----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:06:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.087142630168053 0.000000000000000 0.000000000000000 b 0.000000000000000 5.390412250000000 0.000000000000000 c -0.612102923165635 0.000000000000000 5.233157105550552 Atomic positions (fractional): *1 O 0.73476272067358 0.44005175154841 0.00958476648951 15.999 2 O 0.26523727932642 0.44005175154841 0.49041523351049 15.999 3 O 0.26523727932642 0.55994824845159 0.99041523351049 15.999 4 O 0.73476272067358 0.55994824845159 0.50958476648951 15.999 *5 O 0.24899532879411 0.92204236427216 0.59742843949315 15.999 6 O 0.75100467120589 0.92204236427216 0.90257156050685 15.999 7 O 0.75100467120589 0.07795763572784 0.40257156050685 15.999 8 O 0.24899532879411 0.07795763572784 0.09742843949315 15.999 *9 Ho 0.00000000000000 0.23483363429862 0.75000000000000 164.930 10 Ho 0.00000000000000 0.76516636570138 0.25000000000000 164.930 *11 Ta 0.50000000000000 0.30369984327885 0.25000000000000 180.948 12 Ta 0.50000000000000 0.69630015672115 0.75000000000000 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.087142630168053 0.000000000000000 0.000000000000000 b 0.000000000000000 5.390412250000000 0.000000000000000 c -0.612102923165635 0.000000000000000 5.233157105550552 Atomic positions (fractional): *1 O 0.73476272067358 0.44005175154841 0.00958476648951 15.999 > 1 2 O 0.26523727932642 0.44005175154841 0.49041523351049 15.999 > 2 3 O 0.26523727932642 0.55994824845159 0.99041523351049 15.999 > 3 4 O 0.73476272067358 0.55994824845159 0.50958476648951 15.999 > 4 *5 O 0.24899532879411 0.92204236427216 0.59742843949315 15.999 > 5 6 O 0.75100467120589 0.92204236427216 0.90257156050685 15.999 > 6 7 O 0.75100467120589 0.07795763572784 0.40257156050685 15.999 > 7 8 O 0.24899532879411 0.07795763572784 0.09742843949315 15.999 > 8 *9 Ho 0.00000000000000 0.23483363429862 0.75000000000000 164.930 > 9 10 Ho 0.00000000000000 0.76516636570138 0.25000000000000 164.930 > 10 *11 Ta 0.50000000000000 0.30369984327885 0.25000000000000 180.948 > 11 12 Ta 0.50000000000000 0.69630015672115 0.75000000000000 180.948 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.261427890504159 0.000000000000000 0.000000000000000 b 0.000000000000000 10.780824500000000 0.000000000000000 c -1.224205846331270 0.000000000000000 10.466314211101103 Atomic positions (fractional): *1 O 0.24492090689119 0.22002587577421 0.00479238324475 15.999 > 1 2 O 0.57825424022453 0.22002587577421 0.00479238324475 15.999 > 1 3 O 0.91158757355786 0.22002587577421 0.00479238324475 15.999 > 1 4 O 0.24492090689119 0.72002587577421 0.00479238324475 15.999 > 1 5 O 0.57825424022453 0.72002587577421 0.00479238324475 15.999 > 1 6 O 0.91158757355786 0.72002587577421 0.00479238324475 15.999 > 1 7 O 0.24492090689119 0.22002587577421 0.50479238324475 15.999 > 1 8 O 0.57825424022453 0.22002587577421 0.50479238324475 15.999 > 1 9 O 0.91158757355786 0.22002587577421 0.50479238324475 15.999 > 1 10 O 0.24492090689119 0.72002587577421 0.50479238324475 15.999 > 1 11 O 0.57825424022453 0.72002587577421 0.50479238324475 15.999 > 1 12 O 0.91158757355786 0.72002587577421 0.50479238324475 15.999 > 1 13 O 0.08841242644214 0.22002587577421 0.24520761675525 15.999 > 2 14 O 0.42174575977547 0.22002587577421 0.24520761675525 15.999 > 2 15 O 0.75507909310881 0.22002587577421 0.24520761675525 15.999 > 2 16 O 0.08841242644214 0.72002587577421 0.24520761675525 15.999 > 2 17 O 0.42174575977547 0.72002587577421 0.24520761675525 15.999 > 2 18 O 0.75507909310881 0.72002587577421 0.24520761675525 15.999 > 2 19 O 0.08841242644214 0.22002587577421 0.74520761675525 15.999 > 2 20 O 0.42174575977547 0.22002587577421 0.74520761675525 15.999 > 2 21 O 0.75507909310881 0.22002587577421 0.74520761675525 15.999 > 2 22 O 0.08841242644214 0.72002587577421 0.74520761675525 15.999 > 2 23 O 0.42174575977547 0.72002587577421 0.74520761675525 15.999 > 2 24 O 0.75507909310881 0.72002587577421 0.74520761675525 15.999 > 2 25 O 0.08841242644214 0.27997412422579 0.49520761675525 15.999 > 3 26 O 0.42174575977547 0.27997412422579 0.49520761675525 15.999 > 3 27 O 0.75507909310881 0.27997412422579 0.49520761675525 15.999 > 3 28 O 0.08841242644214 0.77997412422579 0.49520761675525 15.999 > 3 29 O 0.42174575977547 0.77997412422579 0.49520761675525 15.999 > 3 30 O 0.75507909310881 0.77997412422579 0.49520761675525 15.999 > 3 31 O 0.08841242644214 0.27997412422579 0.99520761675525 15.999 > 3 32 O 0.42174575977547 0.27997412422579 0.99520761675525 15.999 > 3 33 O 0.75507909310881 0.27997412422579 0.99520761675525 15.999 > 3 34 O 0.08841242644214 0.77997412422579 0.99520761675525 15.999 > 3 35 O 0.42174575977547 0.77997412422579 0.99520761675525 15.999 > 3 36 O 0.75507909310881 0.77997412422579 0.99520761675525 15.999 > 3 37 O 0.24492090689119 0.27997412422579 0.25479238324475 15.999 > 4 38 O 0.57825424022453 0.27997412422579 0.25479238324475 15.999 > 4 39 O 0.91158757355786 0.27997412422579 0.25479238324475 15.999 > 4 40 O 0.24492090689119 0.77997412422579 0.25479238324475 15.999 > 4 41 O 0.57825424022453 0.77997412422579 0.25479238324475 15.999 > 4 42 O 0.91158757355786 0.77997412422579 0.25479238324475 15.999 > 4 43 O 0.24492090689119 0.27997412422579 0.75479238324475 15.999 > 4 44 O 0.57825424022453 0.27997412422579 0.75479238324475 15.999 > 4 45 O 0.91158757355786 0.27997412422579 0.75479238324475 15.999 > 4 46 O 0.24492090689119 0.77997412422579 0.75479238324475 15.999 > 4 47 O 0.57825424022453 0.77997412422579 0.75479238324475 15.999 > 4 48 O 0.91158757355786 0.77997412422579 0.75479238324475 15.999 > 4 *49 O 0.08299844293137 0.46102118213608 0.29871421974657 15.999 > 5 50 O 0.41633177626470 0.46102118213608 0.29871421974657 15.999 > 5 51 O 0.74966510959804 0.46102118213608 0.29871421974657 15.999 > 5 52 O 0.08299844293137 0.96102118213608 0.29871421974657 15.999 > 5 53 O 0.41633177626470 0.96102118213608 0.29871421974657 15.999 > 5 54 O 0.74966510959804 0.96102118213608 0.29871421974657 15.999 > 5 55 O 0.08299844293137 0.46102118213608 0.79871421974657 15.999 > 5 56 O 0.41633177626470 0.46102118213608 0.79871421974657 15.999 > 5 57 O 0.74966510959804 0.46102118213608 0.79871421974657 15.999 > 5 58 O 0.08299844293137 0.96102118213608 0.79871421974657 15.999 > 5 59 O 0.41633177626470 0.96102118213608 0.79871421974657 15.999 > 5 60 O 0.74966510959804 0.96102118213608 0.79871421974657 15.999 > 5 61 O 0.25033489040196 0.46102118213608 0.45128578025343 15.999 > 6 62 O 0.58366822373530 0.46102118213608 0.45128578025343 15.999 > 6 63 O 0.91700155706863 0.46102118213608 0.45128578025343 15.999 > 6 64 O 0.25033489040196 0.96102118213608 0.45128578025343 15.999 > 6 65 O 0.58366822373530 0.96102118213608 0.45128578025343 15.999 > 6 66 O 0.91700155706863 0.96102118213608 0.45128578025343 15.999 > 6 67 O 0.25033489040196 0.46102118213608 0.95128578025343 15.999 > 6 68 O 0.58366822373530 0.46102118213608 0.95128578025343 15.999 > 6 69 O 0.91700155706863 0.46102118213608 0.95128578025343 15.999 > 6 70 O 0.25033489040196 0.96102118213608 0.95128578025343 15.999 > 6 71 O 0.58366822373530 0.96102118213608 0.95128578025343 15.999 > 6 72 O 0.91700155706863 0.96102118213608 0.95128578025343 15.999 > 6 73 O 0.25033489040196 0.03897881786392 0.20128578025343 15.999 > 7 74 O 0.58366822373530 0.03897881786392 0.20128578025343 15.999 > 7 75 O 0.91700155706863 0.03897881786392 0.20128578025343 15.999 > 7 76 O 0.25033489040196 0.53897881786392 0.20128578025343 15.999 > 7 77 O 0.58366822373530 0.53897881786392 0.20128578025343 15.999 > 7 78 O 0.91700155706863 0.53897881786392 0.20128578025343 15.999 > 7 79 O 0.25033489040196 0.03897881786392 0.70128578025343 15.999 > 7 80 O 0.58366822373530 0.03897881786392 0.70128578025343 15.999 > 7 81 O 0.91700155706863 0.03897881786392 0.70128578025343 15.999 > 7 82 O 0.25033489040196 0.53897881786392 0.70128578025343 15.999 > 7 83 O 0.58366822373530 0.53897881786392 0.70128578025343 15.999 > 7 84 O 0.91700155706863 0.53897881786392 0.70128578025343 15.999 > 7 85 O 0.08299844293137 0.03897881786392 0.04871421974657 15.999 > 8 86 O 0.41633177626470 0.03897881786392 0.04871421974657 15.999 > 8 87 O 0.74966510959804 0.03897881786392 0.04871421974657 15.999 > 8 88 O 0.08299844293137 0.53897881786392 0.04871421974657 15.999 > 8 89 O 0.41633177626470 0.53897881786392 0.04871421974657 15.999 > 8 90 O 0.74966510959804 0.53897881786392 0.04871421974657 15.999 > 8 91 O 0.08299844293137 0.03897881786392 0.54871421974657 15.999 > 8 92 O 0.41633177626470 0.03897881786392 0.54871421974657 15.999 > 8 93 O 0.74966510959804 0.03897881786392 0.54871421974657 15.999 > 8 94 O 0.08299844293137 0.53897881786392 0.54871421974657 15.999 > 8 95 O 0.41633177626470 0.53897881786392 0.54871421974657 15.999 > 8 96 O 0.74966510959804 0.53897881786392 0.54871421974657 15.999 > 8 *97 Ho 0.00000000000000 0.11741681714931 0.37500000000000 164.930 > 9 98 Ho 0.33333333333333 0.11741681714931 0.37500000000000 164.930 > 9 99 Ho 0.66666666666667 0.11741681714931 0.37500000000000 164.930 > 9 100 Ho 0.00000000000000 0.61741681714931 0.37500000000000 164.930 > 9 101 Ho 0.33333333333333 0.61741681714931 0.37500000000000 164.930 > 9 102 Ho 0.66666666666667 0.61741681714931 0.37500000000000 164.930 > 9 103 Ho 0.00000000000000 0.11741681714931 0.87500000000000 164.930 > 9 104 Ho 0.33333333333333 0.11741681714931 0.87500000000000 164.930 > 9 105 Ho 0.66666666666667 0.11741681714931 0.87500000000000 164.930 > 9 106 Ho 0.00000000000000 0.61741681714931 0.87500000000000 164.930 > 9 107 Ho 0.33333333333333 0.61741681714931 0.87500000000000 164.930 > 9 108 Ho 0.66666666666667 0.61741681714931 0.87500000000000 164.930 > 9 109 Ho 0.00000000000000 0.38258318285069 0.12500000000000 164.930 > 10 110 Ho 0.33333333333333 0.38258318285069 0.12500000000000 164.930 > 10 111 Ho 0.66666666666667 0.38258318285069 0.12500000000000 164.930 > 10 112 Ho 0.00000000000000 0.88258318285069 0.12500000000000 164.930 > 10 113 Ho 0.33333333333333 0.88258318285069 0.12500000000000 164.930 > 10 114 Ho 0.66666666666667 0.88258318285069 0.12500000000000 164.930 > 10 115 Ho 0.00000000000000 0.38258318285069 0.62500000000000 164.930 > 10 116 Ho 0.33333333333333 0.38258318285069 0.62500000000000 164.930 > 10 117 Ho 0.66666666666667 0.38258318285069 0.62500000000000 164.930 > 10 118 Ho 0.00000000000000 0.88258318285069 0.62500000000000 164.930 > 10 119 Ho 0.33333333333333 0.88258318285069 0.62500000000000 164.930 > 10 120 Ho 0.66666666666667 0.88258318285069 0.62500000000000 164.930 > 10 *121 Ta 0.16666666666667 0.15184992163943 0.12500000000000 180.948 > 11 122 Ta 0.50000000000000 0.15184992163943 0.12500000000000 180.948 > 11 123 Ta 0.83333333333333 0.15184992163943 0.12500000000000 180.948 > 11 124 Ta 0.16666666666667 0.65184992163943 0.12500000000000 180.948 > 11 125 Ta 0.50000000000000 0.65184992163943 0.12500000000000 180.948 > 11 126 Ta 0.83333333333333 0.65184992163943 0.12500000000000 180.948 > 11 127 Ta 0.16666666666667 0.15184992163943 0.62500000000000 180.948 > 11 128 Ta 0.50000000000000 0.15184992163943 0.62500000000000 180.948 > 11 129 Ta 0.83333333333333 0.15184992163943 0.62500000000000 180.948 > 11 130 Ta 0.16666666666667 0.65184992163943 0.62500000000000 180.948 > 11 131 Ta 0.50000000000000 0.65184992163943 0.62500000000000 180.948 > 11 132 Ta 0.83333333333333 0.65184992163943 0.62500000000000 180.948 > 11 133 Ta 0.16666666666667 0.34815007836057 0.37500000000000 180.948 > 12 134 Ta 0.50000000000000 0.34815007836057 0.37500000000000 180.948 > 12 135 Ta 0.83333333333333 0.34815007836057 0.37500000000000 180.948 > 12 136 Ta 0.16666666666667 0.84815007836057 0.37500000000000 180.948 > 12 137 Ta 0.50000000000000 0.84815007836057 0.37500000000000 180.948 > 12 138 Ta 0.83333333333333 0.84815007836057 0.37500000000000 180.948 > 12 139 Ta 0.16666666666667 0.34815007836057 0.87500000000000 180.948 > 12 140 Ta 0.50000000000000 0.34815007836057 0.87500000000000 180.948 > 12 141 Ta 0.83333333333333 0.34815007836057 0.87500000000000 180.948 > 12 142 Ta 0.16666666666667 0.84815007836057 0.87500000000000 180.948 > 12 143 Ta 0.50000000000000 0.84815007836057 0.87500000000000 180.948 > 12 144 Ta 0.83333333333333 0.84815007836057 0.87500000000000 180.948 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8885269 0.0000000 0.1983187 0.0000000 4.6733081 0.0000000 0.1983177 0.0000000 4.6748439 -------------------------- Born effective charges -------------------------- 1 O -2.5320830 -0.1110380 0.5364562 -0.0183470 -2.1281735 0.5214098 0.5595161 0.5001073 -2.5650301 2 O -2.5320830 0.1110380 0.5364562 0.0183470 -2.1281735 -0.5214098 0.5595161 -0.5001073 -2.5650301 3 O -2.5320830 -0.1110380 0.5364562 -0.0183470 -2.1281735 0.5214098 0.5595161 0.5001073 -2.5650301 4 O -2.5320830 0.1110380 0.5364562 0.0183470 -2.1281735 -0.5214098 0.5595161 -0.5001073 -2.5650301 5 O -2.5793366 1.0620973 -0.8169330 1.1427225 -2.6151918 0.2936243 -0.8981155 0.2781965 -2.1582162 6 O -2.5793366 -1.0620973 -0.8169330 -1.1427225 -2.6151918 -0.2936243 -0.8981155 -0.2781965 -2.1582162 7 O -2.5793366 1.0620973 -0.8169330 1.1427225 -2.6151918 0.2936243 -0.8981155 0.2781965 -2.1582162 8 O -2.5793366 -1.0620973 -0.8169330 -1.1427225 -2.6151918 -0.2936243 -0.8981155 -0.2781965 -2.1582162 9 Ho 4.7068053 0.0000000 0.1594123 0.0000000 3.8886648 0.0000000 0.1898492 0.0000000 4.0751767 10 Ho 4.7068053 0.0000000 0.1594123 0.0000000 3.8886648 0.0000000 0.1898492 0.0000000 4.0751767 11 Ta 5.5160339 0.0000000 0.4015415 0.0000000 5.5980659 0.0000000 0.4873495 0.0000000 5.3713159 12 Ta 5.5160339 0.0000000 0.4015415 0.0000000 5.5980659 0.0000000 0.4873495 0.0000000 5.3713159 ---------------------------------------------------------------------------- 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: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 0.997 Solver_block: 200 / 400 - Time: 0.872 Solver_block: 300 / 400 - Time: 0.892 Solver_block: 400 / 400 - Time: 0.893 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.934 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:06:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:06:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.087142630168053 0.000000000000000 0.000000000000000 b 0.000000000000000 5.390412250000000 0.000000000000000 c -0.612102923165635 0.000000000000000 5.233157105550552 Atomic positions (fractional): 1 O 0.73476272067358 0.44005175154841 0.00958476648951 15.999 2 O 0.26523727932642 0.44005175154841 0.49041523351049 15.999 3 O 0.26523727932642 0.55994824845159 0.99041523351049 15.999 4 O 0.73476272067358 0.55994824845159 0.50958476648951 15.999 5 O 0.24899532879411 0.92204236427216 0.59742843949315 15.999 6 O 0.75100467120589 0.92204236427216 0.90257156050685 15.999 7 O 0.75100467120589 0.07795763572784 0.40257156050685 15.999 8 O 0.24899532879411 0.07795763572784 0.09742843949315 15.999 9 Ho 0.00000000000000 0.23483363429862 0.75000000000000 164.930 10 Ho 0.00000000000000 0.76516636570138 0.25000000000000 164.930 11 Ta 0.50000000000000 0.30369984327885 0.25000000000000 180.948 12 Ta 0.50000000000000 0.69630015672115 0.75000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.261427890504159 0.000000000000000 0.000000000000000 b 0.000000000000000 10.780824500000000 0.000000000000000 c -1.224205846331270 0.000000000000000 10.466314211101103 Atomic positions (fractional): 1 O 0.24492090689119 0.22002587577421 0.00479238324475 15.999 > 1 2 O 0.57825424022453 0.22002587577421 0.00479238324475 15.999 > 1 3 O 0.91158757355786 0.22002587577421 0.00479238324475 15.999 > 1 4 O 0.24492090689119 0.72002587577421 0.00479238324475 15.999 > 1 5 O 0.57825424022453 0.72002587577421 0.00479238324475 15.999 > 1 6 O 0.91158757355786 0.72002587577421 0.00479238324475 15.999 > 1 7 O 0.24492090689119 0.22002587577421 0.50479238324475 15.999 > 1 8 O 0.57825424022453 0.22002587577421 0.50479238324475 15.999 > 1 9 O 0.91158757355786 0.22002587577421 0.50479238324475 15.999 > 1 10 O 0.24492090689119 0.72002587577421 0.50479238324475 15.999 > 1 11 O 0.57825424022453 0.72002587577421 0.50479238324475 15.999 > 1 12 O 0.91158757355786 0.72002587577421 0.50479238324475 15.999 > 1 13 O 0.08841242644214 0.22002587577421 0.24520761675525 15.999 > 13 14 O 0.42174575977547 0.22002587577421 0.24520761675525 15.999 > 13 15 O 0.75507909310881 0.22002587577421 0.24520761675525 15.999 > 13 16 O 0.08841242644214 0.72002587577421 0.24520761675525 15.999 > 13 17 O 0.42174575977547 0.72002587577421 0.24520761675525 15.999 > 13 18 O 0.75507909310881 0.72002587577421 0.24520761675525 15.999 > 13 19 O 0.08841242644214 0.22002587577421 0.74520761675525 15.999 > 13 20 O 0.42174575977547 0.22002587577421 0.74520761675525 15.999 > 13 21 O 0.75507909310881 0.22002587577421 0.74520761675525 15.999 > 13 22 O 0.08841242644214 0.72002587577421 0.74520761675525 15.999 > 13 23 O 0.42174575977547 0.72002587577421 0.74520761675525 15.999 > 13 24 O 0.75507909310881 0.72002587577421 0.74520761675525 15.999 > 13 25 O 0.08841242644214 0.27997412422579 0.49520761675525 15.999 > 25 26 O 0.42174575977547 0.27997412422579 0.49520761675525 15.999 > 25 27 O 0.75507909310881 0.27997412422579 0.49520761675525 15.999 > 25 28 O 0.08841242644214 0.77997412422579 0.49520761675525 15.999 > 25 29 O 0.42174575977547 0.77997412422579 0.49520761675525 15.999 > 25 30 O 0.75507909310881 0.77997412422579 0.49520761675525 15.999 > 25 31 O 0.08841242644214 0.27997412422579 0.99520761675525 15.999 > 25 32 O 0.42174575977547 0.27997412422579 0.99520761675525 15.999 > 25 33 O 0.75507909310881 0.27997412422579 0.99520761675525 15.999 > 25 34 O 0.08841242644214 0.77997412422579 0.99520761675525 15.999 > 25 35 O 0.42174575977547 0.77997412422579 0.99520761675525 15.999 > 25 36 O 0.75507909310881 0.77997412422579 0.99520761675525 15.999 > 25 37 O 0.24492090689119 0.27997412422579 0.25479238324475 15.999 > 37 38 O 0.57825424022453 0.27997412422579 0.25479238324475 15.999 > 37 39 O 0.91158757355786 0.27997412422579 0.25479238324475 15.999 > 37 40 O 0.24492090689119 0.77997412422579 0.25479238324475 15.999 > 37 41 O 0.57825424022453 0.77997412422579 0.25479238324475 15.999 > 37 42 O 0.91158757355786 0.77997412422579 0.25479238324475 15.999 > 37 43 O 0.24492090689119 0.27997412422579 0.75479238324475 15.999 > 37 44 O 0.57825424022453 0.27997412422579 0.75479238324475 15.999 > 37 45 O 0.91158757355786 0.27997412422579 0.75479238324475 15.999 > 37 46 O 0.24492090689119 0.77997412422579 0.75479238324475 15.999 > 37 47 O 0.57825424022453 0.77997412422579 0.75479238324475 15.999 > 37 48 O 0.91158757355786 0.77997412422579 0.75479238324475 15.999 > 37 49 O 0.08299844293137 0.46102118213608 0.29871421974657 15.999 > 49 50 O 0.41633177626470 0.46102118213608 0.29871421974657 15.999 > 49 51 O 0.74966510959804 0.46102118213608 0.29871421974657 15.999 > 49 52 O 0.08299844293137 0.96102118213608 0.29871421974657 15.999 > 49 53 O 0.41633177626470 0.96102118213608 0.29871421974657 15.999 > 49 54 O 0.74966510959804 0.96102118213608 0.29871421974657 15.999 > 49 55 O 0.08299844293137 0.46102118213608 0.79871421974657 15.999 > 49 56 O 0.41633177626470 0.46102118213608 0.79871421974657 15.999 > 49 57 O 0.74966510959804 0.46102118213608 0.79871421974657 15.999 > 49 58 O 0.08299844293137 0.96102118213608 0.79871421974657 15.999 > 49 59 O 0.41633177626470 0.96102118213608 0.79871421974657 15.999 > 49 60 O 0.74966510959804 0.96102118213608 0.79871421974657 15.999 > 49 61 O 0.25033489040196 0.46102118213608 0.45128578025343 15.999 > 61 62 O 0.58366822373530 0.46102118213608 0.45128578025343 15.999 > 61 63 O 0.91700155706863 0.46102118213608 0.45128578025343 15.999 > 61 64 O 0.25033489040196 0.96102118213608 0.45128578025343 15.999 > 61 65 O 0.58366822373530 0.96102118213608 0.45128578025343 15.999 > 61 66 O 0.91700155706863 0.96102118213608 0.45128578025343 15.999 > 61 67 O 0.25033489040196 0.46102118213608 0.95128578025343 15.999 > 61 68 O 0.58366822373530 0.46102118213608 0.95128578025343 15.999 > 61 69 O 0.91700155706863 0.46102118213608 0.95128578025343 15.999 > 61 70 O 0.25033489040196 0.96102118213608 0.95128578025343 15.999 > 61 71 O 0.58366822373530 0.96102118213608 0.95128578025343 15.999 > 61 72 O 0.91700155706863 0.96102118213608 0.95128578025343 15.999 > 61 73 O 0.25033489040196 0.03897881786392 0.20128578025343 15.999 > 73 74 O 0.58366822373530 0.03897881786392 0.20128578025343 15.999 > 73 75 O 0.91700155706863 0.03897881786392 0.20128578025343 15.999 > 73 76 O 0.25033489040196 0.53897881786392 0.20128578025343 15.999 > 73 77 O 0.58366822373530 0.53897881786392 0.20128578025343 15.999 > 73 78 O 0.91700155706863 0.53897881786392 0.20128578025343 15.999 > 73 79 O 0.25033489040196 0.03897881786392 0.70128578025343 15.999 > 73 80 O 0.58366822373530 0.03897881786392 0.70128578025343 15.999 > 73 81 O 0.91700155706863 0.03897881786392 0.70128578025343 15.999 > 73 82 O 0.25033489040196 0.53897881786392 0.70128578025343 15.999 > 73 83 O 0.58366822373530 0.53897881786392 0.70128578025343 15.999 > 73 84 O 0.91700155706863 0.53897881786392 0.70128578025343 15.999 > 73 85 O 0.08299844293137 0.03897881786392 0.04871421974657 15.999 > 85 86 O 0.41633177626470 0.03897881786392 0.04871421974657 15.999 > 85 87 O 0.74966510959804 0.03897881786392 0.04871421974657 15.999 > 85 88 O 0.08299844293137 0.53897881786392 0.04871421974657 15.999 > 85 89 O 0.41633177626470 0.53897881786392 0.04871421974657 15.999 > 85 90 O 0.74966510959804 0.53897881786392 0.04871421974657 15.999 > 85 91 O 0.08299844293137 0.03897881786392 0.54871421974657 15.999 > 85 92 O 0.41633177626470 0.03897881786392 0.54871421974657 15.999 > 85 93 O 0.74966510959804 0.03897881786392 0.54871421974657 15.999 > 85 94 O 0.08299844293137 0.53897881786392 0.54871421974657 15.999 > 85 95 O 0.41633177626470 0.53897881786392 0.54871421974657 15.999 > 85 96 O 0.74966510959804 0.53897881786392 0.54871421974657 15.999 > 85 97 Ho 0.00000000000000 0.11741681714931 0.37500000000000 164.930 > 97 98 Ho 0.33333333333333 0.11741681714931 0.37500000000000 164.930 > 97 99 Ho 0.66666666666667 0.11741681714931 0.37500000000000 164.930 > 97 100 Ho 0.00000000000000 0.61741681714931 0.37500000000000 164.930 > 97 101 Ho 0.33333333333333 0.61741681714931 0.37500000000000 164.930 > 97 102 Ho 0.66666666666667 0.61741681714931 0.37500000000000 164.930 > 97 103 Ho 0.00000000000000 0.11741681714931 0.87500000000000 164.930 > 97 104 Ho 0.33333333333333 0.11741681714931 0.87500000000000 164.930 > 97 105 Ho 0.66666666666667 0.11741681714931 0.87500000000000 164.930 > 97 106 Ho 0.00000000000000 0.61741681714931 0.87500000000000 164.930 > 97 107 Ho 0.33333333333333 0.61741681714931 0.87500000000000 164.930 > 97 108 Ho 0.66666666666667 0.61741681714931 0.87500000000000 164.930 > 97 109 Ho 0.00000000000000 0.38258318285069 0.12500000000000 164.930 > 109 110 Ho 0.33333333333333 0.38258318285069 0.12500000000000 164.930 > 109 111 Ho 0.66666666666667 0.38258318285069 0.12500000000000 164.930 > 109 112 Ho 0.00000000000000 0.88258318285069 0.12500000000000 164.930 > 109 113 Ho 0.33333333333333 0.88258318285069 0.12500000000000 164.930 > 109 114 Ho 0.66666666666667 0.88258318285069 0.12500000000000 164.930 > 109 115 Ho 0.00000000000000 0.38258318285069 0.62500000000000 164.930 > 109 116 Ho 0.33333333333333 0.38258318285069 0.62500000000000 164.930 > 109 117 Ho 0.66666666666667 0.38258318285069 0.62500000000000 164.930 > 109 118 Ho 0.00000000000000 0.88258318285069 0.62500000000000 164.930 > 109 119 Ho 0.33333333333333 0.88258318285069 0.62500000000000 164.930 > 109 120 Ho 0.66666666666667 0.88258318285069 0.62500000000000 164.930 > 109 121 Ta 0.16666666666667 0.15184992163943 0.12500000000000 180.948 > 121 122 Ta 0.50000000000000 0.15184992163943 0.12500000000000 180.948 > 121 123 Ta 0.83333333333333 0.15184992163943 0.12500000000000 180.948 > 121 124 Ta 0.16666666666667 0.65184992163943 0.12500000000000 180.948 > 121 125 Ta 0.50000000000000 0.65184992163943 0.12500000000000 180.948 > 121 126 Ta 0.83333333333333 0.65184992163943 0.12500000000000 180.948 > 121 127 Ta 0.16666666666667 0.15184992163943 0.62500000000000 180.948 > 121 128 Ta 0.50000000000000 0.15184992163943 0.62500000000000 180.948 > 121 129 Ta 0.83333333333333 0.15184992163943 0.62500000000000 180.948 > 121 130 Ta 0.16666666666667 0.65184992163943 0.62500000000000 180.948 > 121 131 Ta 0.50000000000000 0.65184992163943 0.62500000000000 180.948 > 121 132 Ta 0.83333333333333 0.65184992163943 0.62500000000000 180.948 > 121 133 Ta 0.16666666666667 0.34815007836057 0.37500000000000 180.948 > 133 134 Ta 0.50000000000000 0.34815007836057 0.37500000000000 180.948 > 133 135 Ta 0.83333333333333 0.34815007836057 0.37500000000000 180.948 > 133 136 Ta 0.16666666666667 0.84815007836057 0.37500000000000 180.948 > 133 137 Ta 0.50000000000000 0.84815007836057 0.37500000000000 180.948 > 133 138 Ta 0.83333333333333 0.84815007836057 0.37500000000000 180.948 > 133 139 Ta 0.16666666666667 0.34815007836057 0.87500000000000 180.948 > 133 140 Ta 0.50000000000000 0.34815007836057 0.87500000000000 180.948 > 133 141 Ta 0.83333333333333 0.34815007836057 0.87500000000000 180.948 > 133 142 Ta 0.16666666666667 0.84815007836057 0.87500000000000 180.948 > 133 143 Ta 0.50000000000000 0.84815007836057 0.87500000000000 180.948 > 133 144 Ta 0.83333333333333 0.84815007836057 0.87500000000000 180.948 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8885269 0.0000000 0.1983187 0.0000000 4.6733081 0.0000000 0.1983177 0.0000000 4.6748439 -------------------------- Born effective charges -------------------------- 1 O -2.5320830 -0.1110380 0.5364562 -0.0183470 -2.1281735 0.5214098 0.5595161 0.5001073 -2.5650301 2 O -2.5320830 0.1110380 0.5364562 0.0183470 -2.1281735 -0.5214098 0.5595161 -0.5001073 -2.5650301 3 O -2.5320830 -0.1110380 0.5364562 -0.0183470 -2.1281735 0.5214098 0.5595161 0.5001073 -2.5650301 4 O -2.5320830 0.1110380 0.5364562 0.0183470 -2.1281735 -0.5214098 0.5595161 -0.5001073 -2.5650301 5 O -2.5793366 1.0620973 -0.8169330 1.1427225 -2.6151918 0.2936243 -0.8981155 0.2781965 -2.1582162 6 O -2.5793366 -1.0620973 -0.8169330 -1.1427225 -2.6151918 -0.2936243 -0.8981155 -0.2781965 -2.1582162 7 O -2.5793366 1.0620973 -0.8169330 1.1427225 -2.6151918 0.2936243 -0.8981155 0.2781965 -2.1582162 8 O -2.5793366 -1.0620973 -0.8169330 -1.1427225 -2.6151918 -0.2936243 -0.8981155 -0.2781965 -2.1582162 9 Ho 4.7068053 0.0000000 0.1594123 0.0000000 3.8886648 0.0000000 0.1898492 0.0000000 4.0751767 10 Ho 4.7068053 0.0000000 0.1594123 0.0000000 3.8886648 0.0000000 0.1898492 0.0000000 4.0751767 11 Ta 5.5160339 0.0000000 0.4015415 0.0000000 5.5980659 0.0000000 0.4873495 0.0000000 5.3713159 12 Ta 5.5160339 0.0000000 0.4015415 0.0000000 5.5980659 0.0000000 0.4873495 0.0000000 5.3713159 ---------------------------------------------------------------------------- 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:07:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:07:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.087142630168053 0.000000000000000 0.000000000000000 b 0.000000000000000 5.390412250000000 0.000000000000000 c -0.612102923165635 0.000000000000000 5.233157105550552 Atomic positions (fractional): 1 O 0.73476272067358 0.44005175154841 0.00958476648951 15.999 2 O 0.26523727932642 0.44005175154841 0.49041523351049 15.999 3 O 0.26523727932642 0.55994824845159 0.99041523351049 15.999 4 O 0.73476272067358 0.55994824845159 0.50958476648951 15.999 5 O 0.24899532879411 0.92204236427216 