 8.703 1.098 ( -15.048 5.300 10.702) 19.212 1.151 ( 1.983 -2.500 -0.879) 3.310 1.240 ( -2.611 -0.597 5.849) 6.433 1.375 ( -6.225 5.126 0.205) 8.067 1.530 ( -4.788 -4.865 0.257) 6.831 1.668 ( -4.231 -2.378 -6.709) 8.281 1.702 ( -1.576 -0.145 3.534) 3.872 1.871 ( 0.971 -4.232 -1.343) 4.545 1.940 ( 0.159 -1.500 4.451) 4.700 2.043 ( 0.869 -0.197 -2.437) 2.595 2.156 ( -4.013 -0.530 -1.753) 4.411 2.166 ( -1.379 -0.750 -1.977) 2.524 2.275 ( -8.716 0.400 -3.193) 9.291 2.976 ( 1.350 0.012 2.837) 3.141 3.383 ( -3.179 0.177 0.665) 3.253 3.420 ( -1.895 1.521 -2.154) 3.247 3.572 ( -1.393 -0.073 -13.893) 13.963 3.891 ( 1.510 0.822 2.427) 2.974 3.979 ( 0.587 1.587 -4.824) 5.112 4.111 ( -7.921 -0.321 1.323) 8.038 4.215 ( -2.682 -1.087 -0.607) 2.957 4.779 ( -1.199 -1.068 0.844) 1.814 4.797 ( -0.174 -0.219 -0.628) 0.688 4.837 ( 1.466 -6.970 11.930) 13.895 4.951 ( 0.258 0.098 1.733) 1.755 5.015 ( 0.622 0.697 1.235) 1.549 5.036 ( -0.748 1.132 1.801) 2.255 5.315 ( -15.532 -12.485 7.412) 21.261 5.461 ( 1.790 0.153 6.543) 6.785 5.580 ( -0.340 -7.321 2.179) 7.646 6.092 ( 0.030 -0.706 -10.960) 10.983 6.470 ( 3.805 2.964 0.799) 4.889 6.544 ( 7.968 1.620 0.864) 8.177 ======================= Grid point 186 (70/129) ======================= q-point: (-0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 0.000 14.227 7.218) 15.953 0.508 ( 0.000 10.452 14.667) 18.010 0.719 ( 0.000 10.165 20.308) 22.709 0.967 ( 0.000 1.533 -1.640) 2.245 1.191 ( 0.000 2.637 -5.178) 5.811 1.222 ( -0.000 -4.372 2.324) 4.951 1.292 ( 0.000 2.549 4.578) 5.240 1.492 ( -0.000 -3.654 0.407) 3.677 1.605 ( -0.000 -1.220 -4.103) 4.280 1.697 ( -0.000 -1.394 4.670) 4.874 1.915 ( -0.000 -2.557 -4.445) 5.128 1.957 ( -0.000 -0.859 4.169) 4.257 2.053 ( -0.000 -1.977 -1.658) 2.580 2.139 ( -0.000 -0.986 -2.687) 2.862 2.153 ( 0.000 0.419 -1.751) 1.800 2.212 ( 0.000 1.059 -8.966) 9.028 2.990 ( 0.000 0.066 2.310) 2.310 3.348 ( 0.000 0.036 0.340) 0.342 3.382 ( 0.000 0.032 -0.520) 0.521 3.567 ( 0.000 0.485 -15.959) 15.966 3.944 ( 0.000 0.207 4.915) 4.919 3.983 ( 0.000 0.237 0.237) 0.335 3.987 ( 0.000 0.250 0.142) 0.287 4.144 ( -0.000 -1.395 -2.704) 3.042 4.766 ( -0.000 -2.744 2.854) 3.959 4.777 ( -0.000 -1.430 1.652) 2.185 4.944 ( -0.000 -3.118 6.253) 6.987 4.988 ( -0.000 -4.795 9.625) 10.753 5.021 ( 0.000 0.113 0.211) 0.240 5.044 ( 0.000 0.120 -0.378) 0.397 5.068 ( -0.000 -16.154 24.478) 29.328 5.479 ( 0.000 0.114 6.543) 6.544 5.618 ( -0.000 -4.405 1.969) 4.825 6.095 ( -0.000 -0.841 -10.338) 10.372 6.492 ( 0.000 3.527 0.472) 3.558 6.630 ( 0.000 2.486 -3.250) 4.091 ======================= Grid point 191 (71/129) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -1.484 0.000 0.495) 1.564 0.927 ( 1.877 -0.000 -0.253) 1.894 1.387 ( -5.647 0.000 1.481) 5.838 1.430 ( -7.871 0.000 4.463) 9.048 1.476 ( -5.880 0.000 -1.010) 5.966 1.684 ( -3.853 0.000 -1.940) 4.314 1.787 ( 2.670 -0.000 0.924) 2.825 1.860 ( 3.939 -0.000 4.036) 5.640 1.944 ( 4.966 -0.000 -0.853) 5.039 2.003 ( 0.722 -0.000 3.596) 3.668 2.005 ( 4.497 -0.000 0.351) 4.511 2.184 ( -1.000 0.000 -6.060) 6.142 2.394 ( 2.540 -0.000 -4.459) 5.132 2.549 ( 0.053 -0.000 -3.150) 3.151 2.758 ( 0.187 -0.000 14.258) 14.259 3.215 ( 0.450 -0.000 3.541) 3.569 3.276 ( 0.031 -0.000 1.622) 1.622 3.373 ( 0.089 -0.000 -1.145) 1.149 3.460 ( -0.390 0.000 -3.000) 3.025 3.638 ( 0.453 -0.000 -10.449) 10.459 3.848 ( -0.102 0.000 3.188) 3.190 4.063 ( -0.004 0.000 -1.325) 1.325 4.141 ( -0.238 0.000 -6.000) 6.004 4.215 ( -0.171 0.000 -4.541) 4.544 4.571 ( -0.183 0.000 11.781) 11.783 4.643 ( 0.261 -0.000 4.958) 4.965 4.769 ( -0.303 0.000 2.180) 2.201 4.901 ( 0.476 -0.000 -2.024) 2.080 5.126 ( -0.177 0.000 4.663) 4.667 5.203 ( -0.056 0.000 0.772) 0.774 5.271 ( -0.011 0.000 1.988) 1.988 5.291 ( 0.276 -0.000 0.663) 0.718 5.595 ( -0.229 0.000 -4.674) 4.680 5.773 ( -1.341 0.000 -11.195) 11.275 6.195 ( -0.858 0.000 8.255) 8.299 6.505 ( -0.937 0.000 -2.442) 2.616 ======================= Grid point 192 (72/129) ======================= q-point: (-0.67 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -0.498 -0.003 1.610) 1.686 0.974 ( 2.591 0.092 -0.799) 2.713 1.251 ( -8.092 0.146 4.624) 9.321 1.296 ( -5.435 -2.274 1.538) 6.089 1.400 ( -2.048 -0.967 -1.169) 2.548 1.595 ( -5.339 -1.260 -3.126) 6.314 1.811 ( 0.838 0.299 -0.088) 0.894 1.931 ( 2.162 0.704 3.625) 4.279 1.962 ( -2.916 -0.075 5.115) 5.888 2.016 ( -1.769 0.794 -1.455) 2.425 2.054 ( -4.032 1.180 -2.106) 4.700 2.063 ( -2.168 -0.102 -1.077) 2.423 2.467 ( 2.466 0.368 -2.901) 3.825 2.529 ( -1.823 0.078 -2.527) 3.117 2.765 ( 0.691 0.028 10.748) 10.770 3.195 ( -2.878 0.127 3.295) 4.377 3.324 ( -5.863 0.011 -0.847) 5.923 3.346 ( 6.363 0.023 1.912) 6.644 3.438 ( -0.962 -0.052 -4.576) 4.677 3.675 ( 0.466 -0.010 -4.864) 4.886 3.886 ( 5.783 0.033 -3.067) 6.546 4.056 ( -1.581 -0.006 -4.460) 4.732 4.126 ( -0.148 -0.035 -3.684) 3.688 4.204 ( -0.195 -0.011 -3.813) 3.818 4.491 ( -5.357 -0.009 10.249) 11.565 4.539 ( -6.320 0.019 4.138) 7.554 4.865 ( 5.643 -0.033 3.307) 6.541 4.975 ( 3.642 0.057 1.167) 3.825 5.061 ( -2.697 -0.031 1.666) 3.170 5.219 ( -5.429 -0.012 -1.021) 5.524 5.253 ( 2.825 -0.018 2.466) 3.749 5.300 ( 1.784 0.059 3.869) 4.261 5.653 ( 5.282 0.033 -5.109) 7.348 5.757 ( -0.550 -0.463 -9.509) 9.536 6.191 ( 0.482 -0.163 6.979) 6.997 6.474 ( -2.246 -0.238 -2.243) 3.183 ======================= Grid point 193 (73/129) ======================= q-point: (-0.58 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -0.566 -0.269 1.516) 1.641 1.014 ( 1.103 0.199 -1.287) 1.707 1.092 ( -8.102 -2.417 4.886) 9.765 1.236 ( -2.431 -3.519 0.163) 4.280 1.401 ( 1.011 -2.217 -1.688) 2.964 1.498 ( -4.867 -2.079 -3.633) 6.420 1.789 ( -12.598 -0.007 4.674) 13.437 1.817 ( -0.273 0.678 -2.060) 2.185 1.912 ( -4.626 -0.052 0.886) 4.710 1.938 ( -0.717 0.810 3.161) 3.341 1.989 ( -3.798 3.130 0.218) 4.927 2.036 ( -2.981 0.287 0.473) 3.032 2.442 ( -4.781 1.653 1.724) 5.345 2.477 ( -3.376 0.782 -1.703) 3.861 2.789 ( 1.533 0.094 3.704) 4.010 3.083 ( -8.442 0.179 2.618) 8.840 3.108 ( -15.906 -0.087 0.038) 15.906 3.431 ( 0.213 0.128 -6.273) 6.278 3.474 ( 5.155 0.165 2.619) 5.784 3.664 ( -0.336 -0.027 -0.538) 0.635 3.995 ( -3.158 0.021 -7.057) 7.731 3.996 ( 1.748 0.095 -8.420) 8.600 4.163 ( 3.025 0.039 0.931) 3.165 4.278 ( 8.303 0.135 -3.856) 9.156 4.435 ( 0.810 0.029 7.119) 7.165 4.452 ( -0.969 0.073 4.292) 4.400 4.935 ( -4.052 -0.194 4.475) 6.040 4.944 ( 2.159 -0.089 4.114) 4.647 5.101 ( -4.364 0.287 -0.304) 4.384 5.117 ( 2.821 -0.286 -1.235) 3.093 5.293 ( 1.317 -0.013 4.089) 4.296 5.340 ( 2.036 0.046 4.015) 4.502 5.733 ( -1.377 -0.677 -6.236) 6.422 5.788 ( 6.549 -1.197 -6.620) 9.388 6.219 ( 2.354 -0.323 4.657) 5.228 6.420 ( -3.303 -0.870 -1.081) 3.583 ======================= Grid point 194 (74/129) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -3.911 -1.107 0.288) 4.075 0.960 ( -3.401 2.862 4.747) 6.503 1.024 ( -1.366 -1.280 -1.982) 2.726 1.207 ( -3.404 -4.183 -2.063) 5.774 1.408 ( -4.059 -3.420 -2.215) 5.751 1.479 ( 1.715 -4.449 -1.856) 5.117 1.552 ( -9.425 -1.579 9.632) 13.568 1.770 ( -3.968 2.842 -2.541) 5.503 1.818 ( -4.978 1.128 1.824) 5.420 1.856 ( -7.431 2.671 1.135) 7.978 1.912 ( -2.250 0.767 0.070) 2.378 1.957 ( -3.613 -1.170 1.239) 3.995 2.273 ( -10.260 2.726 3.760) 11.262 2.385 ( -5.256 1.580 -0.761) 5.541 2.735 ( -20.618 -0.268 0.753) 20.633 2.758 ( -8.576 0.088 -3.305) 9.191 2.926 ( -3.003 -0.067 4.851) 5.706 3.440 ( 0.858 0.644 -7.434) 7.511 3.516 ( -0.647 0.335 2.357) 2.467 3.663 ( -0.215 0.266 -1.549) 1.587 3.966 ( 0.332 0.408 -5.906) 5.929 3.970 ( -2.871 0.458 -5.468) 6.193 4.205 ( 1.059 0.012 4.465) 4.588 4.323 ( -2.630 -0.047 -0.418) 2.664 4.534 ( 8.168 0.228 2.335) 8.498 4.617 ( 13.123 0.382 -2.647) 13.392 4.869 ( -2.712 -0.782 5.221) 5.936 4.959 ( -0.129 0.045 5.236) 5.237 5.007 ( -3.893 -0.087 0.657) 3.949 5.149 ( -1.246 0.063 -1.620) 2.045 5.331 ( 3.090 -0.104 5.983) 6.735 5.374 ( 1.338 -0.286 4.547) 4.748 5.665 ( -6.917 -4.829 -2.618) 8.833 5.944 ( 8.112 0.006 -9.051) 12.154 6.290 ( 4.758 0.043 2.358) 5.310 6.367 ( -2.010 -1.484 1.528) 2.929 ======================= Grid point 195 (75/129) ======================= q-point: (-0.42 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -3.968 5.399 1.761) 6.928 0.874 ( -4.856 5.436 3.676) 8.164 1.004 ( -1.729 -3.191 -3.345) 4.935 1.137 ( -4.170 -0.741 1.115) 4.380 1.294 ( -5.383 -1.191 4.962) 7.417 1.447 ( -7.289 -7.527 9.829) 14.367 1.556 ( -0.518 -2.257 -0.830) 2.460 1.606 ( -9.904 5.785 0.828) 11.500 1.663 ( -4.662 2.509 -5.350) 7.527 1.755 ( -3.298 -0.132 1.690) 3.708 1.836 ( -3.893 -2.828 -0.601) 4.849 1.940 ( -0.216 -0.197 1.378) 1.408 2.077 ( -6.609 0.718 0.631) 6.678 2.260 ( -6.415 0.986 -0.598) 6.518 2.352 ( -16.494 -0.355 0.758) 16.516 2.507 ( -13.575 0.111 -3.051) 13.914 2.940 ( 1.952 -0.096 3.624) 4.117 3.454 ( 0.548 1.337 -6.231) 6.397 3.464 ( -3.549 0.389 1.098) 3.736 3.631 ( -3.099 0.430 -6.575) 7.281 3.911 ( -1.985 0.819 -0.504) 2.206 3.985 ( 1.424 1.181 -5.217) 5.536 4.218 ( 0.312 -0.315 3.688) 3.714 4.243 ( -5.569 -0.251 0.315) 5.584 4.694 ( 7.026 -0.005 0.760) 7.067 4.777 ( 1.554 -0.325 -0.384) 1.633 4.829 ( -2.791 -2.332 5.692) 6.754 4.953 ( -0.892 -0.126 1.498) 1.748 4.985 ( 3.022 0.774 2.556) 4.034 5.091 ( -3.359 0.324 0.152) 3.378 5.385 ( -0.811 -1.216 4.253) 4.497 5.411 ( 3.173 -0.272 6.901) 7.600 5.520 ( -9.733 -9.311 1.380) 13.540 6.065 ( 3.124 0.089 -11.984) 12.385 6.394 ( 6.166 -0.290 4.565) 7.677 6.405 ( 5.615 0.695 0.701) 5.701 ======================= Grid point 196 (76/129) ======================= q-point: (-0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -0.266 12.734 4.847) 13.628 0.715 ( -6.268 7.251 10.221) 14.012 0.964 ( -3.291 -0.060 -3.689) 4.944 1.119 ( 1.301 -2.918 4.216) 5.290 1.164 ( -16.062 5.819 13.219) 21.601 1.242 ( -0.950 1.019 3.102) 3.401 1.434 ( -6.416 5.850 -0.503) 8.697 1.478 ( -4.951 -4.404 -0.024) 6.626 1.639 ( -3.100 -3.110 -8.069) 9.186 1.701 ( -2.025 -0.242 2.063) 2.901 1.820 ( 0.335 -5.102 0.304) 5.122 1.928 ( -0.240 -0.882 4.256) 4.353 2.036 ( 1.149 -1.146 -3.816) 4.146 2.145 ( -5.714 -1.339 -0.388) 5.881 2.160 ( -1.649 -0.521 -3.235) 3.668 2.277 ( -8.904 0.004 -3.004) 9.397 2.976 ( 1.402 -0.017 3.309) 3.594 3.385 ( -3.340 0.192 0.706) 3.419 3.435 ( -2.818 1.207 -1.951) 3.634 3.571 ( -1.245 -0.037 -13.878) 13.934 3.900 ( 1.374 0.851 2.843) 3.270 3.996 ( 0.323 1.565 -4.089) 4.390 4.108 ( -7.754 -0.284 1.185) 7.849 4.202 ( -3.314 -1.184 -0.998) 3.658 4.731 ( -6.753 -7.989 16.573) 19.598 4.781 ( -1.529 -0.989 1.888) 2.623 4.806 ( 3.621 0.014 -0.354) 3.639 4.952 ( 0.466 0.030 1.677) 1.741 5.023 ( 0.602 0.770 0.936) 1.354 5.048 ( -0.632 1.118 2.403) 2.725 5.214 ( -14.408 -6.674 5.296) 16.739 5.462 ( 1.848 0.085 6.644) 6.897 5.519 ( 2.326 -4.723 2.810) 5.968 6.083 ( -0.341 -0.837 -10.061) 10.101 6.498 ( 4.144 2.310 0.563) 4.778 6.559 ( 8.582 1.124 0.732) 8.687 ======================= Grid point 197 (77/129) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 0.000 11.390 10.597) 15.557 0.624 ( 0.000 11.300 11.919) 16.424 0.842 ( 0.000 11.895 8.699) 14.737 0.983 ( 0.000 1.671 5.369) 5.623 1.171 ( -0.000 -4.882 4.221) 6.454 1.223 ( 0.000 3.340 -4.053) 5.252 1.330 ( 