0.59742843949315 15.999 6 O 0.75100467120589 0.92204236427216 0.90257156050685 15.999 7 O 0.75100467120589 0.07795763572784 0.40257156050685 15.999 8 O 0.24899532879411 0.07795763572784 0.09742843949315 15.999 9 Ho 0.00000000000000 0.23483363429862 0.75000000000000 164.930 10 Ho 0.00000000000000 0.76516636570138 0.25000000000000 164.930 11 Ta 0.50000000000000 0.30369984327885 0.25000000000000 180.948 12 Ta 0.50000000000000 0.69630015672115 0.75000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.261427890504159 0.000000000000000 0.000000000000000 b 0.000000000000000 10.780824500000000 0.000000000000000 c -1.224205846331270 0.000000000000000 10.466314211101103 Atomic positions (fractional): 1 O 0.24492090689119 0.22002587577421 0.00479238324475 15.999 > 1 2 O 0.57825424022453 0.22002587577421 0.00479238324475 15.999 > 1 3 O 0.91158757355786 0.22002587577421 0.00479238324475 15.999 > 1 4 O 0.24492090689119 0.72002587577421 0.00479238324475 15.999 > 1 5 O 0.57825424022453 0.72002587577421 0.00479238324475 15.999 > 1 6 O 0.91158757355786 0.72002587577421 0.00479238324475 15.999 > 1 7 O 0.24492090689119 0.22002587577421 0.50479238324475 15.999 > 1 8 O 0.57825424022453 0.22002587577421 0.50479238324475 15.999 > 1 9 O 0.91158757355786 0.22002587577421 0.50479238324475 15.999 > 1 10 O 0.24492090689119 0.72002587577421 0.50479238324475 15.999 > 1 11 O 0.57825424022453 0.72002587577421 0.50479238324475 15.999 > 1 12 O 0.91158757355786 0.72002587577421 0.50479238324475 15.999 > 1 13 O 0.08841242644214 0.22002587577421 0.24520761675525 15.999 > 13 14 O 0.42174575977547 0.22002587577421 0.24520761675525 15.999 > 13 15 O 0.75507909310881 0.22002587577421 0.24520761675525 15.999 > 13 16 O 0.08841242644214 0.72002587577421 0.24520761675525 15.999 > 13 17 O 0.42174575977547 0.72002587577421 0.24520761675525 15.999 > 13 18 O 0.75507909310881 0.72002587577421 0.24520761675525 15.999 > 13 19 O 0.08841242644214 0.22002587577421 0.74520761675525 15.999 > 13 20 O 0.42174575977547 0.22002587577421 0.74520761675525 15.999 > 13 21 O 0.75507909310881 0.22002587577421 0.74520761675525 15.999 > 13 22 O 0.08841242644214 0.72002587577421 0.74520761675525 15.999 > 13 23 O 0.42174575977547 0.72002587577421 0.74520761675525 15.999 > 13 24 O 0.75507909310881 0.72002587577421 0.74520761675525 15.999 > 13 25 O 0.08841242644214 0.27997412422579 0.49520761675525 15.999 > 25 26 O 0.42174575977547 0.27997412422579 0.49520761675525 15.999 > 25 27 O 0.75507909310881 0.27997412422579 0.49520761675525 15.999 > 25 28 O 0.08841242644214 0.77997412422579 0.49520761675525 15.999 > 25 29 O 0.42174575977547 0.77997412422579 0.49520761675525 15.999 > 25 30 O 0.75507909310881 0.77997412422579 0.49520761675525 15.999 > 25 31 O 0.08841242644214 0.27997412422579 0.99520761675525 15.999 > 25 32 O 0.42174575977547 0.27997412422579 0.99520761675525 15.999 > 25 33 O 0.75507909310881 0.27997412422579 0.99520761675525 15.999 > 25 34 O 0.08841242644214 0.77997412422579 0.99520761675525 15.999 > 25 35 O 0.42174575977547 0.77997412422579 0.99520761675525 15.999 > 25 36 O 0.75507909310881 0.77997412422579 0.99520761675525 15.999 > 25 37 O 0.24492090689119 0.27997412422579 0.25479238324475 15.999 > 37 38 O 0.57825424022453 0.27997412422579 0.25479238324475 15.999 > 37 39 O 0.91158757355786 0.27997412422579 0.25479238324475 15.999 > 37 40 O 0.24492090689119 0.77997412422579 0.25479238324475 15.999 > 37 41 O 0.57825424022453 0.77997412422579 0.25479238324475 15.999 > 37 42 O 0.91158757355786 0.77997412422579 0.25479238324475 15.999 > 37 43 O 0.24492090689119 0.27997412422579 0.75479238324475 15.999 > 37 44 O 0.57825424022453 0.27997412422579 0.75479238324475 15.999 > 37 45 O 0.91158757355786 0.27997412422579 0.75479238324475 15.999 > 37 46 O 0.24492090689119 0.77997412422579 0.75479238324475 15.999 > 37 47 O 0.57825424022453 0.77997412422579 0.75479238324475 15.999 > 37 48 O 0.91158757355786 0.77997412422579 0.75479238324475 15.999 > 37 49 O 0.08299844293137 0.46102118213608 0.29871421974657 15.999 > 49 50 O 0.41633177626470 0.46102118213608 0.29871421974657 15.999 > 49 51 O 0.74966510959804 0.46102118213608 0.29871421974657 15.999 > 49 52 O 0.08299844293137 0.96102118213608 0.29871421974657 15.999 > 49 53 O 0.41633177626470 0.96102118213608 0.29871421974657 15.999 > 49 54 O 0.74966510959804 0.96102118213608 0.29871421974657 15.999 > 49 55 O 0.08299844293137 0.46102118213608 0.79871421974657 15.999 > 49 56 O 0.41633177626470 0.46102118213608 0.79871421974657 15.999 > 49 57 O 0.74966510959804 0.46102118213608 0.79871421974657 15.999 > 49 58 O 0.08299844293137 0.96102118213608 0.79871421974657 15.999 > 49 59 O 0.41633177626470 0.96102118213608 0.79871421974657 15.999 > 49 60 O 0.74966510959804 0.96102118213608 0.79871421974657 15.999 > 49 61 O 0.25033489040196 0.46102118213608 0.45128578025343 15.999 > 61 62 O 0.58366822373530 0.46102118213608 0.45128578025343 15.999 > 61 63 O 0.91700155706863 0.46102118213608 0.45128578025343 15.999 > 61 64 O 0.25033489040196 0.96102118213608 0.45128578025343 15.999 > 61 65 O 0.58366822373530 0.96102118213608 0.45128578025343 15.999 > 61 66 O 0.91700155706863 0.96102118213608 0.45128578025343 15.999 > 61 67 O 0.25033489040196 0.46102118213608 0.95128578025343 15.999 > 61 68 O 0.58366822373530 0.46102118213608 0.95128578025343 15.999 > 61 69 O 0.91700155706863 0.46102118213608 0.95128578025343 15.999 > 61 70 O 0.25033489040196 0.96102118213608 0.95128578025343 15.999 > 61 71 O 0.58366822373530 0.96102118213608 0.95128578025343 15.999 > 61 72 O 0.91700155706863 0.96102118213608 0.95128578025343 15.999 > 61 73 O 0.25033489040196 0.03897881786392 0.20128578025343 15.999 > 73 74 O 0.58366822373530 0.03897881786392 0.20128578025343 15.999 > 73 75 O 0.91700155706863 0.03897881786392 0.20128578025343 15.999 > 73 76 O 0.25033489040196 0.53897881786392 0.20128578025343 15.999 > 73 77 O 0.58366822373530 0.53897881786392 0.20128578025343 15.999 > 73 78 O 0.91700155706863 0.53897881786392 0.20128578025343 15.999 > 73 79 O 0.25033489040196 0.03897881786392 0.70128578025343 15.999 > 73 80 O 0.58366822373530 0.03897881786392 0.70128578025343 15.999 > 73 81 O 0.91700155706863 0.03897881786392 0.70128578025343 15.999 > 73 82 O 0.25033489040196 0.53897881786392 0.70128578025343 15.999 > 73 83 O 0.58366822373530 0.53897881786392 0.70128578025343 15.999 > 73 84 O 0.91700155706863 0.53897881786392 0.70128578025343 15.999 > 73 85 O 0.08299844293137 0.03897881786392 0.04871421974657 15.999 > 85 86 O 0.41633177626470 0.03897881786392 0.04871421974657 15.999 > 85 87 O 0.74966510959804 0.03897881786392 0.04871421974657 15.999 > 85 88 O 0.08299844293137 0.53897881786392 0.04871421974657 15.999 > 85 89 O 0.41633177626470 0.53897881786392 0.04871421974657 15.999 > 85 90 O 0.74966510959804 0.53897881786392 0.04871421974657 15.999 > 85 91 O 0.08299844293137 0.03897881786392 0.54871421974657 15.999 > 85 92 O 0.41633177626470 0.03897881786392 0.54871421974657 15.999 > 85 93 O 0.74966510959804 0.03897881786392 0.54871421974657 15.999 > 85 94 O 0.08299844293137 0.53897881786392 0.54871421974657 15.999 > 85 95 O 0.41633177626470 0.53897881786392 0.54871421974657 15.999 > 85 96 O 0.74966510959804 0.53897881786392 0.54871421974657 15.999 > 85 97 Ho 0.00000000000000 0.11741681714931 0.37500000000000 164.930 > 97 98 Ho 0.33333333333333 0.11741681714931 0.37500000000000 164.930 > 97 99 Ho 0.66666666666667 0.11741681714931 0.37500000000000 164.930 > 97 100 Ho 0.00000000000000 0.61741681714931 0.37500000000000 164.930 > 97 101 Ho 0.33333333333333 0.61741681714931 0.37500000000000 164.930 > 97 102 Ho 0.66666666666667 0.61741681714931 0.37500000000000 164.930 > 97 103 Ho 0.00000000000000 0.11741681714931 0.87500000000000 164.930 > 97 104 Ho 0.33333333333333 0.11741681714931 0.87500000000000 164.930 > 97 105 Ho 0.66666666666667 0.11741681714931 0.87500000000000 164.930 > 97 106 Ho 0.00000000000000 0.61741681714931 0.87500000000000 164.930 > 97 107 Ho 0.33333333333333 0.61741681714931 0.87500000000000 164.930 > 97 108 Ho 0.66666666666667 0.61741681714931 0.87500000000000 164.930 > 97 109 Ho 0.00000000000000 0.38258318285069 0.12500000000000 164.930 > 109 110 Ho 0.33333333333333 0.38258318285069 0.12500000000000 164.930 > 109 111 Ho 0.66666666666667 0.38258318285069 0.12500000000000 164.930 > 109 112 Ho 0.00000000000000 0.88258318285069 0.12500000000000 164.930 > 109 113 Ho 0.33333333333333 0.88258318285069 0.12500000000000 164.930 > 109 114 Ho 0.66666666666667 0.88258318285069 0.12500000000000 164.930 > 109 115 Ho 0.00000000000000 0.38258318285069 0.62500000000000 164.930 > 109 116 Ho 0.33333333333333 0.38258318285069 0.62500000000000 164.930 > 109 117 Ho 0.66666666666667 0.38258318285069 0.62500000000000 164.930 > 109 118 Ho 0.00000000000000 0.88258318285069 0.62500000000000 164.930 > 109 119 Ho 0.33333333333333 0.88258318285069 0.62500000000000 164.930 > 109 120 Ho 0.66666666666667 0.88258318285069 0.62500000000000 164.930 > 109 121 Ta 0.16666666666667 0.15184992163943 0.12500000000000 180.948 > 121 122 Ta 0.50000000000000 0.15184992163943 0.12500000000000 180.948 > 121 123 Ta 0.83333333333333 0.15184992163943 0.12500000000000 180.948 > 121 124 Ta 0.16666666666667 0.65184992163943 0.12500000000000 180.948 > 121 125 Ta 0.50000000000000 0.65184992163943 0.12500000000000 180.948 > 121 126 Ta 0.83333333333333 0.65184992163943 0.12500000000000 180.948 > 121 127 Ta 0.16666666666667 0.15184992163943 0.62500000000000 180.948 > 121 128 Ta 0.50000000000000 0.15184992163943 0.62500000000000 180.948 > 121 129 Ta 0.83333333333333 0.15184992163943 0.62500000000000 180.948 > 121 130 Ta 0.16666666666667 0.65184992163943 0.62500000000000 180.948 > 121 131 Ta 0.50000000000000 0.65184992163943 0.62500000000000 180.948 > 121 132 Ta 0.83333333333333 0.65184992163943 0.62500000000000 180.948 > 121 133 Ta 0.16666666666667 0.34815007836057 0.37500000000000 180.948 > 133 134 Ta 0.50000000000000 0.34815007836057 0.37500000000000 180.948 > 133 135 Ta 0.83333333333333 0.34815007836057 0.37500000000000 180.948 > 133 136 Ta 0.16666666666667 0.84815007836057 0.37500000000000 180.948 > 133 137 Ta 0.50000000000000 0.84815007836057 0.37500000000000 180.948 > 133 138 Ta 0.83333333333333 0.84815007836057 0.37500000000000 180.948 > 133 139 Ta 0.16666666666667 0.34815007836057 0.87500000000000 180.948 > 133 140 Ta 0.50000000000000 0.34815007836057 0.87500000000000 180.948 > 133 141 Ta 0.83333333333333 0.34815007836057 0.87500000000000 180.948 > 133 142 Ta 0.16666666666667 0.84815007836057 0.87500000000000 180.948 > 133 143 Ta 0.50000000000000 0.84815007836057 0.87500000000000 180.948 > 133 144 Ta 0.83333333333333 0.84815007836057 0.87500000000000 180.948 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8885269 0.0000000 0.1983187 0.0000000 4.6733081 0.0000000 0.1983177 0.0000000 4.6748439 -------------------------- Born effective charges -------------------------- 1 O -2.5320830 -0.1110380 0.5364562 -0.0183470 -2.1281735 0.5214098 0.5595161 0.5001073 -2.5650301 2 O -2.5320830 0.1110380 0.5364562 0.0183470 -2.1281735 -0.5214098 0.5595161 -0.5001073 -2.5650301 3 O -2.5320830 -0.1110380 0.5364562 -0.0183470 -2.1281735 0.5214098 0.5595161 0.5001073 -2.5650301 4 O -2.5320830 0.1110380 0.5364562 0.0183470 -2.1281735 -0.5214098 0.5595161 -0.5001073 -2.5650301 5 O -2.5793366 1.0620973 -0.8169330 1.1427225 -2.6151918 0.2936243 -0.8981155 0.2781965 -2.1582162 6 O -2.5793366 -1.0620973 -0.8169330 -1.1427225 -2.6151918 -0.2936243 -0.8981155 -0.2781965 -2.1582162 7 O -2.5793366 1.0620973 -0.8169330 1.1427225 -2.6151918 0.2936243 -0.8981155 0.2781965 -2.1582162 8 O -2.5793366 -1.0620973 -0.8169330 -1.1427225 -2.6151918 -0.2936243 -0.8981155 -0.2781965 -2.1582162 9 Ho 4.7068053 0.0000000 0.1594123 0.0000000 3.8886648 0.0000000 0.1898492 0.0000000 4.0751767 10 Ho 4.7068053 0.0000000 0.1594123 0.0000000 3.8886648 0.0000000 0.1898492 0.0000000 4.0751767 11 Ta 5.5160339 0.0000000 0.4015415 0.0000000 5.5980659 0.0000000 0.4873495 0.0000000 5.3713159 12 Ta 5.5160339 0.0000000 0.4015415 0.0000000 5.5980659 0.0000000 0.4873495 0.0000000 5.3713159 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 9 10 ] 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: 0.79, Number of G-points: 295, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/260) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 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 3.260 ( 0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 0.000) 0.000 4.145 ( 0.000 0.000 0.000) 0.000 4.196 ( 0.000 0.000 0.000) 0.000 4.365 ( 0.000 0.000 0.000) 0.000 4.665 ( 0.000 0.000 0.000) 0.000 5.319 ( 0.000 0.000 0.000) 0.000 5.348 ( 0.000 0.000 0.000) 0.000 5.711 ( 0.000 0.000 0.000) 0.000 6.694 ( 0.000 0.000 0.000) 0.000 7.791 ( 0.000 0.000 0.000) 0.000 7.862 ( 0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.306 ( 0.000 0.000 0.000) 0.000 9.259 ( 0.000 0.000 0.000) 0.000 9.477 ( 0.000 0.000 0.000) 0.000 10.434 ( 0.000 0.000 0.000) 0.000 11.365 ( 0.000 0.000 0.000) 0.000 12.184 ( 0.000 0.000 0.000) 0.000 12.272 ( 0.000 0.000 0.000) 0.000 12.690 ( 0.000 0.000 0.000) 0.000 14.902 ( 0.000 0.000 0.000) 0.000 14.978 ( 0.000 0.000 0.000) 0.000 16.113 ( 0.000 0.000 0.000) 0.000 16.154 ( 0.000 0.000 0.000) 0.000 18.441 ( 0.000 0.000 0.000) 0.000 19.684 ( 0.000 0.000 0.000) 0.000 19.747 ( 0.000 0.000 0.000) 0.000 19.845 ( 0.000 0.000 0.000) 0.000 20.905 ( 0.000 0.000 0.000) 0.000 23.586 ( 0.000 0.000 0.000) 0.000 24.159 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/260) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 26.068 0.000 12.810) 29.045 0.561 ( 28.206 0.000 0.689) 28.214 1.165 ( 56.664 0.000 15.133) 58.650 3.304 ( 3.211 0.000 7.617) 8.266 3.361 ( -0.352 0.000 -1.431) 1.474 3.709 ( 2.183 0.000 2.603) 3.397 4.059 ( -7.891 0.000 1.345) 8.005 4.215 ( 0.637 0.000 0.912) 1.112 4.390 ( 3.038 0.000 -10.118) 10.564 4.858 ( 2.096 0.000 6.227) 6.570 5.329 ( 0.715 0.000 2.954) 3.039 5.345 ( -0.604 0.000 3.201) 3.257 6.684 ( -0.655 0.000 -2.616) 2.697 7.170 ( 2.659 0.000 -52.008) 52.076 7.816 ( 1.842 0.000 0.438) 1.893 7.844 ( -2.632 0.000 -4.097) 4.870 8.225 ( -7.531 0.000 -3.409) 8.267 8.290 ( -0.774 0.000 -2.428) 2.549 9.485 ( 1.238 0.000 5.128) 5.276 10.507 ( 6.892 0.000 -3.648) 7.798 11.030 ( -20.314 0.000 181.098) 182.234 11.374 ( 1.146 0.000 -0.953) 1.490 12.160 ( -5.884 0.000 6.597) 8.840 12.419 ( 11.840 0.000 -41.274) 42.939 12.774 ( 8.229 0.000 1.206) 8.317 14.882 ( -1.990 0.000 -0.411) 2.032 14.988 ( 0.931 0.000 0.357) 0.997 16.100 ( -5.417 0.000 -0.624) 5.452 17.124 ( 18.005 0.000 -100.598) 102.197 18.465 ( 1.604 0.000 7.408) 7.580 19.621 ( -6.568 0.000 0.483) 6.586 19.792 ( -5.319 0.000 0.149) 5.321 20.777 ( -11.331 0.000 -7.436) 13.553 23.671 ( 7.830 0.000 1.838) 8.043 23.981 ( -10.427 0.000 32.394) 34.031 24.249 ( 3.979 0.000 15.597) 16.096 ======================= Grid point 2 (3/260) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 24.111 0.000 11.697) 26.798 1.107 ( 27.115 0.000 0.650) 27.123 2.278 ( 52.486 0.000 14.304) 54.400 3.321 ( -3.536 0.000 -3.992) 5.333 3.402 ( 3.993 0.000 11.742) 12.402 3.723 ( -6.054 0.000 6.043) 8.554 3.909 ( -3.164 0.000 -1.508) 3.505 4.252 ( 3.550 0.000 -1.088) 3.713 4.429 ( 3.983 0.000 -13.358) 13.939 4.922 ( 3.144 0.000 -1.387) 3.437 5.343 ( -0.677 0.000 6.940) 6.973 5.362 ( 1.822 0.000 3.655) 4.084 6.660 ( -0.857 0.000 -4.233) 4.319 7.069 ( -4.130 0.000 -22.932) 23.301 7.750 ( -5.973 0.000 -3.618) 6.983 7.831 ( -1.279 0.000 2.244) 2.583 8.015 ( -12.194 0.000 -4.547) 13.014 8.263 ( -1.120 0.000 -3.813) 3.974 9.589 ( 8.604 0.000 3.890) 9.442 10.643 ( 7.015 0.000 -4.631) 8.406 11.053 ( -7.865 0.000 79.483) 79.871 11.410 ( 2.784 0.000 -1.283) 3.065 12.084 ( -4.445 0.000 15.409) 16.037 12.555 ( 10.047 0.000 -27.040) 28.847 13.012 ( 15.317 0.000 2.722) 15.557 14.824 ( -3.654 0.000 -0.659) 3.713 15.007 ( 0.323 0.000 0.499) 0.595 15.945 ( -9.748 0.000 -0.972) 9.796 17.297 ( 16.374 0.000 -46.551) 49.347 18.541 ( 3.734 0.000 13.156) 13.675 19.422 ( -13.869 0.000 1.276) 13.927 19.645 ( -9.471 0.000 0.664) 9.494 20.480 ( -14.882 0.000 -13.471) 20.073 23.844 ( -8.634 0.000 13.526) 16.047 23.869 ( 10.950 0.000 2.551) 11.243 24.361 ( 4.446 0.000 8.950) 9.993 ======================= Grid point 3 (4/260) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 21.612 0.000 10.376) 23.974 1.625 ( 25.264 0.000 0.542) 25.270 3.099 ( 2.176 0.000 1.210) 2.490 3.363 ( 34.150 0.000 5.020) 34.517 3.446 ( -12.592 0.000 3.410) 13.045 3.527 ( -1.168 0.000 8.216) 8.299 3.934 ( 1.544 0.000 4.429) 4.690 4.355 ( 7.105 0.000 -1.775) 7.323 4.504 ( 6.964 0.000 -12.723) 14.504 4.949 ( -0.061 0.000 -5.176) 5.176 5.348 ( -1.238 0.000 10.351) 10.424 5.411 ( 2.197 0.000 2.579) 3.387 6.634 ( -0.732 0.000 -3.986) 4.052 6.910 ( -7.294 0.000 -14.842) 16.538 7.600 ( -8.034 0.000 -2.678) 8.468 7.747 ( -11.078 0.000 2.307) 11.315 7.785 ( -5.738 0.000 -2.561) 6.283 8.233 ( -0.950 0.000 -3.559) 3.684 9.819 ( 13.080 0.000 0.200) 13.081 10.743 ( 4.129 0.000 -3.604) 5.481 11.085 ( -3.027 0.000 40.995) 41.106 11.472 ( 3.543 0.000 -1.092) 3.708 12.049 ( -2.894 0.000 13.988) 14.284 12.690 ( 8.843 0.000 -17.366) 19.488 13.377 ( 20.665 0.000 4.147) 21.077 14.741 ( -4.401 0.000 -0.683) 4.453 14.965 ( -5.968 0.000 -0.594) 5.998 15.746 ( -9.029 0.000 -0.445) 9.040 17.534 ( 15.605 0.000 -26.261) 30.548 18.669 ( 5.631 0.000 15.596) 16.581 19.101 ( -18.003 0.000 1.358) 18.054 19.439 ( -11.162 0.000 1.508) 11.263 20.176 ( -11.984 0.000 -15.936) 19.939 23.712 ( -7.012 0.000 6.775) 9.750 24.084 ( 9.665 0.000 2.244) 9.922 24.460 ( 3.755 0.000 5.587) 6.732 ======================= Grid point 4 (5/260) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 17.663 0.000 8.446) 19.578 2.093 ( 21.742 0.000 0.396) 21.745 2.899 ( -12.517 0.000 -5.956) 13.862 3.102 ( -18.322 0.000 -0.367) 18.326 3.589 ( 2.175 0.000 6.508) 6.861 3.946 ( -0.873 0.000 2.913) 3.041 4.143 ( 33.750 0.000 9.920) 35.178 4.504 ( 7.885 0.000 -2.655) 8.320 4.627 ( 6.719 0.000 -6.988) 9.694 4.890 ( -4.448 0.000 -8.289) 9.407 5.313 ( -5.328 0.000 10.944) 12.172 5.451 ( 1.244 0.000 1.167) 1.705 6.615 ( -0.589 0.000 -1.145) 1.287 6.740 ( -6.038 0.000 -11.049) 12.592 7.449 ( -6.147 0.000 -1.071) 6.239 7.547 ( -7.632 0.000 -0.285) 7.637 7.693 ( -3.872 0.000 0.788) 3.951 8.212 ( -0.501 0.000 -2.041) 2.102 10.048 ( 9.089 0.000 -1.376) 9.192 10.797 ( 2.126 0.000 -1.596) 2.659 11.118 ( -0.726 0.000 18.123) 18.137 11.531 ( 2.331 0.000 -0.629) 2.414 12.029 ( -1.664 0.000 7.598) 7.778 12.810 ( 5.832 0.000 -8.145) 10.018 13.827 ( 23.611 0.000 4.761) 24.086 14.661 ( -3.264 0.000 -0.453) 3.295 14.729 ( -17.458 0.000 -2.859) 17.691 15.629 ( -2.869 0.000 0.418) 2.899 17.758 ( 10.790 0.000 -12.985) 16.883 18.781 ( -12.386 0.000 2.204) 12.580 18.815 ( 4.573 0.000 10.539) 11.488 19.241 ( -8.522 0.000 1.756) 8.701 19.950 ( -7.237 0.000 -12.137) 14.131 23.611 ( -4.067 0.000 2.836) 4.958 24.241 ( 5.548 0.000 1.288) 5.696 24.529 ( 2.165 0.000 2.813) 3.549 ======================= Grid point 5 (6/260) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -0.000 0.000 -0.000) 0.000 2.380 ( -0.000 0.000 -0.000) 0.000 2.719 ( 0.000 0.000 0.000) 0.000 2.848 ( 0.000 0.000 0.000) 0.000 3.620 ( 0.000 0.000 -0.000) 0.000 3.936 ( 0.000 0.000 0.000) 0.000 4.536 ( 0.000 0.000 -0.000) 0.000 4.692 ( 0.000 0.000 -0.000) 0.000 4.696 ( 0.000 0.000 -0.000) 0.000 4.718 ( 0.000 0.000 0.000) 0.000 5.239 ( 0.000 0.000 -0.000) 0.000 5.464 ( 0.000 0.000 -0.000) 0.000 6.609 ( 0.000 0.000 0.000) 0.000 6.660 ( 0.000 0.000 -0.000) 0.000 7.383 ( 0.000 0.000 -0.000) 0.000 7.469 ( 0.000 0.000 0.000) 0.000 7.653 ( 0.000 0.000 -0.000) 0.000 8.205 ( 0.000 0.000 -0.000) 0.000 10.139 ( 0.000 0.000 0.000) 0.000 10.817 ( 0.000 0.000 -0.000) 0.000 11.133 ( 0.000 0.000 -0.000) 0.000 11.554 ( 0.000 0.000 0.000) 0.000 12.020 ( 0.000 0.000 -0.000) 0.000 12.862 ( 0.000 0.000 0.000) 0.000 14.283 ( 0.000 0.000 0.000) 0.000 14.331 ( -0.000 0.000 -0.000) 0.000 14.626 ( 0.000 0.000 0.000) 0.000 15.607 ( 0.000 0.000 -0.000) 0.000 17.857 ( 0.000 0.000 0.000) 0.000 18.649 ( 0.000 0.000 0.000) 0.000 18.886 ( 0.000 0.000 -0.000) 0.000 19.151 ( 0.000 0.000 -0.000) 0.000 19.859 ( 0.000 0.000 0.000) 0.000 23.573 ( 0.000 0.000 -0.000) 0.000 24.298 ( 0.000 0.000 -0.000) 0.000 24.554 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/260) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 0.000 25.262 0.000) 25.262 0.590 ( 0.000 28.164 0.000) 28.164 0.972 ( 0.000 46.339 0.000) 46.339 3.219 ( 0.000 -3.985 0.000) 3.985 3.410 ( 0.000 4.356 0.000) 4.356 3.668 ( 0.000 -2.419 0.000) 2.419 4.171 ( 0.000 -0.772 0.000) 0.772 4.278 ( 0.000 -1.188 0.000) 1.188 4.426 ( 0.000 4.764 0.000) 4.764 4.658 ( 0.000 0.753 0.000) 0.753 5.373 ( 0.000 1.877 0.000) 1.877 5.448 ( 0.000 8.268 0.000) 8.268 5.755 ( 0.000 6.192 0.000) 6.192 6.793 ( 0.000 9.178 0.000) 9.178 7.892 ( 0.000 3.067 0.000) 3.067 8.254 ( 0.000 -3.891 0.000) 3.891 8.356 ( 0.000 4.682 0.000) 4.682 8.682 ( 0.000 -2.721 0.000) 2.721 9.304 ( 0.000 4.611 0.000) 4.611 9.577 ( 0.000 4.181 0.000) 4.181 10.417 ( 0.000 -1.789 0.000) 1.789 11.978 ( 0.000 -16.603 0.000) 16.603 12.297 ( 0.000 2.725 0.000) 2.725 12.822 ( 0.000 9.430 0.000) 9.430 13.951 ( 0.000 -3.866 0.000) 3.866 14.952 ( 0.000 -2.476 0.000) 2.476 14.975 ( 0.000 6.130 0.000) 6.130 16.092 ( 0.000 -1.943 0.000) 1.943 16.181 ( 0.000 -11.886 0.000) 11.886 19.638 ( 0.000 -2.929 0.000) 2.929 19.795 ( 0.000 3.179 0.000) 3.179 19.897 ( 0.000 4.781 0.000) 4.781 20.899 ( 0.000 -0.552 0.000) 0.552 21.206 ( 0.000 -5.173 0.000) 5.173 24.184 ( 0.000 2.363 0.000) 2.363 24.592 ( 0.000 -0.448 0.000) 0.448 ======================= Grid point 12 (8/260) ======================= q-point: ( 0.10 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 15.256 18.882 8.605) 25.755 0.856 ( 21.900 18.431 7.284) 29.536 1.487 ( 41.880 27.653 6.767) 50.640 3.264 ( 3.125 -3.822 7.322) 8.831 3.403 ( -0.642 3.812 -1.579) 4.176 3.702 ( 3.118 -2.061 0.564) 3.780 4.054 ( -9.802 -0.037 2.545) 10.127 4.258 ( 2.784 2.771 -5.308) 6.603 4.447 ( 0.565 5.493 -2.769) 6.177 4.784 ( 5.152 -4.411 3.817) 7.783 5.353 ( -1.703 1.950 0.143) 2.593 5.519 ( 1.943 13.393 5.314) 14.539 6.361 ( 35.668 -30.856 -10.941) 48.415 6.781 ( -0.955 8.861 -2.367) 9.221 7.862 ( -3.351 3.688 1.003) 5.083 8.132 ( -11.798 1.593 -4.029) 12.568 8.255 ( -9.004 5.534 1.583) 10.686 8.466 ( -1.136 11.022 -20.270) 23.101 9.529 ( -0.114 3.835 5.176) 6.443 9.965 ( 29.070 -25.742 53.420) 66.041 10.507 ( 8.598 -0.681 -3.165) 9.187 12.012 ( 1.840 -12.536 12.666) 17.916 12.240 ( -7.185 4.090 -0.774) 8.303 12.874 ( -0.131 11.701 12.499) 17.122 13.061 ( -40.748 41.016 4.508) 57.992 14.873 ( -3.959 -0.928 -3.623) 5.446 15.006 ( 2.029 2.192 3.144) 4.336 16.033 ( -6.809 -7.092 0.175) 9.833 16.673 ( 32.298 -24.242 -48.885) 63.408 18.927 ( -24.837 22.994 -16.468) 37.640 19.615 ( -7.869 0.342 0.480) 7.891 19.859 ( -4.486 5.873 -0.279) 7.396 20.768 ( -11.377 -0.812 -6.912) 13.337 22.511 ( 53.903 -51.562 33.476) 81.761 24.139 ( -4.549 3.090 0.294) 5.507 24.504 ( -5.522 6.912 7.391) 11.527 ======================= Grid point 13 (9/260) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 22.292 8.829 7.437) 25.104 1.324 ( 23.482 14.272 4.089) 27.782 2.401 ( 45.893 11.542 11.367) 48.668 3.322 ( -1.486 -1.025 1.162) 2.147 3.395 ( 1.632 0.429 6.910) 7.113 3.762 ( -2.146 2.645 4.117) 5.343 3.861 ( -5.706 -3.855 -1.512) 7.051 4.323 ( 4.818 5.295 -3.243) 7.859 4.451 ( 1.554 2.901 -8.015) 8.664 4.881 ( 4.463 -2.943 -0.868) 5.416 5.316 ( -1.983 1.465 1.524) 2.899 5.571 ( 1.932 13.683 7.011) 15.496 6.746 ( -1.126 5.904 -6.462) 8.825 6.760 ( 9.868 -19.697 -12.156) 25.162 7.756 ( -7.867 4.618 3.995) 9.959 7.917 ( -8.369 2.603 -1.653) 8.919 8.077 ( -8.976 6.382 -3.324) 11.504 8.428 ( -1.218 10.919 -10.001) 14.857 9.598 ( 7.212 0.666 3.805) 8.182 10.494 ( 14.592 -19.015 34.304) 41.849 10.701 ( 10.488 -1.578 3.409) 11.140 11.967 ( -17.393 18.847 8.048) 26.879 12.099 ( 2.047 -2.639 20.356) 20.628 12.600 ( -3.371 13.985 -12.550) 19.091 13.094 ( 12.667 6.220 -0.172) 14.113 14.782 ( -4.619 -3.404 -3.095) 6.520 15.047 ( 0.961 3.255 2.568) 4.256 15.852 ( -10.873 -9.120 -1.251) 14.247 17.110 ( 23.996 -13.827 -34.738) 44.426 18.690 ( -2.927 10.522 3.452) 11.454 19.393 ( -14.751 -1.368 2.021) 14.951 19.724 ( -9.345 6.507 0.404) 11.394 20.469 ( -15.132 -1.006 -13.065) 20.017 23.256 ( 21.361 -34.726 19.183) 45.057 24.046 ( -3.376 4.247 -0.408) 5.441 24.465 ( -0.748 5.287 5.861) 7.928 ======================= Grid point 14 (10/260) ======================= q-point: ( 0.30 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 22.606 5.278 7.663) 24.446 1.784 ( 22.494 11.641 1.329) 25.363 3.107 ( 2.624 0.703 1.064) 2.918 3.340 ( 11.909 -2.591 5.557) 13.395 3.467 ( 8.962 1.998 5.944) 10.938 3.578 ( -4.963 4.681 5.514) 8.772 3.899 ( 2.362 -2.349 2.406) 4.109 4.434 ( 7.264 5.439 -5.658) 10.694 4.498 ( 5.370 0.450 -5.463) 7.674 4.938 ( 1.359 -1.224 -4.461) 4.822 5.290 ( -1.231 0.305 3.659) 3.872 5.617 ( 0.721 12.711 6.449) 14.272 6.694 ( -2.454 4.456 -4.968) 7.110 6.804 ( -0.905 -8.331 -12.256) 14.847 7.595 ( -8.873 3.926 3.892) 10.455 7.769 ( -7.022 0.572 2.133) 7.361 7.906 ( -6.943 11.656 -5.892) 14.791 8.363 ( -3.143 8.802 -4.947) 10.574 9.818 ( 13.464 -0.279 0.132) 13.468 10.732 ( 6.216 -2.654 6.028) 9.057 10.915 ( 7.641 -6.477 20.858) 23.139 11.701 ( -10.063 13.386 0.376) 16.750 12.174 ( 0.128 9.311 21.444) 23.378 12.617 ( 6.377 -4.020 -17.654) 19.196 13.400 ( 17.858 1.715 3.198) 18.223 14.675 ( -5.720 -5.567 -2.337) 8.317 15.020 ( -5.340 4.458 0.790) 7.001 15.641 ( -8.801 -9.754 -0.641) 13.153 17.489 ( 21.306 -3.692 -23.978) 32.288 18.722 ( 2.902 4.342 12.179) 13.252 19.072 ( -17.175 -1.925 1.795) 17.375 19.502 ( -12.978 5.423 1.882) 14.190 20.159 ( -12.405 -1.628 -15.663) 20.047 23.530 ( 3.870 -16.678 11.660) 20.715 24.063 ( 5.962 -1.272 -1.140) 6.202 24.471 ( -0.369 0.758 4.133) 4.218 ======================= Grid point 15 (11/260) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 19.588 5.648 8.237) 21.987 2.206 ( 20.006 9.128 -1.446) 22.037 2.922 ( -12.429 2.128 -4.538) 13.402 3.114 ( -17.690 -0.065 0.047) 17.690 3.589 ( 2.347 0.721 6.937) 7.358 3.880 ( -0.341 -5.705 1.224) 5.844 4.129 ( 28.667 -0.439 10.068) 30.387 4.562 ( 6.812 3.254 -11.170) 13.482 4.621 ( 6.130 0.501 3.230) 6.947 4.902 ( -3.640 0.693 -7.490) 8.357 5.280 ( -0.972 0.777 5.591) 5.728 5.611 ( -2.518 10.363 3.746) 11.304 6.634 ( -2.163 0.829 -4.902) 5.422 6.730 ( -3.178 0.332 -6.335) 7.095 7.446 ( -6.203 5.216 1.684) 8.278 7.664 ( -3.984 -0.212 3.236) 5.137 7.784 ( -4.065 16.731 -4.536) 17.805 8.300 ( -2.107 5.906 -2.140) 6.626 10.069 ( 10.677 1.623 -1.357) 10.884 10.806 ( 1.343 0.776 -0.374) 1.596 11.077 ( 4.128 -2.609 17.040) 17.726 11.561 ( -4.135 4.087 -3.694) 6.888 12.204 ( -0.673 14.140 10.964) 17.905 12.716 ( 5.723 -8.517 -8.986) 13.639 13.796 ( 20.956 -3.109 4.270) 21.611 14.531 ( -9.638 -8.782 -1.919) 13.179 14.835 ( -10.960 6.631 -1.508) 12.898 15.540 ( -2.001 -8.147 0.498) 8.404 17.812 ( 14.865 4.748 -14.503) 21.304 18.787 ( -8.362 -0.610 1.313) 8.487 18.812 ( -0.278 1.189 12.613) 12.672 19.262 ( -10.145 1.951 1.542) 10.446 19.925 ( -7.721 -2.461 -11.959) 14.446 23.547 ( -1.703 -5.773 4.571) 7.558 24.222 ( 8.565 -4.280 -0.124) 9.576 24.455 ( -2.303 -4.350 2.515) 5.528 ======================= Grid point 16 (12/260) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 0.000 8.856 -0.000) 8.856 2.465 ( 0.000 6.324 0.000) 6.324 2.750 ( 0.000 3.430 0.000) 3.430 2.849 ( -0.000 -0.910 0.000) 0.910 