0.000 4.667 2.561) 5.324 1.446 ( -0.000 -4.975 0.351) 4.987 1.590 ( -0.000 -1.731 -5.529) 5.794 1.688 ( -0.000 -0.544 3.101) 3.148 1.868 ( -0.000 -5.979 -0.961) 6.055 1.948 ( -0.000 -0.959 4.716) 4.813 2.039 ( -0.000 -0.884 -4.160) 4.253 2.122 ( -0.000 -2.169 -3.687) 4.277 2.158 ( 0.000 0.449 -1.851) 1.905 2.206 ( -0.000 -2.115 -9.229) 9.468 2.991 ( 0.000 0.036 2.972) 2.972 3.348 ( 0.000 0.043 0.337) 0.340 3.383 ( 0.000 0.039 -0.522) 0.524 3.571 ( 0.000 0.285 -15.271) 15.273 3.947 ( 0.000 0.319 4.991) 5.001 3.986 ( 0.000 0.273 0.238) 0.362 3.990 ( 0.000 0.287 0.140) 0.319 4.130 ( -0.000 -1.151 -2.113) 2.406 4.686 ( -0.000 -10.828 26.279) 28.423 4.769 ( -0.000 -0.537 0.988) 1.125 4.865 ( -0.000 -4.491 8.969) 10.031 4.963 ( -0.000 -0.074 3.050) 3.051 5.022 ( 0.000 0.131 0.191) 0.232 5.038 ( 0.000 1.102 5.229) 5.344 5.046 ( 0.000 0.138 -0.400) 0.423 5.481 ( 0.000 0.188 6.638) 6.641 5.571 ( -0.000 -4.391 1.990) 4.821 6.084 ( -0.000 -1.119 -9.354) 9.421 6.526 ( 0.000 2.954 0.530) 3.001 6.651 ( 0.000 1.484 -2.383) 2.807 ======================= Grid point 204 (78/129) ======================= q-point: (-0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -0.797 0.000 1.534) 1.729 1.015 ( 1.229 -0.000 -1.311) 1.797 1.079 ( -7.331 0.000 5.202) 8.989 1.218 ( -3.115 0.000 0.194) 3.121 1.389 ( 1.213 -0.000 -1.678) 2.070 1.487 ( -5.155 0.000 -3.762) 6.381 1.789 ( -12.635 0.000 4.693) 13.479 1.821 ( -0.140 0.000 -2.096) 2.101 1.911 ( -4.674 0.000 0.983) 4.776 1.942 ( -0.693 0.000 3.185) 3.259 2.008 ( -3.255 0.000 -0.073) 3.255 2.035 ( -3.895 0.000 0.598) 3.940 2.451 ( -4.559 0.000 1.600) 4.831 2.481 ( -3.198 0.000 -1.650) 3.599 2.790 ( 1.521 -0.000 3.705) 4.005 3.084 ( -8.472 0.000 2.595) 8.861 3.108 ( -15.968 0.000 0.036) 15.968 3.432 ( 0.295 -0.000 -6.297) 6.304 3.475 ( 5.185 -0.000 2.592) 5.797 3.664 ( -0.293 0.000 -0.542) 0.616 3.995 ( -3.143 0.000 -7.060) 7.728 3.997 ( 1.798 -0.000 -8.454) 8.643 4.164 ( 3.047 -0.000 0.950) 3.192 4.279 ( 8.304 -0.000 -3.897) 9.173 4.435 ( 0.832 -0.000 7.124) 7.172 4.453 ( -0.918 0.000 4.281) 4.378 4.934 ( -4.149 0.000 4.480) 6.106 4.944 ( 2.198 -0.000 4.136) 4.683 5.103 ( -5.708 0.000 -0.175) 5.711 5.115 ( 4.154 -0.000 -1.394) 4.382 5.293 ( 1.313 -0.000 4.088) 4.294 5.340 ( 1.988 -0.000 3.974) 4.444 5.729 ( -2.690 0.000 -6.165) 6.726 5.781 ( 7.507 -0.000 -6.270) 9.781 6.217 ( 2.426 -0.000 4.375) 5.002 6.416 ( -3.405 0.000 -1.114) 3.583 ======================= Grid point 206 (79/129) ======================= q-point: (-0.58 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -2.839 -0.289 -0.312) 2.871 0.990 ( -1.166 2.218 5.377) 5.932 1.014 ( -1.745 -0.711 -1.957) 2.717 1.166 ( -3.057 -2.709 -1.059) 4.219 1.388 ( -5.100 -0.573 -2.889) 5.890 1.442 ( 2.959 -2.117 -2.629) 4.489 1.542 ( -11.255 -0.411 10.555) 15.436 1.792 ( -2.664 1.259 -2.773) 4.047 1.819 ( -4.473 -0.350 2.035) 4.927 1.889 ( -7.880 2.632 0.334) 8.314 1.914 ( -5.107 -0.512 -0.098) 5.134 1.945 ( -2.010 -0.842 1.758) 2.800 2.292 ( -10.620 0.938 3.583) 11.248 2.396 ( -5.339 0.555 -0.729) 5.417 2.733 ( -20.689 -0.097 0.765) 20.703 2.759 ( -8.569 0.034 -3.317) 9.189 2.926 ( -3.054 -0.023 4.829) 5.714 3.445 ( 1.027 0.230 -7.567) 7.640 3.519 ( -0.632 0.121 2.346) 2.433 3.665 ( -0.097 0.097 -1.494) 1.500 3.969 ( 0.548 0.148 -5.771) 5.798 3.973 ( -2.747 0.174 -5.452) 6.107 4.205 ( 0.993 0.005 4.553) 4.660 4.322 ( -2.680 -0.017 -0.357) 2.704 4.535 ( 8.217 0.082 2.307) 8.535 4.620 ( 13.132 0.160 -2.814) 13.431 4.863 ( -3.068 -0.310 5.427) 6.242 4.959 ( 0.046 0.024 5.319) 5.319 5.007 ( -3.926 -0.013 0.676) 3.984 5.149 ( -1.219 0.011 -1.667) 2.065 5.331 ( 3.038 -0.045 6.033) 6.754 5.371 ( 1.186 -0.109 4.389) 4.548 5.629 ( -8.196 -1.794 -1.694) 8.560 5.944 ( 8.420 0.000 -8.868) 12.229 6.292 ( 5.125 0.136 1.633) 5.381 6.355 ( -2.060 -0.627 1.692) 2.738 ======================= Grid point 207 (80/129) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -0.153 3.670 -1.396) 3.929 0.939 ( -4.121 5.913 2.610) 7.666 0.980 ( -1.157 -0.369 -0.977) 1.559 1.111 ( -3.978 -4.539 3.398) 6.926 1.286 ( -3.811 -0.263 2.416) 4.520 1.377 ( -8.213 -4.928 12.296) 15.586 1.522 ( 2.714 -3.058 -3.193) 5.188 1.666 ( -10.918 5.009 0.860) 12.043 1.697 ( -6.348 3.085 -2.924) 7.639 1.751 ( -3.073 -0.626 -0.333) 3.154 1.807 ( -4.642 -2.593 0.580) 5.349 1.939 ( -0.383 -0.114 1.049) 1.122 2.081 ( -8.306 0.129 0.715) 8.338 2.267 ( -7.171 0.460 -0.637) 7.214 2.349 ( -16.450 -0.209 0.829) 16.473 2.508 ( -13.555 0.071 -3.003) 13.884 2.939 ( 1.969 -0.059 3.770) 4.254 3.465 ( -0.340 0.696 -4.679) 4.743 3.468 ( -2.543 0.250 -0.719) 2.655 3.635 ( -3.265 0.262 -6.379) 7.170 3.918 ( -1.949 0.506 -0.289) 2.034 3.995 ( 1.692 0.677 -4.792) 5.127 4.216 ( 0.100 -0.187 3.700) 3.706 4.241 ( -5.645 -0.139 0.351) 5.658 4.693 ( 6.194 -0.180 1.143) 6.301 4.777 ( 0.905 0.386 0.092) 0.988 4.806 ( -3.147 -1.903 5.698) 6.782 4.952 ( -1.089 -0.096 1.415) 1.788 4.992 ( 3.402 0.519 2.728) 4.392 5.094 ( -3.141 0.141 0.307) 3.159 5.376 ( -3.622 -0.349 3.874) 5.315 5.407 ( 3.292 -0.756 6.313) 7.160 5.445 ( -7.720 -4.633 3.333) 9.601 6.065 ( 2.682 -0.002 -11.712) 12.015 6.391 ( 6.794 -0.146 4.478) 8.139 6.411 ( 6.346 0.402 0.408) 6.372 ======================= Grid point 208 (81/129) ======================= q-point: (-0.42 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -4.009 6.685 6.871) 10.391 0.798 ( 0.166 11.073 4.190) 11.841 0.952 ( -1.860 -1.615 -1.955) 3.145 1.091 ( -1.370 -2.110 10.492) 10.789 1.194 ( -10.157 -1.155 11.475) 15.368 1.259 ( 0.626 1.827 1.099) 2.222 1.452 ( -7.556 0.167 0.151) 7.559 1.496 ( -5.576 5.491 -0.781) 7.865 1.606 ( -2.230 -2.968 -8.901) 9.644 1.693 ( -3.153 -1.619 -0.459) 3.574 1.773 ( -0.579 -3.413 2.358) 4.189 1.920 ( -0.474 -0.632 4.170) 4.244 2.019 ( 1.113 -1.988 -4.512) 5.055 2.132 ( -7.151 -1.028 0.081) 7.225 2.154 ( -2.193 -0.460 -3.505) 4.160 2.276 ( -9.264 -0.101 -2.710) 9.652 2.975 ( 1.438 -0.033 3.696) 3.966 3.387 ( -3.476 0.146 0.737) 3.556 3.445 ( -3.673 0.703 -1.712) 4.113 3.571 ( -1.119 -0.006 -13.835) 13.880 3.908 ( 1.253 0.647 3.205) 3.502 4.010 ( 0.068 1.127 -3.402) 3.584 4.105 ( -7.608 -0.189 1.077) 7.686 4.191 ( -3.830 -0.939 -1.256) 4.139 4.655 ( -8.621 -5.832 21.332) 23.736 4.774 ( -1.170 -0.390 1.045) 1.617 4.807 ( 3.060 0.204 -1.242) 3.308 4.952 ( 0.689 -0.026 1.642) 1.781 5.031 ( 0.317 0.643 0.720) 1.016 5.058 ( -0.359 0.758 2.879) 2.998 5.166 ( -11.309 -2.807 3.162) 12.074 5.461 ( 1.947 -0.417 5.560) 5.906 5.479 ( 2.810 -2.670 4.522) 5.956 6.076 ( -0.552 -0.602 -9.435) 9.470 6.518 ( 4.460 1.518 0.513) 4.739 6.568 ( 8.864 0.667 0.880) 8.933 ======================= Grid point 209 (82/129) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 0.000 9.476 13.156) 16.214 0.739 ( 0.000 10.096 10.254) 14.390 0.926 ( 0.000 2.701 -3.996) 4.823 1.013 ( 0.000 2.982 15.327) 15.615 1.139 ( 0.000 0.860 5.918) 5.980 1.259 ( 0.000 3.301 -2.554) 4.174 1.390 ( -0.000 -5.443 0.195) 5.446 1.390 ( 0.000 6.430 0.114) 6.431 1.570 ( -0.000 -1.927 -7.352) 7.600 1.678 ( -0.000 -1.689 1.150) 2.044 1.802 ( -0.000 -5.880 1.961) 6.198 1.938 ( -0.000 -0.802 5.273) 5.333 2.031 ( -0.000 -0.776 -4.572) 4.637 2.094 ( -0.000 -3.173 -5.895) 6.694 2.162 ( 0.000 0.364 -1.949) 1.983 2.175 ( -0.000 -3.315 -6.663) 7.442 2.991 ( -0.000 -0.004 3.579) 3.579 3.349 ( 0.000 0.038 0.334) 0.336 3.383 ( 0.000 0.035 -0.525) 0.526 3.573 ( 0.000 0.075 -14.695) 14.696 3.951 ( 0.000 0.342 5.113) 5.125 3.989 ( 0.000 0.236 0.239) 0.336 3.993 ( 0.000 0.248 0.137) 0.283 4.121 ( -0.000 -0.558 -1.454) 1.557 4.588 ( -0.000 -7.055 30.686) 31.486 4.764 ( -0.000 -0.390 1.120) 1.186 4.844 ( -0.000 -0.652 1.154) 1.325 4.964 ( 0.000 0.217 2.482) 2.492 5.024 ( 0.000 0.113 0.171) 0.205 5.047 ( 0.000 0.119 -0.421) 0.438 5.052 ( 0.000 1.273 4.280) 4.466 5.482 ( 0.000 0.099 6.483) 6.483 5.528 ( -0.000 -3.725 2.689) 4.594 6.073 ( -0.000 -0.898 -8.629) 8.675 6.554 ( 0.000 2.253 0.647) 2.344 6.663 ( 0.000 0.903 -1.499) 1.750 ======================= Grid point 218 (83/129) ======================= q-point: (-0.58 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 1.159 -0.000 -2.710) 2.947 0.956 ( -3.772 0.000 -2.955) 4.792 1.021 ( 2.923 -0.000 5.577) 6.297 1.058 ( -7.330 0.000 3.382) 8.073 1.285 ( -3.089 0.000 1.229) 3.324 1.351 ( -9.558 0.000 14.212) 17.127 1.504 ( 3.225 -0.000 -3.878) 5.044 1.697 ( -11.442 0.000 0.509) 11.453 1.718 ( -6.407 0.000 -0.472) 6.424 1.743 ( -2.855 0.000 -3.924) 4.853 1.790 ( -4.365 0.000 2.205) 4.890 1.938 ( -0.459 0.000 0.926) 1.033 2.081 ( -8.989 0.000 0.751) 9.020 2.270 ( -7.440 0.000 -0.645) 7.468 2.348 ( -16.439 0.000 0.858) 16.462 2.509 ( -13.554 0.000 -2.988) 13.879 2.939 ( 1.974 -0.000 3.823) 4.303 3.468 ( -3.930 0.000 1.573) 4.233 3.469 ( 1.084 -0.000 -7.070) 7.153 3.636 ( -3.323 0.000 -6.303) 7.126 3.921 ( -1.938 0.000 -0.215) 1.950 3.999 ( 1.791 -0.000 -4.640) 4.974 4.215 ( 0.016 -0.000 3.702) 3.702 4.240 ( -5.672 0.000 0.364) 5.683 4.691 ( 5.695 -0.000 1.393) 5.863 4.782 ( 1.857 -0.000 -1.978) 2.713 4.793 ( -4.316 0.000 7.848) 8.957 4.952 ( -1.165 0.000 1.388) 1.812 4.995 ( 3.546 -0.000 2.807) 4.523 5.094 ( -3.072 0.000 0.366) 3.094 5.377 ( -6.639 0.000 3.650) 7.576 5.397 ( 1.893 -0.000 4.318) 4.715 5.424 ( -3.367 0.000 5.814) 6.719 6.065 ( 2.523 -0.000 -11.611) 11.882 6.391 ( 6.999 -0.000 4.459) 8.299 6.413 ( 6.612 -0.000 0.315) 6.619 ======================= Grid point 220 (84/129) ======================= q-point: (-0.50 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -4.472 3.660 7.127) 9.175 0.881 ( 2.571 3.228 -2.612) 4.884 0.943 ( -2.706 0.275 2.645) 3.794 1.089 ( -2.928 2.753 13.178) 13.777 1.147 ( -4.624 -6.586 11.042) 13.663 1.275 ( 1.363 0.959 0.638) 1.784 1.468 ( -10.377 1.588 0.561) 10.513 1.543 ( -1.128 2.669 -3.161) 4.288 1.583 ( -4.478 -1.014 -5.714) 7.330 1.669 ( -5.039 -2.048 -3.560) 6.501 1.751 ( -0.618 -0.814 3.810) 3.944 1.915 ( -0.609 -0.233 4.133) 4.184 2.000 ( 0.595 -1.113 -4.640) 4.809 2.125 ( -7.856 -0.362 0.278) 7.870 2.151 ( -2.553 -0.176 -3.602) 4.418 2.275 ( -9.439 -0.041 -2.544) 9.776 2.975 ( 1.454 -0.017 3.910) 4.172 3.388 ( -3.553 0.054 0.752) 3.632 3.450 ( -4.180 0.221 -1.556) 4.466 3.571 ( -1.049 0.002 -13.798) 13.837 3.913 ( 1.179 0.243 3.415) 3.621 4.018 ( -0.102 0.407 -2.977) 3.007 4.104 ( -7.526 -0.066 1.015) 7.594 4.184 ( -4.082 -0.360 -1.348) 4.314 4.613 ( -8.791 -1.975 22.412) 24.156 4.772 ( -1.135 -0.130 1.030) 1.539 4.809 ( 2.948 0.084 -1.406) 3.267 4.951 ( 0.834 -0.020 1.631) 1.832 5.036 ( 0.040 0.271 0.607) 0.666 5.063 ( -0.138 0.232 3.163) 3.175 5.148 ( -9.717 -0.747 2.168) 9.984 5.450 ( 2.616 -0.957 2.751) 3.915 5.468 ( 2.238 -0.161 7.717) 8.037 6.071 ( -0.646 -0.214 -9.115) 9.140 6.529 ( 4.646 0.532 0.512) 4.705 6.573 ( 8.980 0.224 1.020) 9.040 ======================= Grid point 221 (85/129) ======================= q-point: (-0.42 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 0.000 7.190 13.588) 15.373 0.829 ( 0.000 6.510 9.564) 11.569 0.930 ( -0.000 -0.327 -2.798) 2.817 0.999 ( -0.000 -4.192 14.682) 15.268 1.196 ( 0.000 6.832 5.663) 8.874 1.289 ( 0.000 2.251 -0.958) 2.447 1.337 ( -0.000 -4.136 -0.116) 4.138 1.461 ( 0.000 6.668 -1.887) 6.930 1.551 ( -0.000 -1.408 -9.194) 9.302 1.644 ( -0.000 -4.819 -0.197) 4.823 1.757 ( -0.000 -2.374 4.325) 4.934 1.931 ( -0.000 -0.451 5.683) 5.701 2.024 ( -0.000 -0.434 -4.103) 4.126 2.056 ( -0.000 -3.508 -7.360) 8.153 2.147 ( -0.000 -1.696 -4.579) 4.883 2.165 ( 0.000 0.201 -2.019) 2.029 2.991 ( -0.000 -0.019 3.989) 3.989 3.349 ( 0.000 0.022 0.332) 0.333 3.383 ( 0.000 0.020 -0.527) 0.527 3.574 ( -0.000 -0.007 -14.357) 14.357 3.954 ( 0.000 0.224 5.225) 5.230 3.991 ( 0.000 0.136 0.241) 0.276 3.995 ( 0.000 0.142 0.135) 0.197 4.118 ( -0.000 -0.148 -0.928) 0.940 4.536 ( -0.000 -3.010 28.958) 29.114 4.761 ( -0.000 -0.212 1.296) 1.313 4.841 ( -0.000 -0.085 -0.496) 0.503 4.966 ( 0.000 0.152 2.383) 2.388 5.024 ( 0.000 0.065 0.157) 0.170 5.048 ( 0.000 0.069 -0.437) 0.443 5.063 ( 0.000 0.758 3.984) 4.056 5.482 ( -0.000 -0.324 4.479) 4.490 5.497 ( -0.000 -1.809 5.206) 5.511 6.065 ( -0.000 -0.483 -8.175) 8.189 6.573 ( 0.000 1.229 0.748) 1.438 6.670 ( 0.000 0.446 -0.907) 1.011 ======================= Grid point 233 (86/129) ======================= q-point: ( 0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.000 0.000 12.785) 12.785 0.865 ( 0.000 0.000 9.474) 9.474 0.932 ( -0.000 -0.000 -4.787) 4.787 0.964 ( 0.000 0.000 18.587) 18.587 1.237 ( 0.000 0.000 4.619) 4.619 1.303 ( 0.000 0.000 -0.066) 0.066 1.312 ( -0.000 -0.000 -0.446) 0.446 1.508 ( 0.000 0.000 -3.780) 3.780 1.543 ( 0.000 0.000 -10.077) 10.077 1.604 ( 0.000 0.000 1.105) 1.105 1.746 ( 0.000 0.000 4.679) 4.679 1.929 ( 0.000 0.000 5.834) 5.834 2.023 ( 0.000 0.000 -2.502) 2.502 2.033 ( 0.000 0.000 -8.743) 8.743 2.139 ( 0.000 0.000 -4.221) 4.221 2.166 ( 0.000 0.000 -2.044) 2.044 2.990 ( 0.000 0.000 4.131) 4.131 3.349 ( 0.000 0.000 0.332) 0.332 3.384 ( 0.000 0.000 -0.527) 0.527 3.573 ( 0.000 0.000 -14.251) 14.251 3.955 ( 0.000 0.000 5.270) 5.270 3.991 ( 0.000 0.000 0.241) 0.241 3.996 ( 0.000 0.000 0.135) 0.135 4.117 ( 0.000 0.000 -0.721) 0.721 4.521 ( 0.000 0.000 28.099) 28.099 4.760 ( 0.000 0.000 1.368) 1.368 4.841 ( 0.000 0.000 -0.846) 0.846 4.967 ( 0.000 0.000 2.365) 2.365 5.025 ( 0.000 0.000 0.151) 0.151 5.049 ( 0.000 0.000 -0.443) 0.443 5.067 ( 0.000 0.000 3.892) 3.892 5.478 ( 0.000 0.000 1.792) 1.792 5.490 ( 0.000 0.000 8.099) 8.099 6.063 ( 0.000 0.000 -8.020) 8.020 6.579 ( 0.000 0.000 0.787) 0.787 6.672 ( 0.000 0.000 -0.700) 0.700 ======================= Grid point 302 (87/129) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 0.000 0.000 13.466) 13.466 0.694 ( 0.000 0.000 -11.518) 11.518 0.718 ( 0.000 0.000 17.203) 17.203 0.991 ( 0.000 0.000 -12.443) 12.443 1.044 ( 0.000 0.000 11.015) 11.015 1.191 ( 0.000 0.000 -5.974) 5.974 1.544 ( 0.000 0.000 1.003) 1.003 1.562 ( 0.000 0.000 20.678) 20.678 1.571 ( 0.000 0.000 -2.040) 2.040 1.819 ( 0.000 0.000 -6.368) 6.368 1.821 ( 0.000 0.000 5.400) 5.400 1.991 ( 0.000 0.000 -11.761) 11.761 2.040 ( 0.000 0.000 3.942) 3.942 2.104 ( 0.000 0.000 -3.046) 3.046 2.123 ( 0.000 0.000 1.660) 1.660 2.154 ( 0.000 0.000 -1.636) 1.636 3.057 ( 0.000 0.000 6.605) 6.605 3.254 ( 0.000 0.000 -15.003) 15.003 3.357 ( 0.000 0.000 0.649) 0.649 3.370 ( 0.000 0.000 -0.754) 0.754 3.985 ( 0.000 0.000 0.192) 0.192 3.986 ( 0.000 0.000 0.040) 0.040 4.017 ( 0.000 0.000 3.872) 3.872 4.092 ( 0.000 0.000 -4.221) 4.221 4.774 ( 0.000 0.000 -0.049) 0.049 4.778 ( 0.000 0.000 -0.283) 0.283 4.999 ( 0.000 0.000 2.356) 2.356 5.024 ( 0.000 0.000 -0.028) 0.028 5.026 ( 0.000 0.000 0.439) 0.439 5.035 ( 0.000 0.000 -0.515) 0.515 5.610 ( 0.000 0.000 7.916) 7.916 5.613 ( 0.000 0.000 3.390) 3.390 5.729 ( 0.000 0.000 -1.584) 1.584 5.865 ( 0.000 0.000 -11.971) 11.971 6.492 ( 0.000 0.000 3.699) 3.699 6.545 ( 0.000 0.000 -2.226) 2.226 ======================= Grid point 303 (88/129) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 10.158 -1.649 10.743) 14.877 0.756 ( 5.151 -0.895 4.648) 6.996 0.787 ( 6.744 -1.763 -0.089) 6.971 1.010 ( 1.041 -0.810 -11.417) 11.493 1.154 ( 8.965 -1.243 6.090) 10.909 1.245 ( 5.356 -0.857 -3.837) 6.644 1.537 ( 1.444 0.454 8.525) 8.659 1.615 ( 3.185 0.847 -3.683) 4.942 1.683 ( 9.763 0.785 13.648) 16.799 1.809 ( -0.188 0.407 5.866) 5.883 1.853 ( 3.431 0.475 -4.027) 5.312 1.995 ( -0.337 0.285 -7.866) 7.879 2.054 ( -3.176 0.658 0.684) 3.314 2.066 ( 2.691 0.318 -2.349) 3.587 2.176 ( 4.513 0.092 1.001) 4.624 2.212 ( 8.291 -0.071 -2.672) 8.711 3.048 ( -0.897 -0.325 6.637) 6.705 3.236 ( -1.361 -0.539 -13.344) 13.424 3.395 ( 3.636 -0.063 0.948) 3.758 3.421 ( 4.500 -0.048 -2.397) 5.099 3.896 ( -3.166 -0.369 0.371) 3.209 3.904 ( -3.471 -0.492 -0.946) 3.631 4.152 ( 6.956 0.202 2.321) 7.336 4.198 ( 5.196 0.305 -2.587) 5.813 4.783 ( -0.211 0.004 0.275) 0.347 4.792 ( 0.802 0.059 -0.436) 0.914 4.980 ( -1.354 -0.007 1.072) 1.726 4.980 ( -2.856 0.203 1.106) 3.070 5.021 ( -0.764 -0.156 0.823) 1.134 5.034 ( 0.096 -0.341 -0.047) 0.357 5.597 ( -0.899 1.946 5.701) 6.091 5.618 ( -0.392 0.082 10.137) 10.145 5.730 ( 1.213 3.590 -6.419) 7.454 5.851 ( -1.614 -0.864 -12.546) 12.678 6.474 ( -1.800 -0.496 3.397) 3.876 6.516 ( -2.786 -0.399 -1.238) 3.075 ======================= Grid point 304 (89/129) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 13.673 1.155 7.797) 15.782 0.869 ( 4.690 -1.047 7.100) 8.573 0.974 ( 10.511 0.469 -6.677) 12.462 1.024 ( 0.328 -0.762 -7.406) 7.453 1.349 ( 9.370 -2.207 2.320) 9.902 1.403 ( 8.534 -3.845 -2.879) 9.793 1.590 ( 3.893 0.977 4.233) 5.834 1.650 ( 1.269 2.252 -3.709) 4.520 1.829 ( 3.134 0.584 9.071) 9.615 1.858 ( 3.868 3.647 5.242) 7.466 1.909 ( 1.351 2.958 -2.320) 3.994 1.944 ( -1.899 0.406 -2.310) 3.018 2.050 ( 5.656 -3.163 5.642) 8.592 2.175 ( 6.361 -1.426 -4.902) 8.156 2.383 ( 16.188 0.037 1.974) 16.307 2.438 ( 13.965 -0.074 -3.709) 14.449 3.031 ( -0.757 -0.291 7.241) 7.286 3.220 ( -0.450 -0.676 -12.628) 12.654 3.483 ( 4.607 -0.262 1.828) 4.963 3.524 ( 5.227 -0.352 -3.058) 6.066 3.867 ( -0.465 -0.708 -0.704) 1.102 3.872 ( -0.804 -1.013 -1.602) 2.059 4.255 ( 3.568 0.123 0.234) 3.578 4.257 ( 1.418 0.091 0.268) 1.446 4.711 ( -6.983 -0.159 1.895) 7.237 4.752 ( -6.188 0.046 -2.472) 6.664 4.955 ( 0.234 0.261 2.315) 2.342 4.974 ( 1.152 0.131 0.041) 1.160 5.016 ( 0.770 -0.224 2.831) 2.942 5.060 ( 2.482 -0.253 -1.897) 3.134 5.558 ( -2.182 1.717 9.041) 9.458 5.580 ( -3.104 -0.613 11.068) 11.511 5.728 ( 0.214 4.441 -9.546) 10.531 5.807 ( -3.535 -1.311 -12.903) 13.442 6.440 ( -1.316 0.583 2.248) 2.669 6.455 ( -2.869 0.480 0.729) 2.998 ======================= Grid point 305 (90/129) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 1.040 -0.311 3.739) 3.893 1.004 ( -1.127 0.308 -4.044) 4.209 1.087 ( 14.214 3.850 6.069) 15.928 1.204 ( 12.057 2.778 -6.117) 13.803 1.542 ( 8.111 -0.690 1.285) 8.241 1.585 ( 6.012 -2.647 -3.176) 7.296 1.646 ( 1.409 3.587 0.059) 3.854 1.654 ( 3.028 2.059 -0.603) 3.711 1.828 ( -1.363 0.023 2.675) 3.002 1.854 ( -2.243 -0.861 -0.738) 2.513 1.915 ( 4.292 0.012 5.274) 6.800 1.986 ( 3.048 0.564 -1.584) 3.481 2.245 ( 8.590 -3.286 5.431) 10.681 2.295 ( 4.763 -2.365 -0.945) 5.401 2.731 ( 14.398 0.030 0.766) 14.418 2.752 ( 19.514 0.234 -0.514) 19.522 3.036 ( 1.841 -0.029 7.723) 7.939 3.228 ( 0.978 -0.396 -12.244) 12.289 3.556 ( 1.934 -0.344 3.133) 3.698 3.609 ( 2.787 -0.368 -2.690) 3.891 3.868 ( 0.177 -0.614 -2.033) 2.131 3.873 ( 0.344 -0.557 -2.462) 2.547 4.256 ( -1.869 -0.218 2.232) 2.919 4.296 ( -0.197 -0.147 -2.116) 2.130 4.561 ( -6.426 -0.195 1.407) 6.581 4.580 ( -8.878 -0.200 -0.877) 8.924 4.974 ( 1.961 0.271 3.383) 3.919 5.009 ( 2.205 0.155 -0.291) 2.230 5.047 ( 1.559 0.125 3.263) 3.618 5.105 ( 1.016 -0.066 -2.812) 2.990 5.490 ( -3.730 0.365 10.592) 11.235 5.521 ( -2.913 0.333 9.723) 10.155 5.684 ( -2.668 2.360 -10.073) 10.684 5.731 ( -4.364 -0.657 -12.061) 12.843 6.399 ( -1.654 1.837 3.253) 4.086 6.431 ( 0.383 1.392 -0.303) 1.475 ======================= Grid point 306 (91/129) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -0.538 -0.169 2.240) 2.310 0.975 ( -1.636 -0.207 -2.455) 2.958 1.328 ( 12.171 5.918 4.555) 14.279 1.401 ( 8.504 5.948 -3.144) 10.843 1.543 ( -1.674 6.910 0.920) 7.169 1.584 ( 0.151 6.623 -3.142) 7.332 1.751 ( 3.201 -2.700 0.443) 4.211 1.772 ( 6.472 -2.662 -1.596) 7.178 1.852 ( 2.363 -4.827 0.587) 5.407 1.865 ( 2.294 -4.862 -0.804) 5.436 1.995 ( 3.495 -0.126 4.593) 5.773 2.020 ( 0.022 -1.059 1.817) 2.103 2.372 ( 2.745 -2.540 0.300) 3.752 2.389 ( 3.564 -1.855 -2.034) 4.503 2.938 ( 6.043 -0.034 11.975) 13.413 3.094 ( 14.033 0.066 -2.963) 14.342 3.132 ( 7.335 -0.083 3.460) 8.111 3.260 ( 2.081 -0.057 -10.813) 11.012 3.538 ( -4.316 -0.143 4.895) 6.527 3.627 ( -1.554 -0.020 -4.088) 4.374 3.878 ( -0.091 -0.022 -2.526) 2.528 3.895 ( 2.632 0.031 -3.608) 4.466 4.178 ( -4.821 -0.156 1.355) 5.011 4.214 ( -6.230 -0.158 -2.591) 6.749 4.512 ( 2.056 -0.063 2.301) 3.086 4.519 ( 2.029 -0.042 1.908) 2.786 5.018 ( -2.269 0.075 3.304) 4.008 5.034 ( 4.059 0.221 3.920) 5.647 5.077 ( -2.789 0.170 -1.806) 3.327 5.097 ( 3.360 0.124 -1.859) 3.842 5.419 ( -3.363 0.132 9.526) 10.103 5.460 ( -3.019 0.206 8.931) 9.430 5.607 ( -4.133 0.544 -9.953) 10.791 5.650 ( -3.677 0.461 -11.199) 11.796 6.365 ( -0.910 1.860 5.202) 5.599 6.436 ( 0.733 1.649 -2.663) 3.217 ======================= Grid point 307 (92/129) ======================= q-point: ( 0.42 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -0.287 -0.323 1.314) 1.383 0.946 ( -1.397 -0.408 -1.243) 1.914 1.394 ( -2.302 5.463 2.339) 6.373 1.427 ( 0.182 4.910 -1.151) 5.047 1.576 ( 8.433 6.500 4.398) 11.520 1.658 ( 8.669 5.744 -3.922) 11.115 1.775 ( -1.686 -4.028 2.261) 4.917 1.835 ( -1.646 -5.244 -3.753) 6.655 1.933 ( 1.718 -2.515 2.398) 3.877 1.975 ( 4.987 -1.840 -2.495) 5.872 2.011 ( -0.363 -2.429 3.003) 3.879 2.049 ( 1.524 -0.435 0.350) 1.623 2.397 ( -0.606 -1.531 0.890) 1.872 2.452 ( 1.987 -0.769 -4.180) 4.692 3.021 ( 3.154 0.096 16.152) 16.457 3.251 ( 3.712 -0.293 3.368) 5.020 3.282 ( 5.655 0.166 -7.756) 9.600 3.311 ( 2.809 -0.213 -6.212) 6.821 3.408 ( -7.262 0.166 4.947) 8.788 3.531 ( -7.409 0.144 -8.609) 11.359 3.890 ( 1.669 0.354 2.529) 3.050 3.960 ( 3.258 0.317 -4.958) 5.941 4.116 ( -1.443 0.006 0.784) 1.642 4.145 ( -0.949 -0.011 -2.446) 2.624 4.608 ( 6.941 -0.014 2.839) 7.499 4.614 ( 7.005 0.025 2.759) 7.528 4.926 ( -6.550 0.053 2.859) 7.148 4.968 ( -7.134 -0.052 -1.522) 7.295 5.131 ( 5.528 0.111 4.362) 7.043 5.191 ( 5.005 0.093 -2.317) 5.516 5.347 ( -4.152 0.111 8.093) 9.096 5.408 ( -2.006 0.043 8.293) 8.532 5.520 ( -4.356 0.159 -9.305) 10.276 5.588 ( -2.177 0.476 -11.050) 11.272 6.342 ( -0.547 1.114 6.396) 6.516 6.439 ( 0.286 1.041 -4.217) 4.353 ======================= Grid point 308 (93/129) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 0.000 -0.000 0.456) 0.456 0.928 ( 0.000 -0.000 -0.216) 0.216 1.351 ( 0.000 -0.000 3.335) 3.335 1.405 ( 0.000 -0.000 -2.556) 2.556 1.676 ( 0.000 0.000 6.380) 6.380 1.747 ( -0.000 -0.000 1.611) 1.611 1.779 ( 0.000 0.000 -1.571) 1.571 1.786 ( -0.000 -0.000 -5.164) 5.164 1.937 ( 0.000 -0.000 5.762) 5.762 2.028 ( 0.000 -0.000 0.872) 0.872 2.045 ( 0.000 -0.000 -0.112) 0.112 2.058 ( -0.000 -0.000 -7.152) 7.152 2.391 ( 0.000 -0.000 3.186) 3.186 2.474 ( 0.000 -0.000 -4.918) 4.918 3.058 ( 0.000 -0.000 17.961) 17.961 3.286 ( 0.000 -0.000 3.806) 3.806 3.320 ( 0.000 -0.000 3.173) 3.173 3.341 ( 0.000 -0.000 -2.361) 2.361 3.385 ( -0.000 -0.000 -16.657) 16.657 3.392 ( 0.000 -0.000 -4.205) 4.205 3.912 ( 0.000 -0.000 3.963) 3.963 3.993 ( 0.000 -0.000 -4.920) 4.920 4.106 ( 0.000 -0.000 0.796) 0.796 4.142 ( 0.000 -0.000 -3.085) 3.085 4.739 ( 0.000 -0.000 5.779) 5.779 4.749 ( -0.000 -0.000 6.021) 6.021 4.790 ( 0.000 -0.000 -0.384) 0.384 4.844 ( 0.000 -0.000 -4.234) 4.234 5.224 ( 0.000 -0.000 1.485) 1.485 5.254 ( 0.000 -0.000 -0.944) 0.944 5.269 ( 0.000 -0.000 9.718) 9.718 5.387 ( 0.000 -0.000 8.000) 8.000 5.463 ( 0.000 -0.000 -9.614) 9.614 5.565 ( 0.000 -0.000 -11.052) 11.052 6.333 ( 0.000 -0.000 6.778) 6.778 6.439 ( 0.000 -0.000 -4.738) 4.738 ======================= Grid point 316 (94/129) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 14.556 -0.000 7.570) 16.406 0.863 ( 4.944 -0.000 7.799) 9.234 0.976 ( 11.928 -0.000 -6.661) 13.661 1.020 ( -0.036 0.000 -7.728) 7.728 1.337 ( 9.415 -0.000 1.475) 9.530 1.381 ( 8.151 -0.000 -2.481) 8.520 1.595 ( 4.015 -0.000 4.947) 6.371 1.662 ( 1.572 -0.000 -3.843) 4.152 1.831 ( 3.177 -0.000 8.339) 8.923 1.880 ( 3.743 -0.000 5.678) 6.801 1.926 ( 3.014 -0.000 -3.346) 4.503 1.949 ( -3.709 0.000 -1.762) 4.106 2.028 ( 4.857 -0.000 6.514) 8.126 2.167 ( 6.018 -0.000 -5.125) 7.905 2.383 ( 16.306 -0.000 1.908) 16.417 2.437 ( 14.038 -0.000 -3.706) 14.519 3.029 ( -0.667 0.000 7.104) 7.135 3.216 ( -0.338 0.000 -12.543) 12.547 3.482 ( 4.587 -0.000 1.797) 4.927 3.522 ( 5.192 -0.000 -3.059) 6.026 3.863 ( -0.358 0.000 -0.802) 0.878 3.866 ( -0.726 0.000 -1.585) 1.744 4.256 ( 3.577 -0.000 0.203) 3.583 4.257 ( 1.201 -0.000 0.266) 1.230 4.710 ( -7.011 0.000 1.919) 7.269 4.752 ( -6.286 0.000 -2.576) 6.793 4.956 ( 0.168 -0.000 2.232) 2.239 4.975 ( 1.192 -0.000 0.046) 1.193 5.014 ( 0.866 -0.000 2.839) 2.968 5.059 ( 2.585 -0.000 -1.888) 3.201 5.571 ( -3.596 0.000 11.527) 12.075 5.573 ( -1.973 0.000 8.873) 9.090 5.755 ( -0.399 0.000 -10.949) 10.956 5.796 ( -3.694 0.000 -12.458) 12.994 6.443 ( -0.839 0.000 2.310) 2.458 6.458 ( -2.730 0.000 0.799) 2.844 ======================= Grid point 317 (95/129) ======================= q-point: ( 0.17 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 1.273 -0.179 3.919) 4.124 1.005 ( -1.324 0.044 -4.373) 4.569 1.120 ( 14.999 1.945 5.710) 16.166 1.227 ( 13.182 1.251 -5.322) 14.271 1.530 ( 9.725 -0.668 -0.065) 9.749 1.552 ( 8.035 -2.378 -2.026) 8.621 1.674 ( 3.523 1.296 0.488) 3.785 1.685 ( 1.250 2.237 -1.211) 2.834 1.828 ( -4.305 -0.183 1.552) 4.580 1.849 ( -4.905 -0.047 -0.964) 4.999 1.914 ( 4.326 -0.095 6.133) 7.506 1.990 ( 2.516 0.213 -1.562) 2.969 2.219 ( 9.199 -1.379 6.188) 11.172 2.277 ( 4.940 -0.945 -1.119) 5.152 2.732 ( 14.350 0.016 0.838) 14.374 2.754 ( 19.480 0.090 -0.572) 19.489 3.036 ( 1.939 -0.010 7.590) 7.834 3.225 ( 1.161 -0.150 -12.103) 12.159 3.553 ( 1.986 -0.127 3.129) 3.709 3.607 ( 2.919 -0.136 -2.694) 3.975 3.864 ( 0.435 -0.227 -2.054) 2.112 3.869 ( 0.572 -0.207 -2.520) 2.593 4.255 ( -1.911 -0.079 2.188) 2.906 4.295 ( -0.248 -0.054 -2.199) 2.214 4.560 ( -6.356 -0.071 1.413) 6.512 4.578 ( -8.857 -0.071 -0.879) 8.901 4.976 ( 1.952 0.097 3.329) 3.860 5.010 ( 2.155 0.054 -0.179) 2.163 5.048 ( 1.690 0.059 3.094) 3.526 5.104 ( 1.049 -0.028 -2.767) 2.959 5.493 ( -3.962 0.109 11.111) 11.797 5.524 ( -2.910 0.118 9.607) 10.039 5.705 ( -4.137 1.402 -11.223) 12.043 5.723 ( -3.473 -0.792 -11.715) 12.245 6.413 ( -1.660 0.726 3.146) 3.630 6.441 ( 0.567 0.501 -0.070) 0.760 ======================= Grid point 318 (96/129) ======================= q-point: ( 0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -0.555 -0.095 2.127) 2.201 0.973 ( -1.786 -0.124 -2.523) 3.094 1.385 ( 12.860 4.452 4.397) 14.301 1.457 ( 10.166 4.254 -3.234) 11.485 1.612 ( -1.521 5.797 0.787) 6.045 1.650 ( -0.159 5.315 -2.859) 6.038 1.722 ( 1.919 -2.426 0.633) 3.157 1.743 ( 5.102 -2.406 -1.517) 5.841 1.803 ( 1.456 -4.478 0.102) 4.710 1.815 ( 3.233 -4.344 -1.146) 5.535 1.994 ( 3.394 -0.100 4.490) 5.629 2.010 ( -0.685 -0.754 2.606) 2.798 2.350 ( 3.278 -1.525 0.651) 3.673 2.374 ( 4.165 -1.076 -2.368) 4.911 2.938 ( 6.117 -0.008 12.021) 13.488 3.095 ( 13.949 0.047 -3.027) 14.274 3.132 ( 7.168 -0.050 3.542) 7.996 3.260 ( 2.168 -0.035 -10.742) 10.958 3.536 ( -4.163 -0.087 4.960) 6.476 3.626 ( -1.423 -0.016 -4.144) 4.381 3.878 ( 0.176 -0.015 -2.451) 2.457 3.895 ( 2.891 0.018 -3.592) 4.611 4.177 ( -4.723 -0.092 1.333) 4.908 4.213 ( -6.162 -0.095 -2.596) 6.688 4.512 ( 2.115 -0.032 2.316) 3.136 4.519 ( 2.077 -0.026 1.914) 2.825 5.018 ( -2.340 0.048 3.282) 4.031 5.036 ( 4.073 0.122 3.776) 5.556 5.078 ( -3.381 0.133 -1.816) 3.840 5.098 ( 3.896 0.051 -1.719) 4.259 5.421 ( -3.396 0.084 9.708) 10.285 5.462 ( -3.141 0.067 9.127) 9.653 5.612 ( -4.553 0.368 -10.199) 11.175 5.654 ( -3.491 0.216 -11.514) 12.033 6.381 ( -1.216 1.107 5.182) 5.436 6.450 ( 0.517 0.946 -2.497) 2.719 ======================= Grid point 319 (97/129) ======================= q-point: ( 0.33 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -0.272 -0.188 1.156) 1.203 0.942 ( -1.343 -0.276 -1.257) 1.861 1.457 ( -3.884 6.282 1.869) 7.619 1.483 ( -1.547 5.546 -0.837) 5.818 1.638 ( 7.461 4.912 4.513) 10.008 1.709 ( 6.017 1.781 -1.558) 6.465 1.732 ( 0.642 -2.175 0.213) 2.278 1.775 ( -2.515 -5.604 -3.415) 7.028 1.908 ( 4.031 -2.200 2.247) 5.113 1.956 ( 6.400 -1.713 -3.387) 7.441 1.988 ( -0.836 -1.931 4.184) 4.684 2.045 ( 1.419 -0.354 -0.631) 1.593 2.382 ( -0.023 -1.200 1.330) 1.791 2.445 ( 2.439 -0.585 -4.487) 5.141 3.022 ( 3.135 0.054 16.274) 16.573 3.248 ( 3.769 -0.195 3.396) 5.077 3.284 ( 5.800 0.105 -7.286) 9.313 3.309 ( 2.655 -0.151 -6.756) 7.260 3.410 ( -7.201 0.122 5.035) 8.787 3.532 ( -7.410 0.097 -8.490) 11.269 3.894 ( 1.639 0.262 2.602) 3.086 3.963 ( 3.207 0.236 -4.868) 5.834 4.116 ( -1.403 -0.002 0.755) 1.593 4.145 ( -0.898 -0.016 -2.459) 2.618 4.608 ( 6.938 -0.004 2.857) 7.503 4.614 ( 7.026 0.015 2.757) 7.547 4.927 ( -6.567 0.040 2.812) 7.144 4.967 ( -7.167 -0.034 -1.460) 7.314 5.132 ( 5.439 0.083 4.346) 6.963 5.192 ( 4.916 0.075 -2.321) 5.437 5.348 ( -4.164 0.078 8.182) 9.181 5.408 ( -2.050 0.001 8.504) 8.748 5.522 ( -4.399 0.164 -9.351) 10.335 5.593 ( -2.357 0.311 -11.357) 11.603 6.353 ( -1.058 0.828 6.419) 6.558 6.449 ( -0.171 0.760 -4.128) 4.201 ======================= Grid point 320 (98/129) ======================= q-point: ( 0.42 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 0.298 0.018 0.408) 0.506 0.928 ( 0.236 -0.103 -0.177) 0.312 1.363 ( -2.522 2.256 3.157) 4.628 1.414 ( -2.294 1.603 -2.380) 3.674 1.633 ( -6.796 -6.006 5.234) 10.472 1.715 ( -6.382 -6.288 -3.433) 9.594 1.782 ( 4.816 4.330 2.984) 7.131 1.845 ( 6.091 5.319 -3.390) 8.768 1.938 ( 0.970 0.222 5.642) 5.729 2.025 ( 1.699 -0.446 0.915) 1.981 2.041 ( 0.141 -0.569 -0.677) 0.895 2.058 ( 0.937 0.096 -6.660) 6.726 2.390 ( 0.830 -0.191 3.225) 3.335 2.473 ( 0.298 -0.092 -4.943) 4.953 3.058 ( -0.086 -0.055 17.962) 17.962 3.286 ( 0.231 0.035 3.798) 3.806 3.320 ( -0.187 0.038 3.197) 3.202 3.341 ( 0.048 -0.092 -2.527) 2.529 3.385 ( 0.036 0.047 -16.519) 16.519 3.392 ( -0.192 -0.010 -4.190) 4.194 3.912 ( -0.255 0.007 3.964) 3.973 3.993 ( -0.212 0.003 -4.917) 4.921 4.106 ( -0.043 -0.009 0.795) 0.796 4.142 ( -0.031 -0.004 -3.090) 3.090 4.739 ( -0.115 0.003 5.787) 5.788 4.749 ( 0.110 -0.003 6.015) 6.016 4.790 ( -0.124 0.008 -0.383) 0.403 4.844 ( 0.148 -0.005 -4.235) 4.238 5.224 ( 0.079 0.001 1.485) 1.487 5.254 ( -0.005 0.037 -1.105) 1.106 5.269 ( -0.195 -0.044 9.876) 9.878 5.387 ( -0.013 -0.017 7.976) 7.976 5.463 ( -0.143 0.015 -9.590) 9.591 5.565 ( -0.258 0.006 -11.051) 11.054 6.333 ( -0.596 0.004 6.778) 6.804 6.439 ( -0.567 0.003 -4.737) 4.771 ======================= Grid point 321 (99/129) ======================= q-point: (-0.50 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 0.347 0.404 1.487) 1.579 0.950 ( 1.525 0.442 -1.194) 1.986 1.346 ( 0.104 -3.606 2.651) 4.477 1.383 ( -2.352 -3.528 -1.225) 4.414 1.507 ( -7.958 -6.365 4.533) 11.153 1.598 ( -8.108 -5.536 -4.607) 10.845 1.809 ( 0.274 2.460 2.716) 3.674 1.881 ( -0.451 3.412 -4.597) 5.743 1.959 ( 0.209 2.396 2.484) 3.457 1.995 ( -3.027 1.965 -1.700) 3.989 2.037 ( 0.429 2.322 1.926) 3.047 2.054 ( -1.655 0.444 1.427) 2.230 2.413 ( 1.326 1.414 0.472) 1.995 2.461 ( -1.406 0.732 -3.838) 4.153 3.020 ( -3.146 -0.124 16.014) 16.321 3.254 ( -3.660 0.328 3.325) 4.955 3.280 ( -5.475 -0.192 -8.211) 9.871 3.314 ( -2.985 0.218 -5.666) 6.408 3.406 ( 7.330 -0.166 4.841) 8.786 3.529 ( 7.402 -0.157 -8.742) 11.456 3.887 ( -1.707 -0.349 2.450) 3.006 3.957 ( -3.316 -0.310 -5.058) 6.056 4.116 ( 1.491 -0.016 0.812) 1.697 4.145 ( 1.005 0.000 -2.437) 2.636 4.608 ( -6.939 0.024 2.806) 7.485 4.614 ( -6.984 -0.030 2.776) 7.516 4.925 ( 6.533 -0.050 2.914) 7.154 4.968 ( 7.103 0.058 -1.596) 7.280 5.130 ( -5.630 -0.109 4.384) 7.136 5.190 ( -5.106 -0.082 -2.318) 5.608 5.346 ( 4.150 -0.115 7.992) 9.006 5.407 ( 1.916 -0.100 7.956) 8.184 5.519 ( 4.396 -0.063 -9.200) 10.196 5.583 ( 1.880 -0.551 -10.640) 10.819 6.330 ( -0.024 -1.091 6.348) 6.442 6.428 ( -0.821 -1.046 -4.311) 4.511 ======================= Grid point 322 (100/129) ======================= q-point: (-0.42 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 0.383 0.182 2.400) 2.437 0.977 ( 1.326 0.235 -2.349) 2.707 1.267 ( -11.173 -5.390 4.738) 13.279 1.337 ( -6.722 -5.924 -2.571) 9.321 1.473 ( 0.823 -6.339 0.708) 6.431 1.516 ( -1.184 -6.182 -3.573) 7.238 1.775 ( -2.959 1.820 0.323) 3.489 1.794 ( -6.428 1.548 -1.462) 6.772 1.903 ( -3.087 4.750 0.761) 5.716 1.913 ( -2.758 4.213 -0.258) 5.043 1.996 ( -3.713 0.061 4.669) 5.965 2.031 ( -1.072 0.943 0.853) 1.663 2.401 ( -2.119 2.770 -0.127) 3.490 2.411 ( -2.837 2.107 -1.630) 3.892 2.939 ( -5.924 0.074 11.912) 13.304 3.094 ( -14.147 -0.051 -2.882) 14.437 3.133 ( -7.564 0.091 3.358) 8.276 3.261 ( -1.963 0.061 -10.910) 11.086 3.539 ( 4.518 0.154 4.803) 6.596 3.627 ( 1.736 0.011 -4.016) 4.376 3.878 ( 0.455 0.021 -2.624) 2.663 3.894 ( -2.284 -0.036 -3.630) 4.289 4.180 ( 4.957 0.176 1.381) 5.149 4.216 ( 6.324 0.173 -2.586) 6.835 4.513 ( -1.977 0.083 2.272) 3.013 4.519 ( -1.961 0.044 1.908) 2.736 5.017 ( 2.193 -0.070 3.346) 4.001 5.031 ( -4.056 -0.273 4.095) 5.770 5.075 ( 2.265 -0.078 -1.857) 2.930 5.095 ( -2.915 -0.217 -1.987) 3.535 5.418 ( 3.323 -0.116 9.302) 9.879 5.457 ( 2.796 -0.419 8.485) 8.944 5.602 ( 3.471 -0.456 -9.425) 10.054 5.644 ( 4.013 -0.679 -10.745) 11.490 6.343 ( 0.551 -2.051 5.150) 5.570 6.417 ( -1.033 -1.926 -2.859) 3.598 ======================= Grid point 323 (101/129) ======================= q-point: (-0.33 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -1.300 -0.467 3.399) 3.670 0.997 ( 0.387 -0.967 -3.570) 3.719 1.051 ( -12.178 -2.467 6.421) 13.987 1.176 ( -9.914 -2.268 -6.553) 12.098 1.521 ( -2.817 -4.944 1.348) 5.847 1.561 ( 1.200 -5.986 -2.712) 6.680 1.649 ( -5.947 2.101 0.381) 6.319 1.657 ( -6.621 3.429 -0.717) 7.491 1.832 ( -2.103 0.871 3.471) 4.151 1.865 ( -0.542 1.043 -0.762) 1.401 1.913 ( -4.345 -0.182 4.403) 6.188 1.979 ( -3.641 -0.806 -1.628) 4.069 2.283 ( -8.162 3.735 4.501) 10.041 2.324 ( -4.682 2.829 -0.725) 5.518 2.731 ( -14.480 -0.012 0.648) 14.495 2.749 ( -19.570 -0.294 -0.404) 19.577 3.036 ( -1.673 0.043 7.942) 8.116 3.233 ( -0.681 0.512 -12.474) 