3.626 ( 0.000 1.386 -0.000) 1.386 3.861 ( 0.000 -6.605 0.000) 6.605 4.544 ( 0.000 -0.700 0.000) 0.700 4.572 ( -0.000 -6.636 -0.000) 6.636 4.700 ( 0.000 0.896 -0.000) 0.896 4.808 ( 0.000 5.077 -0.000) 5.077 5.277 ( 0.000 3.871 -0.000) 3.871 5.574 ( 0.000 7.975 -0.000) 7.975 6.605 ( 0.000 0.066 0.000) 0.066 6.686 ( 0.000 2.773 -0.000) 2.773 7.383 ( 0.000 6.224 0.000) 6.224 7.630 ( 0.000 -1.108 -0.000) 1.108 7.736 ( 0.000 19.667 0.000) 19.667 8.277 ( 0.000 4.687 -0.000) 4.687 10.181 ( -0.000 3.596 0.000) 3.596 10.813 ( 0.000 -0.386 -0.000) 0.386 11.141 ( 0.000 0.877 0.000) 0.877 11.515 ( 0.000 -0.562 0.000) 0.562 12.208 ( 0.000 14.952 0.000) 14.952 12.767 ( 0.000 -8.920 -0.000) 8.920 14.171 ( 0.000 -9.669 -0.000) 9.669 14.274 ( -0.000 -5.332 -0.000) 5.332 14.714 ( 0.000 7.433 -0.000) 7.433 15.527 ( 0.000 -7.333 -0.000) 7.333 17.951 ( 0.000 8.619 0.000) 8.619 18.705 ( 0.000 5.286 0.000) 5.286 18.817 ( 0.000 -5.643 -0.000) 5.643 19.166 ( 0.000 0.553 -0.000) 0.553 19.828 ( 0.000 -3.016 -0.000) 3.016 23.531 ( 0.000 -3.387 -0.000) 3.387 24.341 ( 0.000 3.575 -0.000) 3.575 24.405 ( -0.000 -13.910 0.000) 13.910 ======================= Grid point 22 (13/260) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 0.000 24.458 0.000) 24.458 1.152 ( 0.000 26.202 0.000) 26.202 1.888 ( 0.000 41.767 0.000) 41.767 3.096 ( 0.000 -7.867 0.000) 7.867 3.528 ( 0.000 6.742 0.000) 6.742 3.531 ( 0.000 -11.122 0.000) 11.122 4.223 ( 0.000 6.090 0.000) 6.090 4.243 ( 0.000 -2.170 0.000) 2.170 4.534 ( 0.000 5.393 0.000) 5.393 4.712 ( 0.000 3.749 0.000) 3.749 5.393 ( 0.000 -0.676 0.000) 0.676 5.518 ( 0.000 -0.609 0.000) 0.609 6.010 ( 0.000 15.572 0.000) 15.572 7.034 ( 0.000 13.002 0.000) 13.002 7.996 ( 0.000 7.122 0.000) 7.122 8.176 ( 0.000 -3.019 0.000) 3.019 8.488 ( 0.000 8.027 0.000) 8.027 8.604 ( 0.000 -4.443 0.000) 4.443 9.464 ( 0.000 11.197 0.000) 11.197 9.675 ( 0.000 4.742 0.000) 4.742 10.351 ( 0.000 -4.815 0.000) 4.815 11.579 ( 0.000 -21.211 0.000) 21.211 12.400 ( 0.000 7.647 0.000) 7.647 13.006 ( 0.000 7.793 0.000) 7.793 13.870 ( 0.000 -3.447 0.000) 3.447 14.883 ( 0.000 -4.010 0.000) 4.010 15.094 ( 0.000 3.371 0.000) 3.371 15.863 ( 0.000 -16.976 0.000) 16.976 16.039 ( 0.000 -3.027 0.000) 3.027 19.582 ( 0.000 -2.462 0.000) 2.462 19.859 ( 0.000 2.880 0.000) 2.880 20.031 ( 0.000 7.948 0.000) 7.948 20.884 ( 0.000 -0.882 0.000) 0.882 21.060 ( 0.000 -8.612 0.000) 8.612 24.250 ( 0.000 3.774 0.000) 3.774 24.576 ( 0.000 -1.137 0.000) 1.137 ======================= Grid point 23 (14/260) ======================= q-point: ( 0.10 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 8.814 23.706 6.023) 25.999 1.268 ( 13.451 20.973 5.640) 25.546 2.141 ( 23.627 32.928 0.933) 40.538 3.146 ( 3.656 -7.502 7.027) 10.909 3.513 ( -1.247 6.745 -1.994) 7.143 3.569 ( 4.147 -10.814 -2.108) 11.772 4.069 ( -10.681 0.787 3.736) 11.343 4.334 ( 6.165 5.364 -6.178) 10.244 4.581 ( 0.772 6.573 1.895) 6.885 4.737 ( 3.364 -0.234 0.131) 3.374 5.382 ( -0.604 0.254 -0.433) 0.785 5.703 ( 10.748 -0.308 3.820) 11.411 6.110 ( 12.105 4.639 -2.615) 13.225 7.009 ( -2.460 12.089 -0.546) 12.349 7.980 ( -1.699 7.182 -1.199) 7.477 8.113 ( -6.494 -0.472 2.405) 6.941 8.409 ( -7.846 8.081 5.682) 12.615 8.590 ( 2.600 3.039 -16.444) 16.924 9.608 ( -4.712 2.608 4.403) 6.957 9.756 ( 21.187 1.423 25.104) 32.881 10.478 ( 11.482 -2.410 -4.602) 12.602 11.653 ( 7.025 -20.332 2.445) 21.650 12.354 ( -4.575 8.108 -1.566) 9.441 13.055 ( 4.515 7.338 2.590) 8.997 13.554 ( -27.171 10.876 9.954) 30.913 14.833 ( -4.611 -2.903 -4.962) 7.370 15.072 ( -0.156 2.339 4.910) 5.441 15.784 ( -7.359 -15.731 -1.462) 17.428 16.336 ( 26.836 -9.426 -20.925) 35.311 19.196 ( -24.963 5.014 -12.326) 28.288 19.663 ( -9.352 4.080 -4.935) 11.334 20.013 ( -4.066 8.706 0.389) 9.616 20.747 ( -11.651 -1.104 -5.978) 13.142 21.766 ( 44.627 -25.224 26.185) 57.563 24.211 ( -3.595 4.030 -0.227) 5.405 24.556 ( -1.988 -0.092 1.995) 2.818 ======================= Grid point 24 (15/260) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 14.967 18.193 3.957) 23.889 1.634 ( 19.978 15.276 6.023) 25.860 2.704 ( 29.739 15.870 4.754) 34.042 3.236 ( 2.429 -6.678 8.735) 11.260 3.471 ( -2.210 6.078 0.128) 6.469 3.688 ( 7.962 -7.994 -1.880) 11.438 3.857 ( -10.582 1.518 1.244) 10.762 4.440 ( 5.394 6.782 -7.299) 11.330 4.553 ( -2.261 5.618 2.917) 6.722 4.832 ( 5.453 -1.572 -2.638) 6.258 5.369 ( -0.535 3.009 0.007) 3.056 5.821 ( 1.676 7.300 5.951) 9.566 6.402 ( 14.783 -10.405 -8.508) 19.979 6.940 ( -4.228 10.045 -0.051) 10.898 7.916 ( -4.476 5.951 -2.211) 7.768 7.958 ( -9.428 6.533 7.448) 13.676 8.284 ( -4.794 12.891 -0.074) 13.754 8.584 ( -1.230 4.512 -11.708) 12.608 9.599 ( 4.470 -0.938 2.823) 5.369 10.252 ( 20.668 -3.892 28.438) 35.370 10.710 ( 11.941 0.475 -4.540) 12.784 11.854 ( 12.087 -17.779 4.930) 22.057 12.207 ( -9.953 10.676 -2.866) 14.875 13.047 ( -19.750 20.579 12.517) 31.148 13.215 ( 7.344 4.669 -2.728) 9.120 14.702 ( -7.142 -4.396 -5.436) 9.994 15.109 ( 1.850 1.366 5.064) 5.561 15.590 ( -11.214 -14.329 -2.627) 18.384 16.861 ( 30.577 -9.111 -22.497) 39.039 18.846 ( -8.878 3.378 -3.360) 10.076 19.416 ( -15.460 4.010 0.399) 15.976 19.881 ( -9.680 8.261 1.194) 12.782 20.440 ( -16.046 -1.784 -12.162) 20.213 22.578 ( 31.187 -29.363 21.096) 47.748 24.125 ( -4.482 3.912 -1.390) 6.109 24.519 ( -2.178 0.334 2.491) 3.326 ======================= Grid point 25 (16/260) ======================= q-point: ( 0.30 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 19.554 11.584 3.152) 22.945 2.040 ( 19.829 12.599 3.138) 23.702 3.122 ( 3.475 0.326 1.008) 3.633 3.243 ( -3.538 -6.241 4.871) 8.672 3.515 ( 7.728 0.518 5.525) 9.514 3.674 ( -1.322 3.936 4.203) 5.908 3.892 ( 9.444 2.887 0.878) 9.915 4.465 ( 1.650 0.476 -8.817) 8.983 4.602 ( 5.147 6.497 4.232) 9.306 4.906 ( 2.494 -1.451 -5.989) 6.648 5.364 ( 0.002 5.916 0.490) 5.936 5.831 ( -1.934 6.060 5.386) 8.335 6.587 ( 6.608 -7.493 -12.600) 16.080 6.855 ( -4.217 7.543 1.912) 8.851 7.788 ( -7.511 2.306 2.561) 8.264 7.820 ( -6.225 16.162 5.651) 18.218 8.221 ( -1.475 17.736 -3.177) 18.078 8.485 ( -5.841 2.815 -6.831) 9.418 9.796 ( 14.075 -2.121 -0.493) 14.243 10.651 ( 13.384 -2.687 19.968) 24.188 10.900 ( 7.905 2.147 0.997) 8.252 11.959 ( -11.708 11.965 -7.040) 18.161 12.133 ( 12.219 -12.010 10.413) 20.050 12.764 ( -10.106 15.901 1.207) 18.880 13.424 ( 12.435 0.205 2.224) 12.634 14.530 ( -9.372 -8.652 -3.614) 13.257 15.124 ( -3.026 4.966 2.847) 6.475 15.379 ( -7.435 -13.938 -2.103) 15.937 17.414 ( 30.214 -2.977 -20.474) 36.618 18.782 ( 0.738 -0.229 5.539) 5.592 19.081 ( -17.714 4.268 2.242) 18.358 19.637 ( -15.489 7.155 3.598) 17.437 20.108 ( -13.768 -3.305 -14.859) 20.525 23.100 ( 18.261 -22.909 15.231) 33.020 24.047 ( -2.586 -0.260 -3.349) 4.239 24.481 ( -2.311 0.105 2.265) 3.238 ======================= Grid point 26 (17/260) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 20.490 7.495 3.487) 22.095 2.413 ( 17.158 10.375 -0.167) 20.052 2.968 ( -14.023 0.522 0.894) 14.061 3.076 ( -11.919 -1.609 -1.356) 12.103 3.597 ( 3.086 -3.032 5.755) 7.200 3.772 ( -0.209 -1.891 0.208) 1.913 4.160 ( 17.006 3.511 9.494) 19.791 4.535 ( 5.521 -3.064 -8.454) 10.552 4.709 ( 4.155 5.125 3.975) 7.702 4.893 ( -1.738 -1.643 -7.758) 8.118 5.379 ( 1.525 7.952 1.227) 8.189 5.765 ( -5.561 3.204 3.129) 7.140 6.633 ( 1.823 0.542 -10.256) 10.431 6.794 ( -2.559 4.976 2.491) 6.125 7.675 ( -4.416 2.434 3.416) 6.090 7.731 ( -3.598 21.344 2.749) 21.819 8.204 ( 0.180 21.681 -2.388) 21.813 8.361 ( -4.813 -0.328 -3.437) 5.924 10.088 ( 14.035 -0.517 -1.459) 14.120 10.818 ( 1.084 -0.120 2.115) 2.379 11.066 ( 7.421 2.264 13.350) 15.441 11.726 ( -9.121 12.003 -7.547) 16.859 12.376 ( 8.914 -8.070 12.005) 16.991 12.623 ( -4.435 9.382 -6.452) 12.220 13.696 ( 14.186 -6.549 2.678) 15.853 14.315 ( -11.727 -12.149 -1.645) 16.965 14.991 ( -7.779 8.540 -1.451) 11.642 15.326 ( 0.172 -11.630 0.714) 11.653 17.924 ( 24.593 5.415 -17.373) 30.594 18.784 ( -10.559 0.758 2.975) 10.996 18.848 ( 1.253 1.919 11.674) 11.897 19.320 ( -15.665 3.741 2.135) 16.247 19.849 ( -9.041 -4.907 -11.240) 15.237 23.382 ( 7.821 -10.532 8.795) 15.794 24.017 ( 0.263 -12.536 -3.490) 13.016 24.440 ( -2.071 1.565 1.496) 2.996 ======================= Grid point 27 (18/260) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 0.000 15.222 0.000) 15.222 2.548 ( -0.000 1.016 -0.000) 1.016 2.772 ( 0.000 -6.395 0.000) 6.395 2.873 ( -0.000 7.712 0.000) 7.712 3.687 ( -0.000 -9.897 -0.000) 9.897 3.701 ( 0.000 5.586 0.000) 5.586 4.423 ( 0.000 -7.483 0.000) 7.483 4.536 ( -0.000 1.641 -0.000) 1.641 4.766 ( 0.000 4.037 -0.000) 4.037 4.853 ( 0.000 -1.598 -0.000) 1.598 5.411 ( 0.000 8.834 0.000) 8.834 5.688 ( 0.000 1.993 -0.000) 1.993 6.639 ( 0.000 3.897 0.000) 3.897 6.769 ( 0.000 4.525 0.000) 4.525 7.635 ( 0.000 1.605 -0.000) 1.605 7.698 ( 0.000 24.416 0.000) 24.416 8.206 ( 0.000 24.494 0.000) 24.494 8.305 ( 0.000 -3.212 -0.000) 3.212 10.249 ( -0.000 1.683 0.000) 1.683 10.804 ( 0.000 -0.502 -0.000) 0.502 11.176 ( 0.000 2.772 0.000) 2.772 11.612 ( -0.000 10.524 0.000) 10.524 12.519 ( 0.000 -14.123 0.000) 14.123 12.536 ( 0.000 15.211 -0.000) 15.211 13.915 ( 0.000 -14.755 -0.000) 14.755 14.124 ( -0.000 -8.778 0.000) 8.778 14.903 ( 0.000 10.465 -0.000) 10.465 15.333 ( 0.000 -10.693 -0.000) 10.693 18.184 ( 0.000 13.348 0.000) 13.348 18.694 ( -0.000 -5.598 0.000) 5.598 18.853 ( 0.000 8.499 -0.000) 8.499 19.148 ( 0.000 -2.519 -0.000) 2.519 19.737 ( 0.000 -5.717 -0.000) 5.717 23.465 ( 0.000 -2.565 -0.000) 2.565 24.021 ( 0.000 -21.936 0.000) 21.936 24.418 ( 0.000 3.476 0.000) 3.476 ======================= Grid point 33 (19/260) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 0.000 21.969 0.000) 21.969 1.657 ( 0.000 22.292 0.000) 22.292 2.653 ( 0.000 31.092 0.000) 31.092 2.903 ( 0.000 -10.508 0.000) 10.508 3.241 ( 0.000 -16.001 0.000) 16.001 3.681 ( 0.000 8.254 0.000) 8.254 4.187 ( 0.000 -3.380 0.000) 3.380 4.390 ( 0.000 9.034 0.000) 9.034 4.635 ( 0.000 3.954 0.000) 3.954 4.780 ( 0.000 2.446 0.000) 2.446 5.329 ( 0.000 -5.352 0.000) 5.352 5.479 ( 0.000 -2.471 0.000) 2.471 6.284 ( 0.000 9.908 0.000) 9.908 7.290 ( 0.000 11.419 0.000) 11.419 8.113 ( 0.000 -4.450 0.000) 4.450 8.158 ( 0.000 7.206 0.000) 7.206 8.534 ( 0.000 -1.345 0.000) 1.345 8.701 ( 0.000 13.199 0.000) 13.199 9.755 ( 0.000 15.794 0.000) 15.794 9.756 ( 0.000 2.981 0.000) 2.981 10.215 ( 0.000 -7.737 0.000) 7.737 11.126 ( 0.000 -22.336 0.000) 22.336 12.618 ( 0.000 13.046 0.000) 13.046 13.135 ( 0.000 4.693 0.000) 4.693 13.819 ( 0.000 -1.485 0.000) 1.485 14.799 ( 0.000 -3.775 0.000) 3.775 14.995 ( 0.000 -14.300 0.000) 14.300 15.620 ( 0.000 -4.189 0.000) 4.189 15.977 ( 0.000 -2.711 0.000) 2.711 19.540 ( 0.000 -1.582 0.000) 1.582 19.910 ( 0.000 1.989 0.000) 1.989 20.212 ( 0.000 9.354 0.000) 9.354 20.865 ( 0.000 -9.952 0.000) 9.952 20.866 ( 0.000 -0.815 0.000) 0.815 24.332 ( 0.000 4.114 0.000) 4.114 24.544 ( 0.000 -2.053 0.000) 2.053 ======================= Grid point 34 (20/260) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 10.364 20.827 4.755) 23.744 1.701 ( 4.557 20.562 1.905) 21.147 2.747 ( 8.962 22.608 0.738) 24.331 2.969 ( 5.149 -8.546 5.816) 11.548 3.292 ( 5.570 -14.373 -3.475) 15.802 3.681 ( 0.428 9.189 -1.111) 9.265 4.062 ( -10.175 -1.152 1.514) 10.351 4.475 ( 6.713 7.286 -2.566) 10.234 4.696 ( 4.502 4.002 -1.128) 6.128 4.746 ( -3.003 0.544 1.809) 3.548 5.354 ( 2.775 -2.709 -0.985) 4.001 5.606 ( 10.408 -5.939 2.955) 12.343 6.293 ( 1.314 8.345 -0.868) 8.492 7.245 ( -4.438 10.565 1.690) 11.583 8.064 ( -3.649 0.020 -4.879) 6.093 8.154 ( -1.457 2.276 5.716) 6.323 8.546 ( 0.300 6.029 8.189) 10.173 8.729 ( 2.640 12.135 -8.529) 15.066 9.626 ( -8.692 -0.888 3.356) 9.360 9.912 ( 13.479 11.249 12.369) 21.476 10.407 ( 15.632 -3.850 -5.677) 17.071 11.212 ( 8.548 -21.729 1.257) 23.383 12.582 ( -3.447 13.477 -1.887) 14.038 13.174 ( 3.728 4.010 0.449) 5.494 13.676 ( -14.082 3.178 7.037) 16.060 14.758 ( -4.923 -4.650 -4.084) 7.908 14.971 ( -1.135 -13.273 4.066) 13.928 15.551 ( -5.379 -3.804 -1.076) 6.676 16.213 ( 22.613 -3.670 -11.976) 25.851 19.228 ( -23.076 -0.353 -5.324) 23.685 19.751 ( -7.906 3.820 -10.900) 13.997 20.203 ( -4.655 9.195 1.937) 10.487 20.726 ( -12.054 -0.862 -5.649) 13.340 21.355 ( 34.599 -15.827 20.520) 43.228 24.300 ( -3.165 4.456 -0.247) 5.471 24.529 ( -1.442 -2.213 0.590) 2.706 ======================= Grid point 35 (21/260) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 8.443 19.266 0.246) 21.036 1.944 ( 16.160 14.669 7.170) 22.972 2.961 ( 10.616 5.867 2.490) 12.382 3.081 ( 3.931 -6.769 6.230) 10.004 3.416 ( 5.663 -9.404 -2.783) 11.325 3.723 ( 3.668 7.447 1.515) 8.439 3.872 ( -5.950 3.316 0.206) 6.815 4.602 ( 6.253 7.457 -4.428) 10.692 4.629 ( -6.890 1.446 5.611) 9.002 4.819 ( 6.105 0.370 -6.126) 8.656 5.422 ( 3.896 2.001 -0.330) 4.393 5.797 ( 6.102 -7.084 3.290) 9.912 6.357 ( 6.278 2.910 -3.550) 7.777 7.138 ( -6.647 8.821 2.600) 11.347 7.960 ( -5.920 1.913 -1.911) 6.508 8.136 ( -1.998 3.056 10.094) 10.734 8.574 ( 0.779 14.668 3.459) 15.090 8.716 ( -2.482 11.392 -9.403) 14.978 9.554 ( 2.305 -3.699 0.956) 4.462 10.271 ( 17.435 3.436 18.129) 25.385 10.707 ( 15.246 0.036 -5.079) 16.070 11.455 ( 15.064 -19.726 2.723) 24.969 12.474 ( -6.796 15.058 -3.902) 16.975 13.261 ( 2.263 -0.455 -2.501) 3.404 13.379 ( -13.884 12.669 12.075) 22.340 14.574 ( -12.073 -9.481 -4.253) 15.929 14.996 ( 2.119 -11.366 4.093) 12.265 15.428 ( -6.526 0.044 -2.302) 6.920 16.734 ( 32.556 -3.746 -16.790) 36.822 18.851 ( -12.576 -1.636 -2.608) 12.947 19.534 ( -12.789 6.324 -5.387) 15.250 20.047 ( -11.417 7.457 3.346) 14.041 20.400 ( -17.790 -1.989 -11.063) 21.043 22.070 ( 31.359 -19.727 19.285) 41.767 24.209 ( -6.016 4.083 -1.531) 7.430 24.498 ( -1.721 -2.049 1.142) 2.910 ======================= Grid point 36 (22/260) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 12.839 12.561 -0.643) 17.974 2.288 ( 16.460 10.779 5.867) 20.531 3.061 ( -2.378 -6.180 4.176) 7.828 3.163 ( 2.565 -1.295 -2.421) 3.757 3.457 ( -0.772 -3.985 6.351) 7.537 3.698 ( 0.045 -2.678 0.417) 2.710 4.033 ( 14.685 9.859 3.215) 17.977 4.493 ( -6.154 1.515 3.534) 7.256 4.715 ( 5.192 4.534 -2.401) 7.300 4.889 ( 2.363 -0.075 -10.166) 10.437 5.493 ( 3.217 5.884 -0.048) 6.707 5.835 ( -2.344 -4.571 3.248) 6.078 6.514 ( 9.947 -0.231 -6.707) 11.999 7.010 ( -6.584 7.175 2.963) 10.179 7.835 ( -6.375 2.719 1.242) 7.041 8.127 ( -1.518 4.858 12.396) 13.401 8.550 ( -5.186 17.713 -5.096) 19.147 8.642 ( -0.139 14.922 -4.405) 15.559 9.719 ( 13.394 -5.827 -1.146) 14.651 10.609 ( 12.093 -3.291 12.056) 17.390 10.969 ( 11.741 5.441 2.142) 13.116 11.779 ( 16.057 -16.782 1.982) 23.311 12.300 ( -9.596 17.475 -4.375) 20.411 13.046 ( -13.381 8.185 4.267) 16.255 13.427 ( 6.381 2.034 3.253) 7.445 14.297 ( -14.443 -14.388 -1.999) 20.485 15.052 ( 2.476 -10.548 2.505) 11.121 15.293 ( -6.438 5.173 -2.455) 8.616 17.375 ( 35.856 -0.835 -18.406) 40.313 18.723 ( -1.221 -4.157 3.214) 5.394 19.233 ( -16.132 9.066 -2.312) 18.649 19.775 ( -17.352 5.562 6.147) 19.230 20.027 ( -16.312 -4.243 -12.654) 21.076 22.656 ( 24.502 -18.775 15.056) 34.344 24.051 ( -9.551 0.567 -3.686) 10.253 24.475 ( -0.729 -0.529 1.324) 1.601 ======================= Grid point 37 (23/260) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 14.795 4.797 -1.735) 15.650 2.584 ( 10.706 3.168 6.047) 12.698 2.941 ( -7.997 1.875 -1.290) 8.315 3.116 ( -5.551 3.202 -1.599) 6.605 3.465 ( 0.645 -6.585 4.766) 8.155 3.771 ( 3.891 -1.684 1.114) 4.384 4.252 ( 4.038 4.894 8.327) 10.469 4.493 ( 7.073 -0.816 1.969) 7.387 4.783 ( 1.463 1.520 -2.095) 2.973 4.860 ( -1.911 -0.493 -11.715) 11.880 5.551 ( 2.906 7.472 -0.041) 8.017 5.753 ( -5.762 -2.988 2.492) 6.952 6.683 ( 8.268 3.781 -7.104) 11.538 6.904 ( -4.791 5.644 3.342) 8.123 7.728 ( -4.535 2.948 1.960) 5.753 8.133 ( -0.610 -1.465 10.807) 10.923 8.412 ( -5.495 25.232 -7.557) 26.906 8.662 ( 1.620 18.891 -1.637) 19.031 10.011 ( 14.539 -8.097 -1.079) 16.676 10.775 ( 3.383 -4.144 0.886) 5.423 11.174 ( 7.205 7.993 10.553) 15.072 11.998 ( 1.354 4.210 -12.073) 12.857 12.158 ( 0.771 0.821 8.408) 8.483 12.849 ( -7.152 7.566 2.204) 10.642 13.544 ( 4.354 -7.203 0.045) 8.416 14.040 ( -10.274 -13.934 0.757) 17.329 15.097 ( 1.672 -9.633 -0.068) 9.777 15.176 ( -4.638 8.559 -0.629) 9.755 18.020 ( 32.868 3.864 -18.373) 37.852 18.771 ( 1.931 -2.720 4.818) 5.860 18.939 ( -11.196 7.552 5.258) 14.493 19.406 ( -20.678 3.655 4.964) 21.578 19.730 ( -10.589 -6.050 -9.199) 15.276 23.116 ( 19.508 -14.046 11.235) 26.534 23.817 ( -12.979 -6.054 -5.885) 15.484 24.472 ( -0.007 1.189 0.838) 1.455 ======================= Grid point 38 (24/260) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 0.000 -1.486 -0.000) 1.486 2.608 ( -0.000 -7.637 0.000) 7.637 2.896 ( 0.000 17.171 0.000) 17.171 3.013 ( 0.000 4.815 0.000) 4.815 3.484 ( 0.000 -8.641 -0.000) 8.641 3.803 ( 0.000 2.213 -0.000) 2.213 4.299 ( 0.000 -2.927 0.000) 2.927 4.623 ( -0.000 6.100 -0.000) 6.100 4.747 ( 0.000 -8.075 0.000) 8.075 4.833 ( 0.000 2.125 -0.000) 2.125 5.600 ( -0.000 8.404 0.000) 8.404 5.671 ( 0.000 -2.672 -0.000) 2.672 6.776 ( 0.000 9.093 0.000) 9.093 6.846 ( -0.000 2.748 0.000) 2.748 7.682 ( 0.000 2.617 -0.000) 2.617 8.144 ( 0.000 -11.445 -0.000) 11.445 8.341 ( 0.000 35.892 0.000) 35.892 8.678 ( 0.000 19.750 0.000) 19.750 10.180 ( 0.000 -10.110 0.000) 10.110 10.792 ( 0.000 -0.602 -0.000) 0.602 11.267 ( 0.000 6.298 0.000) 6.298 11.934 ( -0.000 19.719 0.000) 19.719 12.232 ( 0.000 -12.770 -0.000) 12.770 12.780 ( 0.000 7.119 0.000) 7.119 13.585 ( 0.000 -16.257 -0.000) 16.257 13.937 ( 0.000 -8.648 0.000) 8.648 15.117 ( 0.000 -9.517 -0.000) 9.517 15.123 ( -0.000 10.082 0.000) 10.082 18.479 ( -0.000 14.851 0.000) 14.851 18.608 ( 0.000 -2.387 -0.000) 2.387 19.016 ( -0.000 5.878 -0.000) 5.878 19.066 ( 0.000 -5.054 0.000) 5.054 19.606 ( 0.000 -6.263 -0.000) 6.263 23.434 ( -0.000 -0.494 -0.000) 0.494 23.568 ( 0.000 -20.307 0.000) 20.307 24.474 ( 0.000 1.845 0.000) 1.845 ======================= Grid point 44 (25/260) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 0.000 13.742 0.000) 13.742 2.018 ( 0.000 9.977 0.000) 9.977 2.712 ( 0.000 -5.649 0.000) 5.649 2.924 ( 0.000 -12.307 0.000) 12.307 3.102 ( 0.000 11.204 0.000) 11.204 3.874 ( 0.000 9.644 0.000) 9.644 4.092 ( 0.000 -5.969 0.000) 5.969 4.555 ( 0.000 5.880 0.000) 5.880 4.675 ( 0.000 -0.229 0.000) 0.229 4.811 ( 0.000 0.718 0.000) 0.718 5.212 ( 0.000 -4.309 0.000) 4.309 5.435 ( 0.000 -1.333 0.000) 1.333 6.412 ( 0.000 2.806 0.000) 2.806 7.493 ( 0.000 7.184 0.000) 7.184 7.985 ( 0.000 -5.997 0.000) 5.997 8.255 ( 0.000 2.144 0.000) 2.144 8.545 ( 0.000 1.169 0.000) 1.169 8.991 ( 0.000 11.360 0.000) 11.360 9.796 ( 0.000 0.921 0.000) 0.921 9.900 ( 0.000 -4.800 0.000) 4.800 10.249 ( 0.000 15.698 0.000) 15.698 10.676 ( 0.000 -20.703 0.000) 20.703 12.873 ( 0.000 8.805 0.000) 8.805 13.199 ( 0.000 1.547 0.000) 1.547 13.806 ( 0.000 -0.037 0.000) 0.037 14.667 ( 0.000 -11.871 0.000) 11.871 14.741 ( 0.000 -1.565 0.000) 1.565 15.610 ( 0.000 0.765 0.000) 0.765 15.936 ( 0.000 -1.083 0.000) 1.083 19.518 ( 0.000 -0.542 0.000) 0.542 19.938 ( 0.000 0.714 0.000) 0.714 20.403 ( 0.000 8.393 0.000) 8.393 20.665 ( 0.000 -8.625 0.000) 8.625 20.853 ( 0.000 -0.333 0.000) 0.333 24.413 ( 0.000 3.467 0.000) 3.467 24.493 ( 0.000 -2.712 0.000) 2.712 ======================= Grid point 45 (26/260) ======================= q-point: ( 0.10 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 6.741 11.101 4.473) 13.736 2.064 ( 4.839 11.952 -1.607) 12.994 2.767 ( 4.498 -5.630 6.438) 9.664 2.914 ( -0.277 -8.959 6.071) 10.825 3.194 ( 8.777 5.822 -10.343) 14.761 3.846 ( -3.503 4.685 -0.362) 5.861 4.057 ( -2.251 1.284 3.176) 4.099 4.589 ( 2.376 2.860 -1.538) 4.024 4.702 ( 1.822 -1.571 -2.170) 3.240 4.783 ( -0.423 1.831 0.464) 1.936 5.298 ( 7.358 -1.805 0.720) 7.610 5.507 ( 6.416 -2.949 1.938) 7.322 6.403 ( -0.514 2.478 -0.877) 2.679 7.429 ( -6.253 6.106 2.176) 9.007 8.003 ( 1.194 -4.101 4.054) 5.889 8.174 ( -5.429 0.515 -5.385) 7.664 8.655 ( 6.713 3.166 11.130) 13.378 9.034 ( 3.794 13.506 -1.408) 14.100 9.554 ( -12.876 -5.509 1.876) 14.130 10.090 ( 10.307 2.785 -1.689) 10.810 10.435 ( 16.144 10.278 0.838) 19.156 10.782 ( 10.478 -19.385 1.802) 22.109 12.847 ( -2.360 9.388 -2.293) 9.948 13.215 ( 1.252 0.142 -1.077) 1.658 13.733 ( -7.349 2.327 6.183) 9.882 14.568 ( -9.339 -10.920 -1.253) 14.423 14.771 ( 2.419 -2.935 1.345) 4.035 15.548 ( -4.296 0.885 0.074) 4.386 16.165 ( 21.777 -1.109 -9.684) 23.858 19.215 ( -23.178 -0.455 -2.488) 23.316 19.806 ( -6.030 1.407 -13.266) 14.640 20.362 ( -6.777 5.017 3.531) 9.142 20.715 ( -12.441 -0.158 -7.035) 14.294 21.110 ( 31.867 -7.096 18.749) 37.648 24.390 ( -2.688 4.195 -0.186) 4.986 24.470 ( -1.819 -3.438 0.106) 3.891 ======================= Grid point 46 (27/260) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 5.673 9.053 3.724) 11.314 2.221 ( 10.929 10.447 -0.330) 15.123 2.889 ( 5.142 -5.024 7.975) 10.737 2.971 ( 4.738 -7.042 6.181) 10.499 3.342 ( 7.829 1.448 -10.845) 13.454 3.721 ( -8.210 -2.588 0.735) 8.640 4.084 ( 4.127 10.077 6.131) 12.497 4.575 ( -4.271 -4.060 5.526) 8.079 4.733 ( 3.419 3.223 -5.280) 7.068 4.845 ( 5.343 1.556 -7.895) 9.659 5.457 ( 7.851 1.436 1.072) 8.053 5.652 ( 6.363 -5.126 2.202) 8.462 6.410 ( 2.522 1.479 -1.755) 3.410 7.285 ( -8.353 4.532 2.703) 9.880 8.005 ( -4.047 2.564 2.067) 5.218 8.083 ( -1.917 -4.875 5.535) 7.621 8.792 ( 4.945 5.301 5.446) 9.067 9.075 ( -0.309 19.891 -1.726) 19.968 9.415 ( -0.084 -10.888 -0.107) 10.888 10.297 ( 10.690 -1.146 1.210) 10.819 10.794 ( 18.813 9.591 2.685) 21.287 11.078 ( 17.902 -16.326 3.974) 24.552 12.772 ( -4.364 11.079 -4.443) 12.709 13.201 ( -3.757 -4.127 -2.966) 6.320 13.605 ( -5.533 8.484 10.294) 14.441 14.307 ( -16.405 -12.282 -1.131) 20.525 14.833 ( 3.343 -3.409 1.395) 4.975 15.467 ( -3.878 1.688 -1.110) 4.372 16.689 ( 33.419 -0.957 -14.851) 36.583 18.817 ( -14.767 -1.081 -1.310) 14.864 19.636 ( -9.114 2.894 -9.723) 13.637 20.164 ( -14.139 3.265 4.798) 15.284 20.367 ( -19.513 -0.940 -9.392) 21.676 21.783 ( 30.687 -7.430 17.328) 36.016 24.282 ( -8.229 2.536 -1.813) 8.799 24.451 ( -0.083 -1.910 0.961) 2.140 ======================= Grid point 47 (28/260) ======================= q-point: ( 0.30 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 6.618 8.564 1.843) 10.979 2.428 ( 8.665 1.539 1.204) 8.883 2.986 ( 3.694 0.764 3.730) 5.305 3.089 ( 4.667 -5.838 1.378) 7.600 3.444 ( 3.082 3.079 0.111) 4.358 3.590 ( -2.785 -6.244 0.890) 6.895 4.224 ( 7.574 6.671 6.882) 12.216 4.493 ( -5.008 -1.336 9.642) 10.946 4.787 ( 2.911 1.973 -8.084) 8.815 4.900 ( 2.116 0.731 -13.389) 13.575 5.593 ( 5.339 3.750 0.833) 6.577 5.719 ( -0.218 -5.071 2.148) 5.511 6.528 ( 9.977 0.705 -2.755) 10.374 7.132 ( -7.369 3.786 2.182) 8.567 7.900 ( -5.782 3.536 2.362) 7.177 8.050 ( -4.820 -6.425 8.599) 11.767 8.878 ( 3.189 6.732 1.779) 7.659 9.064 ( 1.086 26.077 -2.756) 26.245 9.513 ( 8.546 -15.476 -0.639) 17.690 10.504 ( 10.108 -4.658 -0.081) 11.130 11.145 ( 14.494 10.578 7.809) 19.569 11.460 ( 19.226 -13.396 3.690) 23.722 12.656 ( -6.219 14.617 -5.884) 16.940 13.037 ( -10.925 -6.509 -1.341) 12.788 13.582 ( -0.962 11.564 6.937) 13.519 13.960 ( -16.796 -16.260 0.467) 23.382 14.901 ( 3.065 -3.614 1.158) 4.879 15.387 ( -3.931 2.775 -1.543) 5.053 17.370 ( 38.646 0.076 -17.685) 42.501 18.651 ( -2.553 -2.097 3.145) 4.561 19.400 ( -12.549 5.625 -8.462) 16.147 19.828 ( -20.312 -0.497 1.900) 20.406 19.969 ( -18.512 -0.623 -2.625) 18.708 22.377 ( 26.142 -7.353 13.809) 30.466 24.063 ( -13.315 0.423 -3.707) 13.828 24.465 ( 1.023 -0.373 1.050) 1.513 ======================= Grid point 48 (29/260) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 6.665 4.322 0.337) 7.951 2.531 ( 1.140 -4.988 2.621) 5.749 3.050 ( 1.782 4.148 -1.204) 4.673 3.155 ( 3.839 0.751 -4.605) 6.042 3.416 ( -4.344 2.252 8.413) 9.732 3.671 ( 6.775 -6.270 0.840) 9.269 4.349 ( 1.242 3.907 6.827) 7.964 4.473 ( 2.596 -1.609 10.235) 10.681 4.794 ( -0.586 0.424 -9.133) 9.162 4.870 ( -1.061 0.496 -12.870) 12.923 5.642 ( -1.313 0.690 0.886) 1.728 5.708 ( 0.724 -0.035 1.491) 1.658 6.747 ( 11.333 1.752 -3.061) 11.869 7.017 ( -4.579 4.148 1.392) 6.334 7.800 ( -4.976 4.537 2.764) 7.279 7.949 ( -5.566 -9.718 4.770) 12.173 8.926 ( 1.378 7.909 0.740) 8.063 9.099 ( 2.247 32.503 -1.476) 32.614 9.700 ( 9.079 -22.725 -0.709) 24.482 10.688 ( 8.410 -2.858 -2.176) 9.145 11.363 ( 5.244 8.244 9.612) 13.706 11.822 ( 16.127 -8.742 1.159) 18.380 12.500 ( -8.364 19.528 -3.955) 21.609 12.835 ( -7.925 -9.733 -0.966) 12.589 13.463 ( -11.039 -0.159 -0.314) 11.045 13.791 ( -0.962 -8.275 4.210) 9.334 14.952 ( 1.822 -3.788 0.642) 4.252 15.313 ( -2.940 3.794 -1.182) 4.943 18.081 ( 36.575 1.793 -18.343) 40.956 18.706 ( 6.088 -2.346 6.619) 9.294 19.120 ( -13.876 8.121 -5.363) 16.948 19.407 ( -23.358 -3.829 7.233) 24.750 19.650 ( -12.212 -1.033 -2.901) 12.594 22.883 ( 22.679 -6.685 10.571) 25.900 23.749 ( -17.221 -1.245 -5.734) 18.193 24.487 ( 0.875 0.302 0.622) 1.115 ======================= Grid point 49 (30/260) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 0.000 -3.283 -0.000) 3.283 2.509 ( -0.000 -0.728 0.000) 0.728 3.057 ( 0.000 0.122 0.000) 0.122 3.209 ( 0.000 10.916 0.000) 10.916 3.371 ( 0.000 -2.182 0.000) 2.182 3.750 ( 0.000 -5.172 -0.000) 5.172 4.352 ( 0.000 7.152 0.000) 7.152 4.552 ( 0.000 -9.975 -0.000) 9.975 4.748 ( 0.000 4.971 0.000) 4.971 4.843 ( 0.000 -1.132 -0.000) 1.132 5.617 ( 0.000 -1.756 -0.000) 1.756 5.724 ( 0.000 3.195 0.000) 3.195 6.882 ( 0.000 0.843 -0.000) 0.843 6.963 ( -0.000 6.764 0.000) 6.764 7.743 ( 0.000 3.675 -0.000) 3.675 7.897 ( 0.000 -10.520 -0.000) 10.520 8.940 ( 0.000 8.893 -0.000) 8.893 9.122 ( 0.000 33.802 0.000) 33.802 9.800 ( 0.000 -25.976 0.000) 25.976 10.782 ( 0.000 -0.293 0.000) 0.293 11.415 ( 0.000 6.122 0.000) 6.122 12.022 ( 0.000 -6.632 -0.000) 6.632 12.373 ( -0.000 21.336 0.000) 21.336 12.753 ( 0.000 -11.042 -0.000) 11.042 13.330 ( 0.000 -6.174 -0.000) 6.174 13.802 ( 0.000 -3.692 0.000) 3.692 14.972 ( 0.000 -3.918 0.000) 3.918 15.280 ( 0.000 4.288 0.000) 4.288 18.591 ( -0.000 0.168 0.000) 0.168 18.770 ( 0.000 12.004 0.000) 12.004 18.970 ( -0.000 -3.177 -0.000) 3.177 19.033 ( 0.000 -4.409 0.000) 4.409 19.520 ( 0.000 -1.616 0.000) 1.616 23.256 ( 0.000 -8.420 0.000) 8.420 23.434 ( 0.000 0.172 0.000) 0.172 24.497 ( 0.000 0.487 0.000) 0.487 ======================= Grid point 99 (31/260) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -2.381 0.000 25.350) 25.462 0.580 ( 12.851 0.000 29.823) 32.474 1.122 ( 6.436 0.000 57.555) 57.914 3.329 ( 6.570 0.000 6.444) 9.203 3.337 ( -0.796 0.000 -2.602) 2.721 3.640 ( 3.264 0.000 -4.772) 5.782 3.995 ( -0.174 0.000 -8.614) 8.615 4.293 ( -3.307 0.000 -5.675) 6.568 4.533 ( -8.870 0.000 11.723) 14.701 4.926 ( 25.840 0.000 2.406) 25.951 5.377 ( 2.364 0.000 5.655) 6.129 5.419 ( 4.614 0.000 7.102) 8.470 5.772 ( -21.518 0.000 4.609) 22.007 6.780 ( -2.589 0.000 8.233) 8.631 7.702 ( 1.067 0.000 -8.658) 8.724 7.831 ( -0.528 0.000 -1.207) 1.317 8.322 ( -3.801 0.000 1.024) 3.936 8.463 ( -0.136 0.000 15.084) 15.084 9.418 ( 6.633 0.000 -5.829) 8.831 10.477 ( -4.025 0.000 4.034) 5.698 10.521 ( 79.244 0.000 0.053) 79.244 11.274 ( -0.168 0.000 -9.136) 9.138 12.186 ( 4.843 0.000 -8.391) 9.688 12.643 ( 1.745 0.000 -4.951) 5.250 13.878 ( 44.681 0.000 3.677) 44.832 14.929 ( -0.190 0.000 2.732) 2.738 14.978 ( 0.272 0.000 -0.065) 0.279 16.045 ( 0.811 0.000 -11.029) 11.059 18.149 (-213.513 0.000 -0.137) 213.513 18.448 ( 7.255 0.000 0.590) 7.279 19.692 ( 0.271 0.000 0.783) 0.829 19.846 ( -0.693 0.000 0.065) 0.696 20.957 ( -8.098 0.000 5.297) 9.677 22.155 ( 151.976 0.000 -2.342) 151.994 23.597 ( 1.937 0.000 1.098) 2.227 24.143 ( -0.678 0.000 -1.680) 1.812 ======================= Grid point 100 (32/260) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 19.933 0.000 17.136) 26.287 1.042 ( 20.196 0.000 27.188) 33.869 1.728 ( 38.938 0.000 41.105) 56.619 3.322 ( -0.852 0.000 -2.615) 2.751 3.486 ( 6.357 0.000 8.924) 10.956 3.729 ( 6.932 0.000 0.840) 6.983 3.942 ( -3.441 0.000 -10.091) 10.662 4.207 ( -2.399 0.000 -2.919) 3.779 4.375 ( -8.710 0.000 6.161) 10.669 4.945 ( -4.475 0.000 2.431) 5.093 5.432 ( 1.502 0.000 7.265) 7.419 5.477 ( 0.886 0.000 9.942) 9.981 6.290 ( 28.586 0.000 -26.655) 39.085 6.750 ( -1.748 0.000 5.714) 5.976 7.726 ( 2.972 0.000 -8.962) 9.442 7.791 ( -3.073 0.000 -1.946) 3.637 8.188 ( -9.096 0.000 -1.251) 9.181 8.462 ( -3.365 0.000 17.765) 18.080 9.537 ( 5.639 0.000 -0.095) 5.640 10.473 ( 3.044 0.000 0.375) 3.067 11.260 ( 1.328 0.000 -10.747) 10.829 11.555 ( 31.903 0.000 -27.101) 41.860 12.150 ( -5.992 0.000 -5.216) 7.944 12.752 ( 10.154 0.000 -3.518) 10.746 13.734 ( -61.075 0.000 61.364) 86.578 14.872 ( -2.966 0.000 0.078) 2.967 14.991 ( 0.945 0.000 -0.310) 0.994 15.986 ( -4.079 0.000 -10.586) 11.345 16.192 ( 5.571 0.000 2.396) 6.064 18.614 ( 8.432 0.000 7.941) 11.583 19.633 ( -6.426 0.000 0.725) 6.467 19.794 ( -4.995 0.000 0.008) 4.995 20.688 ( -18.690 0.000 -1.995) 18.796 23.714 ( 8.773 0.000 2.614) 9.154 23.896 ( 35.827 0.000 -32.798) 48.572 24.098 ( -1.208 0.000 -4.758) 4.909 ======================= Grid point 101 (33/260) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 23.883 0.000 11.654) 26.575 1.481 ( 18.666 0.000 25.254) 31.404 2.650 ( 44.513 0.000 24.615) 50.866 3.263 ( -5.202 0.000 -1.910) 5.541 3.584 ( 2.149 0.000 3.684) 4.266 3.765 ( -9.801 0.000 -3.413) 10.378 3.946 ( 8.673 0.000 9.371) 12.769 4.198 ( 2.505 0.000 -4.581) 5.221 4.253 ( -2.413 0.000 -3.903) 4.588 4.904 ( -0.850 0.000 -0.681) 1.089 5.469 ( 0.639 0.000 7.048) 7.077 5.525 ( 1.365 0.000 11.022) 11.106 6.533 ( 5.054 0.000 -15.412) 16.219 6.740 ( -0.432 0.000 -1.202) 1.277 7.709 ( -4.804 0.000 -0.872) 4.883 7.746 ( 0.195 0.000 -9.070) 9.072 7.985 ( -10.595 0.000 -0.356) 10.601 8.427 ( -4.200 0.000 19.246) 19.699 9.656 ( 6.914 0.000 2.630) 7.398 10.573 ( 6.498 0.000 -2.406) 6.929 11.283 ( 3.646 0.000 -11.812) 12.362 11.808 ( -6.291 0.000 3.826) 7.363 12.060 ( 6.520 0.000 -20.195) 21.221 12.965 ( -28.593 0.000 61.071) 67.433 13.017 ( 17.162 0.000 -2.306) 17.316 14.817 ( -3.175 0.000 -0.430) 3.204 14.996 ( -0.986 0.000 -2.238) 2.446 15.848 ( -7.219 0.000 -8.240) 10.955 16.607 ( 27.679 0.000 -23.117) 36.062 18.808 ( 8.332 0.000 14.691) 16.889 19.441 ( -13.219 0.000 0.561) 13.231 19.657 ( -8.714 0.000 0.523) 8.729 20.272 ( -20.653 0.000 -8.428) 22.306 23.920 ( 10.775 0.000 2.732) 11.116 23.925 ( -8.033 0.000 -0.915) 8.085 24.293 ( 11.014 0.000 -15.256) 18.817 ======================= Grid point 102 (34/260) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 23.438 0.000 9.468) 25.278 1.891 ( 17.416 0.000 21.879) 27.964 3.095 ( -10.951 0.000 -0.126) 10.951 3.477 ( -15.826 0.000 0.793) 15.846 3.537 ( 39.751 0.000 12.270) 41.602 3.626 ( -0.506 0.000 -0.064) 0.510 4.009 ( -3.409 0.000 0.949) 3.539 4.282 ( 6.857 0.000 -5.660) 8.891 4.372 ( 13.089 0.000 2.591) 13.343 4.877 ( -2.139 0.000 -2.774) 3.503 5.491 ( 0.151 0.000 5.447) 5.449 5.568 ( -0.277 0.000 11.629) 11.632 6.528 ( -1.441 0.000 -11.068) 11.162 6.714 ( -1.157 0.000 0.575) 1.292 7.605 ( -5.665 0.000 2.626) 6.244 7.665 ( -6.282 0.000 -6.203) 8.829 7.805 ( -7.232 0.000 0.246) 7.237 8.395 ( -3.398 0.000 19.642) 19.934 9.832 ( 10.205 0.000 0.927) 10.247 10.693 ( 5.908 0.000 -1.554) 6.109 11.343 ( 4.937 0.000 -12.229) 13.188 11.570 ( -14.803 0.000 9.244) 17.452 12.137 ( 1.261 0.000 -12.123) 12.189 12.794 ( -2.515 0.000 33.441) 33.536 13.400 ( 21.877 0.000 -1.930) 21.962 14.747 ( -3.870 0.000 1.005) 3.999 14.897 ( -9.143 0.000 -7.185) 11.629 15.702 ( -5.346 0.000 -3.253) 6.258 17.083 ( 25.402 0.000 -19.636) 32.106 18.976 ( 2.949 0.000 15.843) 16.115 19.134 ( -16.479 0.000 2.737) 16.705 19.469 ( -10.243 0.000 1.392) 10.337 19.912 ( -11.759 0.000 -11.794) 16.654 23.758 ( -8.203 0.000 -0.833) 8.246 24.123 ( 8.821 0.000 1.898) 9.023 24.417 ( 5.214 0.000 -9.884) 11.175 ======================= Grid point 103 (35/260) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 20.745 0.000 8.843) 22.551 2.245 ( 12.312 0.000 18.605) 22.310 2.856 ( -11.563 0.000 1.055) 11.611 3.136 ( -18.359 0.000 3.921) 18.773 3.594 ( -2.469 0.000 -6.149) 6.627 3.928 ( -3.203 0.000 -4.382) 5.428 4.211 ( 23.424 0.000 -2.137) 23.521 4.440 ( 12.070 0.000 -3.578) 12.589 4.639 ( 11.179 0.000 8.237) 13.885 4.797 ( -4.928 0.000 -1.663) 5.201 5.498 ( -0.577 0.000 3.484) 3.531 5.522 ( -8.097 0.000 10.155) 12.988 6.466 ( -0.669 0.000 -9.585) 9.609 6.741 ( 3.094 0.000 7.839) 8.428 7.512 ( -4.501 0.000 6.938) 8.270 7.526 ( -5.657 0.000 -1.745) 5.920 7.689 ( -4.493 0.000 -1.213) 4.654 8.388 ( -1.977 0.000 19.829) 19.927 10.028 ( 8.756 0.000 -0.855) 8.798 10.792 ( 4.067 0.000 1.010) 4.191 11.304 ( -13.651 0.000 0.948) 13.684 11.407 ( 4.144 0.000 -12.001) 12.697 12.071 ( -4.691 0.000 -3.772) 6.020 12.905 ( 5.270 0.000 17.997) 18.753 13.850 ( 23.969 0.000 -2.686) 24.119 14.594 ( -18.739 0.000 -11.001) 21.730 14.681 ( -2.796 0.000 2.491) 3.744 15.632 ( -1.868 0.000 0.103) 1.871 17.504 ( 20.838 0.000 -12.773) 24.441 18.786 ( -13.233 0.000 -0.043) 13.233 19.014 ( -6.692 0.000 7.250) 9.866 19.281 ( -8.610 0.000 2.162) 8.878 19.815 ( 3.665 0.000 -0.755) 3.742 23.615 ( -5.722 0.000 -2.200) 6.130 24.259 ( 4.371 0.000 0.592) 4.411 24.463 ( 1.824 0.000 -9.352) 9.528 ======================= Grid point 104 (36/260) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -12.704 0.000 9.127) 15.643 2.479 ( -1.651 0.000 10.015) 10.150 2.823 ( 8.852 0.000 9.493) 12.980 2.883 ( 0.131 0.000 3.421) 3.424 3.502 ( -4.431 0.000 -11.402) 12.233 3.879 ( -0.858 0.000 -4.829) 4.905 4.311 ( -8.130 0.000 -16.211) 18.136 4.605 ( -2.006 0.000 -5.869) 6.202 4.810 ( 3.488 0.000 10.593) 11.153 4.866 ( 13.912 0.000 5.597) 14.995 5.313 ( -12.825 0.000 8.020) 15.126 5.486 ( -1.216 0.000 2.165) 2.483 6.499 ( 5.398 0.000 -4.224) 6.855 6.858 ( 5.670 0.000 13.512) 14.653 7.463 ( -0.047 0.000 -0.866) 0.867 7.482 ( 0.035 0.000 9.790) 9.791 7.635 ( -0.375 0.000 -1.476) 1.523 8.408 ( -0.781 0.000 20.482) 20.497 10.139 ( 1.885 0.000 -0.287) 1.907 10.847 ( 0.925 0.000 2.875) 3.020 11.024 ( -14.008 0.000 -10.593) 17.562 11.442 ( 2.071 0.000 -11.174) 11.364 11.967 ( -4.612 0.000 -4.166) 6.215 13.027 ( 2.732 0.000 15.085) 15.330 14.145 ( -21.719 0.000 -13.329) 25.482 14.316 ( 21.990 0.000 -2.379) 22.119 14.661 ( 0.157 0.000 3.611) 3.614 15.607 ( -0.856 0.000 -0.056) 0.858 17.821 ( 12.626 0.000 -3.441) 13.087 18.632 ( -1.981 0.000 -2.389) 3.103 18.831 ( -9.974 0.000 -4.482) 10.934 19.171 ( -2.227 0.000 1.736) 2.824 19.989 ( 10.663 0.000 12.780) 16.644 23.527 ( -2.432 0.000 -5.080) 5.632 24.290 ( -1.213 0.000 -0.821) 1.465 24.447 ( -1.067 0.000 -10.450) 10.504 ======================= Grid point 105 (37/260) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -20.505 0.000 6.849) 21.618 2.179 ( -22.999 0.000 9.100) 24.734 3.066 ( 10.355 0.000 10.451) 14.712 3.138 ( 16.353 0.000 2.690) 16.573 3.386 ( -4.049 0.000 -13.152) 13.761 3.865 ( 0.428 0.000 -4.563) 4.583 3.886 ( -29.139 0.000 -14.844) 32.702 4.493 ( -7.759 0.000 -4.677) 9.059 4.830 ( -3.387 0.000 12.459) 12.912 5.078 ( 4.273 0.000 6.247) 7.569 5.172 ( -1.113 0.000 1.902) 2.204 5.457 ( -2.374 0.000 1.705) 2.923 6.623 ( 6.614 0.000 0.725) 6.654 7.004 ( 5.696 0.000 15.351) 16.374 7.519 ( 5.628 0.000 -3.755) 6.766 7.567 ( 5.911 0.000 10.623) 12.157 7.678 ( 5.265 0.000 -0.086) 5.265 8.448 ( -0.118 0.000 21.445) 21.446 10.076 ( -8.620 0.000 1.168) 8.699 10.693 ( -15.991 0.000 -23.358) 28.308 10.849 ( -1.135 0.000 3.556) 3.732 11.435 ( -0.273 0.000 -9.965) 9.968 11.879 ( -2.746 0.000 -7.066) 7.581 13.078 ( -1.014 0.000 17.087) 17.117 13.672 ( -22.111 0.000 -11.462) 24.905 14.703 ( 2.951 0.000 3.973) 4.949 14.711 ( 17.284 0.000 -4.303) 17.812 15.608 ( 1.883 0.000 -1.831) 2.626 17.974 ( 2.847 0.000 9.206) 9.636 18.548 ( -7.603 0.000 -14.117) 16.035 18.796 ( 9.858 0.000 0.811) 9.891 19.223 ( 7.143 0.000 -0.074) 7.144 20.249 ( 11.633 0.000 18.703) 22.026 23.485 ( -0.395 0.000 -11.240) 11.247 24.210 ( -6.496 0.000 -1.996) 6.796 24.377 ( -3.295 0.000 -11.438) 11.903 ======================= Grid point 106 (38/260) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -22.562 0.000 8.524) 24.118 1.714 ( -25.884 0.000 9.670) 27.631 3.012 ( -33.216 0.000 -5.428) 33.656 3.269 ( -2.529 0.000 -11.437) 11.713 3.380 ( -3.611 0.000 5.170) 6.307 3.439 ( 11.065 0.000 -3.831) 11.709 3.881 ( 2.206 0.000 -0.758) 2.332 4.326 ( -6.696 0.000 -5.476) 8.650 4.770 ( -5.047 0.000 14.274) 15.141 5.082 ( -3.953 0.000 7.977) 8.903 5.222 ( 3.738 0.000 -1.074) 3.889 5.400 ( -3.572 0.000 1.327) 3.811 6.734 ( 3.551 0.000 5.434) 6.492 7.161 ( 7.212 0.000 12.572) 14.493 7.628 ( 6.035 0.000 -8.433) 10.370 7.729 ( 7.225 0.000 9.273) 11.755 7.851 ( 11.628 0.000 2.698) 11.937 8.495 ( -0.371 0.000 21.655) 21.658 9.826 ( -15.817 0.000 0.623) 15.829 10.274 ( -20.053 0.000 -36.431) 41.585 10.819 ( -3.130 0.000 3.875) 4.981 11.392 ( -1.689 0.000 -8.737) 8.899 11.838 ( 0.817 0.000 -9.359) 9.394 13.082 ( -2.696 0.000 21.290) 21.460 13.245 ( -18.476 0.000 -9.650) 20.845 14.781 ( 3.794 0.000 3.686) 5.290 14.938 ( 6.527 0.000 -3.219) 7.277 15.700 ( 8.255 0.000 -5.198) 9.755 18.031 ( 1.024 0.000 24.360) 24.382 18.381 ( -4.900 0.000 -14.631) 15.429 19.082 ( 17.001 0.000 -0.437) 17.006 19.417 ( 11.558 0.000 -0.708) 11.580 20.523 ( 11.513 0.000 20.371) 23.399 23.427 ( -2.641 0.000 -24.884) 25.024 24.037 ( -10.078 0.000 -2.620) 10.413 24.275 ( -4.212 0.000 -10.288) 11.117 ======================= Grid point 107 (39/260) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -22.893 0.000 12.212) 25.947 1.218 ( -26.716 0.000 11.709) 29.169 2.147 ( -47.501 0.000 3.094) 47.602 3.212 ( -0.539 0.000 -7.337) 7.357 3.402 ( -0.439 0.000 4.013) 4.037 3.569 ( 4.238 0.000 -9.829) 10.704 3.946 ( 3.399 0.000 2.357) 4.137 4.233 ( -1.674 0.000 -3.650) 4.016 4.714 ( -4.293 0.000 15.586) 16.167 4.970 ( -8.488 0.000 4.183) 9.463 5.295 ( 3.398 0.000 2.438) 4.182 5.339 ( -2.351 0.000 1.221) 2.649 6.787 ( 0.440 0.000 8.049) 8.061 7.331 ( 6.369 0.000 5.032) 8.117 7.701 ( 3.391 0.000 -9.925) 10.489 7.860 ( 3.665 0.000 2.917) 4.684 8.109 ( 12.540 0.000 3.792) 13.101 8.514 ( -3.209 0.000 16.686) 16.992 9.522 ( -12.985 0.000 -2.914) 13.308 9.730 ( -25.414 0.000 -38.525) 46.153 10.732 ( -6.681 0.000 4.083) 7.830 11.341 ( -1.402 0.000 -7.751) 7.877 11.882 ( 6.093 0.000 -9.774) 11.517 12.913 ( -13.075 0.000 -7.729) 15.189 13.089 ( -1.427 0.000 27.013) 27.050 14.857 ( 2.973 0.000 3.148) 4.330 14.989 ( 0.410 0.000 -1.322) 1.384 15.871 ( 9.544 0.000 -8.510) 12.787 18.227 ( 14.216 0.000 45.915) 48.065 18.305 ( 0.271 0.000 -11.666) 11.669 19.400 ( 14.351 0.000 -0.843) 14.375 19.636 ( 10.129 0.000 -0.065) 10.130 20.786 ( 10.172 0.000 18.377) 21.005 23.175 ( -17.813 0.000 -54.346) 57.191 23.822 ( -10.549 0.000 -2.411) 10.821 24.184 ( -2.762 0.000 -5.394) 6.060 ======================= Grid point 108 (40/260) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -21.394 0.000 15.664) 26.515 0.743 ( -23.701 0.000 17.229) 29.301 1.309 ( -36.020 0.000 32.263) 48.356 3.226 ( 3.002 0.000 -0.500) 3.043 3.374 ( -2.111 0.000 -0.247) 2.125 3.604 ( 2.284 0.000 -8.583) 8.882 3.996 ( 1.482 0.000 -2.537) 2.938 4.233 ( 2.369 0.000 0.512) 2.424 4.652 ( -6.140 0.000 14.820) 16.042 4.789 ( -9.613 0.000 1.933) 9.806 5.329 ( 0.965 0.000 2.891) 3.048 5.361 ( 2.375 0.000 4.582) 5.161 6.789 ( -2.790 0.000 6.055) 6.667 7.105 ( -46.036 0.000 -44.550) 64.062 7.714 ( 0.491 0.000 -9.323) 9.336 7.841 ( -2.172 0.000 -5.927) 6.312 8.305 ( 5.347 0.000 3.897) 6.617 8.430 ( -3.579 0.000 10.443) 11.039 9.363 ( -1.232 0.000 -7.174) 7.279 9.411 ( 10.576 0.000 25.316) 27.436 10.592 ( -7.867 0.000 4.634) 9.130 11.302 ( -0.736 0.000 -7.819) 7.853 12.030 ( 10.599 0.000 -9.299) 14.100 12.704 ( -6.374 0.000 -6.243) 8.922 13.218 ( 11.255 0.000 33.647) 35.479 14.908 ( 1.471 0.000 2.754) 3.122 14.982 ( -0.466 0.000 -0.353) 0.585 16.004 ( 5.779 0.000 -10.363) 11.866 18.335 ( 4.656 0.000 -6.257) 7.800 19.042 ( 63.442 0.000 69.611) 94.184 19.616 ( 7.446 0.000 -0.007) 7.447 19.801 ( 6.939 0.000 2.710) 7.449 20.972 ( 3.934 0.000 12.830) 13.419 22.150 ( -82.931 0.000 -99.304) 129.379 23.643 ( -6.342 0.000 -1.081) 6.433 24.148 ( -0.282 0.000 -1.507) 1.533 ======================= Grid point 109 (41/260) ======================= q-point: ( 0.00 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 6.560 20.319 21.340) 30.188 0.874 ( 5.044 23.227 19.167) 30.534 1.377 ( 0.932 25.531 41.488) 48.723 3.288 ( 6.218 -3.878 6.120) 9.548 3.382 ( -1.247 4.053 -2.515) 4.930 3.653 ( 1.294 -0.121 -2.069) 2.443 4.011 ( 1.354 -0.380 -12.083) 12.165 4.208 ( -3.036 -0.707 -0.444) 3.149 4.636 ( -6.139 5.800 9.069) 12.392 4.776 ( 10.639 -7.229 9.488) 15.984 5.395 ( -0.042 1.121 3.093) 3.290 5.528 ( 3.742 7.179 7.085) 10.758 5.799 ( -7.310 5.297 4.424) 10.053 6.872 ( -2.795 8.805 7.686) 12.017 7.859 ( -0.264 3.142 -1.215) 3.379 8.004 ( -0.893 12.923 -24.355) 27.586 8.430 ( -0.345 -2.623 14.283) 14.526 8.455 ( -8.561 10.544 -1.171) 13.632 9.481 ( 7.454 5.514 -4.490) 10.302 9.954 ( 34.334 -20.426 25.886) 47.604 10.461 ( -4.285 -2.403 4.086) 6.389 11.733 ( 8.041 4.699 -18.169) 20.417 12.268 ( 2.551 7.650 -8.310) 11.580 12.665 ( 4.163 6.270 -9.566) 12.172 13.830 ( 25.577 -3.282 -1.672) 25.841 14.899 ( -2.907 -2.390 -2.200) 4.359 15.032 ( 3.474 4.271 3.229) 6.383 15.971 ( 0.428 -7.055 -10.936) 13.021 16.874 ( -61.469 -43.423 41.183) 85.791 19.240 ( -48.493 17.948 -30.802) 60.187 19.656 ( 2.247 -2.942 0.274) 3.713 19.927 ( -2.589 6.489 -0.710) 7.022 20.956 ( -6.782 -0.084 5.939) 9.015 21.605 ( 70.926 -21.597 21.233) 77.121 24.158 ( 2.333 4.750 -4.697) 7.075 24.251 ( 6.761 20.305 -18.597) 28.352 ======================= Grid point 110 (42/260) ======================= q-point: ( 0.10 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 10.581 18.596 15.467) 26.401 1.198 ( 16.317 13.428 23.849) 31.864 1.887 ( 35.575 15.328 33.656) 51.315 3.337 ( -1.188 1.535 -2.928) 3.513 3.470 ( 7.300 -2.041 10.394) 12.864 3.693 ( 3.796 -3.978 -1.146) 5.617 3.962 ( -4.532 1.858 -10.176) 11.294 4.172 ( 0.604 0.263 -1.212) 1.379 4.508 ( -7.481 9.250 5.416) 13.071 4.872 ( -0.226 -5.761 4.185) 7.124 5.396 ( -0.699 -0.024 4.536) 4.589 5.665 ( 3.347 12.164 9.039) 15.520 6.105 ( 25.623 -10.992 -11.381) 30.115 6.830 ( -2.976 8.740 6.745) 11.434 7.822 ( -2.503 3.358 -3.720) 5.602 7.936 ( -1.730 12.941 -13.495) 18.777 8.266 ( -9.831 7.220 -0.260) 12.200 8.456 ( -1.144 -0.363 15.625) 15.671 9.588 ( 3.604 4.252 0.605) 5.607 10.454 ( 4.785 -2.127 0.772) 5.293 10.613 ( 23.177 -28.241 11.924) 38.431 11.892 ( 12.117 -0.338 -17.621) 21.388 12.202 ( -7.038 6.009 -5.491) 10.761 12.782 ( 9.302 6.261 -6.992) 13.214 13.729 ( -38.302 -0.142 31.447) 49.558 14.813 ( -4.315 -4.085 -2.521) 6.454 15.067 ( 0.293 5.445 2.818) 6.138 15.922 ( -4.699 -7.980 -12.510) 15.565 16.180 ( 3.853 -1.308 3.793) 5.563 18.751 ( -3.761 9.752 -3.741) 11.102 19.622 ( -5.806 -0.901 0.216) 5.880 19.854 ( -5.247 5.442 -0.466) 7.574 20.695 ( -18.517 0.684 -0.803) 18.547 22.861 ( 43.717 -42.152 6.297) 61.055 24.118 ( -4.277 2.795 -2.248) 5.582 24.367 ( 6.591 13.201 -15.532) 21.423 ======================= Grid point 111 (43/260) ======================= q-point: ( 0.20 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 19.248 8.752 11.768) 24.198 1.587 ( 17.512 9.540 21.430) 29.273 2.727 ( 40.578 6.837 22.304) 46.806 3.281 ( -4.095 2.374 -2.432) 5.322 3.581 ( 1.292 -1.310 6.367) 6.627 3.780 ( -7.088 0.833 -4.202) 8.282 3.846 ( 6.338 -7.300 3.530) 10.292 4.191 ( 0.336 2.622 -5.356) 5.973 4.423 ( 0.168 11.166 1.514) 11.270 4.880 ( 0.478 -2.409 0.244) 2.468 5.390 ( -0.935 -1.466 5.991) 6.238 5.732 ( 1.621 12.594 8.908) 15.511 6.427 ( 9.956 -10.286 -15.103) 20.809 6.793 ( -2.161 7.778 5.885) 9.989 7.755 ( -3.589 3.930 -2.543) 5.898 7.850 ( -5.033 8.786 -5.937) 11.737 8.070 ( -9.556 8.223 0.297) 12.611 8.465 ( -1.679 2.998 15.068) 15.455 9.664 ( 5.050 0.319 2.678) 5.725 10.583 ( 7.907 0.578 -3.028) 8.486 10.981 ( 13.348 -17.104 6.043) 22.522 11.969 ( -13.688 3.783 -4.552) 14.912 12.117 ( 12.528 2.758 -16.860) 21.186 12.906 ( -7.367 4.283 19.996) 21.736 13.185 ( -6.829 8.908 21.838) 24.554 14.730 ( -3.977 -6.341 -2.605) 7.925 15.076 ( -0.783 5.767 -0.183) 5.822 15.755 ( -8.217 -9.234 -7.919) 14.680 16.562 ( 27.444 -3.590 -19.279) 33.730 18.808 ( 6.136 -0.250 7.922) 10.024 19.426 ( -14.128 -0.826 1.209) 14.203 19.726 ( -7.573 5.770 -0.346) 9.527 20.282 ( -21.036 1.074 -6.450) 22.028 23.466 ( 19.853 -29.140 4.348) 35.527 24.009 ( -4.884 2.809 -3.396) 6.578 24.432 ( 3.142 6.522 -8.040) 10.819 ======================= Grid point 112 (44/260) ======================= q-point: ( 0.30 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 22.053 3.466 9.190) 24.141 1.972 ( 16.772 7.539 17.663) 25.498 3.113 ( -9.033 1.549 0.474) 9.177 3.470 ( -10.734 -1.722 3.527) 11.429 3.559 ( 27.060 1.763 7.310) 28.085 3.669 ( 4.062 3.624 2.545) 6.009 3.955 ( -0.619 -3.950 3.649) 5.413 4.207 ( 6.464 -1.676 -11.620) 13.402 4.538 ( 9.225 10.391 4.833) 14.711 4.872 ( -1.549 -0.996 -2.509) 3.112 5.393 ( -0.261 -2.666 6.763) 7.274 5.763 ( -0.966 11.220 7.774) 13.684 6.478 ( 0.247 -5.218 -12.712) 13.744 6.776 ( -0.806 6.840 5.872) 9.051 7.653 ( -7.180 5.522 2.449) 9.383 7.732 ( -4.806 5.060 -4.677) 8.400 7.910 ( -6.764 11.068 2.823) 13.275 8.453 ( -2.998 4.194 15.598) 16.428 9.822 ( 10.422 -1.213 0.172) 10.494 10.719 ( 6.102 1.918 -2.325) 6.806 11.203 ( 8.592 -7.626 3.286) 11.949 11.656 ( -15.657 5.142 -3.971) 16.952 12.273 ( 4.723 7.969 -16.118) 18.590 12.749 ( -5.731 -0.866 34.100) 34.589 13.423 ( 18.598 1.690 -0.775) 18.691 14.633 ( -5.696 -8.195 -2.607) 10.315 14.988 ( -8.229 6.058 -4.465) 11.152 15.606 ( -4.773 -8.957 -2.145) 10.373 17.063 ( 27.289 -1.584 -18.956) 33.264 18.962 ( 5.580 -2.165 12.182) 13.573 19.103 ( -17.574 -1.369 1.331) 17.678 19.550 ( -11.110 6.847 3.496) 13.511 19.906 ( -13.163 -0.424 -10.805) 17.035 23.666 ( -0.883 -10.862 3.573) 11.468 24.009 ( 7.654 -6.481 -5.100) 11.252 24.455 ( 0.660 2.113 -5.129) 5.586 ======================= Grid point 113 (45/260) ======================= q-point: ( 0.40 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 21.645 1.808 7.741) 23.059 2.300 ( 11.257 5.782 13.645) 18.610 2.899 ( -10.950 4.181 1.834) 11.864 3.163 ( -17.434 1.048 4.775) 18.107 3.614 ( -2.780 2.346 -4.710) 5.951 3.857 ( -2.609 -6.730 -3.349) 7.957 4.249 ( 23.476 3.166 1.264) 23.722 4.337 ( 8.606 -6.228 -8.596) 13.665 4.745 ( 8.493 6.603 4.894) 11.819 4.806 ( -3.373 0.804 1.113) 3.642 5.397 ( -1.593 -1.975 6.266) 6.760 5.708 ( -6.270 9.285 5.528) 12.494 6.452 ( 1.321 -0.803 -8.630) 8.768 6.796 ( 1.301 4.961 8.934) 10.301 7.513 ( -6.756 5.933 4.878) 10.230 7.639 ( -3.824 3.561 -3.485) 6.281 7.829 ( -2.330 15.732 5.636) 16.873 8.433 ( -2.438 3.046 16.699) 17.148 10.035 ( 10.169 0.336 -2.206) 10.411 10.805 ( 2.867 0.898 0.286) 3.018 11.297 ( -7.747 -0.513 4.795) 9.125 11.400 ( -0.667 1.693 -12.016) 12.153 12.227 ( -4.503 12.226 -7.902) 15.238 12.832 ( 4.675 -6.057 19.882) 21.303 13.821 ( 21.423 -3.026 -1.894) 21.718 14.453 ( -13.224 -9.535 -7.330) 17.875 14.792 ( -7.731 6.637 -1.925) 10.369 15.553 ( -1.358 -7.271 0.918) 7.453 17.529 ( 23.412 2.248 -14.140) 27.443 18.795 ( -12.097 0.731 0.139) 12.120 19.020 ( -4.125 0.273 6.404) 7.623 19.307 ( -12.521 2.835 3.530) 13.315 19.789 ( 2.817 -2.517 -1.147) 3.948 23.583 ( -5.347 -2.884 -0.629) 6.108 24.180 ( 8.709 -9.530 -4.977) 13.836 24.428 ( -2.431 -1.064 -4.334) 5.082 ======================= Grid point 114 (46/260) ======================= q-point: (-0.50 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -12.226 4.365 5.024) 13.921 2.590 ( 4.745 7.486 10.346) 13.623 2.775 ( -0.348 -1.815 2.459) 3.076 2.952 ( 3.108 3.460 9.789) 10.838 3.510 ( -5.166 1.399 -11.031) 12.261 3.826 ( 0.125 -4.984 -3.990) 6.386 4.288 ( -8.907 -2.398 -13.722) 16.534 4.541 ( 1.356 -4.260 -9.426) 10.432 4.839 ( 8.593 0.180 11.380) 14.261 4.901 ( 3.735 4.761 6.604) 8.957 5.322 ( -7.265 2.658 4.885) 9.149 5.606 ( -3.045 8.056 3.144) 9.168 6.517 ( 6.298 2.008 -3.465) 7.464 6.869 ( 3.367 1.220 13.318) 13.791 7.439 ( -1.588 4.753 5.425) 7.385 7.575 ( -1.518 3.188 -3.632) 5.066 7.843 ( 1.992 18.870 8.034) 20.606 8.442 ( -0.596 2.135 17.435) 17.576 10.161 ( 2.025 1.858 -2.175) 3.505 10.836 ( -0.042 -0.826 1.980) 2.145 11.023 ( -14.044 0.263 -11.167) 17.944 11.470 ( 4.601 3.903 -4.606) 7.590 12.108 ( -5.435 11.478 -7.823) 14.916 12.947 ( 2.102 -7.163 15.552) 17.251 14.083 ( -20.356 -6.032 -10.699) 23.774 14.230 ( 19.893 -7.358 -2.783) 21.392 14.733 ( 1.362 6.251 2.007) 6.705 15.533 ( -1.001 -6.829 0.484) 6.919 17.894 ( 15.200 6.719 -5.222) 17.420 18.650 ( -3.016 0.823 -4.876) 5.792 18.837 ( -11.540 1.798 0.636) 11.697 19.167 ( -1.731 -0.589 0.688) 1.954 19.953 ( 10.714 -3.444 12.416) 16.757 23.485 ( -3.928 -3.553 -5.207) 7.427 24.300 ( 4.451 -9.092 -7.791) 12.774 24.340 ( -5.340 -0.392 -2.610) 5.957 ======================= Grid point 115 (47/260) ======================= q-point: (-0.40 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -20.328 4.632 4.999) 21.439 2.297 ( -22.440 8.495 7.228) 25.059 3.036 ( 13.106 -2.231 5.291) 14.308 3.171 ( 11.533 0.864 6.171) 13.109 3.395 ( -2.373 2.112 -11.585) 12.012 3.794 ( -8.759 -4.846 -8.283) 12.993 3.925 ( -16.753 2.436 -8.958) 19.153 4.489 ( -3.817 -0.986 -7.235) 8.239 4.839 ( -7.248 0.990 12.418) 14.413 5.040 ( 4.069 -1.877 6.202) 7.651 5.235 ( -0.921 5.945 2.779) 6.627 5.585 ( -0.907 9.422 1.100) 9.529 6.653 ( 7.095 2.985 0.902) 7.750 6.979 ( 4.180 -2.656 15.373) 16.151 7.472 ( 2.991 0.378 4.354) 5.296 7.581 ( 3.680 4.194 -4.690) 7.289 7.936 ( 5.270 17.971 9.462) 20.983 8.491 ( 1.424 2.877 17.428) 17.721 10.081 ( -9.702 0.243 -0.476) 9.716 10.649 ( -16.502 -2.578 -19.824) 25.922 10.879 ( -0.443 2.329 1.419) 2.763 11.542 ( 4.151 9.574 -5.101) 11.615 11.983 ( -4.942 9.003 -10.393) 14.611 12.980 ( -2.185 -8.520 15.618) 17.925 13.661 ( -19.186 -1.437 -9.737) 21.563 14.549 ( 12.200 -9.075 -0.131) 15.206 14.839 ( 8.339 6.545 -0.493) 10.612 15.527 ( 1.197 -7.459 -1.043) 7.626 18.048 ( -1.815 6.608 9.553) 11.756 18.542 ( -3.994 -0.215 -14.113) 14.669 18.790 ( 7.362 -0.635 0.533) 7.408 19.244 ( 9.146 1.971 -0.245) 9.360 20.220 ( 12.184 -2.868 18.506) 22.342 23.386 ( -4.882 -8.992 -13.122) 16.640 24.195 ( -7.300 -4.153 -3.078) 8.945 24.345 ( 1.285 -0.312 -7.464) 7.580 ======================= Grid point 116 (48/260) ======================= q-point: (-0.30 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -21.865 5.708 8.108) 24.008 1.843 ( -25.039 8.996 5.887) 27.250 3.054 ( -25.404 3.461 -2.482) 25.758 3.236 ( -2.264 -2.952 -8.970) 9.710 3.381 ( -3.678 0.942 -0.209) 3.803 3.511 ( 9.463 5.630 -1.230) 11.079 3.857 ( 0.506 -1.816 -1.660) 2.512 4.376 ( -5.080 4.016 -6.669) 9.296 4.737 ( -5.127 -2.580 13.546) 14.711 5.048 ( -4.075 -1.593 7.062) 8.307 5.268 ( 2.613 4.386 1.628) 5.358 5.551 ( -2.567 11.582 0.066) 11.863 6.774 ( 4.127 3.608 4.366) 7.008 7.076 ( 0.939 -9.680 13.983) 17.032 7.554 ( 5.215 -0.720 0.468) 5.285 7.700 ( 8.613 3.485 -4.438) 10.296 8.082 ( 6.875 13.226 10.331) 18.136 8.575 ( 3.213 5.724 15.844) 17.150 9.816 ( -15.672 -0.927 -0.355) 15.704 10.226 ( -20.623 -2.587 -28.773) 35.495 10.854 ( -3.400 2.910 2.510) 5.131 11.618 ( 5.005 18.677 -8.035) 20.939 11.880 ( -2.179 3.670 -11.230) 12.014 12.934 ( -6.173 -9.795 12.665) 17.160 13.325 ( -12.290 4.059 -2.497) 13.181 14.730 ( 6.847 -4.688 3.389) 8.963 14.977 ( 4.330 3.336 -3.248) 6.359 15.609 ( 8.043 -8.409 -4.078) 12.330 17.901 ( -12.979 -8.787 16.257) 22.582 18.527 ( 4.872 10.178 -6.727) 13.137 19.040 ( 16.233 -2.963 -1.383) 16.559 19.478 ( 13.320 5.048 -0.458) 14.252 20.504 ( 12.024 -1.779 20.396) 23.744 23.180 ( -13.242 -20.285 -25.606) 35.249 24.065 ( -4.669 1.349 -0.731) 4.915 24.329 ( -0.768 4.073 -8.942) 9.856 ======================= Grid point 117 (49/260) ======================= q-point: (-0.20 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -20.087 8.786 13.911) 25.965 1.346 ( -26.369 9.645 4.519) 28.439 2.334 ( -39.794 16.538 5.790) 43.481 3.180 ( -0.730 -3.149 -6.964) 7.678 3.420 ( 1.469 2.038 2.751) 3.725 3.637 ( 3.373 5.799 -8.336) 10.700 3.888 ( 2.721 -5.584 1.631) 6.422 4.291 ( -2.002 5.168 -4.814) 7.341 4.697 ( -2.875 -1.244 14.793) 15.122 4.935 ( -8.330 -1.851 5.155) 9.970 5.325 ( 2.573 2.651 1.951) 4.178 5.503 ( -1.817 12.987 0.705) 13.132 6.815 ( -2.798 -1.911 4.061) 5.289 7.018 ( -10.273 -17.563 9.535) 22.470 7.692 ( 8.201 3.823 -0.129) 9.049 7.866 ( 9.417 2.952 -7.754) 12.551 8.236 ( 5.747 5.602 11.084) 13.685 8.678 ( 3.254 9.765 10.201) 14.491 9.528 ( -11.393 0.495 -3.620) 11.964 9.722 ( -22.563 0.909 -25.603) 34.138 10.748 ( -7.718 1.395 3.378) 8.540 11.663 ( 1.691 20.023 -15.408) 25.322 11.912 ( 8.677 5.844 -8.223) 13.306 12.798 ( -8.142 -5.717 1.223) 10.024 13.198 ( -1.988 6.334 13.423) 14.975 14.854 ( 4.943 -0.950 4.399) 6.685 14.994 ( -0.965 0.883 -2.746) 3.042 15.788 ( 10.164 -8.006 -7.752) 15.084 17.694 ( -11.725 -25.885 20.897) 35.273 18.733 ( 17.672 16.483 9.355) 25.913 19.354 ( 14.875 -2.040 -2.104) 15.161 19.723 ( 10.899 6.645 0.869) 12.794 20.774 ( 10.244 -1.055 18.453) 21.132 22.679 ( -32.128 -32.616 -40.392) 61.053 24.021 ( 0.503 7.864 -3.164) 8.492 24.284 ( -1.368 8.490 -9.262) 12.639 ======================= Grid point 118 (50/260) ======================= q-point: (-0.10 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -18.908 15.713 9.890) 26.500 0.908 ( -11.453 14.624 21.493) 28.407 1.646 ( -30.813 27.444 23.103) 47.290 3.189 ( 2.738 -3.569 -0.337) 4.511 3.420 ( -1.461 4.295 0.046) 4.537 3.647 ( 0.519 2.983 -6.193) 6.893 3.959 ( 4.669 -4.453 -4.716) 7.992 4.256 ( -1.447 3.606 -2.558) 4.652 4.662 ( -4.239 0.687 14.778) 15.390 4.776 ( -7.568 -0.213 3.781) 8.462 5.371 ( 1.601 1.891 1.708) 3.009 5.499 ( 0.747 12.226 3.539) 12.750 6.407 ( -38.823 -26.635 -3.884) 47.241 6.904 ( -2.752 6.877 8.913) 11.589 7.824 ( 4.260 3.583 0.104) 5.567 8.015 ( 6.962 7.173 -19.448) 21.867 8.353 ( 3.787 -0.856 12.121) 12.728 8.657 ( -7.867 12.580 -7.226) 16.503 9.384 ( -0.934 2.893 -1.238) 3.283 9.463 ( 5.143 4.303 10.106) 12.128 10.588 ( -8.748 -0.575 4.724) 9.959 11.663 ( 3.343 10.996 -17.693) 21.098 12.126 ( 12.961 13.121 -11.298) 21.628 12.672 ( -3.156 1.207 -5.898) 6.797 13.332 ( 14.010 8.192 18.362) 24.507 14.946 ( 1.849 3.376 2.030) 4.352 14.956 ( -0.209 -2.353 0.037) 2.362 15.933 ( 6.087 -7.043 -10.197) 13.807 17.504 ( -16.645 -46.551 29.069) 57.350 19.332 ( 36.064 6.768 18.437) 41.065 19.598 ( 11.254 2.182 -2.117) 11.657 19.903 ( 7.582 7.114 6.013) 12.011 20.948 ( 1.939 -1.958 10.878) 11.222 21.646 ( -59.312 -24.604 -46.057) 79.022 24.065 ( 5.471 13.072 -9.470) 17.043 24.243 ( -0.505 11.821 -9.060) 14.902 ======================= Grid point 119 (51/260) ======================= q-point: ( 0.00 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 5.105 20.498 17.585) 27.486 1.321 ( 3.283 22.660 17.469) 28.799 2.049 ( -2.245 35.033 17.939) 39.422 3.167 ( 5.939 -7.803 6.515) 11.774 3.493 ( -2.298 5.095 -2.820) 6.260 3.561 ( -2.208 -7.816 2.644) 8.542 4.041 ( 5.848 3.983 -10.843) 12.948 4.266 ( -4.722 4.565 -1.769) 6.802 4.673 ( 1.250 -0.704 9.645) 9.752 4.769 ( -1.387 4.527 5.944) 7.599 5.389 ( -0.829 -2.289 0.714) 2.537 5.594 ( 1.907 -0.098 6.710) 6.977 6.026 ( -0.733 13.875 1.488) 13.974 7.107 ( -1.245 12.908 7.293) 