12.503 3.560 ( -1.836 0.460 3.141) 3.667 3.614 ( -2.554 0.491 -2.686) 3.739 3.876 ( 0.255 0.826 -2.005) 2.183 3.880 ( 0.044 0.744 -2.368) 2.482 4.259 ( 1.803 0.301 2.306) 2.943 4.298 ( 0.116 0.199 -1.972) 1.986 4.564 ( 6.544 0.266 1.402) 6.698 4.582 ( 8.921 0.286 -0.880) 8.969 4.970 ( -2.004 -0.392 3.507) 4.059 5.007 ( -2.289 -0.220 -0.440) 2.341 5.046 ( -1.337 -0.085 3.463) 3.713 5.105 ( -0.945 0.061 -2.879) 3.031 5.485 ( 3.138 -0.640 9.534) 10.058 5.517 ( 3.074 -0.546 9.885) 10.366 5.656 ( 1.074 -2.861 -8.309) 8.853 5.737 ( 4.916 0.499 -12.159) 13.125 6.377 ( 1.815 -2.205 3.269) 4.341 6.413 ( -0.097 -1.919 -0.612) 2.016 ======================= Grid point 324 (102/129) ======================= q-point: (-0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -11.144 -0.748 7.446) 13.423 0.883 ( -4.701 1.592 5.248) 7.223 0.966 ( -6.602 -0.830 -5.299) 8.506 1.038 ( -1.260 1.989 -6.793) 7.189 1.380 ( -9.045 3.363 3.982) 10.440 1.454 ( -8.830 5.685 -3.453) 11.054 1.576 ( -3.673 -1.674 2.054) 4.529 1.615 ( -0.501 -4.367 -3.294) 5.493 1.802 ( -3.932 -4.654 10.270) 11.941 1.828 ( -3.280 -1.446 4.097) 5.444 1.876 ( -1.167 -2.807 -1.282) 3.299 1.940 ( 0.749 -0.496 -2.847) 2.986 2.083 ( -7.499 2.906 5.087) 9.516 2.193 ( -7.338 1.763 -4.532) 8.803 2.382 ( -15.874 -0.040 2.157) 16.020 2.439 ( -13.778 0.146 -3.716) 14.271 3.035 ( 0.987 0.476 7.596) 7.674 3.229 ( 0.728 1.078 -12.841) 12.907 3.487 ( -4.656 0.474 1.916) 5.057 3.529 ( -5.299 0.644 -3.061) 6.154 3.878 ( 0.668 1.258 -0.423) 1.486 3.886 ( 1.102 1.648 -1.683) 2.601 4.254 ( -3.715 -0.190 0.299) 3.732 4.256 ( -1.836 -0.160 0.294) 1.866 4.713 ( 6.919 0.287 1.841) 7.165 4.751 ( 5.939 -0.035 -2.201) 6.334 4.950 ( -0.467 -0.600 2.615) 2.723 4.972 ( -1.038 -0.216 0.002) 1.061 5.019 ( -0.508 0.455 2.785) 2.867 5.064 ( -2.189 0.451 -1.917) 2.944 5.536 ( 1.088 -2.547 7.594) 8.083 5.586 ( 3.450 0.531 11.691) 12.201 5.669 ( -2.120 -6.407 -6.708) 9.515 5.819 ( 3.505 1.006 -13.194) 13.689 6.433 ( 2.506 -0.700 2.020) 3.294 6.449 ( 3.374 -0.694 0.567) 3.491 ======================= Grid point 325 (103/129) ======================= q-point: (-0.17 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -7.390 4.694 9.747) 13.101 0.772 ( -4.591 2.073 0.337) 5.048 0.822 ( -5.512 4.763 3.626) 8.138 1.025 ( -0.301 2.133 -10.422) 10.642 1.180 ( -8.787 3.437 5.599) 10.971 1.265 ( -6.618 2.829 -3.483) 7.995 1.527 ( -1.593 -1.451 7.016) 7.339 1.597 ( -3.049 -2.519 -3.733) 5.438 1.667 ( -9.071 -2.183 14.492) 17.236 1.801 ( -0.225 -1.152 5.932) 6.047 1.843 ( -2.616 -1.339 -3.979) 4.946 1.988 ( 1.662 -0.992 -6.139) 6.436 2.042 ( 1.725 -1.499 0.142) 2.289 2.059 ( -3.240 -0.855 -3.652) 4.956 2.174 ( -5.554 -0.361 1.189) 5.691 2.214 ( -8.491 0.194 -2.859) 8.962 3.054 ( 1.049 0.838 7.001) 7.129 3.247 ( 1.470 1.357 -13.414) 13.563 3.397 ( -3.725 0.184 0.973) 3.855 3.422 ( -4.634 0.174 -2.287) 5.171 3.903 ( 2.965 1.015 0.525) 3.178 3.914 ( 3.146 1.343 -1.040) 3.575 4.148 ( -6.976 -0.521 2.197) 7.332 4.192 ( -5.393 -0.819 -2.503) 6.002 4.783 ( 0.134 0.002 0.271) 0.303 4.791 ( -0.678 -0.117 -0.367) 0.779 4.976 ( 3.069 -0.648 1.659) 3.548 4.980 ( 1.345 0.013 1.000) 1.677 5.025 ( 0.656 0.482 0.945) 1.247 5.040 ( -0.021 0.880 -0.247) 0.914 5.556 ( -1.447 -5.980 5.866) 8.500 5.609 ( -1.408 -2.385 6.284) 6.867 5.678 ( 0.571 -4.483 1.138) 4.661 5.862 ( 1.477 0.933 -12.841) 12.959 6.483 ( 2.479 1.332 2.847) 4.003 6.524 ( 3.534 1.043 -1.398) 3.941 ======================= Grid point 326 (104/129) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 0.000 6.903 11.732) 13.612 0.710 ( 0.000 3.016 -10.699) 11.116 0.738 ( 0.000 3.675 16.669) 17.070 1.004 ( 0.000 2.386 -12.139) 12.371 1.058 ( 0.000 2.560 10.276) 10.590 1.194 ( 0.000 0.546 -5.464) 5.492 1.534 ( -0.000 -1.866 1.050) 2.141 1.560 ( -0.000 -0.234 20.607) 20.609 1.563 ( -0.000 -1.502 -2.222) 2.682 1.809 ( -0.000 -1.498 0.883) 1.739 1.822 ( -0.000 -0.157 -1.646) 1.653 1.995 ( 0.000 0.697 -12.099) 12.119 2.039 ( -0.000 -0.119 4.032) 4.034 2.105 ( 0.000 0.117 -3.101) 3.103 2.107 ( -0.000 -2.781 1.897) 3.367 2.144 ( -0.000 -1.895 -2.042) 2.786 3.061 ( 0.000 0.780 6.825) 6.869 3.260 ( 0.000 1.070 -14.908) 14.947 3.357 ( 0.000 0.017 0.648) 0.648 3.370 ( 0.000 0.016 -0.754) 0.754 3.985 ( 0.000 0.139 0.193) 0.238 3.987 ( 0.000 0.142 0.039) 0.148 4.017 ( -0.000 -0.089 3.764) 3.765 4.089 ( -0.000 -0.529 -4.081) 4.115 4.774 ( 0.000 0.019 0.005) 0.020 4.778 ( 0.000 0.000 -0.251) 0.251 5.000 ( 0.000 0.157 2.448) 2.453 5.026 ( 0.000 0.049 0.436) 0.438 5.027 ( 0.000 0.557 -0.168) 0.582 5.035 ( 0.000 0.051 -0.519) 0.522 5.565 ( -0.000 -8.211 6.682) 10.586 5.608 ( -0.000 -1.568 4.259) 4.539 5.706 ( -0.000 -3.031 2.593) 3.989 5.871 ( 0.000 0.925 -12.274) 12.309 6.501 ( 0.000 1.659 3.284) 3.679 6.555 ( 0.000 1.637 -2.497) 2.986 ======================= Grid point 329 (105/129) ======================= q-point: ( 0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -0.548 0.000 2.086) 2.157 0.972 ( -1.827 0.000 -2.545) 3.133 1.410 ( 13.201 -0.000 4.353) 13.900 1.481 ( 10.999 -0.000 -3.132) 11.436 1.651 ( 1.173 -0.000 0.102) 1.178 1.673 ( 0.652 -0.000 -1.148) 1.320 1.723 ( 0.472 -0.000 -1.331) 1.413 1.724 ( -2.020 0.000 -0.775) 2.163 1.769 ( 2.788 -0.000 0.500) 2.832 1.787 ( 5.549 -0.000 -1.656) 5.791 1.994 ( 3.427 -0.000 4.435) 5.605 2.006 ( -0.985 0.000 2.918) 3.080 2.342 ( 3.489 -0.000 0.789) 3.577 2.368 ( 4.400 -0.000 -2.499) 5.060 2.938 ( 6.141 -0.000 12.039) 13.515 3.095 ( 13.919 -0.000 -3.052) 14.250 3.132 ( 7.107 -0.000 3.574) 7.955 3.259 ( 2.201 -0.000 -10.715) 10.939 3.536 ( -4.105 0.000 4.983) 6.457 3.626 ( -1.375 0.000 -4.165) 4.386 3.878 ( 0.275 -0.000 -2.423) 2.438 3.895 ( 2.988 -0.000 -3.586) 4.668 4.177 ( -4.687 0.000 1.324) 4.870 4.212 ( -6.138 0.000 -2.598) 6.665 4.512 ( 2.137 -0.000 2.320) 3.154 4.518 ( 2.094 -0.000 1.918) 2.840 5.019 ( -2.367 0.000 3.275) 4.041 5.036 ( 4.078 -0.000 3.722) 5.521 5.079 ( -3.654 0.000 -1.831) 4.087 5.098 ( 4.149 -0.000 -1.656) 4.468 5.421 ( -3.407 0.000 9.778) 10.355 5.462 ( -3.179 0.000 9.175) 9.710 5.614 ( -4.701 0.000 -10.263) 11.288 5.655 ( -3.427 0.000 -11.626) 12.121 6.387 ( -1.337 0.000 5.162) 5.333 6.455 ( 0.438 -0.000 -2.431) 2.470 ======================= Grid point 330 (106/129) ======================= q-point: ( 0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -0.271 -0.059 1.062) 1.098 0.940 ( -1.332 -0.097 -1.254) 1.832 1.517 ( -4.777 4.132 1.380) 6.465 1.535 ( -2.777 3.425 -0.428) 4.430 1.654 ( -2.263 -2.177 4.109) 5.172 1.698 ( 5.596 0.775 1.186) 5.773 1.713 ( 0.218 -3.310 -1.264) 3.549 1.762 ( 7.228 1.737 -3.695) 8.301 1.889 ( 5.531 -1.153 2.041) 6.007 1.941 ( 7.175 -0.893 -4.045) 8.285 1.973 ( -1.362 -0.724 4.965) 5.199 2.042 ( 1.381 -0.138 -1.227) 1.852 2.373 ( 0.294 -0.456 1.626) 1.714 2.441 ( 2.676 -0.218 -4.670) 5.387 3.022 ( 3.113 0.016 16.346) 16.639 3.247 ( 3.807 -0.067 3.406) 5.109 3.284 ( 5.878 0.035 -6.974) 9.120 3.308 ( 2.567 -0.054 -7.107) 7.557 3.411 ( -7.164 0.045 5.083) 8.785 3.533 ( -7.408 0.034 -8.420) 11.215 3.896 ( 1.623 0.097 2.647) 3.107 3.965 ( 3.177 0.087 -4.814) 5.769 4.116 ( -1.380 -0.002 0.736) 1.565 4.145 ( -0.867 -0.007 -2.469) 2.617 4.608 ( 6.935 -0.000 2.863) 7.503 4.614 ( 7.040 0.005 2.760) 7.561 4.927 ( -6.578 0.015 2.785) 7.143 4.967 ( -7.189 -0.012 -1.425) 7.329 5.133 ( 5.387 0.031 4.338) 6.917 5.193 ( 4.864 0.029 -2.325) 5.391 5.348 ( -4.176 0.028 8.234) 9.232 5.408 ( -2.063 -0.005 8.597) 8.841 5.523 ( -4.448 0.069 -9.359) 10.362 5.595 ( -2.437 0.107 -11.518) 11.773 6.359 ( -1.359 0.306 6.424) 6.573 6.455 ( -0.431 0.278 -4.074) 4.106 ======================= Grid point 331 (107/129) ======================= q-point: ( 0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 0.486 0.070 0.276) 0.563 0.926 ( 0.411 -0.153 -0.063) 0.443 1.395 ( -4.591 3.375 2.555) 6.244 1.435 ( -4.285 2.090 -1.891) 5.129 1.570 ( -7.387 -5.460 5.250) 10.581 1.656 ( -5.777 -4.566 -3.845) 8.307 1.820 ( 3.693 2.676 3.763) 5.913 1.891 ( 5.351 3.248 -3.286) 7.070 1.941 ( 1.964 0.345 5.327) 5.688 2.020 ( 3.382 -0.533 0.978) 3.561 2.034 ( 0.564 -0.716 -1.276) 1.568 2.059 ( 1.334 0.063 -6.206) 6.348 2.387 ( 1.438 -0.195 3.304) 3.609 2.472 ( 0.516 -0.093 -4.994) 5.022 3.057 ( -0.151 -0.054 17.964) 17.965 3.286 ( 0.402 0.035 3.784) 3.805 3.320 ( -0.333 0.041 3.259) 3.276 3.340 ( 0.088 -0.093 -2.854) 2.857 3.385 ( 0.088 0.045 -16.261) 16.261 3.392 ( -0.354 -0.010 -4.161) 4.176 3.912 ( -0.442 0.007 3.967) 3.991 3.994 ( -0.368 0.003 -4.910) 4.924 4.106 ( -0.074 -0.009 0.792) 0.796 4.142 ( -0.053 -0.004 -3.100) 3.100 4.739 ( -0.201 0.003 5.801) 5.804 4.749 ( 0.192 -0.003 6.003) 6.006 4.790 ( -0.216 0.008 -0.381) 0.438 4.844 ( 0.256 -0.005 -4.238) 4.246 5.224 ( 0.137 0.001 1.486) 1.492 5.254 ( 0.005 0.039 -1.476) 1.477 5.268 ( -0.352 -0.047 10.242) 10.248 5.387 ( -0.024 -0.017 7.928) 7.929 5.463 ( -0.247 0.015 -9.543) 9.547 5.565 ( -0.446 0.006 -11.047) 11.056 6.333 ( -1.032 0.004 6.778) 6.856 6.439 ( -0.982 0.003 -4.736) 4.837 ======================= Grid point 332 (108/129) ======================= q-point: (-0.58 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 0.470 0.349 1.627) 1.729 0.954 ( 1.709 0.338 -1.120) 2.072 1.319 ( -2.447 -1.367 2.597) 3.821 1.353 ( -4.853 -2.107 -0.804) 5.351 1.446 ( -6.584 -4.973 4.636) 9.464 1.546 ( -7.196 -4.125 -5.194) 9.787 1.828 ( -0.768 1.205 2.940) 3.269 1.907 ( -2.515 1.631 -5.291) 6.081 1.981 ( 1.084 1.651 2.656) 3.310 2.014 ( -1.281 1.498 -1.267) 2.343 2.058 ( -0.765 1.077 1.784) 2.220 2.059 ( -0.160 1.157 1.642) 2.015 2.426 ( 1.990 0.964 0.175) 2.218 2.467 ( -0.852 0.512 -3.556) 3.693 3.018 ( -3.110 -0.110 15.900) 16.201 3.257 ( -3.631 0.267 3.297) 4.911 3.278 ( -5.305 -0.161 -8.568) 10.079 3.316 ( -3.139 0.162 -5.246) 6.115 3.405 ( 7.388 -0.122 4.746) 8.782 3.528 ( 7.391 -0.123 -8.853) 11.533 3.883 ( -1.744 -0.252 2.388) 2.967 3.954 ( -3.364 -0.223 -5.141) 6.148 4.115 ( 1.533 -0.017 0.831) 1.744 4.145 ( 1.051 -0.007 -2.434) 2.651 4.608 ( -6.933 0.026 2.762) 7.463 4.613 ( -6.971 -0.027 2.806) 7.514 4.925 ( 6.520 -0.034 2.963) 7.161 4.969 ( 7.083 0.047 -1.664) 7.276 5.129 ( -5.717 -0.078 4.405) 7.218 5.190 ( -5.192 -0.053 -2.322) 5.688 5.344 ( 4.163 -0.087 7.906) 8.936 5.406 ( 1.797 -0.115 7.577) 7.788 5.518 ( 4.550 0.034 -9.069) 10.147 5.577 ( 1.505 -0.466 -10.223) 10.344 6.320 ( -0.500 -0.784 6.287) 6.355 6.418 ( -1.291 -0.769 -4.385) 4.636 ======================= Grid point 333 (109/129) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -0.043 0.096 2.596) 2.598 0.980 ( 0.869 0.233 -2.257) 2.430 1.218 ( -9.668 -3.779 4.827) 11.448 1.280 ( -5.256 -4.879 -1.572) 7.342 1.413 ( 0.001 -4.735 0.237) 4.741 1.457 ( -2.455 -4.774 -4.035) 6.716 1.790 ( -2.649 1.058 0.147) 2.856 1.806 ( -6.305 0.704 -1.195) 6.456 1.946 ( -3.098 3.193 1.039) 4.568 1.954 ( -3.225 3.493 0.105) 4.756 1.997 ( -4.001 0.130 4.566) 6.072 2.039 ( -2.300 0.585 0.039) 2.374 2.428 ( -1.615 2.256 -0.515) 2.821 2.432 ( -2.195 1.786 -1.282) 3.107 2.940 ( -5.780 0.099 11.848) 13.183 3.093 ( -14.258 -0.023 -2.804) 14.531 3.134 ( -7.796 0.076 3.264) 8.452 3.261 ( -1.845 0.049 -11.005) 11.159 3.541 ( 4.714 0.123 4.707) 6.663 3.627 ( 1.920 -0.001 -3.949) 4.391 3.878 ( 0.816 0.013 -2.715) 2.835 3.894 ( -1.944 -0.031 -3.652) 4.137 4.182 ( 5.095 0.148 1.401) 5.286 4.218 ( 6.420 0.140 -2.583) 6.921 4.514 ( -1.900 0.082 2.231) 2.931 4.520 ( -1.888 0.032 1.918) 2.692 5.016 ( 2.185 -0.037 3.410) 4.050 5.028 ( -4.117 -0.260 4.236) 5.913 5.075 ( 2.108 0.089 -1.995) 2.903 5.093 ( -2.832 -0.304 -2.025) 3.494 5.417 ( 3.318 -0.034 9.137) 9.721 5.452 ( 2.466 -0.579 7.783) 8.185 5.598 ( 2.573 -0.192 -8.630) 9.008 5.637 ( 4.591 -0.754 -10.285) 11.288 6.323 ( 0.264 -1.682 4.993) 5.275 6.398 ( -1.340 -1.691 -3.012) 3.705 ======================= Grid point 334 (110/129) ======================= q-point: (-0.42 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -2.922 -1.817 3.324) 4.784 0.983 ( -1.041 -1.592 -3.525) 4.006 1.042 ( -8.137 0.726 6.318) 10.327 1.160 ( -6.879 -0.773 -5.965) 9.138 1.454 ( -0.520 -6.880 1.061) 6.981 1.492 ( 1.675 -6.637 -2.684) 7.352 1.671 ( -6.192 1.823 2.317) 6.858 1.698 ( -5.874 3.621 -1.374) 7.036 1.848 ( -4.712 2.063 2.928) 5.919 1.874 ( -3.479 0.755 0.008) 3.560 1.912 ( -4.090 -0.012 3.161) 5.169 1.970 ( -4.009 -0.940 -1.615) 4.423 2.320 ( -8.124 3.168 3.720) 9.480 2.352 ( -4.800 2.482 -0.552) 5.432 2.731 ( -14.580 0.020 0.522) 14.589 2.746 ( -19.636 -0.265 -0.265) 19.639 3.037 ( -1.483 0.046 8.182) 8.315 3.238 ( -0.368 0.484 -12.721) 12.735 3.565 ( -1.712 0.446 3.148) 3.611 3.619 ( -2.281 0.476 -2.683) 3.554 3.885 ( 0.744 0.815 -1.985) 2.272 3.888 ( 0.475 0.724 -2.271) 2.431 4.262 ( 1.735 0.302 2.386) 2.966 4.300 ( 0.029 0.196 -1.809) 1.820 4.567 ( 6.679 0.266 1.404) 6.830 4.585 ( 8.982 0.302 -0.895) 9.032 4.966 ( -2.105 -0.426 3.708) 4.285 5.004 ( -2.370 -0.210 -0.552) 2.442 5.045 ( -1.084 0.017 3.553) 3.715 5.106 ( -0.845 0.024 -2.935) 3.054 5.478 ( 2.244 -0.733 8.157) 8.492 5.509 ( 3.313 -0.871 9.697) 10.284 5.627 ( -0.527 -2.657 -5.786) 6.389 5.742 ( 5.371 0.399 -12.123) 13.265 6.355 ( 2.174 -1.876 3.052) 4.191 6.393 ( 0.249 -1.927 -0.835) 2.114 ======================= Grid point 335 (111/129) ======================= q-point: (-0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -7.535 0.168 6.020) 9.646 0.899 ( -5.509 0.911 0.201) 5.587 0.964 ( -2.433 1.069 0.297) 2.674 1.065 ( -1.389 3.114 -5.999) 6.900 1.405 ( -6.878 0.435 5.752) 8.977 1.515 ( -7.544 4.785 -5.160) 10.317 1.560 ( -2.837 -2.371 -0.799) 3.783 1.565 ( -2.146 -2.564 -1.291) 3.584 1.754 ( -5.324 -3.992 9.669) 11.738 1.809 ( -3.303 -2.487 2.119) 4.646 1.855 ( -2.001 -1.046 1.436) 2.676 1.934 ( 0.377 -0.620 -2.996) 3.082 2.109 ( -9.535 1.956 4.911) 10.903 2.210 ( -8.661 1.378 -4.288) 9.762 2.382 ( -15.479 -0.017 2.403) 15.664 2.441 ( -13.561 0.186 -3.724) 14.064 3.040 ( 1.267 0.510 8.042) 8.157 3.241 ( 1.045 1.122 -13.091) 13.180 3.493 ( -4.708 0.565 2.046) 5.164 3.537 ( -5.354 0.782 -3.082) 6.227 3.892 ( 0.926 1.441 -0.109) 1.716 3.905 ( 1.517 1.818 -1.771) 2.957 4.252 ( -4.023 -0.195 0.367) 4.044 4.254 ( -2.298 -0.190 0.353) 2.333 4.717 ( 6.860 0.347 1.802) 7.101 4.751 ( 5.640 0.037 -1.866) 5.940 4.942 ( -0.848 -0.902 3.180) 3.412 4.970 ( -0.933 -0.253 -0.102) 0.972 5.025 ( -0.151 0.641 2.679) 2.759 5.069 ( -1.771 0.538 -1.926) 2.672 5.506 ( -0.390 -2.945 6.076) 6.763 5.588 ( 3.133 -1.920 7.600) 8.442 5.601 ( -3.432 -4.494 0.980) 5.740 5.828 ( 3.426 0.737 -13.203) 13.661 6.427 ( 3.940 -0.418 1.634) 4.286 6.442 ( 4.233 -0.616 0.427) 4.298 ======================= Grid point 336 (112/129) ======================= q-point: (-0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -3.843 6.563 7.486) 10.672 0.798 ( -3.225 2.656 -1.881) 4.582 0.881 ( -3.681 6.070 5.567) 9.022 1.054 ( 0.864 3.233 -8.561) 9.191 1.223 ( -8.302 4.639 5.211) 10.844 1.306 ( -8.380 5.000 -3.214) 10.274 1.506 ( -2.116 -2.631 4.142) 5.344 1.563 ( -2.723 -4.029 -3.868) 6.214 1.640 ( -7.681 -2.922 16.026) 18.010 1.782 ( -0.865 -2.571 3.883) 4.737 1.829 ( -1.389 -1.162 -1.443) 2.316 1.974 ( 2.401 -1.593 -3.752) 4.730 2.024 ( 0.422 -1.992 -0.438) 2.083 2.049 ( -4.495 -0.998 -5.999) 7.562 2.169 ( -7.038 -0.551 1.680) 7.257 2.216 ( -8.762 0.193 -3.124) 9.305 3.064 ( 1.284 1.032 7.568) 7.745 3.263 ( 1.617 1.595 -13.502) 13.691 3.399 ( -3.891 0.273 1.039) 4.037 3.425 ( -4.888 0.324 -2.127) 5.340 3.916 ( 2.640 1.400 0.785) 3.089 3.931 ( 2.649 1.841 -1.200) 3.442 4.142 ( -6.983 -0.649 1.984) 7.288 4.182 ( -5.677 -1.094 -2.323) 6.231 4.783 ( -0.029 0.034 0.314) 0.317 4.790 ( -0.463 -0.065 -0.274) 0.542 4.967 ( 3.310 -1.060 2.827) 4.480 4.980 ( 1.488 -0.031 0.868) 1.723 5.031 ( 0.474 0.730 1.106) 1.408 5.051 ( 0.065 1.156 -0.515) 1.267 5.473 ( -6.063 -9.178 8.069) 13.642 5.564 ( -1.487 -5.187 -0.716) 5.443 5.656 ( 2.430 -0.396 9.820) 10.124 5.870 ( 1.344 0.593 -12.548) 12.634 6.500 ( 3.412 1.795 2.213) 4.445 6.537 ( 4.581 1.371 -1.484) 5.007 ======================= Grid point 337 (113/129) ======================= q-point: (-0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 0.000 10.009 8.206) 12.943 0.752 ( 0.000 4.651 -8.713) 9.877 0.792 ( 0.000 6.530 15.354) 16.685 1.040 ( 0.000 4.438 -11.292) 12.133 1.098 ( 0.000 4.937 8.325) 9.679 1.204 ( 0.000 1.464 -3.875) 4.143 1.505 ( -0.000 -3.599 1.171) 3.785 1.539 ( -0.000 -2.947 -2.748) 4.029 1.557 ( -0.000 -0.482 20.357) 20.362 1.788 ( -0.000 -2.369 2.025) 3.116 1.819 ( -0.000 -0.395 -2.282) 2.316 2.002 ( 0.000 0.422 -12.683) 12.690 2.037 ( -0.000 -0.200 4.267) 4.272 2.069 ( -0.000 -4.330 2.083) 4.805 2.107 ( 0.000 0.187 -3.245) 3.251 2.114 ( -0.000 -3.676 -2.812) 4.629 3.072 ( 0.000 1.239 7.379) 7.482 3.275 ( 0.000 1.621 -14.636) 14.725 3.357 ( 0.000 0.031 0.646) 0.647 3.370 ( 0.000 0.029 -0.754) 0.755 3.987 ( 0.000 0.240 0.195) 0.309 3.989 ( 0.000 0.245 0.037) 0.248 4.016 ( -0.000 -0.008 3.508) 3.508 4.082 ( -0.000 -0.662 -3.718) 3.777 4.774 ( 0.000 0.031 0.189) 0.191 4.779 ( 0.000 0.059 -0.181) 0.190 5.002 ( 0.000 0.323 2.678) 2.697 5.027 ( 0.000 0.085 0.427) 0.436 5.035 ( 0.000 0.782 -0.416) 0.886 5.036 ( 0.000 0.087 -0.530) 0.537 5.450 ( -0.000 -12.593 12.663) 17.859 5.578 ( -0.000 -4.002 -0.888) 4.100 5.684 ( -0.000 -0.999 8.256) 8.316 5.880 ( 0.000 0.627 -12.075) 12.091 6.524 ( 0.000 2.525 2.667) 3.673 6.577 ( 0.000 2.374 -2.872) 3.726 ======================= Grid point 342 (114/129) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -0.011 0.000 0.153) 0.153 0.925 ( 1.031 -0.000 0.051) 1.032 1.418 ( -5.572 0.000 1.763) 5.845 1.448 ( -5.247 0.000 -1.484) 5.452 1.535 ( -7.238 0.000 5.858) 9.311 1.629 ( -5.266 0.000 -4.172) 6.719 1.834 ( 2.888 -0.000 4.077) 4.996 1.909 ( 4.882 -0.000 -3.246) 5.863 1.943 ( 2.466 -0.000 5.131) 5.693 2.016 ( 4.306 -0.000 0.990) 4.418 2.030 ( 0.727 -0.000 -1.477) 1.647 2.060 ( 1.432 -0.000 -6.084) 6.250 2.386 ( 1.662 -0.000 3.345) 3.735 2.472 ( 0.595 -0.000 -5.020) 5.055 3.057 ( -0.175 0.000 17.965) 17.966 3.286 ( 0.465 -0.000 3.776) 3.805 3.320 ( -0.391 0.000 3.300) 3.323 3.339 ( 0.105 -0.000 -3.019) 3.021 3.386 ( 0.117 -0.000 -16.141) 16.141 3.392 ( -0.423 0.000 -4.146) 4.167 3.912 ( -0.510 0.000 3.968) 4.001 3.994 ( -0.425 0.000 -4.907) 4.926 4.106 ( -0.086 0.000 0.791) 0.796 4.142 ( -0.061 0.000 -3.105) 3.105 4.739 ( -0.233 0.000 5.808) 5.813 4.749 ( 0.222 -0.000 5.997) 6.001 4.790 ( -0.249 0.000 -0.381) 0.455 4.844 ( 0.296 -0.000 -4.239) 4.250 5.224 ( 0.159 -0.000 1.486) 1.494 5.254 ( 0.014 -0.000 -1.693) 1.693 5.268 ( -0.415 0.000 10.456) 10.464 5.387 ( -0.029 0.000 7.905) 7.905 5.463 ( -0.284 0.000 -9.520) 9.525 5.565 ( -0.515 0.000 -11.045) 11.057 6.333 ( -1.191 0.000 6.778) 6.882 6.439 ( -1.134 0.000 -4.736) 4.869 ======================= Grid point 343 (115/129) ======================= q-point: (-0.67 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 0.589 0.139 1.703) 1.807 0.957 ( 1.854 0.125 -1.064) 2.141 1.315 ( -4.561 0.201 1.877) 4.937 1.337 ( -7.010 -1.017 0.470) 7.099 1.408 ( -4.785 -1.999 4.461) 6.840 1.515 ( -6.368 -1.570 -5.616) 8.635 1.836 ( -1.221 0.356 3.015) 3.272 1.918 ( -3.552 0.454 -5.561) 6.614 1.993 ( 1.278 0.578 2.722) 3.062 2.025 ( -0.626 0.479 -0.994) 1.269 2.063 ( -1.450 0.284 2.632) 3.018 2.072 ( 0.937 0.656 0.726) 1.355 2.432 ( 2.393 0.338 0.026) 2.417 2.471 ( -0.512 0.182 -3.400) 3.443 3.017 ( -3.077 -0.045 15.836) 16.132 3.259 ( -3.623 0.105 3.313) 4.910 3.277 ( -5.198 -0.065 -8.794) 10.216 3.317 ( -3.229 0.059 -5.020) 5.969 3.404 ( 7.422 -0.045 4.690) 8.780 3.527 ( 7.381 -0.047 -8.916) 11.575 3.882 ( -1.767 -0.092 2.354) 2.945 3.953 ( -3.391 -0.081 -5.188) 6.198 4.115 ( 1.558 -0.008 0.840) 1.770 4.145 ( 1.077 -0.004 -2.435) 2.662 4.609 ( -6.927 0.012 2.727) 7.444 4.613 ( -6.965 -0.011 2.834) 7.520 4.925 ( 6.513 -0.012 2.991) 7.167 4.969 ( 7.075 0.018 -1.705) 7.278 5.129 ( -5.768 -0.028 4.419) 7.266 5.189 ( -5.241 -0.018 -2.325) 5.734 5.344 ( 4.177 -0.032 7.858) 8.899 5.405 ( 1.708 -0.051 7.321) 7.518 5.519 ( 4.722 0.035 -8.987) 10.152 5.574 ( 1.210 -0.188 -9.947) 10.022 6.314 ( -0.767 -0.284 6.242) 6.295 6.413 ( -1.567 -0.282 -4.425) 4.703 ======================= Grid point 344 (116/129) ======================= q-point: (-0.58 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -0.659 -0.008 2.803) 2.880 0.982 ( 0.439 0.179 -2.253) 2.302 1.189 ( -7.863 -1.757 4.821) 9.389 1.238 ( -4.592 -2.920 -0.565) 5.471 1.375 ( -0.327 -2.500 -0.234) 2.532 1.418 ( -3.654 -2.613 -4.424) 6.305 1.798 ( -2.438 0.495 -0.027) 2.488 1.811 ( -6.311 0.242 -0.987) 6.393 1.971 ( -3.122 1.586 1.994) 4.030 1.980 ( -2.868 1.169 1.003) 3.255 2.002 ( -4.345 1.019 2.930) 5.338 2.043 ( -3.436 0.119 -0.350) 3.456 2.446 ( -1.720 1.114 -0.961) 2.264 2.447 ( -1.369 1.141 -0.877) 1.986 2.941 ( -5.657 0.074 11.799) 13.086 3.093 ( -14.336 -0.004 -2.746) 14.597 3.135 ( -7.971 0.042 3.197) 8.588 3.262 ( -1.758 0.028 -11.074) 11.213 3.542 ( 4.853 0.066 4.635) 6.711 3.627 ( 2.056 -0.005 -3.903) 4.411 3.878 ( 1.080 0.005 -2.777) 2.979 3.894 ( -1.701 -0.018 -3.669) 4.044 4.183 ( 5.196 0.083 1.413) 5.385 4.219 ( 6.491 0.077 -2.581) 6.985 4.515 ( -1.846 0.052 2.191) 2.866 4.520 ( -1.832 0.016 1.935) 2.664 5.016 ( 2.307 -0.004 3.479) 4.174 5.026 ( -4.292 -0.167 4.306) 6.082 5.077 ( 2.651 0.201 -2.230) 3.470 5.089 ( -3.421 -0.307 -1.914) 3.932 5.417 ( 3.400 0.047 9.134) 9.746 5.446 ( 2.081 -0.472 7.030) 7.347 5.598 ( 1.511 0.025 -7.809) 7.954 5.629 ( 5.428 -0.551 -10.017) 11.406 6.309 ( 0.104 -0.927 4.806) 4.896 6.383 ( -1.573 -0.988 -3.094) 3.609 ======================= Grid point 345 (117/129) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -3.811 -1.678 3.391) 5.370 0.966 ( -2.425 -1.476 -3.779) 4.726 1.061 ( -4.388 2.685 5.680) 7.664 1.156 ( -3.992 -0.168 -4.151) 5.762 1.387 ( -0.869 -5.430 0.666) 5.539 1.427 ( 1.487 -5.539 -3.092) 6.516 1.684 ( -5.774 0.824 3.915) 7.025 1.729 ( -4.287 2.245 -1.936) 5.212 1.872 ( -5.988 2.122 2.230) 6.733 1.880 ( -6.346 0.479 1.340) 6.504 1.914 ( -3.955 0.242 1.454) 4.220 1.960 ( -3.914 -0.898 -1.490) 4.283 2.348 ( -8.280 2.059 3.172) 9.103 2.374 ( -5.010 1.648 -0.453) 5.293 2.732 ( -14.674 0.035 0.420) 14.680 2.744 ( -19.693 -0.177 -0.135) 19.694 3.037 ( -1.322 0.037 8.382) 8.485 3.243 ( -0.116 0.340 -12.918) 12.923 3.569 ( -1.599 0.316 3.153) 3.549 3.624 ( -2.044 0.338 -2.685) 3.391 3.892 ( 1.196 0.597 -1.980) 2.389 3.894 ( 0.801 0.513 -2.197) 2.394 4.265 ( 1.682 0.221 2.450) 2.980 4.302 ( -0.040 0.140 -1.670) 1.677 4.569 ( 6.793 0.195 1.414) 6.941 4.588 ( 9.049 0.232 -0.922) 9.098 4.962 ( -2.241 -0.338 3.934) 4.540 5.002 ( -2.425 -0.139 -0.615) 2.505 5.046 ( -0.860 0.089 3.514) 3.619 5.106 ( -0.744 -0.016 -2.953) 3.045 5.471 ( 1.344 -0.466 6.784) 6.932 5.498 ( 3.240 -1.149 8.922) 9.561 5.603 ( -1.520 -1.690 -2.785) 3.595 5.745 ( 5.710 0.276 -12.044) 13.332 6.339 ( 2.593 -1.163 2.672) 3.900 6.375 ( 0.579 -1.426 -0.903) 1.784 ======================= Grid point 346 (118/129) ======================= q-point: (-0.42 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -4.232 0.705 4.054) 5.902 0.898 ( -4.605 -0.784 -4.329) 6.369 0.996 ( -0.770 4.742 5.552) 7.342 1.101 ( -0.577 3.498 -4.640) 5.839 1.380 ( -3.522 -4.681 5.414) 7.976 1.488 ( 0.698 -6.085 -5.765) 8.411 1.570 ( -5.652 2.295 1.285) 6.234 1.590 ( -7.400 5.367 -1.506) 9.265 1.722 ( -7.470 -2.099 7.674) 10.913 1.779 ( -4.303 -3.128 0.001) 5.320 1.850 ( -2.188 -0.190 3.422) 4.066 1.927 ( 0.132 -0.524 -2.923) 2.973 2.124 ( -11.382 1.033 4.923) 12.444 2.222 ( -9.912 0.834 -4.178) 10.789 2.382 ( -15.135 0.003 2.640) 15.364 2.443 ( -13.392 0.168 -3.734) 13.904 3.045 ( 1.513 0.411 8.455) 8.599 3.252 ( 1.300 0.887 -13.297) 13.390 3.498 ( -4.747 0.495 2.179) 5.247 3.545 ( -5.372 0.694 -3.124) 6.253 3.907 ( 1.176 1.238 0.147) 1.714 3.923 ( 1.933 1.518 -1.850) 3.076 4.250 ( -4.373 -0.154 0.415) 4.396 4.252 ( -2.730 -0.180 0.428) 2.769 4.720 ( 6.834 0.312 1.811) 7.077 4.752 ( 5.387 0.109 -1.588) 5.617 4.932 ( -1.268 -0.949 3.916) 4.224 4.967 ( -0.914 -0.244 -0.236) 0.975 5.032 ( 0.216 0.692 2.521) 2.623 5.075 ( -1.336 0.468 -1.894) 2.365 5.476 ( -2.317 -2.629 4.676) 5.844 5.528 ( -3.868 -5.711 -0.583) 6.923 5.598 ( 2.964 0.367 12.163) 12.524 5.835 ( 3.311 0.498 -13.096) 13.517 6.424 ( 5.197 -0.100 1.224) 5.340 6.436 ( 5.195 -0.396 0.377) 5.224 ======================= Grid point 347 (119/129) ======================= q-point: (-0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -1.007 6.269 4.252) 7.642 0.825 ( -1.778 2.362 -2.974) 4.194 0.948 ( -1.665 6.641 7.380) 10.066 1.095 ( 1.885 4.730 -6.264) 8.073 1.270 ( -6.929 3.560 5.616) 9.604 1.366 ( -9.335 6.152 -3.599) 11.745 1.474 ( -3.546 -2.968 1.201) 4.778 1.515 ( -2.349 -4.898 -4.099) 6.805 1.609 ( -6.015 -2.811 16.960) 18.213 1.746 ( -1.224 -4.246 0.846) 4.499 1.822 ( -0.841 -0.238 2.486) 2.635 1.957 ( 1.797 -1.623 -2.394) 3.405 2.000 ( -0.652 -2.516 -0.607) 2.669 2.040 ( -5.502 -0.788 -7.886) 9.648 2.163 ( -8.244 -0.526 2.287) 8.572 2.218 ( -9.030 0.105 -3.333) 9.626 3.075 ( 1.512 0.908 8.134) 8.324 3.278 ( 1.708 1.332 -13.539) 13.712 3.402 ( -4.095 0.289 1.139) 4.261 3.429 ( -5.198 0.395 -1.993) 5.581 3.931 ( 2.305 1.417 1.077) 2.912 3.951 ( 2.157 1.855 -1.383) 3.163 4.135 ( -6.948 -0.593 1.741) 7.187 4.170 ( -5.903 -1.073 -2.065) 6.345 4.783 ( -0.212 0.091 0.423) 0.482 4.789 ( -0.278 0.007 -0.187) 0.335 4.954 ( 3.578 -1.290 4.561) 5.939 4.979 ( 1.684 -0.081 0.722) 1.833 5.039 ( 0.237 0.834 1.275) 1.542 5.064 ( 0.149 1.149 -0.749) 1.380 5.378 ( -8.488 -8.219 10.527) 15.824 5.511 ( -0.866 -4.721 -3.017) 5.669 5.657 ( 2.420 0.329 11.618) 11.872 5.875 ( 1.250 0.380 -12.024) 12.095 6.520 ( 4.273 1.790 1.748) 4.952 6.552 ( 5.524 1.351 -1.396) 5.856 ======================= Grid point 348 (120/129) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.000 9.410 4.760) 10.545 0.802 ( 0.000 4.429 -6.506) 7.870 0.871 ( 0.000 8.169 13.850) 16.079 1.095 ( 0.000 5.933 -10.052) 11.673 1.159 ( 0.000 6.495 6.004) 8.845 1.229 ( 0.000 3.433 -1.399) 3.707 1.459 ( -0.000 -5.049 1.294) 5.213 1.501 ( -0.000 -4.269 -3.582) 5.572 1.550 ( -0.000 -0.784 19.740) 19.756 1.757 ( -0.000 -3.671 1.058) 3.821 1.816 ( -0.000 -0.136 -0.493) 0.511 2.001 ( -0.000 -0.896 -11.418) 11.453 2.022 ( -0.000 -3.945 0.058) 3.946 2.035 ( -0.000 -0.223 4.570) 4.575 2.069 ( -0.000 -4.702 -3.323) 5.757 2.109 ( 0.000 0.194 -3.432) 3.437 3.085 ( 0.000 1.255 8.031) 8.128 3.292 ( 0.000 1.525 -14.236) 14.318 3.357 ( 0.000 0.037 0.643) 0.644 3.371 ( 0.000 0.035 -0.755) 0.756 3.990 ( 0.000 0.277 0.198) 0.340 3.992 ( 0.000 0.282 0.034) 0.284 4.017 ( 0.000 0.200 3.244) 3.250 4.076 ( -0.000 -0.366 -3.295) 3.315 4.775 ( 0.000 0.077 0.465) 0.471 4.780 ( 0.000 0.095 -0.050) 0.107 5.006 ( 0.000 0.445 2.990) 3.023 5.028 ( 0.000 0.098 0.416) 0.427 5.037 ( 0.000 0.101 -0.545) 0.554 5.042 ( 0.000 0.574 -0.305) 0.650 5.321 ( -0.000 -11.083 18.162) 21.276 5.529 ( -0.000 -4.931 -4.861) 6.924 5.680 ( 0.000 0.106 10.768) 10.768 5.885 ( 0.000 0.405 -11.435) 11.442 6.552 ( 0.000 2.677 2.281) 3.517 6.602 ( 0.000 2.332 -2.880) 3.705 ======================= Grid point 355 (121/129) ======================= q-point: (-0.67 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -0.978 0.000 2.904) 3.064 0.983 ( 0.260 -0.000 -2.283) 2.298 1.180 ( -6.888 0.000 4.819) 8.407 1.222 ( -4.580 0.000 -0.147) 4.583 1.362 ( -0.338 0.000 -0.423) 0.541 1.404 ( -4.183 0.000 -4.585) 6.207 1.801 ( -2.339 0.000 -0.106) 2.341 1.812 ( -6.356 0.000 -0.906) 6.421 1.981 ( -3.869 0.000 3.368) 5.130 1.983 ( -2.146 0.000 1.274) 2.496 2.010 ( -4.109 0.000 1.247) 4.294 2.043 ( -4.015 0.000 -0.367) 4.032 2.452 ( -1.752 0.000 -1.019) 2.026 2.454 ( -1.096 0.000 -0.837) 1.379 2.941 ( -5.608 0.000 11.781) 13.047 3.093 ( -14.364 0.000 -2.724) 14.620 3.135 ( -8.036 0.000 3.173) 8.640 3.262 ( -1.726 0.000 -11.099) 11.233 3.542 ( 4.903 -0.000 4.608) 6.728 3.627 ( 2.106 -0.000 -3.887) 4.421 3.878 ( 1.176 -0.000 -2.799) 3.036 3.894 ( -1.613 0.000 -3.675) 4.013 4.184 ( 5.233 -0.000 1.416) 5.421 4.219 ( 6.517 -0.000 -2.580) 7.009 4.515 ( -1.827 0.000 2.174) 2.840 4.520 ( -1.811 0.000 1.943) 2.656 5.016 ( 2.420 -0.000 3.511) 4.264 5.025 ( -4.426 0.000 4.322) 6.186 5.078 ( 3.625 -0.000 -2.444) 4.373 5.087 ( -4.409 0.000 -1.744) 4.742 5.418 ( 3.485 -0.000 9.207) 9.845 5.443 ( 1.871 -0.000 6.659) 6.917 5.598 ( 0.897 -0.000 -7.415) 7.469 5.626 ( 5.964 -0.000 -9.978) 11.625 6.304 ( 0.057 -0.000 4.721) 4.721 6.378 ( -1.661 0.000 -3.117) 3.532 ======================= Grid point 357 (122/129) ======================= q-point: (-0.58 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -3.817 -0.617 3.339) 5.109 0.955 ( -3.074 -0.582 -3.927) 5.021 1.090 ( -1.948 2.105 4.815) 5.605 1.151 ( -2.482 -0.686 -1.600) 3.032 1.348 ( -2.056 -1.770 -0.416) 2.745 1.382 ( 1.315 -2.533 -3.368) 4.414 1.690 ( -5.562 0.208 4.712) 7.293 1.745 ( -3.203 0.738 -2.362) 4.047 1.879 ( -6.835 0.014 3.386) 7.627 1.895 ( -7.555 1.403 0.273) 7.689 1.914 ( -4.533 -0.176 0.814) 4.608 1.952 ( -3.238 -0.429 -1.325) 3.525 2.362 ( -8.418 0.708 2.888) 8.928 2.386 ( -5.160 0.573 -0.413) 5.208 2.732 ( -14.732 0.017 0.363) 14.737 2.742 ( -19.728 -0.061 -0.055) 19.728 3.038 ( -1.230 0.014 8.494) 8.583 3.245 ( 0.022 0.122 -13.026) 13.027 3.572 ( -1.532 0.113 3.155) 3.509 3.626 ( -1.908 0.121 -2.688) 3.298 3.897 ( 1.544 0.223 -1.978) 2.519 3.898 ( 0.898 0.180 -2.161) 2.347 4.267 ( 1.653 0.081 2.484) 2.984 4.303 ( -0.078 0.050 -1.592) 1.595 4.571 ( 6.857 0.071 1.423) 7.004 4.590 ( 9.093 0.087 -0.943) 9.142 4.959 ( -2.341 -0.129 4.088) 4.713 5.001 ( -2.451 -0.047 -0.641) 2.534 5.047 ( -0.723 0.052 3.441) 3.517 5.106 ( -0.682 -0.016 -2.943) 3.021 5.468 ( 0.670 -0.054 5.629) 5.669 5.488 ( 3.006 -0.664 8.449) 8.993 5.592 ( -1.756 -0.533 -0.652) 1.947 5.747 ( 5.890 0.100 -11.988) 13.357 6.331 ( 2.874 -0.378 2.366) 3.742 6.364 ( 0.778 -0.530 -0.876) 1.286 ======================= Grid point 358 (123/129) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -2.125 0.594 2.454) 3.300 0.889 ( -3.441 -0.752 -4.528) 5.736 1.056 ( 0.290 6.150 5.553) 8.291 1.131 ( 0.551 1.548 -1.895) 2.508 1.324 ( -2.579 -4.926 4.136) 6.930 1.428 ( 0.837 -4.807 -6.280) 7.952 1.592 ( -4.613 1.497 6.100) 7.793 1.646 ( -6.374 4.961 -1.979) 8.316 1.709 ( -9.672 -0.580 3.190) 10.201 1.744 ( -5.816 -3.475 -0.745) 6.816 1.849 ( -2.093 0.009 4.192) 4.685 1.923 ( -0.065 -0.266 -2.772) 2.786 2.131 ( -12.726 0.380 5.033) 13.691 2.228 ( -10.771 0.372 -4.151) 11.549 2.382 ( -14.923 0.007 2.806) 15.184 2.444 ( -13.300 0.097 -3.742) 13.816 3.049 ( 1.672 0.226 8.742) 8.903 3.259 ( 1.456 0.482 -13.425) 13.512 3.503 ( -4.769 0.284 2.276) 5.292 3.551 ( -5.369 0.402 -3.167) 6.247 3.917 ( 1.358 0.715 0.302) 1.564 3.935 ( 2.237 0.856 -1.906) 3.061 4.249 ( -4.688 -0.082 0.428) 4.708 4.250 ( -3.003 -0.120 0.500) 3.046 4.723 ( 6.834 0.184 1.856) 7.084 4.753 ( 5.238 0.102 -1.440) 5.433 4.924 ( -1.613 -0.622 4.576) 4.891 4.965 ( -0.947 -0.156 -0.340) 1.018 5.039 ( 0.505 0.486 2.355) 2.457 5.079 ( -1.012 0.256 -1.816) 2.094 5.453 ( -5.143 -1.570 3.632) 6.489 5.480 ( -2.840 -3.213 1.065) 4.419 5.601 ( 3.242 0.217 12.455) 12.872 5.838 ( 3.213 0.252 -12.988) 13.382 6.424 ( 6.007 0.037 0.926) 6.078 6.433 ( 5.951 -0.182 0.399) 5.967 ======================= Grid point 359 (124/129) ======================= q-point: (-0.42 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.704 4.141 1.235) 4.378 0.844 ( -0.659 1.124 -3.160) 3.418 1.023 ( -0.390 7.751 8.856) 11.775 1.151 ( 3.005 5.459 -3.703) 7.249 1.282 ( -3.538 -1.768 5.722) 6.956 1.416 ( -6.816 0.496 -7.548) 10.183 1.459 ( -6.507 1.027 1.114) 6.681 1.475 ( -4.848 -0.446 -1.450) 5.080 1.581 ( -4.763 -2.374 15.120) 16.029 1.697 ( -1.647 -4.823 -0.248) 5.103 1.822 ( -0.791 0.140 4.619) 4.688 1.942 ( 0.860 -1.031 -1.875) 2.306 1.973 ( -1.863 -2.521 -0.531) 3.179 2.033 ( -5.982 -0.492 -8.755) 10.615 2.158 ( -8.957 -0.359 2.771) 9.383 2.218 ( -9.216 0.034 -3.455) 9.842 3.083 ( 1.671 0.593 8.565) 8.746 3.290 ( 1.720 0.836 -13.518) 13.652 3.405 ( -4.279 0.217 1.237) 4.459 3.433 ( -5.473 0.313 -1.919) 5.808 3.945 ( 2.045 1.053 1.323) 2.653 3.969 ( 1.783 1.369 -1.542) 2.726 4.129 ( -6.886 -0.412 1.530) 7.066 4.160 ( -5.993 -0.781 -1.809) 6.309 4.785 ( -0.326 0.153 0.512) 0.626 4.789 ( -0.226 -0.005 -0.065) 0.235 4.941 ( 3.786 -1.109 6.457) 7.567 4.978 ( 1.873 -0.088 0.603) 1.970 5.048 ( 0.002 0.726 1.409) 1.585 5.074 ( 0.240 0.856 -0.881) 1.251 5.307 ( -9.149 -5.214 11.488) 15.584 5.468 ( -0.829 -3.290 -4.330) 5.501 5.660 ( 2.374 0.306 12.110) 12.344 5.878 ( 1.197 0.219 -11.563) 11.627 6.536 ( 4.910 1.313 1.472) 5.291 6.565 ( 6.188 0.989 -1.221) 6.385 ======================= Grid point 360 (125/129) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 0.000 6.644 1.952) 6.925 0.841 ( 0.000 2.829 -4.627) 5.424 0.960 ( 0.000 8.432 12.736) 15.275 1.163 ( 0.000 6.781 -8.544) 10.908 1.229 ( 0.000 6.501 4.702) 8.023 1.279 ( 0.000 6.008 0.880) 6.072 1.401 ( -0.000 -5.924 1.247) 6.053 1.450 ( -0.000 -5.380 -4.718) 7.156 1.540 ( -0.000 -1.198 18.288) 18.328 1.711 ( -0.000 -4.985 0.328) 4.996 1.816 ( 0.000 0.142 1.602) 1.609 1.973 ( -0.000 -3.445 -0.970) 3.579 2.000 ( -0.000 -1.179 -11.527) 11.587 2.020 ( -0.000 -4.268 -3.215) 5.344 2.033 ( -0.000 -0.187 4.853) 4.856 2.111 ( 0.000 0.152 -3.608) 3.612 3.097 ( 0.000 0.938 8.573) 8.624 3.305 ( 0.000 1.049 -13.815) 13.854 3.358 ( 0.000 0.034 0.641) 0.642 3.371 ( 0.000 0.032 -0.756) 0.756 3.993 ( 0.000 0.239 0.200) 0.312 3.995 ( 0.000 0.243 0.030) 0.245 4.020 ( 0.000 0.327 3.067) 3.085 4.074 ( 0.000 0.010 -2.986) 2.986 4.776 ( 0.000 0.141 0.734) 0.747 4.780 ( 0.000 0.050 0.194) 