14.878 7.957 ( -1.604 6.180 -0.498) 6.404 8.201 ( 3.128 8.524 -18.138) 20.284 8.367 ( 0.537 -3.085 13.778) 14.130 8.649 ( -8.551 7.649 1.876) 11.625 9.616 ( 8.271 6.945 -2.708) 11.134 9.768 ( 16.238 0.079 20.267) 25.970 10.380 ( -5.992 -5.628 2.554) 8.608 11.536 ( 2.864 -17.383 -4.536) 18.192 12.407 ( -1.251 7.402 -0.375) 7.516 12.879 ( 4.365 10.773 -13.076) 17.496 13.775 ( 11.314 -1.898 -5.653) 12.790 14.837 ( -3.499 -3.537 -3.691) 6.195 15.110 ( 4.460 1.527 1.539) 4.959 15.751 ( -0.421 -13.646 -10.358) 17.137 16.315 ( -24.691 -15.866 23.005) 37.291 19.435 ( -28.004 4.806 -28.795) 40.453 19.591 ( 4.265 -2.998 -0.294) 5.222 20.071 ( -1.554 7.040 -2.179) 7.532 20.954 ( -4.251 -0.159 7.648) 8.752 21.297 ( 33.501 -11.067 17.114) 39.213 24.234 ( 0.275 3.986 -1.635) 4.317 24.477 ( 2.864 4.345 -8.623) 10.072 ======================= Grid point 120 (52/260) ======================= q-point: ( 0.10 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 4.128 21.195 14.160) 25.823 1.518 ( 12.146 16.509 19.547) 28.323 2.319 ( 23.207 24.393 18.129) 38.239 3.313 ( 5.316 -6.358 7.953) 11.486 3.476 ( 2.387 5.306 -0.418) 5.833 3.543 ( 0.479 -10.089 -0.098) 10.101 4.005 ( -7.150 1.929 -7.980) 10.886 4.258 ( 4.157 7.242 -1.876) 8.558 4.679 ( -3.706 5.351 6.168) 8.967 4.778 ( 1.615 -1.211 3.765) 4.272 5.393 ( 0.310 -1.258 1.833) 2.244 5.794 ( 12.423 -2.786 4.912) 13.646 6.071 ( 5.477 9.092 -1.069) 10.668 7.079 ( -3.213 14.019 7.723) 16.325 7.903 ( -2.671 4.286 -3.507) 6.149 8.202 ( -1.421 14.570 -7.291) 16.355 8.385 ( -1.493 -0.336 4.739) 4.980 8.510 ( -4.878 8.916 7.909) 12.878 9.669 ( -1.907 2.607 1.726) 3.662 10.256 ( 24.805 -6.497 21.999) 33.786 10.392 ( 7.127 -4.801 -3.620) 9.324 11.651 ( 9.338 -18.080 -2.777) 20.537 12.333 ( -6.012 7.546 -1.712) 9.799 12.970 ( 7.579 9.080 -9.858) 15.397 13.734 ( -16.034 0.612 6.838) 17.443 14.732 ( -6.005 -3.642 -5.162) 8.716 15.163 ( 0.883 2.163 3.826) 4.483 15.660 ( -6.130 -15.240 -10.695) 19.601 16.137 ( 6.880 -2.684 1.841) 7.611 18.915 ( -14.075 5.630 -14.813) 21.195 19.602 ( -4.025 -0.896 -1.741) 4.476 19.994 ( -5.485 7.556 -2.690) 9.716 20.715 ( -17.979 1.188 2.272) 18.161 22.163 ( 40.873 -26.484 14.361) 50.777 24.192 ( -4.053 4.229 -1.748) 6.113 24.504 ( 1.419 2.259 -6.390) 6.924 ======================= Grid point 121 (53/260) ======================= q-point: ( 0.20 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 10.665 15.113 11.196) 21.621 1.837 ( 15.545 13.898 15.271) 25.846 2.882 ( 25.938 6.921 12.835) 29.756 3.358 ( 0.174 1.394 3.741) 3.997 3.528 ( 0.196 -1.894 4.194) 4.606 3.671 ( 12.012 -5.688 1.302) 13.354 3.813 ( -9.413 0.685 -4.378) 10.404 4.310 ( 0.155 8.241 -5.367) 9.836 4.636 ( 0.140 8.108 4.490) 9.269 4.817 ( 1.421 -3.033 0.749) 3.432 5.400 ( -0.042 1.519 3.174) 3.519 5.941 ( 1.753 4.254 5.645) 7.282 6.239 ( 10.178 -4.023 -7.385) 13.203 7.024 ( -4.147 12.865 8.528) 15.982 7.841 ( -3.131 4.138 -3.027) 6.007 8.106 ( -6.761 16.472 1.561) 17.874 8.304 ( -5.109 12.978 0.539) 13.958 8.517 ( 0.262 2.213 10.234) 10.474 9.645 ( 1.357 -2.537 1.819) 3.404 10.573 ( 10.676 -2.000 -6.555) 12.686 10.755 ( 20.181 -4.569 18.985) 28.082 11.847 ( 8.580 -14.527 -5.665) 17.797 12.185 ( -6.287 7.295 -0.739) 9.658 13.091 ( 2.176 8.660 -5.179) 10.323 13.371 ( -14.513 9.541 16.046) 23.646 14.598 ( -6.336 -6.168 -5.376) 10.349 15.191 ( 0.402 4.261 2.520) 4.967 15.479 ( -8.935 -15.982 -7.948) 19.961 16.491 ( 26.699 -2.888 -13.873) 30.227 18.787 ( 1.056 -1.764 -2.587) 3.305 19.424 ( -13.503 0.737 0.304) 13.526 19.859 ( -7.160 6.440 -3.705) 10.318 20.318 ( -21.386 2.511 -0.618) 21.542 22.862 ( 27.609 -27.695 8.826) 40.090 24.080 ( -6.353 3.937 -3.369) 8.198 24.503 ( -0.244 0.883 -3.697) 3.809 ======================= Grid point 122 (54/260) ======================= q-point: ( 0.30 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 16.844 7.717 7.432) 19.963 2.179 ( 15.683 11.847 11.461) 22.752 3.139 ( -2.056 0.323 0.971) 2.296 3.368 ( -8.396 -8.383 6.892) 13.721 3.579 ( 5.789 -0.189 1.330) 5.943 3.716 ( 3.775 -1.279 -1.050) 4.122 3.948 ( 15.277 5.848 6.609) 17.643 4.255 ( -1.043 6.005 -11.344) 12.878 4.721 ( 5.871 5.368 4.398) 9.090 4.825 ( -0.556 -2.673 -0.501) 2.775 5.412 ( 0.557 4.035 4.420) 6.011 5.936 ( -3.254 3.825 4.780) 6.933 6.376 ( 5.952 -2.367 -8.641) 10.756 6.962 ( -3.970 9.841 9.241) 14.071 7.759 ( -4.630 4.157 -1.073) 6.314 7.970 ( -7.326 19.149 3.366) 20.777 8.237 ( -1.697 18.813 3.392) 19.192 8.505 ( -3.883 0.333 12.055) 12.669 9.773 ( 11.260 -3.628 -1.854) 11.975 10.737 ( 6.874 -0.833 -5.559) 8.880 11.124 ( 13.259 -0.084 16.102) 20.859 11.764 ( -11.991 4.560 -12.292) 17.768 12.258 ( 10.232 -6.101 0.188) 11.914 12.909 ( -13.116 13.402 14.307) 23.587 13.447 ( 12.015 0.423 0.544) 12.034 14.447 ( -8.213 -9.721 -5.338) 13.801 15.111 ( -8.678 5.434 -5.062) 11.421 15.361 ( -1.275 -13.493 1.169) 13.603 17.033 ( 30.857 -1.066 -17.674) 35.576 18.873 ( 5.709 -5.860 3.498) 8.897 19.117 ( -16.140 2.412 1.287) 16.370 19.700 ( -9.207 6.109 1.620) 11.168 19.909 ( -18.376 1.637 -4.498) 18.990 23.306 ( 15.969 -21.490 6.660) 27.589 23.947 ( -5.190 -0.465 -7.198) 8.886 24.480 ( -1.404 0.336 -2.081) 2.533 ======================= Grid point 123 (55/260) ======================= q-point: ( 0.40 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 18.991 1.719 4.278) 19.542 2.478 ( 11.062 10.912 6.947) 17.020 3.015 ( -8.259 6.218 3.282) 10.846 3.116 ( -15.527 -6.046 5.380) 17.509 3.649 ( 3.005 -5.352 -0.444) 6.154 3.716 ( -5.655 -0.611 -5.634) 8.006 4.228 ( 6.442 -2.749 -10.334) 12.484 4.362 ( 14.622 6.963 1.187) 16.239 4.746 ( -1.548 -4.326 -5.881) 7.463 4.898 ( 5.751 4.554 11.818) 13.910 5.439 ( 0.846 5.813 4.679) 7.510 5.835 ( -7.473 2.389 3.812) 8.723 6.470 ( 6.108 3.402 -5.801) 9.084 6.918 ( -2.615 6.170 10.003) 12.040 7.666 ( -4.417 4.720 0.127) 6.466 7.840 ( -6.393 20.133 2.823) 21.312 8.252 ( 1.580 22.748 6.132) 23.613 8.452 ( -3.794 -1.472 14.406) 14.970 10.027 ( 13.476 -1.493 -4.698) 14.349 10.810 ( 1.646 -0.859 -2.087) 2.794 11.300 ( -3.758 0.872 7.493) 8.428 11.530 ( -2.070 10.848 -9.690) 14.692 12.393 ( 1.938 -0.919 -7.704) 7.997 12.778 ( -3.423 5.178 18.794) 19.793 13.714 ( 14.374 -7.546 -0.601) 16.246 14.234 ( -12.151 -11.389 -7.410) 18.228 14.934 ( -5.984 7.081 -3.697) 9.981 15.363 ( -0.184 -10.143 2.650) 10.485 17.589 ( 28.995 3.417 -16.410) 33.492 18.817 ( -10.916 1.529 0.847) 11.055 19.003 ( 2.679 -2.230 2.323) 4.189 19.412 ( -20.557 7.242 7.721) 23.122 19.715 ( 0.431 -4.457 -1.818) 4.833 23.497 ( 1.242 -6.073 3.713) 7.226 23.888 ( 2.446 -15.907 -10.126) 19.014 24.441 ( -2.034 1.422 -1.319) 2.810 ======================= Grid point 124 (56/260) ======================= q-point: (-0.50 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -9.445 7.979 -0.315) 12.368 2.652 ( 15.792 -0.143 2.631) 16.010 2.805 ( -16.391 2.539 4.739) 17.250 2.995 ( 5.722 2.122 10.784) 12.391 3.556 ( -6.876 0.174 -9.877) 12.036 3.709 ( 3.059 -3.373 -2.788) 5.339 4.210 ( -5.862 -4.906 -11.991) 14.220 4.478 ( -0.951 -1.618 -12.200) 12.344 4.846 ( 9.792 0.667 9.750) 13.835 4.990 ( -0.462 3.069 10.272) 10.731 5.443 ( -2.138 8.533 3.310) 9.399 5.722 ( -2.796 2.432 3.288) 4.954 6.598 ( 7.548 6.190 -1.458) 9.870 6.907 ( -1.162 2.259 11.545) 11.821 7.598 ( -2.275 5.385 -0.018) 5.846 7.746 ( -3.191 17.803 0.849) 18.107 8.308 ( 1.958 24.436 9.178) 26.176 8.444 ( -0.160 -2.045 14.919) 15.059 10.192 ( 2.310 0.329 -5.680) 6.141 10.822 ( -0.017 -0.575 1.444) 1.555 11.051 ( -13.866 2.552 -11.741) 18.348 11.636 ( 7.822 12.318 2.717) 14.842 12.317 ( -5.822 4.983 -9.980) 12.583 12.803 ( -0.293 -3.531 15.565) 15.963 13.891 ( -9.694 -12.640 -3.763) 16.368 14.050 ( 9.522 -9.381 -6.147) 14.713 14.894 ( 2.193 8.806 -0.725) 9.104 15.353 ( -1.300 -9.838 1.661) 10.061 18.072 ( 22.328 9.830 -9.474) 26.171 18.641 ( -8.014 -1.013 -4.563) 9.277 18.941 ( -14.348 7.723 5.448) 17.181 19.137 ( 0.259 -2.424 -0.203) 2.446 19.849 ( 10.517 -6.519 11.472) 16.873 23.403 ( -8.802 -4.212 -7.012) 12.016 23.965 ( 5.248 -18.981 -5.047) 20.329 24.402 ( -1.333 3.165 -1.749) 3.854 ======================= Grid point 125 (57/260) ======================= q-point: (-0.40 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -18.744 10.852 3.090) 21.878 2.440 ( -20.209 4.573 1.681) 20.788 2.978 ( 13.345 -3.020 1.160) 13.732 3.155 ( 5.451 -1.102 5.471) 7.802 3.451 ( -0.496 0.156 -7.926) 7.943 3.702 ( -5.389 -2.410 -6.302) 8.635 3.997 ( -9.582 4.612 -6.868) 12.659 4.428 ( -0.450 -4.901 -10.741) 11.814 4.885 ( -9.700 3.518 12.206) 15.983 5.032 ( 3.864 0.996 7.781) 8.745 5.400 ( -1.890 9.371 3.212) 10.085 5.739 ( 2.188 4.058 0.828) 4.684 6.749 ( 7.355 6.291 2.298) 9.948 6.905 ( -2.801 -3.712 12.768) 13.588 7.590 ( 2.116 6.948 -1.050) 7.338 7.727 ( 1.381 12.356 -1.438) 12.516 8.358 ( 0.507 21.646 12.417) 24.960 8.519 ( 4.443 0.252 12.551) 13.316 10.072 ( -11.888 -1.548 -3.254) 12.422 10.635 ( -16.714 1.419 -15.472) 22.820 10.937 ( 1.551 3.346 -0.173) 3.692 11.804 ( 8.946 15.471 1.696) 17.952 12.150 ( -8.385 3.559 -11.018) 14.296 12.811 ( -1.727 -4.750 11.179) 12.268 13.604 ( -13.544 -4.066 -6.958) 15.760 14.319 ( 14.455 -13.463 -0.775) 19.769 14.984 ( 5.869 7.300 -1.689) 9.518 15.333 ( -0.156 -10.190 0.928) 10.233 18.200 ( -17.883 6.512 10.029) 21.512 18.582 ( 10.657 5.644 -12.844) 17.618 18.762 ( 1.088 -2.358 -1.103) 2.822 19.298 ( 13.264 3.153 -0.261) 13.636 20.130 ( 13.731 -5.864 17.930) 23.333 23.142 ( -15.107 -14.072 -16.684) 26.544 24.038 ( 2.858 -8.588 -0.582) 9.070 24.387 ( 0.484 2.786 -3.875) 4.797 ======================= Grid point 126 (58/260) ======================= q-point: (-0.30 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -18.593 13.937 6.823) 24.217 2.018 ( -22.526 8.015 -0.164) 23.910 3.084 ( -4.313 -2.951 -3.507) 6.294 3.192 ( -6.731 0.638 -0.408) 6.774 3.407 ( -1.357 -0.417 -4.712) 4.921 3.618 ( 5.712 4.071 -0.300) 7.021 3.860 ( -5.639 3.840 -2.720) 7.345 4.424 ( 1.743 -1.045 -7.822) 8.081 4.721 ( -7.613 2.609 10.986) 13.618 5.046 ( -4.303 1.311 8.565) 9.675 5.386 ( -0.414 6.574 2.380) 7.004 5.766 ( 0.341 7.224 -0.663) 7.263 6.803 ( -9.225 -8.418 7.486) 14.560 6.903 ( 5.310 3.226 8.158) 10.254 7.687 ( 7.693 9.465 -1.012) 12.239 7.790 ( 5.497 6.188 -3.739) 9.082 8.384 ( -0.925 15.856 13.202) 20.653 8.661 ( 6.808 2.813 9.796) 12.257 9.786 ( -14.972 -2.146 -1.760) 15.227 10.230 ( -19.679 3.369 -18.946) 27.524 10.921 ( -4.324 3.251 1.419) 5.593 11.914 ( -7.277 -2.109 -10.171) 12.683 12.032 ( 8.504 18.489 -1.006) 20.376 12.805 ( -0.240 0.206 3.655) 3.668 13.371 ( -8.365 0.362 -2.402) 8.710 14.585 ( 12.148 -9.778 2.061) 15.730 15.051 ( 0.677 2.562 -4.101) 4.882 15.396 ( 6.987 -10.149 -0.839) 12.350 17.747 ( -26.645 -5.546 12.766) 30.061 18.683 ( 6.072 2.440 -4.184) 7.767 19.037 ( 19.793 5.109 -2.363) 20.578 19.591 ( 15.317 5.277 -0.817) 16.221 20.449 ( 13.866 -3.573 20.523) 25.024 22.717 ( -23.821 -22.643 -24.738) 41.136 24.084 ( 2.043 0.706 0.768) 2.294 24.399 ( 1.677 2.263 -5.854) 6.497 ======================= Grid point 127 (59/260) ======================= q-point: (-0.20 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -14.771 18.620 10.944) 26.166 1.582 ( -20.629 13.007 0.435) 24.391 2.724 ( -25.691 18.397 6.984) 32.361 3.086 ( -1.567 -5.695 -5.892) 8.344 3.491 ( 4.821 4.233 1.205) 6.528 3.728 ( -5.392 -6.601 2.259) 8.818 3.770 ( 6.777 4.144 -6.575) 10.312 4.414 ( -1.366 5.840 -6.604) 8.921 4.680 ( 0.120 0.068 11.822) 11.823 4.924 ( -9.094 0.863 6.925) 11.463 5.388 ( 0.077 2.977 1.469) 3.321 5.753 ( -1.518 8.312 -0.383) 8.458 6.532 ( -19.046 -12.760 4.998) 23.464 7.018 ( 4.065 6.622 7.239) 10.619 7.845 ( 6.870 9.770 -0.039) 11.944 7.934 ( 10.681 2.879 -5.322) 12.276 8.377 ( -2.674 8.809 10.247) 13.775 8.798 ( 3.797 2.926 7.441) 8.851 9.538 ( -7.985 0.333 -3.602) 8.766 9.809 ( -17.867 7.627 -12.234) 22.958 10.777 ( -10.223 1.045 2.497) 10.576 11.709 ( -8.712 -9.423 -9.461) 15.944 12.242 ( 10.159 16.635 -1.072) 19.522 12.822 ( 2.560 9.408 -9.952) 13.932 13.295 ( 1.301 2.748 5.582) 6.356 14.795 ( 8.241 -4.969 3.989) 10.417 15.017 ( -2.026 -0.175 -4.239) 4.702 15.566 ( 9.694 -11.695 -4.993) 15.990 17.260 ( -26.134 -15.651 17.458) 35.110 18.900 ( 16.909 0.216 1.761) 17.002 19.408 ( 17.713 7.810 -0.762) 19.374 19.861 ( 11.666 6.060 0.360) 13.151 20.748 ( 11.005 -1.328 19.033) 22.026 22.073 ( -35.280 -24.936 -30.337) 52.790 24.132 ( 3.017 4.406 -0.741) 5.391 24.421 ( 1.940 3.717 -6.835) 8.019 ======================= Grid point 128 (60/260) ======================= q-point: (-0.10 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -9.132 19.533 11.097) 24.250 1.309 ( -6.494 23.437 12.337) 27.271 2.268 ( -21.071 30.232 14.111) 39.459 3.080 ( 1.894 -6.867 0.221) 7.127 3.536 ( -0.619 6.102 0.451) 6.150 3.620 ( -4.789 -7.185 3.059) 9.161 3.911 ( 8.718 2.213 -10.404) 13.753 4.357 ( -3.222 5.365 -3.852) 7.349 4.696 ( -3.965 2.928 11.822) 12.809 4.783 ( -3.512 0.471 4.869) 6.022 5.395 ( 0.288 -0.135 0.879) 0.934 5.684 ( -6.780 1.660 2.311) 7.353 6.159 ( -15.447 1.768 2.462) 15.741 7.089 ( 1.447 9.902 7.209) 12.333 7.942 ( 3.078 7.843 0.143) 8.426 8.137 ( 9.149 4.897 -9.753) 14.241 8.338 ( -2.114 0.046 7.676) 7.962 8.795 ( -5.444 3.358 3.254) 7.176 9.485 ( 2.567 5.694 -5.480) 8.309 9.584 ( -1.070 8.396 7.061) 11.023 10.561 ( -11.654 -2.251 3.894) 12.492 11.561 ( -3.915 -14.347 -7.052) 16.459 12.382 ( 4.011 9.848 -0.082) 10.633 12.846 ( 2.941 12.408 -16.488) 20.844 13.474 ( 15.093 4.986 1.827) 16.000 14.890 ( -0.463 -3.887 -0.043) 3.915 15.012 ( 3.820 1.190 -0.258) 4.009 15.714 ( 6.187 -13.176 -8.436) 16.825 16.792 ( -26.837 -22.949 23.520) 42.427 19.312 ( 20.897 -4.413 -0.313) 21.360 19.711 ( 10.655 6.363 -3.109) 12.794 20.040 ( 5.994 5.876 3.023) 8.921 20.906 ( -0.867 -1.862 7.832) 8.097 21.295 ( -28.313 -11.776 -16.154) 34.658 24.196 ( 3.466 4.559 -2.063) 6.087 24.444 ( 2.291 5.211 -7.960) 9.786 ======================= Grid point 129 (61/260) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 4.040 18.522 13.758) 23.424 1.791 ( -0.106 21.692 13.298) 25.444 2.688 ( -0.615 23.759 4.819) 24.251 2.981 ( 4.544 -9.233 7.458) 12.709 3.297 ( -3.538 -13.260 5.180) 14.669 3.671 ( -1.544 9.274 -0.362) 9.409 4.110 ( 3.273 1.493 -5.724) 6.760 4.389 ( -2.403 7.389 -1.777) 7.970 4.692 ( -1.967 2.048 4.964) 5.719 4.843 ( 1.109 2.231 6.017) 6.512 5.303 ( -0.389 -5.557 -1.318) 5.724 5.554 ( 1.605 -3.420 6.637) 7.637 6.271 ( -0.352 8.925 -1.450) 9.049 7.367 ( 0.977 11.900 7.915) 14.325 8.083 ( -4.020 4.407 1.190) 6.083 8.240 ( -0.028 -4.836 -2.699) 5.538 8.452 ( 9.819 11.068 3.379) 15.177 8.802 ( -5.548 8.623 6.025) 11.892 9.723 ( 6.745 3.101 -2.981) 8.000 9.916 ( 9.508 12.474 14.800) 21.565 10.227 ( -8.909 -8.480 0.917) 12.334 11.130 ( 1.301 -20.749 0.315) 20.792 12.614 ( -1.823 12.376 -0.497) 12.519 13.054 ( 2.193 6.107 -8.599) 10.772 13.755 ( 6.904 -0.032 -5.360) 8.741 14.758 ( -3.211 -4.155 -3.950) 6.571 14.981 ( 3.809 -14.820 -1.306) 15.357 15.545 ( 0.202 -3.514 -7.478) 8.265 16.103 ( -13.522 -6.354 12.051) 19.194 19.495 ( -11.241 1.151 -30.535) 32.559 19.545 ( -4.726 -1.083 -0.135) 4.850 20.207 ( 0.817 5.952 -5.669) 8.260 20.947 ( 1.452 -0.610 10.874) 10.988 21.107 ( 14.876 -7.363 16.263) 23.238 24.320 ( 0.309 4.131 -1.322) 4.348 24.510 ( 0.823 -0.353 -3.200) 3.323 ======================= Grid point 130 (62/260) ======================= q-point: ( 0.10 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 1.844 19.406 12.037) 22.910 1.860 ( 9.971 16.331 15.380) 24.549 2.786 ( 8.957 18.641 4.069) 21.078 3.129 ( 7.680 -10.353 9.512) 16.020 3.277 ( 0.640 -14.072 2.127) 14.247 3.672 ( 2.493 11.410 1.225) 11.743 4.040 ( -7.971 2.180 -3.005) 8.793 4.420 ( 4.904 7.386 -3.133) 9.404 4.700 ( 1.016 -0.094 1.332) 1.678 4.830 ( -3.542 1.995 5.706) 7.006 5.343 ( 4.070 -2.736 0.400) 4.921 5.689 ( 9.276 -5.999 5.198) 12.209 6.268 ( 0.462 7.749 -1.724) 7.952 7.358 ( -3.921 12.289 9.883) 16.250 7.992 ( -3.448 4.201 -2.173) 5.853 8.302 ( 3.501 -6.488 5.290) 9.073 8.577 ( 1.928 21.256 0.177) 21.344 8.728 ( -2.875 10.353 7.398) 13.046 9.679 ( -8.685 -1.571 2.010) 9.052 10.226 ( 13.787 -6.220 9.810) 18.028 10.308 ( 18.152 4.840 3.834) 19.173 11.247 ( 10.017 -19.884 2.144) 22.368 12.541 ( -5.143 12.403 -2.459) 13.650 13.108 ( 4.802 4.114 -6.901) 9.360 13.755 ( -6.362 1.604 0.839) 6.615 14.653 ( -6.811 -4.838 -6.748) 10.740 15.025 ( 1.341 -15.221 1.383) 15.342 15.474 ( -5.064 -0.945 -7.027) 8.713 16.081 ( 10.137 -2.509 -0.458) 10.453 18.992 ( -18.388 2.229 -18.213) 25.977 19.589 ( -1.890 -0.433 -4.700) 5.084 20.146 ( -5.539 6.664 -6.907) 11.082 20.744 ( -16.941 1.603 6.142) 18.091 21.724 ( 33.189 -16.624 16.288) 40.536 24.285 ( -3.734 4.606 -1.299) 6.070 24.507 ( -0.323 -1.465 -2.706) 3.094 ======================= Grid point 131 (63/260) ======================= q-point: ( 0.20 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 4.634 16.893 9.793) 20.069 2.129 ( 13.481 13.655 11.554) 22.398 2.995 ( 9.629 4.178 1.737) 10.639 3.229 ( -1.078 -10.237 8.364) 13.263 3.368 ( 8.459 -11.721 -2.284) 14.634 3.780 ( 1.310 1.868 3.773) 4.410 3.886 ( 0.646 15.098 2.389) 15.299 4.489 ( 1.235 8.083 -6.424) 10.399 4.713 ( 0.314 -0.220 -2.597) 2.626 4.775 ( -1.760 -1.877 5.993) 6.522 5.436 ( 4.630 2.131 1.821) 5.413 5.866 ( 5.878 -7.581 3.548) 10.228 6.297 ( 3.640 5.525 -2.421) 7.046 7.269 ( -7.107 10.263 10.759) 16.480 7.929 ( -3.300 4.396 -0.796) 5.554 8.367 ( 1.154 -2.744 11.312) 11.697 8.552 ( -3.239 21.546 -4.901) 22.332 8.711 ( -1.581 15.647 9.919) 18.593 9.561 ( -0.957 -5.458 -0.258) 5.547 10.477 ( 11.817 -8.059 -4.818) 15.093 10.766 ( 21.698 5.131 18.308) 28.850 11.505 ( 14.435 -16.769 1.607) 22.185 12.408 ( -7.364 13.511 -3.118) 15.700 13.182 ( 2.661 0.256 -5.466) 6.084 13.565 ( -11.105 8.899 6.912) 15.821 14.462 ( -10.524 -8.234 -7.248) 15.201 15.055 ( 1.156 -14.850 1.478) 14.968 15.350 ( -5.472 3.211 -5.382) 8.320 16.447 ( 26.829 -1.497 -11.509) 29.232 18.743 ( -4.303 -2.231 -8.163) 9.494 19.450 ( -10.794 1.514 -3.205) 11.361 19.968 ( -10.156 3.736 -8.804) 13.951 20.390 ( -19.608 4.271 6.741) 21.170 22.364 ( 27.897 -19.942 11.219) 36.080 24.165 ( -7.991 4.093 -3.083) 9.493 24.490 ( -0.681 -1.708 -1.678) 2.489 ======================= Grid point 132 (64/260) ======================= q-point: ( 0.30 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 9.629 11.408 6.067) 16.114 2.427 ( 14.090 10.924 8.242) 19.641 3.118 ( 2.341 -2.050 -1.298) 3.372 3.159 ( -7.642 -10.381 5.608) 14.057 3.521 ( 5.372 -6.646 -0.973) 8.601 3.668 ( -3.304 -0.693 -2.005) 3.926 4.163 ( 16.387 12.747 8.987) 22.623 4.413 ( -5.014 8.215 -8.840) 13.068 4.695 ( -1.832 -4.360 -9.188) 10.333 4.817 ( 4.018 -1.008 9.785) 10.626 5.524 ( 3.612 5.917 3.043) 7.571 5.906 ( -2.308 -5.132 3.737) 6.756 6.413 ( 8.445 4.522 -3.420) 10.172 7.145 ( -7.549 7.638 10.667) 15.137 7.848 ( -4.811 4.471 0.964) 6.639 8.367 ( -5.925 -6.203 3.172) 9.146 8.471 ( -1.690 26.908 6.394) 27.709 8.709 ( -0.470 19.247 9.679) 21.549 9.673 ( 11.987 -6.382 -3.478) 14.018 10.657 ( 7.570 -7.495 -5.267) 11.883 11.175 ( 14.546 4.850 17.328) 23.139 11.737 ( 7.142 -7.676 -6.898) 12.550 12.286 ( -2.763 10.794 2.331) 11.383 13.110 ( -8.967 2.629 2.810) 9.758 13.473 ( 0.836 4.310 1.736) 4.721 14.224 ( -11.707 -12.383 -5.917) 18.039 15.061 ( -0.691 -10.263 -2.323) 10.545 15.254 ( -3.243 4.393 -0.840) 5.525 17.024 ( 33.954 0.165 -16.668) 37.825 18.748 ( 4.695 -5.666 -0.793) 7.401 19.183 ( -14.383 3.637 -2.662) 15.073 19.743 ( -9.698 -1.220 -6.851) 11.936 20.013 ( -20.845 7.279 8.155) 23.538 22.872 ( 21.968 -18.913 7.597) 29.967 23.956 ( -12.115 0.900 -6.245) 13.660 24.476 ( -0.407 -0.521 -1.075) 1.261 ======================= Grid point 133 (65/260) ======================= q-point: ( 0.40 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 11.938 4.145 2.789) 12.942 2.707 ( 12.395 8.474 5.413) 15.961 2.950 ( -13.601 -6.829 3.014) 15.515 3.107 ( -2.964 1.399 1.037) 3.437 3.518 ( -2.509 -3.393 0.336) 4.233 3.708 ( 3.756 -3.278 -6.580) 8.255 4.230 ( -4.901 2.958 -12.062) 13.352 4.535 ( 7.748 8.434 0.050) 11.452 4.623 ( 3.026 -6.266 -3.669) 7.867 4.937 ( 4.725 -0.576 12.569) 13.440 5.590 ( 2.266 7.326 3.649) 8.492 5.822 ( -6.277 -2.581 4.363) 8.068 6.590 ( 9.745 7.273 -2.566) 12.427 7.037 ( -5.779 5.452 10.292) 13.002 7.754 ( -4.834 4.101 1.625) 6.544 8.197 ( -8.784 -2.289 -4.486) 10.126 8.493 ( 0.004 23.436 14.758) 27.696 8.743 ( 1.338 20.526 9.626) 22.710 9.950 ( 14.903 -6.995 -4.901) 17.177 10.753 ( 3.510 -4.803 -2.561) 6.477 11.335 ( -3.455 2.701 2.428) 5.012 11.787 ( 4.831 10.795 -5.429) 13.013 12.315 ( 1.408 -0.106 5.786) 5.956 12.944 ( -7.686 5.833 8.044) 12.562 13.521 ( 3.153 -9.735 -1.889) 10.406 13.998 ( -9.283 -10.986 -5.577) 15.426 15.033 ( -0.450 -0.709 -4.632) 4.708 15.213 ( -1.622 -0.806 2.674) 3.230 17.663 ( 34.187 3.602 -17.416) 38.536 18.848 ( -2.280 0.220 2.999) 3.774 18.947 ( -1.882 -1.578 -4.170) 4.839 19.575 ( -19.435 5.449 12.512) 23.748 19.620 ( -7.270 -2.272 -3.034) 8.199 23.278 ( 17.956 -14.469 5.745) 23.765 23.663 ( -15.656 -4.972 -10.177) 19.324 24.467 ( -0.363 0.920 -1.328) 1.655 ======================= Grid point 134 (66/260) ======================= q-point: (-0.50 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 7.312 -1.894 -0.007) 7.553 2.664 ( -15.448 -2.870 3.144) 16.024 2.902 ( 4.648 11.054 0.930) 12.028 3.061 ( 0.591 2.760 4.678) 5.464 3.448 ( -4.358 -6.315 -4.177) 8.736 3.731 ( 0.585 0.204 -6.260) 6.291 4.123 ( -2.640 -1.704 -12.838) 13.216 4.444 ( -4.949 -2.839 -15.275) 16.306 4.876 ( 10.972 2.592 12.603) 16.910 5.025 ( 0.275 0.505 12.598) 12.611 5.626 ( 0.071 7.953 2.712) 8.403 5.722 ( -3.319 -1.417 4.837) 6.035 6.767 ( 8.143 9.232 0.419) 12.317 6.958 ( -5.149 3.149 10.037) 11.712 7.680 ( -2.437 3.242 0.764) 4.127 8.039 ( -5.578 -0.794 -6.547) 8.638 8.540 ( 1.553 21.031 14.595) 25.646 8.785 ( 0.152 19.892 10.581) 22.531 10.125 ( 1.580 -8.337 -5.266) 9.987 10.811 ( 2.152 -0.435 1.812) 2.847 11.125 ( -11.581 4.516 -13.429) 18.299 11.947 ( 9.608 15.314 3.038) 18.332 12.272 ( -6.705 -3.800 2.049) 7.975 12.856 ( -3.420 5.155 7.202) 9.494 13.579 ( 1.507 -16.749 -0.470) 16.823 13.863 ( -0.975 -8.253 -7.293) 11.057 15.040 ( 1.851 1.299 -3.925) 4.529 15.193 ( -0.866 -1.493 3.165) 3.605 18.265 ( 30.316 7.942 -13.867) 34.270 18.649 ( -12.079 2.268 -2.650) 12.572 19.067 ( -11.109 -1.948 4.072) 11.991 19.118 ( -4.731 6.416 4.450) 9.130 19.695 ( 9.262 -7.888 10.015) 15.758 23.288 ( -19.060 -8.152 -12.872) 24.402 23.620 ( 15.160 -11.620 3.273) 19.379 24.453 ( -0.670 1.706 -2.203) 2.866 ======================= Grid point 135 (67/260) ======================= q-point: (-0.40 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -15.373 5.669 4.399) 16.965 2.501 ( -9.945 2.768 -2.685) 10.666 2.957 ( 3.509 2.172 -0.685) 4.183 3.161 ( 6.088 2.172 2.273) 6.852 3.352 ( -3.757 -7.587 -6.066) 10.416 3.689 ( -2.920 -1.877 -5.052) 6.130 4.099 ( 1.641 4.762 -7.104) 8.708 4.320 ( -3.449 -4.473 -12.692) 13.892 4.965 ( -6.739 3.680 12.243) 14.452 5.069 ( 3.571 2.302 10.303) 11.145 5.587 ( -3.538 7.992 3.044) 9.255 5.750 ( 3.455 -2.088 2.672) 4.841 6.847 ( -8.664 -1.869 8.203) 12.077 6.912 ( 5.915 9.367 5.314) 12.287 7.683 ( 3.126 2.999 -1.428) 4.562 7.957 ( -1.101 2.094 -7.339) 7.711 8.622 ( 3.337 16.546 12.696) 21.121 8.793 ( -1.770 17.906 11.076) 21.129 9.988 ( -12.345 -7.547 -3.244) 14.829 10.680 ( -14.215 1.935 -9.619) 17.273 11.020 ( 1.140 4.962 -3.796) 6.351 12.009 ( -10.218 -7.787 -4.873) 13.740 12.218 ( 7.471 17.432 8.568) 20.810 12.844 ( 1.658 5.285 1.306) 5.691 13.505 ( -6.994 -4.975 -4.325) 9.611 13.997 ( 13.830 -17.242 -2.776) 22.277 15.049 ( -0.970 -4.899 -3.398) 6.040 15.221 ( 3.526 3.407 2.327) 5.427 18.291 ( -27.724 3.215 7.659) 28.941 18.681 ( -8.072 -4.940 -3.428) 10.065 18.799 ( 23.753 13.787 -7.846) 28.563 19.362 ( 15.393 2.417 -0.114) 15.582 19.981 ( 15.651 -8.251 16.963) 24.510 22.842 ( -22.817 -13.836 -17.562) 31.945 23.897 ( 12.073 -4.751 2.858) 13.285 24.432 ( -0.622 1.484 -3.382) 3.746 ======================= Grid point 136 (68/260) ======================= q-point: (-0.30 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -13.069 11.168 5.125) 17.938 2.211 ( -16.809 12.542 -1.822) 21.051 2.975 ( -1.451 -5.971 -4.995) 7.919 3.207 ( -7.677 -3.674 1.458) 8.635 3.337 ( 8.389 -1.563 -4.426) 9.613 3.674 ( 2.691 0.063 -0.295) 2.708 4.004 ( -9.928 8.489 -1.738) 13.178 4.354 ( 8.224 -4.089 -8.797) 12.717 4.828 ( -8.102 6.265 7.500) 12.694 5.087 ( -4.401 2.287 10.318) 11.448 5.517 ( -4.200 5.553 1.782) 7.187 5.811 ( 1.294 -2.325 1.510) 3.059 6.646 ( -12.763 -4.789 6.594) 15.143 7.042 ( 5.989 8.183 6.232) 11.902 7.792 ( 8.022 2.454 -2.295) 8.698 7.956 ( 2.323 4.041 -6.077) 7.659 8.681 ( -2.227 13.878 9.936) 17.213 8.804 ( 2.208 12.350 9.634) 15.818 9.714 ( -13.071 -5.386 -1.571) 14.224 10.345 ( -16.208 6.731 -11.955) 21.236 10.977 ( -6.284 2.263 0.861) 6.734 11.718 ( -15.980 -14.356 -3.694) 21.797 12.416 ( 8.470 18.846 6.748) 21.736 12.943 ( 8.920 9.956 -6.357) 14.802 13.352 ( -6.431 -1.385 -4.310) 7.865 14.308 ( 16.828 -17.198 -0.615) 24.070 14.994 ( -3.301 -7.076 -3.092) 8.399 15.321 ( 5.651 2.707 0.162) 6.268 17.676 ( -34.650 -1.575 12.195) 36.767 18.636 ( 4.841 -4.699 -5.532) 8.725 19.246 ( 21.175 12.983 -2.043) 24.922 19.676 ( 15.996 2.512 -2.104) 16.328 20.357 ( 17.421 -5.274 20.648) 27.526 22.303 ( -27.647 -16.524 -21.550) 38.753 24.101 ( 8.026 0.982 1.718) 8.266 24.422 ( 0.722 0.180 -4.295) 4.359 ======================= Grid point 137 (69/260) ======================= q-point: (-0.20 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -12.259 13.401 0.630) 18.173 1.913 ( -11.066 21.832 7.860) 25.707 2.903 ( -4.773 -5.215 -2.582) 7.527 3.027 ( -8.746 1.003 1.055) 8.866 3.469 ( 1.801 -3.804 2.316) 4.804 3.728 ( -0.765 5.262 2.027) 5.691 3.852 ( 0.631 4.805 -2.195) 5.320 4.485 ( 4.773 0.213 -7.679) 9.044 4.726 ( -2.558 4.547 6.814) 8.582 4.962 ( -9.737 2.397 8.539) 13.171 5.433 ( -4.388 1.223 0.241) 4.562 5.774 ( -5.979 -4.936 1.790) 7.958 6.421 ( -9.882 0.155 2.943) 10.312 7.174 ( 5.839 8.368 6.209) 11.945 7.975 ( 10.063 0.990 0.439) 10.122 8.010 ( 4.583 3.644 -4.664) 7.486 8.583 ( -8.685 10.755 4.860) 14.653 8.886 ( 2.221 7.460 7.551) 10.845 9.527 ( -4.346 -2.042 -1.846) 5.144 10.023 ( -13.353 12.437 -5.753) 19.133 10.782 ( -13.292 -0.445 2.379) 13.511 11.410 ( -13.782 -17.745 -2.434) 22.600 12.555 ( 4.367 15.237 4.436) 16.460 13.092 ( 4.222 13.929 -15.830) 21.504 13.310 ( 6.425 -1.008 1.302) 6.633 14.617 ( 13.905 -13.758 0.151) 19.562 14.918 ( -3.417 -7.792 -3.674) 9.268 15.429 ( 5.362 -0.739 -2.274) 5.871 17.037 ( -32.626 -6.706 14.169) 36.196 18.838 ( 16.501 -4.267 -3.760) 17.453 19.610 ( 15.841 10.270 0.513) 18.886 19.955 ( 12.539 2.739 -3.051) 13.192 20.722 ( 13.567 -1.151 20.267) 24.417 21.658 ( -31.988 -15.372 -22.447) 41.993 24.222 ( 4.424 4.338 -0.285) 6.202 24.446 ( 2.521 -0.765 -3.986) 4.778 ======================= Grid point 138 (70/260) ======================= q-point: (-0.10 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -6.061 18.500 7.107) 20.724 1.800 ( -3.976 23.300 11.071) 26.101 2.770 ( -7.638 11.999 4.193) 14.829 2.933 ( -1.039 -4.289 2.216) 4.938 3.393 ( -7.139 -9.538 6.239) 13.448 3.704 ( -1.442 8.238 1.611) 8.517 3.981 ( 9.405 2.972 -5.981) 11.535 4.470 ( -3.485 5.440 -3.889) 7.541 4.771 ( 2.599 2.401 6.975) 7.821 4.787 ( -7.395 1.293 5.364) 9.227 5.352 ( -3.552 -3.790 -1.216) 5.335 5.616 ( -8.401 -5.224 4.567) 10.896 6.301 ( -3.044 7.465 -0.140) 8.063 7.293 ( 4.490 9.885 6.455) 12.631 8.070 ( 3.079 0.534 0.836) 3.235 8.216 ( 12.486 3.847 1.804) 13.189 8.384 ( -10.745 5.034 -2.768) 12.184 8.886 ( -3.742 7.018 6.839) 10.490 9.558 ( 7.431 1.049 -3.809) 8.416 9.842 ( -3.987 15.781 5.238) 17.099 10.494 ( -15.872 -3.945 3.295) 16.683 11.193 ( -7.338 -19.919 -1.196) 21.261 12.617 ( 1.311 13.238 1.786) 13.422 13.064 ( -0.695 7.948 -11.359) 13.881 13.547 ( 13.984 2.755 -4.773) 15.031 14.806 ( 1.259 -4.304 0.809) 4.556 14.881 ( 4.484 -14.771 -5.011) 16.230 15.514 ( 3.882 -3.761 -5.003) 7.365 16.483 ( -26.554 -8.919 15.267) 31.902 19.220 ( 20.958 -3.971 -5.772) 22.098 19.827 ( 2.874 4.749 -5.523) 7.831 20.141 ( 6.996 3.844 -4.022) 8.939 20.877 ( -5.775 -0.918 5.311) 7.899 21.106 ( -10.729 -7.031 1.436) 12.908 24.289 ( 2.829 4.443 -1.600) 5.505 24.487 ( 2.180 -0.208 -3.345) 3.998 ======================= Grid point 139 (71/260) ======================= q-point: ( 0.00 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 3.475 11.348 8.899) 14.834 2.158 ( -2.919 11.282 13.625) 17.929 2.777 ( 5.797 -3.714 5.209) 8.633 2.890 ( 3.812 -8.909 1.180) 9.762 3.181 ( -9.072 3.907 5.267) 11.194 3.869 ( -0.302 8.173 -0.063) 8.179 4.098 ( 2.698 -2.129 1.525) 3.760 4.534 ( -1.896 5.136 -2.965) 6.226 4.727 ( -2.793 0.715 4.523) 5.363 4.860 ( 0.674 -0.204 4.544) 4.598 5.195 ( 1.378 -3.638 -1.354) 4.119 5.482 ( 1.073 -2.500 5.021) 5.710 6.388 ( -0.493 2.621 -2.452) 3.623 7.584 ( 1.438 7.936 9.339) 12.339 8.031 ( 3.399 -6.196 4.835) 8.563 8.222 ( -10.020 1.541 -3.682) 10.786 8.618 ( 16.176 3.875 7.330) 18.178 9.024 ( -2.605 9.922 3.224) 10.753 9.753 ( 10.586 -0.136 -2.762) 10.941 9.978 ( -14.509 -6.323 5.260) 16.678 10.302 ( 3.744 16.678 5.933) 18.093 10.710 ( 1.151 -19.467 3.430) 19.800 12.856 ( -2.020 8.322 -1.708) 8.732 13.134 ( 0.530 1.859 -6.524) 6.804 13.771 ( 5.613 1.202 -3.259) 6.601 14.588 ( -0.690 -10.950 -7.424) 13.247 14.753 ( 1.440 -2.995 0.552) 3.368 15.537 ( 1.364 0.636 -7.020) 7.179 16.021 ( -10.686 -1.923 8.190) 13.600 19.492 ( 9.942 -0.504 -18.817) 21.287 19.547 ( -23.060 0.445 -13.296) 26.622 20.301 ( 2.895 2.655 -10.346) 11.067 20.924 ( 15.017 -1.354 18.953) 24.219 21.009 ( -4.543 -1.967 12.824) 13.746 24.397 ( 0.727 2.954 -1.701) 3.485 24.483 ( -0.232 -1.794 -0.933) 2.035 ======================= Grid point 140 (72/260) ======================= q-point: ( 0.10 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 7.125 9.419 10.374) 15.720 2.173 ( 1.643 10.870 12.355) 16.538 2.937 ( 7.765 -6.114 8.959) 13.339 2.984 ( 5.609 -7.188 -1.057) 9.179 3.062 ( -3.262 2.882 1.320) 4.549 3.841 ( -2.834 3.151 0.491) 4.266 4.152 ( 2.536 7.551 6.656) 10.380 4.522 ( 2.096 1.868 -4.870) 5.621 4.692 ( -1.605 -1.121 0.932) 2.168 4.822 ( -4.277 -1.261 2.018) 4.895 5.313 ( 8.717 -0.138 1.086) 8.785 5.576 ( 6.496 -3.874 5.147) 9.149 6.372 ( -0.353 2.401 -2.282) 3.332 7.562 ( -6.037 6.405 11.406) 14.407 8.066 ( -2.482 2.895 -0.602) 3.860 8.155 ( 4.161 -6.375 5.496) 9.390 8.876 ( 5.251 4.504 11.752) 13.637 9.024 ( 3.377 17.373 0.409) 17.703 9.592 ( -15.512 -6.786 1.650) 17.011 10.053 ( 12.470 -6.214 -2.606) 14.174 10.530 ( 16.284 14.045 9.626) 23.560 10.859 ( 12.647 -17.433 5.989) 22.354 12.788 ( -4.141 8.832 -3.680) 10.425 13.143 ( 1.247 -0.245 -5.929) 6.064 13.806 ( -1.532 2.800 0.978) 3.338 14.480 ( -8.405 -9.676 -7.749) 14.977 14.795 ( 2.547 -4.297 0.816) 5.061 15.496 ( -3.474 1.133 -5.897) 6.937 16.043 ( 11.836 -1.012 -1.752) 12.008 19.019 ( -20.363 0.565 -18.598) 27.583 19.583 ( -0.455 -0.097 -6.950) 6.966 20.248 ( -6.080 2.803 -11.048) 12.918 20.776 ( -15.725 1.154 9.005) 18.158 21.480 ( 28.832 -6.531 17.684) 34.448 24.376 ( -3.481 4.138 -1.179) 5.534 24.457 ( -1.134 -3.160 -1.389) 3.633 ======================= Grid point 141 (73/260) ======================= q-point: ( 0.20 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 3.051 12.583 9.031) 15.786 2.340 ( 8.935 4.250 9.998) 14.066 3.043 ( 0.626 -5.156 6.447) 8.279 3.047 ( 1.887 -0.354 0.899) 2.120 3.150 ( 10.682 -6.874 -6.012) 14.053 3.763 ( -5.115 -1.047 4.055) 6.611 4.252 ( 5.875 16.001 9.917) 19.720 4.589 ( 5.343 -2.151 -4.929) 7.580 4.652 ( -2.642 -3.400 -3.585) 5.603 4.733 ( -4.262 -0.331 -1.742) 4.616 5.490 ( 8.268 2.594 2.284) 8.962 5.720 ( 5.879 -5.207 4.684) 9.144 6.382 ( 2.554 2.209 -1.095) 3.550 7.428 ( -9.458 4.502 11.710) 15.711 8.012 ( -3.224 3.069 0.065) 4.452 8.252 ( 1.722 -5.157 9.987) 11.371 8.930 ( 0.525 9.065 7.185) 11.580 9.073 ( -0.408 20.239 2.795) 20.435 9.404 ( -2.001 -10.847 -1.496) 11.131 10.280 ( 10.899 -7.972 -2.657) 13.762 10.936 ( 20.717 10.604 12.310) 26.329 11.191 ( 17.991 -13.589 6.734) 23.531 12.683 ( -5.308 10.449 -4.484) 12.549 13.126 ( -2.491 -4.156 -4.695) 6.747 13.745 ( -4.285 7.977 3.892) 9.856 14.232 ( -14.516 -11.481 -6.711) 19.687 14.854 ( 3.191 -4.050 0.629) 5.194 15.411 ( -3.617 1.763 -4.872) 6.318 16.427 ( 27.580 -0.464 -10.948) 29.677 18.708 ( -7.666 -0.979 -9.965) 12.611 19.476 ( -8.351 0.763 -6.336) 10.510 20.013 ( -14.289 0.921 -11.024) 18.070 20.470 ( -17.074 2.628 10.319) 20.122 22.070 ( 26.898 -7.724 12.179) 30.521 24.235 ( -10.096 2.229 -3.220) 10.829 24.451 ( 0.531 -1.496 -0.632) 1.709 ======================= Grid point 142 (74/260) ======================= q-point: ( 0.30 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 4.360 12.029 6.456) 14.332 2.531 ( 7.787 -3.216 8.318) 11.839 3.032 ( -2.220 0.151 1.275) 2.564 3.076 ( 0.988 -1.953 -1.528) 2.669 3.356 ( 11.317 -6.941 -7.772) 15.383 3.675 ( -4.938 0.526 6.690) 8.332 4.397 ( 3.920 7.828 5.876) 10.544 4.568 ( -3.346 6.690 -3.430) 8.229 4.621 ( -1.029 -2.005 -14.080) 14.260 4.736 ( 5.595 -6.346 7.464) 11.282 5.634 ( 5.456 4.297 3.105) 7.607 5.791 ( -0.115 -4.817 4.910) 6.879 6.496 ( 9.289 2.458 -0.464) 9.620 7.268 ( -9.014 3.663 11.379) 14.972 7.933 ( -4.819 3.244 1.722) 6.059 8.205 ( -8.406 -6.449 6.634) 12.500 8.977 ( 3.160 13.451 6.096) 15.102 9.082 ( 0.654 20.828 5.943) 21.669 9.476 ( 8.769 -13.931 -3.047) 16.740 10.471 ( 9.391 -7.444 -2.552) 12.252 11.316 ( 12.875 7.922 8.691) 17.437 11.549 ( 16.683 -8.922 5.184) 19.616 12.577 ( -4.058 13.504 -1.531) 14.184 13.012 ( -7.825 -8.627 -1.113) 11.700 13.653 ( -7.635 11.897 0.306) 14.139 13.935 ( -11.671 -14.821 -3.170) 19.129 14.915 ( 2.723 -3.399 0.177) 4.358 15.333 ( -3.174 2.318 -4.009) 5.614 17.032 ( 35.983 0.347 -16.156) 39.445 18.660 ( 3.627 -2.401 -2.467) 5.000 19.248 ( -12.701 2.015 -6.914) 14.601 19.706 ( -13.169 -1.474 -6.220) 14.638 20.138 ( -19.918 3.667 11.144) 23.116 22.586 ( 23.349 -7.672 8.026) 25.854 23.973 ( -15.359 0.518 -5.801) 16.426 24.466 ( 0.927 -0.346 -0.728) 1.228 ======================= Grid point 143 (75/260) ======================= q-point: ( 0.40 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 4.156 7.355 3.758) 9.246 2.638 ( -0.108 -9.388 7.832) 12.227 3.016 ( 2.320 6.748 -2.311) 7.500 3.086 ( 0.850 -1.800 -1.983) 2.810 3.505 ( 2.311 0.150 -5.699) 6.152 3.613 ( -0.593 -3.656 1.229) 3.902 4.322 ( -6.842 5.292 -11.657) 14.516 4.461 ( -5.204 -6.768 -14.728) 17.024 4.733 ( 9.948 7.956 8.966) 15.577 4.882 ( 6.194 -4.505 12.454) 14.621 5.704 ( 0.034 3.495 4.700) 5.857 5.767 ( -1.828 -2.253 4.567) 5.410 6.714 ( 11.707 3.531 -0.333) 12.233 7.142 ( -6.236 3.873 11.053) 13.268 7.836 ( -5.423 4.005 1.672) 6.947 8.011 ( -10.455 -9.179 1.559) 14.000 9.050 ( 1.329 8.584 10.255) 13.439 9.109 ( 1.153 28.697 1.658) 28.768 9.688 ( 10.995 -18.628 0.541) 21.637 10.649 ( 9.390 -3.580 -1.499) 10.160 11.404 ( -3.985 2.966 -6.815) 8.434 11.869 ( 13.799 -0.637 5.783) 14.975 12.519 ( -3.547 17.095 5.012) 18.164 12.872 ( -4.874 -13.180 4.982) 14.910 13.417 ( -12.369 -0.084 -4.354) 13.113 13.811 ( -2.936 -5.955 -2.354) 7.044 14.957 ( 1.386 -3.021 -0.293) 3.337 15.276 ( -1.590 2.865 -2.617) 4.194 17.724 ( 37.309 1.800 -17.457) 41.231 18.807 ( 10.201 -2.150 3.241) 10.917 18.970 ( -13.022 1.855 -8.574) 15.701 19.516 ( -5.181 -2.834 3.151) 6.693 19.723 ( -24.635 3.792 9.623) 26.718 23.028 ( 19.785 -7.232 4.424) 21.524 23.618 ( -18.315 -0.608 -7.714) 19.882 24.478 ( 0.469 0.235 -1.434) 1.527 ======================= Grid point 144 (76/260) ======================= q-point: (-0.50 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -0.166 -0.864 0.583) 1.056 2.585 ( -4.448 -2.792 6.142) 8.081 3.075 ( 1.089 -0.560 1.603) 2.017 3.139 ( 6.469 7.747 -5.437) 11.464 3.409 ( -8.656 3.711 0.354) 9.424 3.622 ( -0.679 -9.048 -9.309) 12.999 4.183 ( -2.657 6.121 -14.935) 16.358 4.344 ( -2.950 -6.329 -13.814) 15.479 4.948 ( 8.101 3.771 13.326) 16.045 5.012 ( 3.275 -1.885 13.773) 14.282 5.677 ( -1.874 -1.024 5.809) 6.189 5.756 ( -1.388 2.955 3.137) 4.527 6.893 ( 4.339 2.169 1.494) 5.076 7.074 ( -3.046 6.546 10.891) 13.066 7.735 ( -3.912 2.379 -0.068) 4.579 7.864 ( -3.659 -9.403 -3.053) 10.542 9.066 ( -1.939 9.257 11.997) 15.277 9.134 ( 0.885 26.090 -0.685) 26.114 9.822 ( 0.724 -19.396 3.452) 19.714 10.805 ( 3.595 -0.191 2.187) 4.213 11.218 ( -7.971 3.388 -17.966) 19.945 12.035 ( -1.634 -2.493 2.323) 3.779 12.469 ( 1.207 17.941 7.662) 19.546 12.859 ( -0.395 -7.629 9.833) 12.451 13.285 ( 2.255 -8.271 -4.286) 9.585 13.737 ( -3.941 -3.430 -6.676) 8.477 14.965 ( -0.455 -3.322 -0.665) 3.419 15.268 ( 1.377 3.401 -1.228) 3.869 18.376 ( 30.719 2.795 -14.286) 33.994 18.706 ( -10.799 1.904 -8.000) 13.574 19.044 ( 8.280 0.798 6.143) 10.340 19.207 ( -23.083 1.027 10.989) 25.586 19.564 ( 6.887 -3.654 6.806) 10.349 23.107 ( -18.605 -6.207 -12.876) 23.462 23.505 ( 15.003 -1.629 4.828) 15.844 24.474 ( -0.465 0.453 -2.382) 2.468 ======================= Grid point 145 (77/260) ======================= q-point: (-0.40 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -7.564 -0.434 0.218) 7.580 2.556 ( -1.558 1.491 4.417) 4.915 3.037 ( -5.480 3.298 -3.673) 7.375 3.213 ( -9.342 -4.533 -4.096) 11.162 3.275 ( 7.108 8.558 -0.849) 11.157 3.565 ( -0.993 -8.889 -6.381) 10.987 4.175 ( 4.803 2.207 -13.005) 14.038 4.267 ( -3.154 -0.951 -8.326) 8.954 5.020 ( -3.630 1.394 12.919) 13.492 5.112 ( 3.134 1.364 11.237) 11.745 5.691 ( 0.465 -0.440 5.816) 5.851 5.712 ( -2.678 1.606 1.873) 3.641 6.823 ( -10.775 -0.565 4.599) 11.729 7.100 ( 2.651 6.897 9.934) 12.381 7.732 ( 3.738 2.136 -3.360) 5.461 7.844 ( 2.378 -7.596 -5.916) 9.918 9.035 ( -4.030 8.615 10.887) 14.456 9.135 ( -0.650 22.770 0.351) 22.782 9.732 ( -9.571 -16.469 3.854) 19.435 10.695 ( -11.713 -0.135 -3.252) 12.157 11.133 ( -0.192 4.569 -10.734) 11.668 11.817 ( -17.363 -6.739 0.751) 18.640 12.627 ( 9.223 18.656 8.214) 22.374 12.887 ( 3.574 -3.968 3.335) 6.296 13.435 ( 7.694 -0.771 -2.948) 8.276 13.666 ( 2.783 -12.157 -8.061) 14.850 14.936 ( -2.252 -3.462 -0.997) 4.248 15.318 ( 3.515 3.163 -0.783) 4.793 18.360 ( -30.399 3.179 9.191) 31.917 18.570 ( -6.253 -4.616 -6.808) 10.332 19.089 ( 23.045 11.872 -8.558) 27.299 19.364 ( 14.784 -2.774 3.462) 15.435 19.826 ( 16.601 -5.134 15.357) 23.190 22.627 ( -24.887 -5.867 -16.229) 30.285 23.838 ( 15.777 -1.219 3.805) 16.275 24.450 ( -1.221 0.350 -3.349) 3.582 ======================= Grid point 146 (78/260) ======================= q-point: (-0.30 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -7.773 3.836 0.234) 8.671 2.489 ( -6.882 10.561 5.669) 13.822 2.888 ( -6.465 -0.671 -6.163) 8.957 3.013 ( -9.423 -10.948 -5.204) 15.354 3.428 ( 7.700 7.450 0.262) 10.717 3.594 ( 4.119 -7.033 0.699) 8.181 4.157 ( -6.599 5.262 -2.313) 8.752 4.287 ( 8.521 -2.391 -10.934) 14.067 4.933 ( -6.578 3.051 7.113) 10.157 5.127 ( -4.313 1.254 10.422) 11.348 5.599 ( -6.999 2.149 0.995) 7.389 5.736 ( -0.657 -3.066 4.478) 5.467 6.592 ( -11.492 -1.052 3.729) 12.128 7.200 ( 5.113 5.532 9.302) 11.970 7.833 ( 6.874 1.985 -3.832) 8.116 7.908 ( 4.819 -5.283 -6.311) 9.537 8.947 ( -7.477 6.773 8.111) 12.945 9.119 ( -0.891 18.188 1.515) 18.272 9.534 ( -9.394 -12.125 2.660) 15.567 10.455 ( -10.756 2.921 -4.581) 12.050 11.037 ( -8.713 3.532 -3.149) 9.915 11.437 ( -20.368 -10.168 0.848) 22.781 12.773 ( 4.062 13.489 5.979) 15.304 13.058 ( 12.121 -1.240 0.689) 12.204 13.403 ( -4.219 7.772 -11.220) 14.286 13.925 ( 18.993 -16.732 -2.803) 25.467 14.877 ( -3.288 -3.147 -1.183) 4.703 15.389 ( 3.754 2.281 -1.395) 4.609 17.665 ( -38.900 0.070 12.655) 40.907 18.552 ( 5.872 -2.554 -6.992) 9.481 19.509 ( 18.408 11.360 -2.351) 21.759 19.670 ( 16.237 -3.745 -3.304) 16.988 20.255 ( 21.505 -3.506 20.767) 30.100 22.066 ( -28.126 -5.969 -18.342) 34.105 24.119 ( 11.838 0.592 2.343) 12.082 24.418 ( -0.964 -0.296 -4.042) 4.166 ======================= Grid point 147 (79/260) ======================= q-point: (-0.20 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -6.966 7.142 0.567) 9.993 2.343 ( -8.473 17.796 9.694) 21.965 2.769 ( -4.877 -4.950 -3.742) 7.892 2.865 ( -3.685 -13.052 -3.132) 13.920 3.505 ( -2.547 4.481 5.762) 7.731 3.722 ( 8.229 -3.271 0.630) 8.877 4.031 ( -4.234 8.108 -0.045) 9.147 4.439 ( 8.567 -3.276 -8.013) 12.180 4.824 ( -5.147 3.425 4.061) 7.397 5.004 ( -9.505 1.307 8.491) 12.812 5.442 ( -8.677 -0.037 -0.761) 8.711 5.661 ( -7.373 -3.864 3.851) 9.172 6.442 ( -4.214 0.834 1.424) 4.526 7.338 ( 6.618 5.923 8.279) 12.142 7.937 ( 2.796 -3.669 -2.007) 5.031 8.031 ( 10.558 0.377 -3.392) 11.096 8.765 ( -12.398 4.980 2.828) 13.657 9.109 ( -0.866 12.018 1.733) 12.173 9.431 ( -0.574 -6.970 1.700) 7.197 10.264 ( -7.776 8.464 -0.597) 11.509 10.787 ( -15.758 2.026 0.640) 15.901 11.058 ( -17.467 -13.827 1.484) 22.327 12.843 ( 2.211 10.230 2.875) 10.854 13.223 ( -0.619 -2.684 -2.317) 3.599 13.389 ( 10.310 9.361 -9.975) 17.130 14.278 ( 16.463 -14.107 -3.976) 22.042 14.808 ( -3.262 -2.510 -1.068) 4.252 15.453 ( 3.164 1.294 -2.679) 4.343 16.955 ( -35.228 -1.735 12.614) 37.459 18.769 ( 17.360 -1.957 -6.063) 18.492 19.791 ( 10.379 6.138 3.964) 12.693 19.970 ( 15.061 -0.950 -9.993) 18.100 20.702 ( 17.321 -0.633 21.201) 27.385 21.443 ( -30.327 -5.306 -17.002) 35.171 24.305 ( 6.406 3.377 0.464) 7.256 24.408 ( 1.375 -2.361 -3.455) 4.405 ======================= Grid point 148 (80/260) ======================= q-point: (-0.10 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -3.100 10.390 4.119) 11.599 2.222 ( -6.453 14.999 13.199) 20.996 2.710 ( 0.005 -4.121 0.632) 4.169 2.840 ( 0.952 -11.230 -0.115) 11.271 3.370 ( -10.726 3.857 7.137) 13.448 3.848 ( 3.215 4.182 0.128) 5.277 4.028 ( 3.325 1.885 0.332) 3.837 4.553 ( 3.008 1.795 -4.875) 6.003 4.770 ( -1.540 0.131 4.367) 4.632 4.849 ( -5.586 1.920 6.554) 8.823 5.273 ( -7.354 -2.727 -1.911) 8.072 5.523 ( -6.053 -2.921 4.295) 7.976 6.402 ( -0.784 2.347 -1.003) 2.671 7.484 ( 5.942 7.245 7.930) 12.275 7.973 ( 1.841 -6.007 1.275) 6.411 8.287 ( 15.100 1.954 2.423) 15.417 8.488 ( -14.758 3.208 -2.723) 15.346 9.076 ( -2.937 8.633 2.983) 9.595 9.530 ( 9.693 -2.925 -0.828) 10.159 10.153 ( -4.710 10.542 5.663) 12.861 10.453 ( -17.018 2.893 1.611) 17.337 10.790 ( -9.598 -17.410 2.341) 20.017 12.873 ( 0.352 8.892 0.519) 8.914 13.164 ( -1.978 1.786 -6.733) 7.242 13.610 ( 11.277 3.042 -5.499) 12.910 14.523 ( 9.015 -13.160 -5.784) 16.968 14.754 ( -1.727 -1.599 -0.437) 2.394 15.503 ( 2.834 0.592 -4.603) 5.438 16.373 ( -26.066 -2.402 11.614) 28.637 19.162 ( 22.122 -1.515 -8.166) 23.629 19.897 ( -2.899 1.833 -6.095) 6.993 20.195 ( 10.012 1.344 -10.885) 14.850 20.869 ( -15.079 0.044 1.695) 15.174 21.002 ( 2.738 -2.828 14.581) 15.103 24.374 ( 1.978 3.450 -2.322) 4.605 24.457 ( 2.843 -2.201 -0.808) 3.685 ======================= Grid point 189 (81/260) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -2.682 0.000 24.295) 24.443 1.129 ( 9.855 0.000 27.438) 29.154 2.166 ( 8.671 0.000 49.986) 50.733 3.278 ( -2.075 0.000 -2.437) 3.201 3.387 ( 5.572 0.000 -6.624) 8.656 3.568 ( 11.013 0.000 2.794) 11.362 3.925 ( -3.860 0.000 2.159) 4.423 4.159 ( -0.379 0.000 -7.750) 7.759 4.753 ( -11.401 0.000 11.056) 15.881 4.972 ( 5.424 0.000 1.850) 5.731 5.509 ( 3.602 0.000 7.362) 8.196 5.591 ( 6.386 0.000 9.785) 11.684 5.897 ( -15.013 0.000 8.271) 17.140 6.971 ( -3.661 0.000 11.137) 11.724 7.485 ( 2.035 0.000 -13.519) 13.671 7.878 ( -3.610 0.000 6.589) 7.513 8.318 ( -6.299 0.000 -1.971) 6.600 8.825 ( 2.771 0.000 22.032) 22.205 9.270 ( 9.927 0.000 -9.280) 13.589 10.521 ( 34.816 0.000 -0.027) 34.816 10.561 ( -4.304 0.000 3.873) 5.790 11.043 ( -2.375 0.000 -14.039) 14.238 11.988 ( 6.841 0.000 -11.151) 13.082 12.502 ( 3.976 0.000 -9.762) 10.540 13.966 ( 15.767 0.000 5.177) 16.595 14.969 ( -0.202 0.000 -1.321) 1.337 15.001 ( -1.188 0.000 4.546) 4.699 15.765 ( 2.239 0.000 -17.035) 17.182 18.152 (-103.332 0.000 0.593) 103.333 18.457 ( 13.947 0.000 0.127) 13.947 19.711 ( 0.529 0.000 1.129) 1.247 19.846 ( -1.091 0.000 -0.227) 1.114 21.097 ( -15.976 0.000 8.976) 18.325 22.089 ( 78.495 0.000 -4.532) 78.626 23.628 ( 3.861 0.000 2.077) 4.384 24.095 ( -1.799 0.000 -3.255) 3.719 ======================= Grid point 190 (82/260) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 13.134 0.000 21.006) 24.774 1.498 ( 18.845 0.000 21.011) 28.224 2.594 ( 22.595 0.000 45.878) 51.140 3.263 ( 0.417 0.000 -3.137) 3.164 3.460 ( 3.855 0.000 -10.606) 11.285 3.740 ( 1.454 0.000 -3.428) 3.724 3.948 ( 8.772 0.000 13.740) 16.301 4.113 ( -2.044 0.000 -6.089) 6.423 4.530 ( -13.608 0.000 9.330) 16.499 4.960 ( -4.135 0.000 -0.777) 4.207 5.581 ( 1.709 0.000 7.583) 7.773 5.684 ( 0.423 0.000 10.502) 10.510 6.027 ( 17.649 0.000 -4.205) 18.143 6.917 ( -4.276 0.000 11.264) 12.048 7.513 ( 3.646 0.000 -12.607) 13.124 7.809 ( -4.165 0.000 4.361) 6.031 8.146 ( -9.516 0.000 -3.617) 10.180 8.899 ( -0.990 0.000 26.928) 26.946 9.480 ( 11.629 0.000 -5.568) 12.893 10.511 ( -1.150 0.000 2.843) 3.067 10.982 ( 0.321 0.000 -17.637) 17.640 11.161 ( 30.022 0.000 -15.403) 33.743 12.005 ( -2.939 0.000 -9.384) 9.834 12.640 ( 11.949 0.000 -8.084) 14.427 14.175 ( -1.430 0.000 4.584) 4.802 14.923 ( -8.355 0.000 4.080) 9.298 14.956 ( -0.847 0.000 -4.268) 4.352 15.740 ( -0.902 0.000 -13.552) 13.582 16.612 ( -44.776 0.000 27.832) 52.721 18.758 ( 15.666 0.000 6.910) 17.123 19.648 ( -7.095 0.000 0.871) 7.148 19.791 ( -4.755 0.000 -0.356) 4.768 20.691 ( -25.576 0.000 2.024) 25.656 23.316 ( 46.646 0.000 -25.295) 53.062 23.770 ( 9.184 0.000 3.181) 9.720 24.020 ( -5.028 0.000 -4.706) 6.887 ======================= Grid point 191 (83/260) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 19.874 0.000 16.769) 26.003 1.903 ( 17.483 0.000 17.645) 24.840 3.198 ( 20.594 0.000 25.632) 32.880 3.253 ( 5.505 0.000 6.245) 8.325 3.480 ( 0.499 0.000 -12.120) 12.130 3.681 ( -4.222 0.000 -4.246) 5.988 4.082 ( 1.163 0.000 -7.046) 7.141 4.242 ( 12.219 0.000 18.766) 22.394 4.270 ( -11.725 0.000 4.600) 12.595 4.887 ( -2.814 0.000 -1.524) 3.200 5.610 ( -0.394 0.000 7.061) 7.072 5.725 ( 1.309 0.000 9.027) 9.122 6.277 ( 8.256 0.000 -8.679) 11.978 6.866 ( -3.129 0.000 11.847) 12.253 7.551 ( 2.365 0.000 -10.611) 10.872 7.746 ( -3.261 0.000 5.066) 6.025 7.950 ( -9.163 0.000 -3.372) 9.764 8.918 ( -3.486 0.000 30.602) 30.800 9.675 ( 8.938 0.000 -0.782) 8.973 10.543 ( 4.448 0.000 -1.816) 4.804 10.981 ( 3.754 0.000 -18.406) 18.785 11.617 ( 20.168 0.000 -16.653) 26.155 11.844 ( -10.711 0.000 -6.215) 12.384 12.920 ( 18.005 0.000 -7.891) 19.658 13.867 ( -27.273 0.000 31.610) 41.749 14.809 ( -2.627 0.000 -0.001) 2.627 14.888 ( -5.254 0.000 -9.801) 11.120 15.685 ( -1.698 0.000 -7.307) 7.501 16.434 ( 12.040 0.000 3.698) 12.596 19.093 ( 15.352 0.000 14.721) 21.270 19.441 ( -13.687 0.000 -0.357) 13.691 19.662 ( -8.098 0.000 -0.141) 8.099 20.153 ( -27.307 0.000 -4.124) 27.617 23.866 ( 0.532 0.000 -6.453) 6.474 23.905 ( 12.432 0.000 -21.048) 24.446 23.972 ( 10.045 0.000 2.658) 10.391 ======================= Grid point 192 (84/260) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 21.356 0.000 14.235) 25.666 2.268 ( 15.866 0.000 15.470) 22.159 3.111 ( -9.574 0.000 1.690) 9.722 3.414 ( -4.831 0.000 -9.951) 11.061 3.564 ( -7.185 0.000 -3.445) 7.968 3.833 ( 25.561 0.000 18.602) 31.614 4.010 ( -11.660 0.000 2.352) 11.895 4.140 ( 6.766 0.000 -9.100) 11.339 4.578 ( 14.543 0.000 15.256) 21.077 4.832 ( -2.449 0.000 -2.113) 3.234 5.602 ( -1.745 0.000 5.644) 5.907 5.757 ( -0.916 0.000 7.391) 7.447 6.335 ( 0.887 0.000 -6.523) 6.583 6.869 ( 0.839 0.000 13.838) 13.864 7.541 ( -1.415 0.000 -6.625) 6.775 7.707 ( -2.194 0.000 8.130) 8.421 7.781 ( -7.251 0.000 -2.399) 7.638 8.914 ( -4.116 0.000 32.803) 33.061 9.841 ( 8.416 0.000 -0.285) 8.421 10.664 ( 7.780 0.000 -3.395) 8.488 11.036 ( 5.733 0.000 -17.722) 18.626 11.550 ( -15.451 0.000 -9.465) 18.119 11.903 ( 10.059 0.000 -8.747) 13.330 13.294 ( 21.600 0.000 -9.425) 23.567 13.483 ( -17.337 0.000 32.876) 37.167 14.683 ( -12.719 0.000 -14.540) 19.318 14.774 ( -1.681 0.000 1.810) 2.471 15.651 ( -0.788 0.000 -1.778) 1.945 16.820 ( 24.444 0.000 -7.320) 25.516 19.113 ( -17.861 0.000 0.477) 17.868 19.351 ( -2.564 0.000 16.664) 16.860 19.486 ( -9.391 0.000 0.247) 9.395 19.730 ( -5.205 0.000 -6.227) 8.116 23.699 ( -8.577 0.000 -5.502) 10.190 24.130 ( 9.302 0.000 -18.156) 20.400 24.154 ( 7.566 0.000 1.276) 7.673 ======================= Grid point 193 (85/260) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 20.278 0.000 13.102) 24.143 2.579 ( 9.684 0.000 14.132) 17.132 2.903 ( -9.073 0.000 2.779) 9.489 3.226 ( -14.031 0.000 2.932) 14.334 3.390 ( -7.517 0.000 -12.131) 14.272 3.848 ( -4.882 0.000 -2.576) 5.520 4.142 ( 3.218 0.000 -3.850) 5.018 4.353 ( 13.242 0.000 -5.315) 14.269 4.810 ( 2.236 0.000 2.890) 3.654 4.865 ( 10.624 0.000 13.458) 17.146 5.572 ( -2.312 0.000 3.875) 4.512 5.684 ( -8.432 0.000 6.421) 10.598 6.356 ( 3.612 0.000 -1.156) 3.793 6.969 ( 5.753 0.000 15.593) 16.621 7.479 ( -3.180 0.000 -3.333) 4.607 7.662 ( -4.170 0.000 -1.061) 4.302 7.697 ( -1.087 0.000 12.238) 12.286 8.915 ( -3.352 0.000 33.680) 33.846 10.001 ( 7.720 0.000 -2.505) 8.116 10.805 ( 6.453 0.000 -2.585) 6.952 11.114 ( 5.860 0.000 -15.418) 16.494 11.192 ( -18.450 0.000 -10.877) 21.418 11.980 ( -0.428 0.000 -4.199) 4.221 13.341 ( -4.771 0.000 24.047) 24.516 13.700 ( 21.001 0.000 -14.046) 25.265 14.347 ( -16.645 0.000 -13.165) 21.222 14.751 ( -1.129 0.000 4.713) 4.847 15.633 ( -1.183 0.000 -0.221) 1.203 17.298 ( 25.151 0.000 -8.127) 26.431 18.776 ( -14.883 0.000 -1.475) 14.956 19.058 ( -18.466 0.000 -1.700) 18.544 19.311 ( -7.949 0.000 0.715) 7.981 19.953 ( 16.321 0.000 14.496) 21.829 23.524 ( -7.605 0.000 -7.954) 11.005 24.211 ( 3.354 0.000 -15.253) 15.617 24.262 ( 2.989 0.000 -0.382) 3.014 ======================= Grid point 194 (86/260) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -16.807 0.000 8.992) 19.061 2.740 ( -0.206 0.000 16.504) 16.506 2.959 ( -2.761 0.000 3.852) 4.739 3.006 ( 12.858 0.000 7.619) 14.945 3.236 ( -4.951 0.000 -15.135) 15.925 3.787 ( -0.878 0.000 -4.085) 4.178 4.031 ( -12.402 0.000 -11.602) 16.983 4.452 ( -0.122 0.000 -9.350) 9.351 4.958 ( 8.885 0.000 5.479) 10.438 5.036 ( 3.484 0.000 12.077) 12.570 5.502 ( -9.942 0.000 9.892) 14.025 5.537 ( -1.868 0.000 2.816) 3.379 6.479 ( 8.157 0.000 2.541) 8.544 7.145 ( 7.564 0.000 16.093) 17.782 7.420 ( -1.578 0.000 -3.983) 4.284 7.624 ( 0.625 0.000 0.942) 1.130 7.727 ( 1.132 0.000 15.293) 15.334 8.938 ( -2.288 0.000 33.388) 33.466 10.107 ( 2.963 0.000 -3.753) 4.781 10.778 ( -20.701 0.000 -13.551) 24.742 10.883 ( 2.062 0.000 -2.960) 3.607 11.186 ( 4.301 0.000 -11.163) 11.963 11.898 ( -6.087 0.000 -2.762) 6.684 13.355 ( 0.202 0.000 17.660) 17.662 13.788 ( -13.880 0.000 -23.689) 27.455 14.248 ( 15.123 0.000 -4.345) 15.735 14.760 ( 0.845 0.000 6.712) 6.765 15.598 ( -2.096 0.000 -1.149) 2.390 17.746 ( 21.272 0.000 -3.735) 21.597 18.522 ( -11.455 0.000 -9.259) 14.729 18.780 ( -6.631 0.000 -0.057) 6.632 19.201 ( -2.744 0.000 1.021) 2.928 20.314 ( 15.710 0.000 20.531) 25.852 23.356 ( -7.311 0.000 -13.739) 15.563 24.209 ( 0.080 0.000 -12.416) 12.417 24.265 ( -2.397 0.000 -1.908) 3.064 ======================= Grid point 195 (87/260) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -20.275 0.000 8.323) 21.917 2.419 ( -23.707 0.000 15.167) 28.144 3.119 ( -1.244 0.000 -10.832) 10.903 3.190 ( 10.365 0.000 -0.842) 10.399 3.255 ( 8.036 0.000 8.210) 11.489 3.646 ( -21.864 0.000 -9.090) 23.678 3.802 ( 3.449 0.000 -1.254) 3.670 4.339 ( -8.270 0.000 -9.744) 12.780 5.068 ( -2.262 0.000 12.053) 12.263 5.112 ( 5.674 0.000 3.616) 6.729 5.388 ( -4.509 0.000 12.733) 13.508 5.505 ( -2.423 0.000 2.840) 3.733 6.662 ( 8.979 0.000 4.089) 9.866 7.312 ( 5.325 0.000 15.975) 16.839 7.408 ( 1.633 0.000 -7.421) 7.599 7.697 ( 6.518 0.000 1.889) 6.786 7.811 ( 3.366 0.000 14.281) 14.673 8.969 ( -2.541 0.000 30.978) 31.082 10.065 ( -7.109 0.000 -3.401) 7.881 10.321 ( -22.266 0.000 -13.591) 26.086 10.885 ( -0.681 0.000 -3.263) 3.333 11.221 ( 1.383 0.000 -8.032) 8.150 11.763 ( -5.985 0.000 -5.105) 7.866 13.385 ( -18.798 0.000 -18.801) 26.586 13.405 ( 0.766 0.000 16.239) 16.257 14.587 ( 17.447 0.000 -7.975) 19.183 14.813 ( 2.637 0.000 7.566) 8.012 15.557 ( -1.053 0.000 -3.603) 3.754 18.106 ( 15.473 0.000 4.888) 16.226 18.270 ( -9.874 0.000 -14.910) 17.883 18.825 ( 9.290 0.000 2.411) 9.598 19.232 ( 5.858 0.000 0.671) 5.897 20.654 ( 13.551 0.000 23.359) 27.005 23.147 ( -10.460 0.000 -24.424) 26.569 24.163 ( -7.189 0.000 -2.950) 7.771 24.172 ( -1.062 0.000 -8.308) 8.376 ======================= Grid point 196 (88/260) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -21.298 0.000 8.377) 22.886 1.969 ( -25.315 0.000 16.011) 29.954 3.005 ( -30.205 0.000 5.566) 30.714 3.084 ( 0.967 0.000 -7.366) 7.429 3.328 ( 4.195 0.000 -7.486) 8.581 3.493 ( 2.187 0.000 5.801) 6.199 3.911 ( 6.179 0.000 3.699) 7.201 4.154 ( -6.004 0.000 -11.201) 12.709 5.037 ( -3.234 0.000 13.536) 13.917 5.183 ( -0.830 0.000 4.381) 4.459 5.361 ( -0.564 0.000 11.938) 11.951 5.449 ( -3.755 0.000 3.209) 4.939 6.828 ( 6.317 0.000 5.174) 8.165 7.420 ( 1.716 0.000 12.515) 12.632 7.439 ( 3.353 0.000 -11.082) 11.579 7.884 ( 11.801 0.000 0.928) 11.837 7.886 ( 0.574 0.000 8.171) 8.192 8.945 ( -7.473 0.000 21.799) 23.045 9.817 ( -16.384 0.000 -2.573) 16.584 9.885 ( -17.987 0.000 -1.804) 18.077 10.846 ( -2.659 0.000 -3.413) 4.327 11.210 ( -0.552 0.000 -6.734) 6.756 11.669 ( -1.344 0.000 -8.126) 8.237 13.003 ( -15.561 0.000 -15.924) 22.265 13.461 ( 1.092 0.000 17.631) 17.665 14.848 ( 10.104 0.000 -6.053) 11.779 14.888 ( 2.899 0.000 7.518) 8.057 15.561 ( 3.268 0.000 -8.862) 9.445 18.104 ( -3.108 0.000 -14.483) 14.813 18.424 ( 16.421 0.000 16.221) 23.082 19.090 ( 15.668 0.000 1.383) 15.729 19.416 ( 11.699 0.000 0.595) 11.714 20.949 ( 10.773 0.000 24.026) 26.331 22.787 ( -20.151 0.000 -39.119) 44.005 23.982 ( -10.042 0.000 -3.223) 10.546 24.139 ( -0.763 0.000 -4.076) 4.147 ======================= Grid point 197 (89/260) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -19.572 0.000 11.452) 22.676 1.514 ( -24.353 0.000 18.084) 30.333 2.431 ( -28.660 0.000 23.049) 36.779 3.132 ( 4.897 0.000 -1.208) 5.044 3.363 ( 2.610 0.000 -11.179) 11.480 3.473 ( -5.138 0.000 4.203) 6.638 4.006 ( 1.685 0.000 4.090) 4.424 4.098 ( 2.279 0.000 -10.096) 10.350 5.005 ( -3.932 0.000 14.481) 15.005 5.083 ( -9.329 0.000 6.865) 11.583 5.396 ( -1.639 0.000 4.121) 4.435 5.422 ( 3.036 0.000 9.567) 10.037 6.914 ( 0.338 0.000 4.649) 4.661 7.321 ( -17.807 0.000 -6.359) 18.908 7.475 ( 2.882 0.000 -13.474) 13.779 7.876 ( -1.205 0.000 8.394) 8.480 8.139 ( 13.153 0.000 -0.600) 13.166 8.775 ( -10.509 0.000 13.513) 17.118 9.467 ( -16.780 0.000 -3.713) 17.186 9.712 ( -0.882 0.000 21.310) 21.328 10.762 ( -5.017 0.000 -2.346) 5.539 11.175 ( -1.369 0.000 -6.999) 7.132 11.689 ( 5.589 0.000 -9.751) 11.240 12.710 ( -10.657 0.000 -13.814) 17.447 13.539 ( 2.886 0.000 19.324) 19.538 14.953 ( 1.892 0.000 6.870) 7.126 14.958 ( 2.681 0.000 -1.856) 3.261 15.638 ( 6.739 0.000 -15.178) 16.607 18.089 ( 4.517 0.000 -11.063) 11.950 18.914 ( 30.206 0.000 24.245) 38.733 19.396 ( 14.218 0.000 0.567) 14.229 19.660 ( 12.487 0.000 3.251) 12.903 21.173 ( 6.090 0.000 21.922) 22.752 22.098 ( -41.469 0.000 -52.125) 66.609 23.776 ( -9.528 0.000 -2.466) 9.842 24.124 ( -0.183 0.000 -1.814) 1.824 ======================= Grid point 198 (90/260) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -10.112 0.000 22.536) 24.701 1.130 ( -18.161 0.000 21.766) 28.348 2.082 ( -12.215 0.000 41.307) 43.075 3.261 ( 7.414 0.000 2.162) 7.722 3.362 ( -5.686 0.000 0.208) 5.690 3.410 ( 5.438 0.000 -9.383) 10.845 3.995 ( -3.000 0.000 2.624) 3.986 4.145 ( 3.500 0.000 -8.472) 9.167 4.920 ( -8.099 0.000 12.838) 15.179 4.922 ( -5.937 0.000 8.854) 10.661 5.423 ( 2.887 0.000 6.215) 6.853 5.499 ( 2.552 0.000 9.018) 9.372 6.525 ( -40.750 0.000 -10.872) 42.175 7.012 ( -4.015 0.000 9.752) 10.546 7.486 ( 1.578 0.000 -14.111) 14.199 7.900 ( -0.393 0.000 10.586) 10.593 8.340 ( 5.508 0.000 -0.785) 5.564 8.721 ( 1.194 0.000 17.722) 17.762 9.221 ( -4.720 0.000 -7.736) 9.062 9.938 ( 18.834 0.000 22.153) 29.077 10.653 ( -5.494 0.000 0.780) 5.549 11.120 ( -2.355 0.000 -9.521) 9.808 11.830 ( 10.207 0.000 -10.585) 14.705 12.531 ( -4.203 0.000 -11.929) 12.648 13.687 ( 8.650 0.000 17.181) 19.236 14.975 ( -0.067 0.000 -0.397) 0.403 14.992 ( 0.576 0.000 5.858) 5.886 15.727 ( 5.588 0.000 -17.788) 18.645 18.220 ( 10.436 0.000 -5.931) 12.003 19.491 ( 4.311 0.000 -6.427) 7.739 19.622 ( 8.164 0.000 0.708) 8.195 19.960 ( 4.915 0.000 3.771) 6.195 21.067 ( -21.836 0.000 -18.318) 28.502 21.256 ( -3.201 0.000 16.481) 16.789 23.629 ( -4.236 0.000 -0.430) 4.258 24.118 ( -0.215 0.000 -1.855) 1.867 ======================= Grid point 199 (91/260) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -0.251 20.805 19.059) 28.216 1.287 ( 7.391 14.088 24.818) 29.480 2.251 ( 6.004 8.861 44.400) 45.672 3.302 ( -2.472 2.653 -2.720) 4.533 3.415 ( 7.375 0.124 1.556) 7.538 3.579 ( 6.203 2.652 -3.415) 7.561 3.910 ( -1.808 -1.970 2.637) 3.756 4.142 ( -0.546 -0.101 -5.761) 5.788 4.813 ( -8.764 4.814 9.425) 13.741 4.911 ( 2.992 -4.827 4.400) 7.184 5.489 ( 1.513 -1.179 6.158) 6.450 5.682 ( 4.761 5.756 8.241) 11.123 5.914 ( -9.281 3.049 7.364) 12.234 7.057 ( -3.277 8.451 11.201) 14.410 7.620 ( 1.984 10.384 -16.842) 19.885 7.915 ( -2.725 3.929 6.513) 8.080 8.438 ( -8.521 10.171 -1.378) 13.340 8.764 ( 2.973 -4.579 18.606) 19.390 9.364 ( 10.285 7.650 -6.312) 14.287 10.258 ( 22.886 -12.353 8.821) 27.462 10.543 ( -6.259 -3.723 3.731) 8.182 11.385 ( 5.807 16.099 -17.864) 24.739 12.022 ( 6.238 6.448 -14.102) 16.714 12.511 ( 3.835 1.519 -8.349) 9.312 13.889 ( 12.462 -6.430 5.732) 15.149 14.876 ( -3.208 -5.081 -0.376) 6.021 15.085 ( 1.557 4.196 1.995) 4.900 15.693 ( 1.830 -7.038 -17.061) 18.546 17.453 ( -47.348 -39.671 21.419) 65.379 18.797 ( -23.919 11.367 -16.856) 31.392 19.669 ( 0.754 -3.299 0.965) 3.519 19.900 ( -0.494 4.279 -1.853) 4.689 21.107 ( -14.705 0.985 9.369) 17.464 21.839 ( 58.066 -16.237 4.972) 60.498 23.953 ( 7.578 20.083 -7.993) 22.905 24.138 ( -2.051 4.514 -3.026) 5.809 ======================= Grid point 200 (92/260) ======================= q-point: ( 0.10 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 7.078 15.639 18.423) 25.182 1.619 ( 16.688 10.788 19.944) 28.153 2.637 ( 21.745 4.354 40.031) 45.764 3.267 ( -0.522 2.089 -2.943) 3.646 3.540 ( 4.631 5.176 -6.354) 9.413 3.670 ( 3.014 -6.499 -2.022) 7.444 3.896 ( -0.821 -1.962 6.018) 6.383 4.157 ( 4.135 2.319 1.088) 4.864 4.623 ( -11.850 7.972 6.394) 15.648 4.921 ( -2.112 -3.513 0.837) 4.183 5.514 ( -0.072 -3.002 7.082) 7.692 5.827 ( 3.262 8.744 6.863) 11.584 5.989 ( 13.727 -2.141 -0.825) 13.918 7.013 ( -3.733 9.551 12.143) 15.894 7.627 ( 2.227 9.013 -13.558) 16.432 7.870 ( -2.840 6.310 3.919) 7.952 8.242 ( -10.026 8.701 -2.237) 13.462 8.851 ( 0.694 -3.565 23.408) 23.688 9.557 ( 9.034 6.170 -3.060) 11.360 10.461 ( -1.539 -6.405 -0.954) 6.656 10.693 ( 18.289 -10.155 0.092) 20.919 11.518 ( 12.291 14.462 -20.409) 27.870 12.026 ( -3.214 3.989 -11.221) 12.335 12.649 ( 11.884 1.699 -7.673) 14.248 14.046 ( -2.356 -10.570 7.269) 13.043 14.783 ( -6.288 -7.220 -0.973) 9.623 15.085 ( -1.924 6.324 -1.534) 6.786 15.663 ( -1.012 -7.795 -13.364) 15.504 16.529 ( -32.755 -7.291 24.759) 41.702 18.729 ( 9.002 -2.546 0.537) 9.371 19.622 ( -5.727 -2.011 -0.200) 6.073 19.841 ( -5.355 3.976 -0.916) 6.732 20.723 ( -24.388 2.892 3.210) 24.768 22.847 ( 41.037 -28.447 -6.078) 50.301 24.057 ( -4.821 3.427 -4.023) 7.153 24.116 ( 9.250 17.497 -8.954) 21.722 ======================= Grid point 201 (93/260) ======================= q-point: ( 0.20 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 15.498 7.132 15.296) 22.914 1.983 ( 15.694 6.972 18.062) 24.923 3.180 ( 13.866 -4.812 10.513) 18.054 3.276 ( 10.761 7.320 13.605) 18.828 3.552 ( -1.426 4.482 -6.973) 8.411 3.674 ( -1.076 -1.891 -5.022) 5.473 3.932 ( 4.304 -6.869 1.483) 8.241 4.233 ( -5.767 -1.310 10.811) 12.322 4.471 ( 2.196 13.224 3.522) 13.860 4.878 ( -1.979 -1.148 -0.739) 2.404 5.525 ( -0.447 -3.517 7.452) 8.252 5.876 ( 0.874 9.167 5.449) 10.699 6.221 ( 8.514 -4.644 -6.033) 11.421 6.975 ( -2.847 10.293 13.182) 16.965 7.637 ( 1.202 6.955 -9.464) 11.806 7.816 ( -3.903 7.528 3.341) 9.114 8.059 ( -7.617 10.103 -1.083) 12.699 8.899 ( -1.745 -1.486 27.426) 27.522 9.691 ( 5.579 0.699 0.138) 5.624 10.499 ( 6.194 -4.655 -6.781) 10.296 10.965 ( 10.641 1.341 -4.381) 11.586 11.735 ( 9.701 4.378 -18.488) 21.333 11.875 ( -5.822 6.176 -8.035) 11.687 12.921 ( 16.745 0.638 -6.484) 17.967 13.794 ( -22.444 -5.965 26.950) 35.575 14.669 ( -4.502 -8.541 -4.272) 10.558 15.012 ( -4.625 6.913 -6.640) 10.642 15.607 ( -1.725 -7.727 -6.085) 9.986 16.420 ( 12.041 -1.274 3.682) 12.656 18.969 ( 12.289 -10.139 8.460) 18.038 19.434 ( -13.374 -0.623 -0.392) 13.394 19.711 ( -6.466 3.529 -1.009) 7.435 20.217 ( -26.004 5.854 -0.706) 26.664 23.447 ( 23.224 -25.102 -6.253) 34.764 23.916 ( -7.679 3.064 -6.093) 10.270 24.260 ( 6.642 11.182 -7.664) 15.096 ======================= Grid point 202 (94/260) ======================= q-point: ( 0.30 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 19.395 1.271 12.212) 22.955 2.317 ( 14.085 4.235 16.084) 21.795 3.124 ( -7.624 1.502 0.115) 7.771 3.420 ( -6.429 0.062 -7.572) 9.933 3.590 ( -2.441 1.112 -4.525) 5.260 3.859 ( 20.771 0.356 15.769) 26.081 3.998 ( -7.808 -0.568 -3.039) 8.398 4.064 ( 3.986 -3.473 1.251) 5.433 4.662 ( 9.616 5.842 7.080) 13.293 4.851 ( 0.490 1.894 1.181) 2.285 5.530 ( -0.876 -3.107 6.981) 7.691 5.881 ( -1.967 7.780 4.150) 9.035 6.304 ( 2.532 -2.420 -4.701) 5.862 6.973 ( -0.389 9.212 14.294) 17.010 7.621 ( -1.247 6.482 -6.179) 9.042 7.726 ( -5.814 5.540 4.627) 9.268 7.955 ( -3.002 14.186 3.126) 14.833 8.909 ( -3.736 -0.588 29.449) 29.691 9.815 ( 7.740 -2.805 -1.184) 8.317 10.640 ( 8.833 -2.386 -7.238) 11.667 11.119 ( 6.781 8.768 -7.943) 13.636 11.548 ( -14.739 -0.461 -8.595) 17.068 11.999 ( 9.288 7.759 -11.474) 16.677 13.233 ( 12.017 -4.450 2.128) 12.990 13.497 ( -7.950 0.776 20.035) 21.569 14.534 ( -9.177 -9.972 -9.038) 16.290 14.882 ( -6.079 5.897 -4.624) 9.649 15.581 ( -0.457 -6.672 -0.620) 6.716 16.808 ( 24.925 -0.963 -7.116) 25.939 19.115 ( -17.639 0.183 0.116) 17.640 19.151 ( 0.858 -12.064 6.052) 13.524 19.660 ( 0.808 6.783 8.421) 10.843 19.746 ( -17.828 4.499 -5.493) 19.190 23.692 ( -5.327 -3.570 -0.631) 6.444 23.834 ( 10.620 -13.922 -13.535) 22.132 24.336 ( 2.735 6.338 -5.675) 8.936 ======================= Grid point 203 (95/260) ======================= q-point: ( 0.40 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 19.725 -1.882 9.937) 22.167 2.577 ( 6.303 0.588 13.084) 14.535 2.958 ( -7.130 4.959 3.182) 9.250 3.244 ( -10.218 0.484 0.185) 10.232 3.450 ( -9.419 5.353 -9.261) 14.253 3.790 ( -5.663 -5.403 -1.925) 8.061 4.155 ( 3.295 -3.553 -7.329) 8.787 4.269 ( 11.206 -1.928 -2.158) 11.574 4.777 ( 5.309 -1.152 3.815) 6.638 4.980 ( 8.178 7.604 11.444) 15.989 5.514 ( -2.572 -1.752 5.743) 6.532 5.798 ( -7.064 6.802 3.539) 10.425 6.364 ( 5.219 1.167 -0.091) 5.348 7.032 ( 2.953 5.348 15.105) 16.293 7.558 ( -3.586 6.855 -4.160) 8.784 7.632 ( -4.643 3.661 6.094) 8.491 7.950 ( 0.920 18.217 8.019) 19.925 8.900 ( -3.721 -1.721 29.805) 30.086 9.977 ( 8.483 -2.237 -4.065) 9.669 10.786 ( 6.797 -1.659 -4.120) 8.119 11.115 ( -11.147 1.719 -13.420) 17.530 11.309 ( -1.102 9.614 -4.820) 10.811 12.067 ( -0.335 7.432 -6.884) 10.136 13.264 ( -3.898 -6.248 21.687) 22.903 13.706 ( 18.397 -0.056 -10.519) 21.192 14.254 ( -15.279 -8.305 -11.687) 20.952 14.795 ( -2.294 3.663 2.284) 4.888 15.569 ( -1.094 -6.001 0.411) 6.114 17.305 ( 26.548 0.745 -8.637) 27.928 18.783 ( -14.739 0.667 -1.821) 14.866 19.038 ( -10.192 -1.982 -2.592) 10.701 19.367 ( -14.579 5.218 1.456) 15.553 19.920 ( 15.190 -2.982 14.383) 21.131 23.515 ( -9.104 -0.740 -7.442) 11.782 24.016 ( 8.325 -13.923 -10.966) 19.581 24.344 ( -0.714 3.405 -3.711) 5.086 ======================= Grid point 204 (96/260) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -14.623 0.396 8.868) 17.106 2.789 ( 15.718 -0.857 8.207) 17.752 2.844 ( -13.131 -1.168 6.197) 14.567 3.149 ( 5.306 5.674 7.359) 10.701 3.259 ( -5.647 3.474 -13.024) 14.614 3.723 ( -1.463 -5.523 -5.459) 7.902 4.059 ( -11.125 1.586 -9.372) 14.633 4.359 ( 2.021 -7.597 -9.644) 12.442 4.955 ( 8.457 1.014 5.784) 10.295 5.119 ( 2.485 5.760 12.180) 13.701 5.442 ( -5.842 0.153 6.746) 8.925 5.680 ( -4.295 7.480 4.018) 9.515 6.510 ( 8.785 3.192 3.148) 9.863 7.149 ( 4.892 0.347 15.252) 16.021 7.488 ( -1.803 6.181 -4.276) 7.729 7.581 ( -1.907 2.513 7.761) 8.377 8.015 ( 3.225 20.688 10.398) 23.378 8.906 ( -2.607 -3.196 28.864) 29.157 10.089 ( 2.922 -1.583 -5.540) 6.460 10.751 ( -19.401 -0.889 -12.879) 23.304 10.879 ( 3.190 -0.333 -1.878) 3.717 11.357 ( 3.993 14.306 -5.865) 15.968 11.977 ( -6.515 6.973 -5.035) 10.789 13.263 ( -1.572 -7.960 15.384) 17.393 13.774 ( -13.456 -1.709 -20.030) 24.191 14.177 ( 15.265 -6.726 -3.131) 16.972 14.796 ( 1.453 3.364 4.767) 6.012 15.535 ( -2.165 -5.851 -0.563) 6.264 17.787 ( 23.646 3.876 -5.072) 24.492 18.520 ( -11.953 -0.099 -8.867) 14.883 18.838 ( -7.333 5.419 0.268) 9.122 19.191 ( -3.161 -0.944 1.226) 3.519 20.273 ( 15.891 -3.954 20.330) 26.105 23.305 ( -10.140 -4.749 -14.606) 18.403 24.106 ( 3.431 -9.081 -9.739) 13.751 24.297 ( -3.114 2.468 -2.635) 4.767 ======================= Grid point 205 (97/260) ======================= q-point: (-0.40 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -18.967 2.803 8.975) 21.170 2.455 ( -23.637 2.032 9.184) 25.440 3.066 ( 4.552 -4.476 -4.576) 7.855 3.166 ( 4.747 -0.323 -4.849) 6.794 3.359 ( 7.717 6.703 7.473) 12.662 3.619 ( -12.758 -2.798 -7.853) 15.240 3.817 ( -4.139 2.130 -2.446) 5.258 4.320 ( -3.742 -2.409 -9.720) 10.690 5.027 ( -2.581 -0.546 8.290) 8.699 5.179 ( 2.130 2.580 8.873) 9.483 5.365 ( -3.261 2.287 8.511) 9.397 5.640 ( -1.779 8.611 3.860) 9.603 6.701 ( 9.100 3.857 4.731) 10.958 7.265 ( 2.840 -4.106 12.579) 13.533 7.481 ( 2.211 5.365 -4.673) 7.451 7.601 ( 2.057 0.237 8.527) 8.775 8.116 ( 4.611 20.532 9.384) 23.041 8.923 ( -2.423 -4.173 25.402) 25.857 10.034 ( -7.606 -2.652 -4.713) 9.333 10.325 ( -20.526 1.226 -11.157) 23.394 10.908 ( 0.168 1.892 -1.033) 2.162 11.414 ( 3.102 17.077 -5.964) 18.353 11.821 ( -7.251 5.225 -6.431) 11.011 13.202 ( -9.339 -11.030 0.460) 14.459 13.483 ( -8.111 1.423 -2.538) 8.617 14.504 ( 16.492 -7.405 -4.865) 18.721 14.862 ( 3.778 4.035 3.893) 6.761 15.493 ( -1.250 -5.891 -2.651) 6.580 18.169 ( 7.992 5.398 3.015) 10.104 18.275 ( -2.527 1.150 -13.313) 13.599 18.814 ( 4.948 -1.294 2.035) 5.505 19.252 ( 8.569 2.020 0.894) 8.849 20.622 ( 14.270 -3.092 23.309) 27.504 23.023 ( -14.712 -11.037 -24.750) 30.835 24.112 ( -1.216 -3.876 -4.499) 6.061 24.224 ( -2.818 3.646 -5.091) 6.866 ======================= Grid point 206 (98/260) ======================= q-point: (-0.30 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -19.306 5.504 9.511) 22.214 1.989 ( -25.361 1.712 10.969) 27.684 3.054 ( -1.863 -1.559 -4.486) 5.101 3.107 ( -21.704 7.059 3.875) 23.150 3.326 ( 3.969 0.241 -5.798) 7.031 3.550 ( 2.789 4.916 3.555) 6.677 3.859 ( 4.442 -3.990 2.517) 6.480 4.204 ( -4.025 3.714 -10.349) 11.709 4.986 ( -2.915 -3.816 12.431) 13.326 5.191 ( -3.798 0.165 7.269) 8.203 5.352 ( 0.204 3.010 6.713) 7.360 5.607 ( -2.486 10.338 4.666) 11.612 6.864 ( 5.503 3.305 5.624) 8.534 7.287 ( -3.654 -9.858 5.999) 12.104 7.545 ( 4.714 5.320 -5.625) 9.065 7.690 ( 4.776 -1.372 8.469) 9.819 8.238 ( 6.089 18.663 5.588) 20.411 8.902 ( -5.419 -3.549 16.239) 17.484 9.786 ( -15.396 -2.540 -3.110) 15.911 9.929 ( -16.969 4.165 -0.111) 17.473 10.878 ( -2.983 2.420 -1.371) 4.079 11.442 ( 0.731 20.305 -8.208) 21.913 11.703 ( -1.796 3.305 -7.525) 8.413 12.933 ( -13.375 -6.042 -11.407) 18.588 13.445 ( 0.194 -1.716 12.925) 13.040 14.771 ( 11.028 -5.910 -1.354) 12.585 14.939 ( 2.732 3.106 1.670) 4.461 15.495 ( 3.036 -6.051 -7.464) 10.077 17.995 ( -9.088 -7.422 -5.753) 13.068 18.541 ( 16.711 8.015 7.093) 19.844 19.024 ( 14.568 -4.747 -0.269) 15.324 19.488 ( 13.926 5.713 1.533) 15.130 20.931 ( 11.377 -1.677 24.040) 26.649 22.577 ( -24.605 -17.525 -35.610) 46.697 24.037 ( -5.034 3.135 -2.369) 6.386 24.183 ( -0.295 4.342 -5.630) 7.116 ======================= Grid point 207 (99/260) ======================= q-point: (-0.20 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -18.799 7.929 9.688) 22.586 1.564 ( -19.348 5.617 19.182) 27.818 2.609 ( -25.939 15.090 19.734) 35.916 3.104 ( 4.593 -2.627 -0.994) 5.384 3.388 ( 3.980 2.800 -8.227) 9.559 3.538 ( -4.355 5.422 1.357) 7.086 3.930 ( 1.668 -5.979 2.622) 6.738 4.156 ( 0.882 4.434 -8.535) 9.658 4.971 ( -2.232 -3.069 13.112) 13.650 5.070 ( -9.597 -0.497 8.138) 12.592 5.385 ( 1.456 1.669 4.588) 5.095 5.584 ( -0.567 10.900 6.282) 12.594 6.865 ( -11.878 -8.522 1.151) 14.664 7.143 ( -8.398 -5.302 5.245) 11.231 7.605 ( 3.665 6.542 -16.191) 17.843 7.824 ( 5.843 2.310 11.763) 13.336 8.381 ( 7.232 14.644 2.526) 16.526 8.782 ( -7.806 0.716 7.659) 10.959 9.469 ( -14.834 0.185 -3.286) 15.195 9.733 ( -3.652 2.769 17.372) 17.966 10.789 ( -5.694 1.279 0.105) 5.837 11.399 ( -1.664 15.811 -11.737) 19.761 11.741 ( 6.755 8.103 -8.697) 13.672 12.680 ( -9.263 -2.343 -11.387) 14.865 13.511 ( 3.086 -2.626 16.159) 16.659 14.928 ( 4.597 -2.705 -0.159) 5.336 14.969 ( 0.710 1.076 3.806) 4.019 15.573 ( 6.681 -6.212 -14.160) 16.844 17.863 ( -3.581 -17.776 -0.249) 18.135 18.983 ( 26.580 2.305 12.836) 29.607 19.311 ( 13.469 -3.247 -2.543) 14.086 19.773 ( 13.993 7.523 4.347) 16.471 21.156 ( 4.983 -1.502 20.683) 21.328 21.859 ( -39.232 -18.035 -40.653) 59.304 23.933 ( -3.946 10.306 -5.301) 12.242 24.173 ( 0.059 4.992 -3.035) 5.842 ======================= Grid point 208 (100/260) ======================= q-point: (-0.10 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -7.834 12.556 20.178) 25.024 1.333 ( -9.877 14.016 21.953) 27.855 2.248 ( -14.886 15.306 34.478) 40.554 3.230 ( 7.436 -3.074 3.310) 8.701 3.416 ( -4.902 5.045 0.765) 7.076 3.474 ( 4.853 5.908 -9.955) 12.552 3.939 ( -1.134 -5.811 2.470) 6.415 4.159 ( 0.667 2.277 -7.331) 7.705 4.903 ( -6.811 -1.109 8.260) 10.763 4.933 ( -5.190 0.601 12.343) 13.403 5.432 ( 2.333 0.946 4.834) 5.451 5.615 ( 1.779 9.089 7.193) 11.727 6.351 ( -32.045 -11.289 -0.091) 33.976 7.086 ( -2.204 6.738 9.941) 12.209 7.622 ( 2.329 9.351 -18.935) 21.246 7.924 ( 0.810 3.772 10.237) 10.940 8.504 ( 3.339 11.040 0.495) 11.544 8.704 ( -2.272 -0.491 13.321) 13.522 9.271 ( -1.848 4.451 -6.451) 8.052 9.861 ( 11.897 -3.779 19.955) 23.537 10.667 ( -6.800 -0.738 2.898) 7.428 11.359 ( 1.018 13.967 -14.270) 19.994 11.886 ( 9.545 9.226 -12.409) 18.171 12.529 ( -3.338 0.331 -9.851) 10.407 13.652 ( 8.064 -3.128 14.382) 16.782 14.927 ( -1.977 -2.876 -0.370) 3.509 15.033 ( 2.796 2.052 4.456) 5.647 15.661 ( 5.428 -6.394 -17.540) 19.443 17.821 ( -3.988 -32.162 7.980) 33.376 19.411 ( -2.671 -11.488 -10.653) 15.893 19.550 ( 14.586 1.520 0.778) 14.685 19.986 ( -3.085 1.289 -1.907) 3.850 20.997 ( -4.510 -3.067 -4.557) 7.108 21.312 ( -4.802 2.257 11.174) 12.369 23.884 ( 0.994 16.989 -7.152) 18.460 24.165 ( -0.396 4.949 -2.222) 5.440 ======================= Grid point 209 (101/260) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 1.049 17.850 19.995) 26.823 1.665 ( 6.387 20.672 17.257) 27.676 2.534 ( 0.123 17.291 28.105) 32.998 3.288 ( 6.785 -6.125 4.570) 10.220 3.456 ( -2.712 6.128 1.067) 6.786 3.632 ( -1.883 -0.710 3.410) 3.959 3.889 ( 5.127 2.801 -2.449) 6.335 4.188 ( -1.072 4.292 -6.005) 7.458 4.819 ( -1.145 -3.347 5.420) 6.472 4.913 ( -3.876 4.253 7.809) 9.700 5.436 ( -0.150 -4.519 4.078) 6.089 5.746 ( 1.098 0.407 8.646) 8.725 6.055 ( -1.874 9.209 1.544) 9.523 7.295 ( -0.869 13.575 11.845) 18.037 7.836 ( 0.708 9.672 -15.640) 18.403 8.053 ( -0.091 9.611 6.945) 11.858 8.638 ( -7.115 2.525 7.676) 10.767 8.708 ( 1.594 5.397 9.105) 10.704 9.532 ( 10.477 7.786 -4.163) 13.701 10.123 ( 16.135 -0.571 14.802) 21.903 10.426 ( -7.901 -7.450 1.851) 11.016 11.414 ( 5.159 -9.778 -7.778) 13.518 12.306 ( 0.150 16.127 -12.105) 20.166 12.605 ( 5.908 8.458 -11.648) 15.561 13.752 ( 8.011 -5.869 3.015) 10.378 14.775 ( -5.065 -4.818 -2.465) 7.412 15.137 ( 4.223 -0.759 0.881) 4.380 15.484 ( 0.028 -11.715 -16.781) 20.466 16.772 ( -27.200 -25.377 23.176) 43.828 18.906 ( -18.702 1.097 -24.894) 31.155 19.601 ( 0.764 -2.899 0.897) 3.129 19.990 ( 0.655 4.022 -5.206) 6.611 21.135 ( -11.978 1.593 10.320) 15.891 21.560 ( 36.175 -10.729 9.429) 38.893 24.184 ( 2.232 5.491 -3.580) 6.925 24.321 ( 1.496 9.414 -6.577) 11.581 ======================= Grid point 210 (102/260) ======================= q-point: ( 0.10 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 1.595 19.285 15.107) 24.549 1.890 ( 10.834 14.395 18.449) 25.787 2.767 ( 15.289 7.580 23.495) 29.038 3.369 ( 1.752 4.287 2.186) 5.121 3.490 ( 4.142 -5.631 0.297) 6.997 3.627 ( 1.316 0.881 4.873) 5.124 3.887 ( -4.262 1.281 -0.665) 4.500 4.226 ( 4.825 5.050 -0.904) 7.042 4.766 ( -6.124 1.514 2.012) 6.621 4.865 ( -1.504 1.849 4.985) 5.526 5.455 ( 0.918 -3.385 4.646) 5.821 5.883 ( 9.251 -2.679 4.562) 10.656 6.067 ( 2.048 8.490 0.413) 8.743 7.286 ( -2.882 15.576 13.117) 20.566 7.802 ( -0.460 7.201 -8.885) 11.446 8.092 ( 1.640 14.849 1.391) 15.004 8.458 ( -8.987 10.669 1.606) 14.042 8.802 ( 2.216 0.170 18.646) 18.778 9.676 ( 2.764 4.219 -0.467) 5.065 10.277 ( 1.835 -8.746 -6.305) 10.937 10.613 ( 21.695 -0.210 13.689) 25.654 11.547 ( 9.423 -9.190 -7.981) 15.393 12.222 ( -5.604 12.241 -10.938) 17.346 12.752 ( 11.296 8.366 -10.844) 17.754 13.837 ( -2.153 -8.063 5.144) 9.803 14.644 ( -7.342 -6.302 -4.107) 10.511 15.195 ( 0.942 3.560 -1.437) 3.952 15.416 ( -2.587 -15.192 -13.031) 20.182 16.357 ( -14.247 -8.445 18.333) 24.706 18.669 ( -0.895 -2.977 -10.812) 11.250 19.578 ( -4.043 -2.121 -1.047) 4.684 19.928 ( -5.823 4.099 -3.775) 8.060 20.799 ( -21.560 4.234 5.657) 22.689 22.324 ( 35.843 -21.732 3.296) 42.046 24.147 ( -4.943 5.040 -2.852) 7.614 24.365 ( 3.804 7.114 -7.050) 10.714 ======================= Grid point 211 (103/260) ======================= q-point: ( 0.20 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 7.430 13.918 12.855) 20.351 2.159 ( 12.101 9.622 16.796) 22.829 3.090 ( 9.591 -3.560 5.184) 11.469 3.470 ( 8.773 6.749 8.194) 13.772 3.532 ( 0.275 -7.853 -1.187) 7.947 3.638 ( -3.431 2.895 -6.694) 8.060 3.878 ( 6.634 1.359 12.058) 13.830 4.248 ( -5.377 3.589 -0.224) 6.469 4.690 ( 0.026 4.641 0.336) 4.653 4.856 ( 0.187 1.324 3.317) 3.577 5.486 ( 0.968 -0.759 5.608) 5.742 6.013 ( 1.855 1.027 1.650) 2.687 6.154 ( 6.771 1.490 -1.000) 7.005 7.246 ( -4.210 14.413 13.818) 20.406 7.780 ( -0.577 6.589 -4.677) 8.101 8.082 ( -3.180 17.646 0.625) 17.941 8.334 ( -3.565 15.373 2.729) 16.015 8.875 ( -0.038 -0.315 22.378) 22.381 9.663 ( -1.006 -3.889 -0.035) 4.017 10.395 ( 10.666 -4.214 -10.699) 15.685 11.051 ( 18.374 5.632 12.059) 22.688 11.683 ( 3.116 -7.236 -10.693) 13.282 12.087 ( -2.513 11.221 -10.169) 15.351 12.977 ( 12.902 4.817 -6.519) 15.237 13.681 ( -13.900 -3.839 15.261) 20.996 14.488 ( -7.188 -8.900 -6.616) 13.215 15.133 ( -5.775 4.170 -9.124) 11.576 15.375 ( 0.560 -13.639 -1.383) 13.721 16.387 ( 13.183 -1.812 3.118) 13.668 18.747 ( 8.163 -10.401 -1.738) 13.336 19.418 ( -12.101 -0.867 -1.120) 12.184 19.776 ( -7.347 2.631 -3.938) 8.741 20.369 ( -22.452 8.271 4.644) 24.374 22.934 ( 26.023 -23.726 -0.703) 35.222 23.998 ( -8.997 4.556 -5.059) 11.282 24.410 ( 2.020 3.943 -5.157) 6.799 ======================= Grid point 212 (104/260) ======================= q-point: ( 0.30 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 13.344 6.419 9.994) 17.865 2.430 ( 11.490 6.719 13.476) 18.942 3.146 ( -2.019 -0.679 -0.771) 2.266 3.422 ( -9.792 -0.242 -2.248) 10.050 3.565 ( 0.829 -2.319 -4.379) 5.024 3.712 ( 6.980 -12.047 2.626) 14.169 4.034 ( -9.003 3.432 -6.383) 11.558 4.159 ( 13.275 10.983 10.369) 20.109 4.692 ( -0.881 -3.867 -2.828) 4.871 4.947 ( 7.605 6.640 9.008) 13.530 5.518 ( 0.861 1.926 6.205) 6.554 5.999 ( -3.270 2.310 1.673) 4.339 6.282 ( 6.565 1.914 -0.759) 6.880 7.191 ( -4.315 10.696 13.855) 18.028 7.744 ( -2.467 5.962 -1.968) 6.746 7.990 ( -5.964 17.991 2.059) 19.065 8.326 ( 1.401 20.691 6.227) 21.653 8.882 ( -4.417 -1.904 22.995) 23.493 9.727 ( 8.145 -5.311 -2.806) 10.120 10.587 ( 10.406 -2.393 -9.026) 13.981 11.368 ( 11.268 13.179 8.155) 19.161 11.526 ( -13.636 -1.460 -11.244) 17.734 12.149 ( 7.713 6.080 -9.713) 13.813 13.173 ( 3.867 -0.667 6.869) 7.911 13.505 ( -2.182 0.049 8.981) 9.243 14.306 ( -10.114 -11.817 -9.852) 18.412 14.980 ( -6.547 3.163 -6.669) 9.866 15.399 ( 1.013 -9.763 1.845) 9.987 16.792 ( 26.356 -0.382 -6.697) 27.196 18.906 ( 6.470 -11.437 -0.057) 13.141 19.121 ( -16.614 0.460 -0.935) 16.647 19.678 ( -0.924 -1.094 -1.958) 2.426 19.956 ( -20.511 11.750 7.235) 24.720 23.361 ( 18.023 -20.984 -1.405) 27.697 23.780 ( -11.223 1.751 -9.273) 14.663 24.420 ( 0.032 2.171 -3.727) 4.313 ======================= Grid point 213 (105/260) ======================= q-point: ( 0.40 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 15.651 -0.136 6.954) 17.127 2.631 ( 4.317 4.878 8.085) 10.383 3.064 ( -5.663 2.952 1.260) 6.509 3.228 ( -8.439 -1.083 3.349) 9.144 3.553 ( -3.766 3.056 -9.121) 10.331 3.633 ( -8.411 -9.330 -0.824) 12.589 3.994 ( 5.710 -6.927 -11.518) 14.603 4.332 ( -0.964 3.535 -6.007) 7.036 4.760 ( 10.076 -0.063 7.756) 12.716 5.129 ( 6.896 5.874 11.733) 14.823 5.541 ( -0.174 4.436 5.624) 7.165 5.899 ( -6.704 2.551 2.675) 7.656 6.429 ( 8.483 5.583 1.615) 10.283 7.154 ( -2.451 5.933 13.831) 15.248 7.680 ( -3.479 5.853 -0.467) 6.825 7.870 ( -6.455 16.514 3.458) 18.065 8.400 ( 3.684 23.652 9.120) 25.615 8.838 ( -4.454 -3.429 21.993) 22.701 9.923 ( 10.871 -2.630 -5.278) 12.368 10.748 ( 7.453 -1.910 -4.224) 8.777 11.167 ( -17.887 2.317 -13.451) 22.500 11.571 ( 7.188 15.383 6.723) 18.262 12.222 ( 0.646 6.175 -9.085) 11.004 13.149 ( -5.368 -3.341 18.020) 19.097 13.668 ( 14.022 -4.324 -4.699) 15.408 14.037 ( -14.140 -11.804 -11.855) 21.905 14.882 ( -2.083 4.469 -1.186) 5.072 15.407 ( -0.779 -8.896 1.508) 9.056 17.335 ( 29.864 2.324 -9.425) 31.402 18.801 ( -14.923 0.905 -3.281) 15.306 18.976 ( 2.036 -3.897 -2.710) 5.164 19.503 ( -19.735 6.886 0.443) 20.907 19.850 ( 9.523 -2.910 15.376) 18.319 23.498 ( -13.028 -0.938 -8.061) 15.349 23.671 ( 12.417 -18.579 -7.556) 23.590 24.397 ( -1.479 1.850 -3.106) 3.906 ======================= Grid point 214 (106/260) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -8.972 4.442 5.398) 11.374 2.687 ( 7.596 -4.241 2.005) 8.928 2.893 ( -10.334 1.196 3.438) 10.957 3.182 ( -0.143 -0.489 1.561) 1.642 3.376 ( -3.432 3.951 -2.807) 5.938 3.600 ( 0.855 -4.177 -7.624) 8.735 4.035 ( -2.193 -5.457 -6.331) 8.641 4.221 ( -2.810 -3.897 -13.298) 14.139 5.006 ( 9.891 3.705 8.329) 13.451 5.224 ( -1.005 4.003 12.556) 13.217 5.527 ( -2.486 7.348 5.131) 9.301 5.796 ( -3.277 3.472 3.872) 6.147 6.619 ( 9.952 7.516 3.978) 13.090 7.157 ( -0.812 0.595 13.663) 13.700 7.616 ( -2.537 5.721 -0.987) 6.336 7.770 ( -4.340 13.641 5.112) 15.200 8.493 ( 3.305 23.221 9.589) 25.340 8.821 ( -2.380 -2.997 21.055) 21.400 10.055 ( 2.571 -1.505 -7.479) 8.051 10.770 ( -17.829 2.332 -10.377) 20.760 10.875 ( 4.805 0.106 -1.351) 4.992 11.708 ( 5.897 18.739 3.955) 20.039 12.134 ( -6.772 6.767 -8.621) 12.883 13.087 ( -5.134 -7.322 12.816) 15.628 13.704 ( -13.130 -5.200 -14.455) 20.209 13.980 ( 15.349 -12.152 -1.501) 19.634 14.890 ( 2.445 5.273 0.718) 5.857 15.379 ( -2.107 -8.547 0.656) 8.828 17.896 ( 28.777 6.402 -7.749) 30.482 18.522 ( -12.418 0.299 -7.981) 14.764 18.985 ( -7.038 8.151 -0.039) 10.769 19.167 ( -5.954 -1.110 2.449) 6.533 20.156 ( 15.741 -7.135 19.987) 26.423 23.169 ( -16.927 -8.323 -17.735) 25.891 23.878 ( 9.271 -11.652 -2.974) 15.184 24.351 ( -2.314 2.406 -3.618) 4.923 ======================= Grid point 215 (107/260) ======================= q-point: (-0.40 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -15.891 8.828 6.921) 19.451 2.465 ( -21.056 -0.984 1.667) 21.145 2.970 ( 5.543 -4.418 -3.011) 7.701 3.154 ( 3.130 -1.093 -5.218) 6.183 3.427 ( 0.852 -3.173 5.154) 6.112 3.591 ( 1.021 2.988 -4.258) 5.301 3.898 ( -6.770 5.079 -3.211) 9.052 4.217 ( 3.048 -7.554 -10.981) 13.672 5.068 ( -7.204 4.138 8.240) 11.701 5.221 ( 0.994 2.346 10.714) 11.013 5.488 ( -2.595 8.054 5.730) 10.220 5.787 ( 0.486 5.016 3.435) 6.099 6.821 ( 8.753 7.600 5.823) 12.972 7.154 ( -3.500 -5.691 12.206) 13.915 7.593 ( 1.069 5.001 -3.520) 6.209 7.736 ( -0.280 10.587 7.158) 12.783 8.572 ( 2.759 21.588 8.392) 23.325 8.831 ( -1.622 -2.630 17.998) 18.262 9.971 ( -8.866 -3.253 -6.706) 11.582 10.392 ( -17.716 5.079 -6.939) 19.693 10.954 ( 1.940 2.441 0.205) 3.125 11.836 ( 6.546 20.942 2.424) 22.075 11.944 ( -9.642 6.598 -10.301) 15.576 12.980 ( -7.963 -9.032 3.597) 12.567 13.463 ( -7.691 -2.943 -5.312) 9.799 14.293 ( 16.317 -13.160 -2.140) 21.072 14.956 ( 3.402 4.384 -0.489) 5.570 15.341 ( -1.222 -7.792 -0.486) 7.902 18.240 ( -15.818 1.308 -7.194) 17.426 18.402 ( 21.958 11.048 -4.160) 24.931 18.765 ( -4.708 -3.578 1.282) 6.051 19.313 ( 13.167 3.696 1.698) 13.781 20.526 ( 16.238 -6.222 23.230) 29.018 22.742 ( -21.914 -15.045 -24.822) 36.370 24.020 ( 5.482 -4.566 -0.795) 7.179 24.298 ( -1.686 3.040 -5.431) 6.448 ======================= Grid point 216 (108/260) ======================= q-point: (-0.30 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -16.499 11.279 6.578) 21.040 2.046 ( -20.531 4.363 7.027) 22.134 2.987 ( 0.607 -4.301 -5.132) 6.724 3.242 ( -8.060 4.450 3.943) 10.016 3.330 ( 2.593 -1.608 -3.174) 4.403 3.664 ( 3.160 5.053 2.300) 6.388 3.814 ( -1.765 1.709 0.364) 2.483 4.251 ( 2.417 -0.376 -9.752) 10.054 4.929 ( -6.420 -0.435 10.418) 12.245 5.217 ( -4.629 2.417 8.732) 10.174 5.452 ( -2.187 5.586 4.864) 7.723 5.800 ( -0.188 7.323 3.097) 7.953 6.911 ( -6.279 -2.934 5.759) 9.011 7.100 ( -0.169 -2.234 10.630) 10.863 7.639 ( 4.791 4.285 -9.476) 11.450 7.806 ( 5.404 9.342 10.454) 15.025 8.638 ( 1.355 19.580 9.571) 21.836 8.826 ( -1.990 -3.093 8.702) 9.448 9.726 ( -13.323 -3.052 -4.059) 14.258 10.057 ( -15.138 8.120 2.187) 17.317 10.931 ( -4.137 2.558 -1.035) 4.973 11.712 ( -10.317 1.034 -10.692) 14.894 11.993 ( 8.488 26.152 -1.642) 27.544 12.808 ( -8.405 -4.343 -5.295) 10.842 13.385 ( -0.740 -4.087 4.723) 6.289 14.596 ( 14.575 -11.501 -1.373) 18.616 14.991 ( 0.045 0.977 -1.506) 1.795 15.348 ( 2.662 -6.515 -3.898) 8.045 17.869 ( -19.774 -4.203 0.071) 20.215 18.636 ( 8.871 -1.179 -0.712) 8.978 18.989 ( 20.660 3.836 -2.556) 21.168 19.610 ( 15.547 5.481 2.530) 16.678 20.881 ( 13.672 -3.265 24.278) 28.054 22.182 ( -28.743 -18.805 -30.116) 45.681 24.082 ( 1.155 1.739 -0.917) 2.280 24.277 ( 1.195 3.620 -6.324) 7.384 ======================= Grid point 217 (109/260) ======================= q-point: (-0.20 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -13.893 12.822 8.187) 20.602 1.765 ( -11.839 13.595 16.533) 24.461 2.937 ( -17.342 13.191 13.000) 25.372 3.030 ( 2.581 -3.523 0.206) 4.372 3.474 ( 