0.200 5.011 ( 0.000 0.510 3.360) 3.399 5.029 ( 0.000 0.084 0.405) 0.413 5.038 ( 0.000 0.087 -0.559) 0.566 5.045 ( -0.000 -0.057 1.029) 1.031 5.225 ( -0.000 -7.066 19.740) 20.966 5.480 ( -0.000 -4.147 -7.126) 8.245 5.683 ( 0.000 0.314 11.633) 11.637 5.888 ( 0.000 0.264 -10.803) 10.806 6.578 ( 0.000 2.211 2.065) 3.026 6.624 ( 0.000 1.826 -2.616) 3.190 ======================= Grid point 369 (126/129) ======================= q-point: (-0.58 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -1.412 0.000 1.845) 2.323 0.884 ( -3.096 0.000 -4.289) 5.290 1.106 ( 2.287 -0.000 3.451) 4.140 1.126 ( -0.093 0.000 2.105) 2.107 1.296 ( -2.754 0.000 2.909) 4.006 1.399 ( 0.658 -0.000 -6.928) 6.959 1.600 ( -3.879 0.000 8.709) 9.534 1.684 ( -3.872 0.000 -2.619) 4.675 1.708 ( -9.933 0.000 0.391) 9.941 1.713 ( -9.081 0.000 -0.187) 9.083 1.849 ( -2.033 0.000 4.425) 4.869 1.922 ( -0.144 0.000 -2.698) 2.702 2.133 ( -13.232 0.000 5.098) 14.181 2.230 ( -11.072 0.000 -4.152) 11.825 2.382 ( -14.854 0.000 2.865) 15.128 2.445 ( -13.273 0.000 -3.746) 13.791 3.050 ( 1.727 -0.000 8.845) 9.012 3.262 ( 1.508 -0.000 -13.467) 13.551 3.504 ( -4.776 0.000 2.311) 5.306 3.553 ( -5.366 0.000 -3.186) 6.241 3.921 ( 1.424 -0.000 0.353) 1.467 3.940 ( 2.349 -0.000 -1.925) 3.037 4.248 ( -4.856 0.000 0.420) 4.874 4.249 ( -3.056 0.000 0.537) 3.102 4.724 ( 6.837 -0.000 1.882) 7.092 4.754 ( 5.192 -0.000 -1.402) 5.378 4.920 ( -1.751 0.000 4.847) 5.154 4.964 ( -0.967 0.000 -0.379) 1.038 5.041 ( 0.621 -0.000 2.279) 2.362 5.080 ( -0.894 0.000 -1.767) 1.980 5.445 ( -7.535 0.000 3.190) 8.183 5.463 ( -0.997 0.000 1.702) 1.973 5.602 ( 3.300 -0.000 12.529) 12.957 5.840 ( 3.176 -0.000 -12.945) 13.329 6.424 ( 6.275 -0.000 0.815) 6.328 6.432 ( 6.243 -0.000 0.421) 6.257 ======================= Grid point 371 (127/129) ======================= q-point: (-0.50 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 1.648 1.657 -0.611) 2.415 0.849 ( -0.293 -0.034 -2.448) 2.466 1.105 ( -0.597 6.745 9.773) 11.889 1.189 ( 5.000 -0.073 1.503) 5.221 1.251 ( -1.214 -1.637 1.698) 2.653 1.383 ( -3.561 -3.276 -10.471) 11.535 1.484 ( -8.126 2.869 3.363) 9.251 1.499 ( -8.689 1.320 2.830) 9.233 1.564 ( -4.371 -0.472 8.770) 9.810 1.651 ( -1.685 -3.208 -0.337) 3.639 1.823 ( -0.832 0.099 5.650) 5.712 1.937 ( 0.671 0.033 -1.694) 1.822 1.950 ( -3.118 -1.482 -0.262) 3.463 2.029 ( -6.184 -0.166 -9.081) 10.988 2.155 ( -9.266 -0.126 3.025) 9.748 2.219 ( -9.302 0.006 -3.510) 9.943 3.087 ( 1.745 0.203 8.793) 8.967 3.296 ( 1.700 0.281 -13.485) 13.594 3.407 ( -4.386 0.080 1.294) 4.573 3.435 ( -5.631 0.116 -1.890) 5.941 3.952 ( 1.906 0.390 1.462) 2.434 3.979 ( 1.582 0.505 -1.632) 2.328 4.126 ( -6.841 -0.150 1.405) 6.985 4.154 ( -5.992 -0.287 -1.653) 6.223 4.786 ( -0.380 0.121 0.495) 0.635 4.789 ( -0.245 -0.052 0.098) 0.269 4.932 ( 3.896 -0.442 7.720) 8.659 4.978 ( 1.990 -0.038 0.540) 2.062 5.054 ( -0.155 0.306 1.472) 1.512 5.081 ( 0.327 0.317 -0.908) 1.016 5.270 ( -9.201 -1.755 11.521) 14.848 5.444 ( -0.867 -1.185 -4.986) 5.198 5.663 ( 2.357 0.114 12.283) 12.508 5.880 ( 1.173 0.072 -11.307) 11.367 6.546 ( 5.245 0.482 1.347) 5.437 6.572 ( 6.524 0.363 -1.092) 6.625 ======================= Grid point 372 (128/129) ======================= q-point: (-0.42 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.000 3.540 -0.041) 3.540 0.860 ( 0.000 0.859 -3.089) 3.206 1.041 ( 0.000 6.564 12.597) 14.204 1.236 ( 0.000 6.866 -6.665) 9.569 1.293 ( 0.000 5.384 4.845) 7.243 1.339 ( -0.000 -5.228 0.657) 5.269 1.342 ( 0.000 5.024 2.699) 5.703 1.389 ( -0.000 -6.031 -6.356) 8.762 1.526 ( -0.000 -1.209 15.220) 15.268 1.658 ( -0.000 -4.599 0.456) 4.622 1.818 ( 0.000 0.103 3.128) 3.130 1.942 ( -0.000 -2.219 -0.896) 2.393 1.978 ( -0.000 -2.448 -5.366) 5.898 1.995 ( -0.000 -0.789 -9.874) 9.905 2.031 ( -0.000 -0.106 5.048) 5.049 2.112 ( 0.000 0.082 -3.732) 3.733 3.105 ( 0.000 0.481 8.910) 8.923 3.314 ( 0.000 0.505 -13.501) 13.510 3.358 ( 0.000 0.020 0.639) 0.639 3.371 ( 0.000 0.019 -0.756) 0.756 3.995 ( 0.000 0.138 0.202) 0.244 3.997 ( 0.000 0.140 0.028) 0.143 4.023 ( 0.000 0.243 2.987) 2.997 4.075 ( 0.000 0.133 -2.844) 2.847 4.778 ( 0.000 0.168 0.905) 0.920 4.780 ( -0.000 -0.046 0.497) 0.500 5.017 ( 0.000 0.523 3.546) 3.585 5.029 ( 0.000 0.049 0.396) 0.399 5.039 ( 0.000 0.050 -0.570) 0.572 5.041 ( -0.000 -0.671 4.260) 4.313 5.172 ( -0.000 -2.968 17.601) 17.849 5.445 ( -0.000 -2.322 -8.291) 8.610 5.686 ( 0.000 0.205 11.965) 11.967 5.891 ( 0.000 0.133 -10.378) 10.378 6.597 ( 0.000 1.247 1.954) 2.318 6.639 ( 0.000 1.004 -2.339) 2.545 ======================= Grid point 384 (129/129) ======================= q-point: ( 0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 0.000 0.000 -0.966) 0.966 0.862 ( 0.000 0.000 -2.259) 2.259 1.081 ( 0.000 0.000 13.221) 13.221 1.294 ( 0.000 0.000 -3.773) 3.773 1.304 ( -0.000 -0.000 0.200) 0.200 1.327 ( 0.000 0.000 4.619) 4.619 1.339 ( 0.000 0.000 -9.577) 9.577 1.370 ( 0.000 0.000 4.983) 4.983 1.519 ( 0.000 0.000 12.225) 12.225 1.629 ( 0.000 0.000 0.829) 0.829 1.818 ( 0.000 0.000 3.727) 3.727 1.930 ( 0.000 0.000 -0.872) 0.872 1.965 ( 0.000 0.000 -4.403) 4.403 1.991 ( 0.000 0.000 -10.848) 10.848 2.031 ( 0.000 0.000 5.117) 5.117 2.112 ( 0.000 0.000 -3.777) 3.777 3.107 ( 0.000 0.000 9.022) 9.022 3.316 ( 0.000 0.000 -13.386) 13.386 3.358 ( 0.000 0.000 0.638) 0.638 3.371 ( 0.000 0.000 -0.756) 0.756 3.996 ( 0.000 0.000 0.202) 0.202 3.997 ( 0.000 0.000 0.028) 0.028 4.025 ( 0.000 0.000 2.966) 2.966 4.076 ( 0.000 0.000 -2.810) 2.810 4.779 ( -0.000 -0.000 1.000) 1.000 4.780 ( 0.000 0.000 0.603) 0.603 5.021 ( 0.000 0.000 3.004) 3.004 5.030 ( 0.000 0.000 0.393) 0.393 5.036 ( 0.000 0.000 6.851) 6.851 5.039 ( 0.000 0.000 -0.573) 0.573 5.158 ( 0.000 0.000 15.842) 15.842 5.433 ( 0.000 0.000 -8.647) 8.647 5.687 ( 0.000 0.000 12.057) 12.057 5.891 ( 0.000 0.000 -10.230) 10.230 6.604 ( 0.000 0.000 1.919) 1.919 6.645 ( 0.000 0.000 -2.227) 2.227 =================== 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 3/25920 10.0 38.444 36.305 34.032 0.000 0.000 0.000 3/25920 20.0 13.371 7.096 8.928 0.000 0.000 0.000 3/25920 30.0 9.353 4.068 5.691 0.000 0.000 0.000 3/25920 40.0 7.364 2.893 4.363 0.000 0.000 0.000 3/25920 50.0 6.093 2.250 3.605 0.000 0.000 0.000 3/25920 60.0 5.203 1.845 3.105 0.000 0.000 0.000 3/25920 70.0 4.544 1.567 2.744 0.000 0.000 0.000 3/25920 80.0 4.035 1.365 2.467 0.000 0.000 0.000 3/25920 90.0 3.630 1.211 2.244 0.000 0.000 0.000 3/25920 100.0 3.300 1.089 2.060 0.000 0.000 0.000 3/25920 110.0 3.025 0.991 1.905 0.000 0.000 0.000 3/25920 120.0 2.792 0.909 1.771 0.000 0.000 0.000 3/25920 130.0 2.592 0.839 1.655 0.000 0.000 0.000 3/25920 140.0 2.419 0.780 1.552 0.000 0.000 0.000 3/25920 150.0 2.268 0.729 1.462 0.000 0.000 0.000 3/25920 160.0 2.134 0.684 1.381 0.000 0.000 0.000 3/25920 170.0 2.015 0.644 1.309 0.000 0.000 0.000 3/25920 180.0 1.909 0.609 1.243 0.000 0.000 0.000 3/25920 190.0 1.813 0.577 1.184 0.000 0.000 0.000 3/25920 200.0 1.727 0.549 1.130 0.000 0.000 0.000 3/25920 210.0 1.648 0.523 1.081 0.000 0.000 0.000 3/25920 220.0 1.576 0.499 1.035 0.000 0.000 0.000 3/25920 230.0 1.510 0.478 0.994 0.000 0.000 0.000 3/25920 240.0 1.449 0.458 0.955 0.000 0.000 0.000 3/25920 250.0 1.393 0.440 0.919 0.000 0.000 0.000 3/25920 260.0 1.341 0.423 0.886 0.000 0.000 0.000 3/25920 270.0 1.293 0.408 0.855 0.000 0.000 0.000 3/25920 280.0 1.248 0.393 0.826 0.000 0.000 0.000 3/25920 290.0 1.207 0.380 0.799 0.000 0.000 0.000 3/25920 300.0 1.168 0.367 0.774 0.000 0.000 0.000 3/25920 310.0 1.131 0.356 0.750 0.000 0.000 0.000 3/25920 320.0 1.096 0.345 0.728 0.000 0.000 0.000 3/25920 330.0 1.064 0.334 0.707 0.000 0.000 0.000 3/25920 340.0 1.033 0.325 0.687 0.000 0.000 0.000 3/25920 350.0 1.005 0.315 0.668 0.000 0.000 0.000 3/25920 360.0 0.977 0.307 0.650 0.000 0.000 0.000 3/25920 370.0 0.951 0.298 0.633 0.000 0.000 0.000 3/25920 380.0 0.927 0.291 0.617 0.000 0.000 0.000 3/25920 390.0 0.904 0.283 0.602 0.000 0.000 0.000 3/25920 400.0 0.881 0.276 0.587 0.000 0.000 0.000 3/25920 410.0 0.860 0.270 0.574 0.000 0.000 0.000 3/25920 420.0 0.840 0.263 0.560 0.000 0.000 0.000 3/25920 430.0 0.821 0.257 0.548 0.000 0.000 0.000 3/25920 440.0 0.803 0.251 0.536 0.000 0.000 0.000 3/25920 450.0 0.785 0.246 0.524 0.000 0.000 0.000 3/25920 460.0 0.768 0.240 0.513 0.000 0.000 0.000 3/25920 470.0 0.752 0.235 0.502 0.000 0.000 0.000 3/25920 480.0 0.737 0.230 0.492 0.000 0.000 0.000 3/25920 490.0 0.722 0.226 0.482 0.000 0.000 0.000 3/25920 500.0 0.708 0.221 0.473 0.000 0.000 0.000 3/25920 510.0 0.694 0.217 0.464 0.000 0.000 0.000 3/25920 520.0 0.681 0.213 0.455 0.000 0.000 0.000 3/25920 530.0 0.668 0.209 0.447 0.000 0.000 0.000 3/25920 540.0 0.656 0.205 0.439 0.000 0.000 0.000 3/25920 550.0 0.644 0.201 0.431 0.000 0.000 0.000 3/25920 560.0 0.633 0.198 0.423 0.000 0.000 0.000 3/25920 570.0 0.622 0.194 0.416 0.000 0.000 0.000 3/25920 580.0 0.611 0.191 0.409 0.000 0.000 0.000 3/25920 590.0 0.601 0.188 0.402 0.000 0.000 0.000 3/25920 600.0 0.591 0.185 0.396 0.000 0.000 0.000 3/25920 610.0 0.582 0.182 0.389 0.000 0.000 0.000 3/25920 620.0 0.572 0.179 0.383 0.000 0.000 0.000 3/25920 630.0 0.564 0.176 0.377 0.000 0.000 0.000 3/25920 640.0 0.555 0.173 0.371 0.000 0.000 0.000 3/25920 650.0 0.546 0.170 0.366 0.000 0.000 0.000 3/25920 660.0 0.538 0.168 0.360 0.000 0.000 0.000 3/25920 670.0 0.530 0.165 0.355 0.000 0.000 0.000 3/25920 680.0 0.523 0.163 0.350 0.000 0.000 0.000 3/25920 690.0 0.515 0.161 0.345 0.000 0.000 0.000 3/25920 700.0 0.508 0.158 0.340 0.000 0.000 0.000 3/25920 710.0 0.501 0.156 0.335 0.000 0.000 0.000 3/25920 720.0 0.494 0.154 0.331 0.000 0.000 0.000 3/25920 730.0 0.487 0.152 0.326 0.000 0.000 0.000 3/25920 740.0 0.481 0.150 0.322 0.000 0.000 0.000 3/25920 750.0 0.474 0.148 0.318 0.000 0.000 0.000 3/25920 760.0 0.468 0.146 0.314 0.000 0.000 0.000 3/25920 770.0 0.462 0.144 0.310 0.000 0.000 0.000 3/25920 780.0 0.456 0.142 0.306 0.000 0.000 0.000 3/25920 790.0 0.450 0.140 0.302 0.000 0.000 0.000 3/25920 800.0 0.445 0.139 0.298 0.000 0.000 0.000 3/25920 810.0 0.439 0.137 0.295 0.000 0.000 0.000 3/25920 820.0 0.434 0.135 0.291 0.000 0.000 0.000 3/25920 830.0 0.429 0.134 0.287 0.000 0.000 0.000 3/25920 840.0 0.424 0.132 0.284 0.000 0.000 0.000 3/25920 850.0 0.419 0.130 0.281 0.000 0.000 0.000 3/25920 860.0 0.414 0.129 0.278 0.000 0.000 0.000 3/25920 870.0 0.409 0.127 0.274 0.000 0.000 0.000 3/25920 880.0 0.405 0.126 0.271 0.000 0.000 0.000 3/25920 890.0 0.400 0.125 0.268 0.000 0.000 0.000 3/25920 900.0 0.396 0.123 0.265 0.000 0.000 0.000 3/25920 910.0 0.391 0.122 0.263 0.000 0.000 0.000 3/25920 920.0 0.387 0.121 0.260 0.000 0.000 0.000 3/25920 930.0 0.383 0.119 0.257 0.000 0.000 0.000 3/25920 940.0 0.379 0.118 0.254 0.000 0.000 0.000 3/25920 950.0 0.375 0.117 0.252 0.000 0.000 0.000 3/25920 960.0 0.371 0.116 0.249 0.000 0.000 0.000 3/25920 970.0 0.367 0.114 0.246 0.000 0.000 0.000 3/25920 980.0 0.364 0.113 0.244 0.000 0.000 0.000 3/25920 990.0 0.360 0.112 0.242 0.000 0.000 0.000 3/25920 1000.0 0.356 0.111 0.239 0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m12125.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:54:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|