8.549 4.424 -4.187) 10.497 3.655 ( -3.136 4.907 -3.479) 6.783 3.803 ( -1.397 -4.362 6.252) 7.750 4.260 ( 0.773 5.165 -9.263) 10.633 4.894 ( -0.128 -3.688 9.584) 10.269 5.084 ( -10.294 1.760 9.135) 13.875 5.429 ( -0.958 1.803 3.550) 4.095 5.796 ( -0.987 7.853 3.556) 8.677 6.611 ( -21.388 -11.374 4.006) 24.554 7.187 ( 3.680 6.315 10.300) 12.630 7.725 ( 6.373 5.880 -13.924) 16.404 7.970 ( 7.456 9.169 10.854) 16.046 8.620 ( -6.069 6.842 13.160) 16.026 8.829 ( 1.924 5.597 -1.496) 6.105 9.475 ( -10.229 0.445 -2.780) 10.609 9.849 ( -6.770 8.603 12.870) 16.896 10.802 ( -8.415 0.075 -0.259) 8.419 11.508 ( -7.278 -3.458 -10.962) 13.605 12.153 ( 8.333 26.235 -6.821) 28.359 12.655 ( -5.135 1.230 -8.737) 10.208 13.436 ( 4.009 -4.474 8.867) 10.710 14.836 ( 8.831 -6.947 -0.312) 11.240 14.965 ( -1.091 -2.725 -0.695) 3.016 15.415 ( 5.153 -7.216 -10.103) 13.442 17.502 ( -18.107 -15.256 7.989) 24.989 18.897 ( 17.138 -8.656 -2.203) 19.326 19.371 ( 17.754 7.217 -3.058) 19.407 19.901 ( 12.336 4.285 2.821) 13.360 21.123 ( 2.249 -1.371 17.190) 17.391 21.514 ( -27.767 -13.943 -23.474) 38.941 24.089 ( 0.977 5.339 -4.043) 6.768 24.301 ( 1.915 5.640 -4.801) 7.650 ======================= Grid point 218 (110/260) ======================= q-point: (-0.10 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -0.981 19.773 17.680) 26.542 1.641 ( -4.837 16.175 18.816) 25.280 2.637 ( -14.804 19.909 21.579) 32.881 3.136 ( 6.644 -5.818 4.675) 9.993 3.543 ( -4.811 5.413 1.184) 7.338 3.629 ( 4.048 8.134 -5.212) 10.474 3.794 ( 1.443 -5.786 2.747) 6.566 4.237 ( -1.152 4.921 -8.136) 9.578 4.887 ( -6.802 -0.581 6.071) 9.136 4.938 ( -1.977 0.088 11.196) 11.370 5.430 ( 0.051 -2.001 3.227) 3.798 5.772 ( -2.828 3.688 5.654) 7.319 6.214 ( -16.427 -0.439 3.777) 16.862 7.263 ( 1.526 9.817 10.765) 14.649 7.811 ( 5.439 9.132 -16.651) 19.754 8.070 ( -0.938 9.524 9.169) 13.254 8.574 ( 1.110 -2.832 12.911) 13.264 8.819 ( -4.836 9.558 1.478) 10.813 9.382 ( 3.164 5.766 -4.830) 8.160 9.866 ( 5.042 4.850 17.637) 18.974 10.616 ( -10.252 -3.793 1.425) 11.024 11.396 ( -1.411 -7.696 -9.511) 12.316 12.273 ( 5.660 22.465 -11.975) 26.079 12.577 ( -0.375 5.340 -9.771) 11.141 13.574 ( 7.794 -4.009 7.485) 11.526 14.861 ( -3.239 -3.511 -1.439) 4.989 15.036 ( 5.769 -3.744 1.308) 7.001 15.481 ( 3.957 -9.490 -15.280) 18.417 17.178 ( -18.977 -26.456 16.687) 36.586 19.172 ( 6.593 -10.767 -14.783) 19.440 19.608 ( 3.319 3.292 -4.474) 6.471 20.000 ( -2.742 0.142 -6.967) 7.488 20.968 ( 4.442 -0.123 3.180) 5.464 21.331 ( -2.694 0.039 13.091) 13.366 24.123 ( 3.653 6.850 -5.438) 9.479 24.318 ( 0.829 7.821 -4.487) 9.055 ======================= Grid point 219 (111/260) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 3.503 13.881 15.472) 21.079 2.096 ( 2.129 20.562 16.982) 26.753 2.855 ( -2.233 10.469 11.118) 15.434 3.138 ( 5.115 -6.529 7.342) 11.077 3.413 ( -3.121 -9.996 6.860) 12.519 3.733 ( -1.776 10.805 9.188) 14.294 4.012 ( 3.777 7.494 -4.285) 9.422 4.305 ( -0.141 6.766 -6.656) 9.493 4.782 ( -3.994 -0.364 3.358) 5.230 4.971 ( -0.070 1.032 6.364) 6.448 5.308 ( 0.572 -7.269 2.048) 7.574 5.712 ( 0.079 -3.464 9.558) 10.167 6.230 ( -0.805 6.946 -2.447) 7.408 7.580 ( 2.121 13.489 13.812) 19.422 8.002 ( -2.794 6.394 -12.225) 14.076 8.241 ( 2.302 4.500 9.457) 10.723 8.645 ( 6.603 4.137 10.795) 13.314 8.907 ( -4.508 10.000 5.424) 12.237 9.660 ( 9.881 4.237 -3.089) 11.186 10.208 ( -3.764 1.789 4.309) 5.995 10.257 ( 3.512 -2.445 11.313) 12.096 11.131 ( 3.447 -15.843 -0.250) 16.215 12.592 ( -4.169 12.584 -2.260) 13.448 12.824 ( 5.580 10.374 -14.115) 18.384 13.673 ( 6.916 -1.461 -2.286) 7.429 14.661 ( -5.660 -7.665 -6.051) 11.287 14.944 ( 5.492 -15.342 -2.796) 16.534 15.355 ( -0.575 -0.645 -11.504) 11.536 16.392 ( -17.745 -12.412 17.270) 27.698 18.894 ( -12.346 -1.489 -30.430) 32.873 19.556 ( -0.702 -1.433 0.906) 1.835 20.058 ( 2.157 2.535 -8.478) 9.107 21.170 ( -8.854 1.776 11.304) 14.468 21.384 ( 21.917 -6.561 11.503) 25.607 24.284 ( 1.703 4.311 -2.248) 5.152 24.441 ( 0.346 2.775 -3.604) 4.561 ======================= Grid point 220 (112/260) ======================= q-point: ( 0.10 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 2.621 16.415 11.818) 20.396 2.191 ( 4.435 14.824 17.779) 23.570 2.912 ( 5.228 5.684 7.744) 10.937 3.238 ( 3.792 -9.711 1.817) 10.583 3.400 ( -0.712 -9.543 9.553) 13.521 3.794 ( 6.027 12.001 13.075) 18.743 3.964 ( -6.152 8.437 -4.963) 11.561 4.351 ( 4.296 6.096 -3.872) 8.403 4.721 ( -3.211 -2.375 0.073) 3.995 4.937 ( -3.793 0.739 5.091) 6.391 5.375 ( 4.918 -3.598 2.800) 6.706 5.801 ( 6.218 -4.934 6.493) 10.255 6.230 ( 1.098 6.620 -1.884) 6.970 7.603 ( -3.524 14.280 14.694) 20.790 7.929 ( -1.160 5.211 -5.814) 7.893 8.354 ( 5.902 4.644 4.587) 8.800 8.674 ( -4.073 14.643 6.039) 16.354 8.914 ( 1.735 9.753 11.536) 15.206 9.701 ( -7.683 -1.936 0.341) 7.931 10.124 ( 7.072 -6.720 -7.681) 12.417 10.651 ( 22.955 3.975 18.406) 29.691 11.276 ( 10.387 -14.925 0.382) 18.187 12.476 ( -6.470 12.740 -4.882) 15.099 12.930 ( 7.815 7.032 -10.715) 15.011 13.740 ( -0.270 -1.336 -1.018) 1.701 14.507 ( -8.467 -8.123 -8.577) 14.534 15.018 ( 2.678 -16.397 -2.283) 16.771 15.299 ( -2.183 2.042 -10.062) 10.496 16.205 ( -3.190 -5.904 12.637) 14.308 18.616 ( -6.673 -2.011 -19.571) 20.775 19.540 ( -3.086 -1.500 -1.294) 3.667 20.001 ( -5.960 2.902 -7.348) 9.897 20.886 ( -18.367 3.951 7.637) 20.280 21.954 ( 29.049 -14.147 7.852) 33.251 24.253 ( -4.795 5.041 -1.923) 7.218 24.441 ( 0.743 0.923 -3.773) 3.954 ======================= Grid point 221 (113/260) ======================= q-point: ( 0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 1.909 16.167 11.025) 19.661 2.369 ( 9.179 10.376 13.356) 19.243 3.039 ( 5.081 -1.372 2.485) 5.820 3.309 ( 3.472 -11.267 -2.424) 12.037 3.402 ( -1.143 -10.350 8.193) 13.249 3.792 ( -8.529 6.053 -3.081) 10.903 4.035 ( 12.934 14.368 12.348) 22.939 4.364 ( -2.810 6.938 -5.530) 9.307 4.649 ( -3.927 -4.895 -3.576) 7.223 4.913 ( 1.562 -0.075 7.386) 7.550 5.488 ( 5.493 1.299 3.504) 6.644 5.933 ( 4.724 -5.728 3.529) 8.220 6.271 ( 3.759 6.651 -0.031) 7.640 7.520 ( -7.689 11.517 14.243) 19.865 7.910 ( -0.790 5.830 -2.225) 6.290 8.431 ( -0.753 9.365 0.856) 9.434 8.633 ( 0.115 15.566 8.755) 17.860 8.956 ( -0.960 10.237 13.931) 17.314 9.543 ( -3.860 -7.192 -1.542) 8.307 10.322 ( 12.209 -3.751 -8.201) 15.179 11.153 ( 21.586 3.689 19.075) 29.041 11.483 ( 9.204 -10.627 -4.160) 14.661 12.339 ( -5.192 13.710 -5.082) 15.516 13.065 ( 7.312 1.959 -6.189) 9.778 13.658 ( -7.572 1.738 3.768) 8.635 14.297 ( -10.355 -10.206 -10.249) 17.789 15.028 ( -1.031 -12.506 -4.496) 13.330 15.252 ( -0.416 1.804 -4.062) 4.465 16.351 ( 15.843 -1.511 2.158) 16.061 18.565 ( 4.180 -6.936 -9.829) 12.736 19.402 ( -10.584 -0.699 -2.227) 10.838 19.819 ( -9.661 1.572 -6.080) 11.523 20.536 ( -18.626 7.393 7.554) 21.416 22.502 ( 24.909 -17.540 3.504) 30.666 24.091 ( -10.710 4.201 -4.575) 12.381 24.446 ( 0.382 0.081 -2.588) 2.617 ======================= Grid point 222 (114/260) ======================= q-point: ( 0.30 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 6.057 11.128 9.005) 15.544 2.588 ( 10.041 8.097 8.506) 15.452 3.091 ( -0.354 -3.625 -1.186) 3.831 3.294 ( -5.521 -11.064 6.395) 13.921 3.449 ( 4.609 -12.515 -3.478) 13.783 3.633 ( -6.012 7.516 -2.936) 10.062 4.125 ( -7.469 4.697 -13.763) 16.349 4.412 ( 7.569 11.237 5.195) 14.510 4.563 ( 0.189 -6.202 0.470) 6.222 5.032 ( 7.028 0.438 11.600) 13.570 5.596 ( 4.319 5.022 4.116) 7.798 5.972 ( -1.466 -3.594 3.131) 4.987 6.392 ( 8.300 7.161 1.381) 11.049 7.389 ( -8.315 8.478 13.875) 18.263 7.872 ( -2.930 6.004 0.559) 6.704 8.324 ( -8.632 8.514 -0.576) 12.138 8.700 ( 2.240 13.623 11.033) 17.672 8.946 ( -1.608 13.263 11.933) 17.914 9.614 ( 10.518 -5.747 -1.173) 12.043 10.530 ( 10.363 -3.737 -6.286) 12.683 11.422 ( -2.938 -4.961 -2.200) 6.171 11.644 ( 12.127 8.774 7.653) 16.811 12.301 ( 2.211 10.744 -2.883) 11.342 13.163 ( 2.371 -2.777 2.632) 4.501 13.515 ( -6.072 1.916 3.546) 7.288 14.060 ( -11.034 -11.791 -11.407) 19.771 14.980 ( -1.884 -3.438 -4.929) 6.298 15.253 ( 0.283 -3.038 -0.098) 3.053 16.796 ( 28.573 0.716 -6.181) 29.243 18.693 ( 9.455 -8.765 -4.574) 13.680 19.133 ( -15.231 0.634 -2.663) 15.475 19.652 ( -5.181 -1.280 -2.480) 5.885 20.183 ( -19.463 9.773 8.977) 23.556 22.950 ( 20.421 -17.571 0.556) 26.946 23.819 ( -15.309 1.706 -7.646) 17.197 24.442 ( -0.252 0.303 -2.334) 2.367 ======================= Grid point 223 (115/260) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 8.560 4.118 6.127) 11.304 2.772 ( 5.921 8.237 2.225) 10.385 3.002 ( -8.304 -7.326 0.493) 11.085 3.199 ( -4.178 -4.523 8.092) 10.168 3.454 ( -4.318 -6.911 -6.437) 10.385 3.588 ( 2.105 2.258 -5.013) 5.887 3.934 ( -5.248 0.618 -17.587) 18.364 4.327 ( -7.333 -4.459 -11.419) 14.285 4.816 ( 14.584 5.604 13.506) 20.653 5.197 ( 5.859 0.784 13.594) 14.824 5.670 ( 2.147 6.949 4.358) 8.479 5.910 ( -5.098 -1.050 4.448) 6.847 6.587 ( 10.719 8.880 2.370) 14.120 7.274 ( -6.443 6.031 13.594) 16.207 7.802 ( -4.369 5.425 2.564) 7.423 8.132 ( -9.978 3.266 -0.458) 10.509 8.734 ( -0.335 9.834 7.833) 12.577 8.987 ( 2.112 19.674 13.661) 24.045 9.866 ( 12.973 -3.448 -2.093) 13.586 10.702 ( 8.449 -2.737 -2.201) 9.150 11.184 ( -15.388 -0.755 -13.575) 20.533 11.895 ( 9.461 13.867 12.593) 20.986 12.331 ( -0.393 6.939 -4.175) 8.108 13.143 ( -6.098 1.234 11.615) 13.176 13.492 ( 3.767 -12.566 -0.686) 13.137 13.822 ( -9.966 -8.117 -12.590) 17.992 14.954 ( 0.452 1.559 -3.242) 3.626 15.249 ( -0.749 -4.962 0.835) 5.087 17.398 ( 33.475 3.490 -9.624) 35.006 18.803 ( -11.430 -1.641 -8.168) 14.144 18.903 ( 6.856 -1.992 1.054) 7.217 19.584 ( -7.414 -0.015 -1.304) 7.527 19.856 ( -10.504 4.089 16.291) 19.810 23.284 ( 8.492 -16.801 -9.513) 21.092 23.493 ( -10.263 -0.387 -2.696) 10.618 24.424 ( -0.956 0.857 -3.061) 3.319 ======================= Grid point 224 (116/260) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 3.875 -2.378 2.715) 5.296 2.709 ( -12.093 3.541 2.185) 12.789 2.897 ( -1.221 1.921 -2.051) 3.064 3.162 ( -2.612 -1.781 1.905) 3.691 3.328 ( -3.595 -4.792 -5.043) 7.830 3.625 ( 2.251 2.389 -4.001) 5.175 3.879 ( 2.723 -6.600 -12.417) 14.323 4.171 ( -5.140 -2.519 -12.193) 13.470 5.094 ( 10.146 4.420 10.788) 15.455 5.284 ( -1.218 1.931 13.451) 13.644 5.695 ( -0.840 7.710 4.102) 8.773 5.831 ( -2.816 0.446 5.992) 6.636 6.806 ( 10.300 9.545 3.901) 14.575 7.190 ( -5.770 3.441 13.142) 14.760 7.723 ( -3.798 4.396 2.072) 6.168 7.958 ( -6.978 -0.108 0.383) 6.989 8.752 ( 0.949 9.064 5.181) 10.484 9.051 ( 0.369 19.946 15.562) 25.301 10.017 ( 1.440 -2.743 -4.888) 5.787 10.816 ( -12.295 1.585 -6.989) 14.231 10.882 ( 4.336 0.367 -3.564) 5.625 12.060 ( 3.047 10.177 7.520) 13.015 12.260 ( -3.219 10.597 -3.234) 11.537 13.012 ( -8.382 -0.041 7.942) 11.547 13.548 ( -5.500 -11.274 -5.137) 13.555 13.709 ( 7.961 -11.910 -5.463) 15.332 14.976 ( 1.929 1.559 -2.560) 3.564 15.233 ( -0.700 -3.758 0.898) 3.927 18.034 ( 32.701 6.462 -9.604) 34.689 18.531 ( -11.465 0.367 -8.437) 14.239 19.114 ( 12.266 2.145 0.963) 12.489 19.192 ( -26.372 5.383 2.520) 27.034 19.992 ( 13.599 -8.225 20.175) 25.683 22.970 ( -21.933 -10.269 -20.108) 31.478 23.679 ( 14.194 -6.877 3.214) 16.097 24.389 ( -1.695 1.286 -4.447) 4.930 ======================= Grid point 225 (117/260) ======================= q-point: (-0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -14.291 -1.450 1.338) 14.426 2.485 ( -11.091 10.226 2.273) 15.256 2.900 ( 0.994 -1.906 -4.748) 5.212 3.123 ( 2.636 -1.868 -5.670) 6.526 3.316 ( -0.235 -4.710 2.108) 5.166 3.652 ( 1.592 -0.282 1.326) 2.091 3.971 ( 7.181 -0.989 -6.503) 9.739 4.071 ( -1.640 -2.262 -12.551) 12.858 5.170 ( -8.437 5.043 9.344) 13.562 5.275 ( 1.673 2.455 10.837) 11.237 5.654 ( -4.102 7.317 4.092) 9.333 5.843 ( 1.695 0.753 5.889) 6.175 6.955 ( -0.992 1.147 5.613) 5.815 7.115 ( -1.202 6.371 12.410) 14.002 7.679 ( -0.261 3.267 -2.006) 3.842 7.885 ( -0.507 0.136 3.326) 3.367 8.795 ( 2.218 7.764 3.201) 8.686 9.061 ( -3.152 18.043 15.507) 23.999 9.901 ( -10.328 -3.722 -5.727) 12.382 10.508 ( -14.046 5.376 -3.971) 15.555 11.002 ( 3.270 2.097 -0.020) 3.885 11.932 ( -12.890 -3.763 -4.008) 14.013 12.344 ( 8.616 23.720 5.011) 25.729 12.884 ( -5.312 -0.167 1.961) 5.665 13.383 ( -6.942 -4.184 -7.331) 10.929 13.963 ( 15.609 -18.630 -0.692) 24.315 14.990 ( -0.550 -2.332 -2.531) 3.485 15.243 ( 1.822 -0.203 -0.206) 1.845 18.275 ( -12.894 2.506 -7.337) 15.046 18.642 ( 23.632 3.643 -5.632) 24.566 18.687 ( -16.456 3.757 -0.007) 16.879 19.394 ( 15.098 3.794 3.032) 15.860 20.371 ( 18.654 -8.440 23.450) 31.131 22.449 ( -25.800 -12.323 -23.208) 36.826 23.941 ( 11.390 -2.847 2.122) 11.930 24.342 ( -1.646 1.275 -6.089) 6.435 ======================= Grid point 226 (118/260) ======================= q-point: (-0.30 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -14.021 6.449 1.206) 15.480 2.262 ( -11.079 14.917 6.857) 19.806 2.886 ( -0.300 -5.215 -3.469) 6.270 3.202 ( -0.023 -9.934 -0.690) 9.958 3.327 ( 5.323 4.696 1.788) 7.320 3.714 ( 3.358 -0.627 3.672) 5.015 3.935 ( -5.521 7.585 -5.078) 10.668 4.183 ( 10.501 -4.939 -8.773) 14.547 4.982 ( -10.546 4.688 8.334) 14.236 5.271 ( -4.988 2.286 8.619) 10.217 5.560 ( -6.062 4.632 3.412) 8.358 5.883 ( 0.319 0.779 4.739) 4.813 6.762 ( -15.266 -7.050 5.868) 17.809 7.226 ( 5.729 10.437 12.107) 16.981 7.716 ( 5.262 2.926 -7.743) 9.809 7.948 ( 5.025 1.422 7.611) 9.230 8.830 ( -0.799 5.130 2.092) 5.597 9.009 ( -4.228 15.414 12.616) 20.363 9.662 ( -11.355 -3.443 -3.705) 12.431 10.251 ( -11.897 10.078 3.857) 16.062 10.976 ( -5.632 1.667 -1.431) 6.045 11.635 ( -15.253 -7.948 -5.244) 17.981 12.529 ( 7.845 24.311 4.428) 25.927 12.814 ( -1.473 5.467 -6.869) 8.902 13.283 ( -1.360 -5.557 -2.186) 6.124 14.282 ( 16.542 -18.895 -2.051) 25.196 14.944 ( -3.215 -4.741 -1.990) 6.064 15.294 ( 3.287 1.036 -2.932) 4.526 17.829 ( -29.036 0.163 3.808) 29.285 18.524 ( 4.003 -7.504 -5.891) 10.346 19.151 ( 23.717 9.592 -6.745) 26.458 19.699 ( 14.502 2.976 3.242) 15.155 20.796 ( 17.922 -4.762 24.941) 31.079 21.856 ( -28.584 -12.090 -24.460) 39.516 24.120 ( 6.009 1.982 0.181) 6.330 24.317 ( 1.311 0.353 -6.325) 6.469 ======================= Grid point 227 (119/260) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -7.648 12.946 7.667) 16.878 2.104 ( -6.838 18.797 10.847) 22.754 2.898 ( 1.613 -6.413 2.354) 7.019 3.114 ( -6.951 -1.470 7.208) 10.121 3.495 ( 6.911 0.237 0.412) 6.928 3.752 ( 0.880 3.014 -4.195) 5.240 3.836 ( -3.200 7.902 5.192) 9.982 4.332 ( 5.456 0.748 -8.296) 9.958 4.853 ( -3.125 0.414 6.019) 6.794 5.129 ( -10.669 2.189 8.404) 13.757 5.444 ( -6.029 -0.267 1.961) 6.345 5.857 ( -4.384 -1.677 5.576) 7.289 6.474 ( -13.420 -2.251 3.135) 13.964 7.359 ( 4.961 10.218 12.680) 17.023 7.841 ( 9.113 4.861 -11.115) 15.173 8.093 ( 7.133 0.249 10.547) 12.735 8.709 ( -11.402 5.389 5.757) 13.863 9.007 ( 0.761 9.432 6.165) 11.293 9.481 ( -5.271 -0.284 -2.650) 5.906 10.080 ( -6.615 13.176 10.784) 18.266 10.794 ( -11.898 -0.683 -1.344) 11.993 11.344 ( -12.359 -11.473 -4.512) 17.457 12.637 ( 2.047 17.494 3.735) 18.005 12.786 ( 1.038 13.265 -15.497) 20.425 13.336 ( 6.487 -4.743 1.778) 8.230 14.580 ( 13.937 -18.508 -3.937) 23.500 14.866 ( -4.101 -4.935 -1.694) 6.636 15.345 ( 2.769 0.011 -6.213) 6.802 17.266 ( -28.552 -7.660 9.921) 31.182 18.712 ( 15.193 -8.184 -9.405) 19.654 19.537 ( 16.498 8.176 -6.478) 19.519 19.939 ( 8.061 -0.577 -0.763) 8.117 21.110 ( 1.234 0.107 14.509) 14.561 21.294 ( -14.894 -7.693 -9.100) 19.074 24.185 ( 2.398 4.271 -4.053) 6.358 24.369 ( 4.028 1.033 -3.223) 5.261 ======================= Grid point 228 (120/260) ======================= q-point: (-0.10 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -0.046 14.065 15.161) 20.680 2.048 ( -1.642 22.297 13.687) 26.214 2.916 ( -3.828 0.460 9.901) 10.625 3.041 ( 0.782 0.373 8.117) 8.163 3.490 ( -5.035 -6.918 3.180) 9.128 3.780 ( -3.684 6.385 7.395) 10.442 3.870 ( 9.555 10.308 -4.685) 14.816 4.350 ( -0.916 5.514 -8.082) 9.827 4.861 ( -1.189 -1.947 2.950) 3.729 4.956 ( -5.266 1.735 9.490) 10.991 5.344 ( -4.119 -5.626 1.339) 7.100 5.757 ( -6.116 -3.646 9.052) 11.516 6.290 ( -5.576 5.230 -0.503) 7.662 7.481 ( 4.355 11.314 12.841) 17.660 7.986 ( 7.207 6.925 -12.903) 16.321 8.235 ( 1.731 2.987 9.696) 10.292 8.527 ( -3.702 1.059 10.201) 10.904 8.996 ( -3.974 7.772 5.186) 10.153 9.484 ( 6.415 3.373 -3.659) 8.119 10.058 ( 1.693 12.905 15.341) 20.118 10.524 ( -14.971 -4.777 -0.612) 15.727 11.155 ( -5.457 -14.301 -2.618) 15.529 12.646 ( -1.254 13.329 1.041) 13.428 12.781 ( 2.493 13.302 -16.494) 21.336 13.507 ( 9.474 -1.812 0.107) 9.647 14.761 ( -1.363 -13.496 -5.849) 14.772 14.816 ( 6.272 -9.242 -1.352) 11.251 15.370 ( 1.488 -1.142 -9.494) 9.678 16.774 ( -24.267 -13.213 14.936) 31.409 18.980 ( 11.430 -7.601 -19.652) 23.971 19.674 ( -5.182 2.925 -6.763) 9.009 19.993 ( 3.504 -0.697 -9.909) 10.533 20.979 ( 4.561 0.911 7.169) 8.546 21.326 ( -1.078 -0.406 15.251) 15.295 24.232 ( 3.481 4.309 -4.273) 6.996 24.426 ( 2.145 2.709 -2.594) 4.321 ======================= Grid point 229 (121/260) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 4.687 7.303 10.372) 13.523 2.466 ( -2.780 12.883 16.803) 21.355 2.885 ( 3.144 -2.503 8.444) 9.352 3.042 ( 4.979 -6.947 11.206) 14.093 3.256 ( -9.024 -1.790 2.972) 9.668 3.895 ( -0.164 3.559 3.220) 4.802 4.175 ( 5.154 6.418 6.539) 10.513 4.434 ( -1.424 4.398 -7.106) 8.477 4.799 ( -3.571 1.826 1.911) 4.443 4.946 ( -3.174 -3.047 3.648) 5.715 5.181 ( 3.898 -3.717 0.356) 5.398 5.635 ( -0.328 -2.769 10.749) 11.105 6.327 ( -0.726 2.368 -3.276) 4.107 7.829 ( 2.900 9.335 14.817) 17.751 8.096 ( -1.162 2.579 -5.489) 6.175 8.192 ( -2.110 -5.865 8.719) 10.718 8.779 ( 16.655 4.841 7.609) 18.940 9.107 ( -2.968 7.836 5.448) 9.994 9.706 ( 11.030 0.500 -2.215) 11.261 10.034 ( -18.642 -7.100 -0.024) 19.949 10.484 ( 7.854 14.033 12.519) 20.380 10.802 ( 2.963 -15.553 6.027) 16.941 12.815 ( -3.830 7.110 -2.351) 8.411 12.974 ( 2.142 3.751 -9.331) 10.282 13.698 ( 6.696 3.068 -4.080) 8.420 14.399 ( -1.067 -12.957 -12.078) 17.746 14.756 ( 1.549 -2.878 -0.120) 3.271 15.363 ( 0.226 0.460 -10.716) 10.728 16.230 ( -14.524 -3.710 13.465) 20.150 18.867 ( -8.390 -0.808 -33.501) 34.544 19.539 ( -2.083 -0.371 0.881) 2.292 20.093 ( 3.232 0.851 -10.562) 11.078 21.208 ( -7.763 1.900 11.500) 14.004 21.282 ( 15.355 -3.412 13.287) 20.590 24.354 ( 2.631 2.146 -2.387) 4.150 24.462 ( -1.264 -0.062 -1.222) 1.760 ======================= Grid point 230 (122/260) ======================= q-point: ( 0.10 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 5.747 7.744 8.243) 12.687 2.472 ( -0.270 9.957 17.127) 19.813 2.962 ( 3.154 -1.363 4.252) 5.467 3.097 ( -2.479 -1.892 2.721) 4.138 3.182 ( 0.956 -8.951 10.537) 13.859 3.893 ( -0.967 0.932 5.020) 5.197 4.278 ( 2.568 15.534 3.759) 16.187 4.433 ( 4.612 0.411 -1.902) 5.005 4.704 ( -6.122 1.089 -0.741) 6.262 4.848 ( -6.144 -7.788 1.428) 10.022 5.340 ( 9.839 -0.086 1.474) 9.950 5.707 ( 4.773 -3.140 8.424) 10.179 6.325 ( 1.231 2.427 -1.999) 3.377 7.846 ( -6.537 8.052 17.540) 20.377 8.008 ( -0.892 2.086 -5.306) 5.771 8.307 ( 7.253 -4.607 9.105) 12.520 9.037 ( 2.233 15.062 0.279) 15.229 9.094 ( 4.266 5.587 10.803) 12.889 9.604 ( -16.858 -6.485 -0.583) 18.071 9.999 ( 12.066 -4.113 -2.603) 13.011 10.775 ( 18.655 7.881 14.621) 24.978 10.990 ( 13.264 -12.058 6.919) 19.214 12.717 ( -5.097 8.378 -3.408) 10.382 13.009 ( 2.898 0.903 -7.402) 8.000 13.772 ( 1.741 3.481 -3.957) 5.550 14.282 ( -7.597 -10.845 -12.630) 18.299 14.799 ( 2.610 -4.310 -0.397) 5.054 15.330 ( -1.020 0.752 -10.499) 10.575 16.122 ( 1.291 -2.102 9.678) 9.987 18.588 ( -9.007 -0.672 -24.039) 25.680 19.518 ( -2.750 -0.530 -1.305) 3.090 20.043 ( -5.930 1.062 -9.795) 11.500 20.949 ( -16.136 1.823 8.369) 18.269 21.750 ( 24.477 -5.264 10.462) 27.135 24.347 ( -5.181 3.779 -1.907) 6.691 24.425 ( -0.034 -1.999 -1.707) 2.629 ======================= Grid point 231 (123/260) ======================= q-point: ( 0.20 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 1.862 10.568 8.076) 13.430 2.555 ( 5.241 6.169 12.982) 15.299 3.024 ( 2.338 -0.594 1.717) 2.961 3.096 ( 2.281 -7.351 0.194) 7.699 3.189 ( -2.585 -7.778 5.454) 9.845 3.863 ( -3.603 1.557 4.690) 6.116 4.319 ( 1.380 8.791 -6.762) 11.177 4.542 ( 3.691 10.611 2.694) 11.553 4.557 ( -7.817 -2.302 -4.257) 9.194 4.798 ( 2.941 -10.472 8.360) 13.719 5.535 ( 9.103 2.215 2.038) 9.587 5.827 ( 4.811 -3.587 6.251) 8.665 6.375 ( 4.340 2.830 0.680) 5.225 7.702 ( -10.482 5.368 15.804) 19.709 8.004 ( -0.327 2.733 -1.584) 3.176 8.426 ( -0.023 -3.468 7.931) 8.656 9.014 ( -1.153 16.864 1.726) 16.991 9.193 ( 2.163 8.447 7.490) 11.495 9.370 ( -4.062 -9.518 -0.399) 10.357 10.230 ( 11.384 -3.939 -1.735) 12.170 11.195 ( 15.242 0.438 9.363) 17.894 11.319 ( 19.859 -4.051 9.482) 22.376 12.618 ( -3.574 10.856 -2.055) 11.613 13.033 ( 0.453 -3.915 -4.684) 6.121 13.750 ( -3.124 6.556 -2.891) 7.817 14.057 ( -11.742 -11.427 -11.312) 19.910 14.853 ( 2.928 -3.832 -0.816) 4.891 15.283 ( -1.484 0.756 -8.087) 8.257 16.329 ( 18.121 -0.565 1.564) 18.197 18.468 ( 1.408 -2.407 -14.048) 14.322 19.391 ( -9.593 -0.261 -3.040) 10.066 19.841 ( -11.284 0.534 -6.988) 13.283 20.651 ( -16.161 3.213 8.308) 18.453 22.243 ( 23.247 -6.790 6.013) 24.954 24.158 ( -12.543 1.902 -4.847) 13.581 24.435 ( 0.718 -0.621 -0.873) 1.289 ======================= Grid point 232 (124/260) ======================= q-point: ( 0.30 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 1.494 10.957 7.330) 13.267 2.705 ( 6.670 0.528 9.323) 11.475 3.040 ( -3.205 0.096 0.256) 3.217 3.089 ( -2.056 -5.740 3.473) 7.017 3.216 ( 6.093 -9.279 -5.909) 12.575 3.779 ( -5.411 4.923 2.630) 7.774 4.211 ( -8.352 3.467 -18.920) 20.970 4.369 ( -8.647 -6.350 -10.048) 14.699 4.693 ( 10.069 9.649 10.711) 17.584 4.970 ( 9.285 -5.138 14.966) 18.346 5.695 ( 6.373 3.610 2.843) 7.856 5.894 ( 0.326 -3.057 5.580) 6.370 6.514 ( 9.448 3.534 2.503) 10.393 7.534 ( -9.782 4.694 15.376) 18.819 7.968 ( -3.307 2.812 1.320) 4.537 8.294 ( -12.723 -4.956 3.268) 14.040 9.019 ( 0.513 13.868 -4.384) 14.553 9.248 ( 2.470 10.312 9.957) 14.546 9.475 ( 12.325 -7.275 5.353) 15.280 10.438 ( 10.150 -3.855 -0.288) 10.861 11.329 ( -0.886 -2.761 -7.578) 8.114 11.752 ( 18.157 2.181 15.687) 24.094 12.594 ( 1.013 15.062 1.841) 15.208 13.003 ( -2.232 -11.349 0.473) 11.576 13.609 ( -11.682 6.607 -3.935) 13.986 13.829 ( -7.357 -10.007 -8.172) 14.868 14.905 ( 2.497 -2.267 -1.219) 3.586 15.240 ( -1.185 0.308 -5.481) 5.616 16.812 ( 30.539 0.592 -5.695) 31.071 18.563 ( 9.993 -3.434 -7.067) 12.712 19.144 ( -14.026 0.330 -4.187) 14.641 19.631 ( -7.625 -0.578 -1.882) 7.875 20.333 ( -18.854 4.069 9.150) 21.348 22.685 ( 20.657 -7.070 2.418) 21.967 23.844 ( -17.512 0.653 -7.380) 19.015 24.443 ( 0.245 -0.072 -1.597) 1.617 ======================= Grid point 233 (125/260) ======================= q-point: ( 0.40 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 1.025 6.370 4.736) 8.004 2.802 ( -2.200 -7.739 8.518) 11.717 2.965 ( 1.033 6.561 -2.562) 7.119 3.091 ( 0.324 -3.483 2.090) 4.074 3.306 ( 3.605 -6.474 -10.218) 12.622 3.669 ( -6.212 3.391 0.261) 7.082 3.986 ( -7.912 3.693 -20.450) 22.236 4.193 ( -5.896 -6.548 -11.880) 14.791 4.939 ( 11.369 4.620 11.869) 17.073 5.179 ( 7.520 -1.629 16.315) 18.039 5.791 ( 2.435 4.177 3.862) 6.188 5.874 ( -3.066 -2.042 6.208) 7.219 6.737 ( 11.799 4.316 2.851) 12.883 7.404 ( -6.747 5.488 15.096) 17.422 7.885 ( -5.436 2.362 3.485) 6.875 8.025 ( -13.892 -7.545 0.815) 15.829 9.009 ( 0.862 11.539 -11.153) 16.071 9.321 ( 1.421 9.553 15.239) 18.042 9.773 ( 13.473 -4.523 7.462) 16.052 10.641 ( 10.879 -2.343 1.017) 11.175 11.158 ( -12.307 -1.007 -15.528) 19.839 12.060 ( 9.053 2.771 12.234) 15.470 12.607 ( -1.553 18.597 2.905) 18.886 13.015 ( 3.940 -16.519 8.686) 19.075 13.321 ( -14.338 -0.841 -4.355) 15.009 13.702 ( -5.248 -3.434 -8.691) 10.718 14.941 ( 1.356 -1.430 -1.261) 2.340 15.217 ( 0.111 0.398 -3.408) 3.433 17.460 ( 35.962 1.908 -9.429) 37.226 18.745 ( 0.754 -2.272 -8.693) 9.016 18.899 ( -0.828 0.512 0.580) 1.134 19.554 ( -1.366 -1.367 1.273) 2.314 19.950 ( -21.255 3.156 13.292) 25.267 23.025 ( 9.775 -7.001 -6.049) 13.459 23.490 ( -12.273 -0.012 -4.023) 12.916 24.435 ( -0.551 0.223 -3.059) 3.116 ======================= Grid point 234 (126/260) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -2.837 -0.876 2.009) 3.584 2.705 ( -5.773 -1.585 5.414) 8.072 3.018 ( 0.251 6.145 -6.607) 9.026 3.104 ( 1.025 -2.778 -0.494) 3.002 3.297 ( -1.074 1.815 -7.026) 7.335 3.539 ( -5.219 -7.617 -3.325) 9.814 3.874 ( 0.878 3.279 -13.829) 14.239 4.106 ( -0.301 -2.986 -11.250) 11.644 5.168 ( 8.578 2.158 10.995) 14.111 5.306 ( 0.679 0.377 14.923) 14.944 5.807 ( -1.137 2.380 6.119) 6.663 5.835 ( -2.142 0.484 5.539) 5.959 6.945 ( 6.668 3.005 4.018) 8.345 7.335 ( -3.827 9.341 14.389) 17.577 7.782 ( -6.443 -2.782 6.510) 9.573 7.797 ( -6.906 -6.588 -3.617) 10.207 9.008 ( 1.757 10.477 -12.241) 16.208 9.360 ( -1.515 8.226 17.162) 19.092 9.939 ( 0.335 -3.734 5.873) 6.967 10.832 ( -9.249 0.183 -5.843) 10.942 10.884 ( 6.368 -0.079 -6.514) 9.110 12.099 ( -7.855 -0.767 3.183) 8.510 12.624 ( 4.612 18.218 8.185) 20.498 13.037 ( -9.229 1.084 4.796) 10.457 13.223 ( 9.972 -16.633 1.418) 19.445 13.561 ( -6.319 -3.186 -10.840) 12.946 14.948 ( -0.461 -2.074 -1.059) 2.374 15.232 ( 2.089 1.369 -2.601) 3.606 18.139 ( 34.109 3.052 -10.002) 35.676 18.530 ( -10.604 -0.314 -9.861) 14.483 19.141 ( 15.022 1.101 3.813) 15.537 19.297 ( -26.446 3.096 -0.301) 26.628 19.851 ( 9.209 -4.344 21.309) 23.617 22.799 ( -22.045 -4.975 -19.138) 29.614 23.594 ( 15.016 -1.810 4.671) 15.829 24.405 ( -1.525 0.336 -4.833) 5.079 ======================= Grid point 235 (127/260) ======================= q-point: (-0.40 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -7.272 -0.657 1.536) 7.462 2.637 ( -2.982 3.402 2.760) 5.300 2.904 ( -7.191 1.577 -8.295) 11.091 3.075 ( -4.017 -2.208 -6.364) 7.843 3.319 ( 4.492 5.966 2.140) 7.768 3.519 ( 3.444 -10.859 0.654) 11.411 3.931 ( 7.044 -0.443 -10.766) 12.873 4.101 ( 1.222 1.563 -9.680) 9.881 5.251 ( -7.982 2.375 10.903) 13.720 5.308 ( 2.105 0.679 9.760) 10.007 5.765 ( -5.207 3.078 3.569) 7.023 5.840 ( 1.297 -0.515 8.467) 8.581 6.922 ( -10.450 -1.494 5.934) 12.110 7.353 ( 2.733 12.559 13.688) 18.777 7.725 ( -1.060 0.986 -2.237) 2.665 7.738 ( 2.557 -10.786 2.321) 11.325 9.016 ( 1.411 9.144 -10.412) 13.929 9.335 ( -5.109 7.330 17.153) 19.341 9.817 ( -11.714 -3.600 0.871) 12.286 10.586 ( -9.754 1.872 -2.223) 10.178 11.037 ( 3.820 1.082 -1.162) 4.137 11.832 ( -17.622 -3.736 0.196) 18.014 12.799 ( 8.934 17.586 9.336) 21.823 12.919 ( -1.834 1.675 -0.306) 2.502 13.330 ( -4.762 0.852 -8.889) 10.120 13.556 ( 12.954 -18.928 -1.389) 22.979 14.918 ( -2.287 -2.591 -0.794) 3.546 15.280 ( 3.143 1.752 -3.232) 4.836 18.340 ( -6.382 3.162 -8.801) 11.322 18.547 ( -16.169 -4.515 2.906) 17.038 18.888 ( 13.004 6.617 -11.130) 18.351 19.455 ( 14.872 1.803 4.845) 15.745 20.215 ( 20.471 -5.095 24.501) 32.332 22.268 ( -26.181 -4.686 -21.075) 33.935 23.904 ( 14.478 -0.828 3.314) 14.876 24.356 ( -2.035 0.226 -6.577) 6.889 ======================= Grid point 236 (128/260) ======================= q-point: (-0.30 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -7.375 3.797 2.395) 8.634 2.568 ( -4.364 13.153 2.254) 14.040 2.790 ( -2.427 -3.571 -2.785) 5.138 2.968 ( -5.197 -10.864 1.187) 12.101 3.456 ( 8.102 7.775 2.139) 11.431 3.626 ( 5.752 -7.391 2.593) 9.718 4.051 ( 3.039 2.710 -8.905) 9.792 4.112 ( 5.908 -1.171 -7.542) 9.652 5.072 ( -11.104 2.852 7.572) 13.739 5.300 ( -5.153 0.532 7.869) 9.421 5.632 ( -8.923 2.048 2.673) 9.537 5.865 ( -1.758 -1.303 7.680) 7.986 6.668 ( -13.772 -2.113 4.502) 14.643 7.462 ( 4.144 10.581 16.123) 19.725 7.757 ( 5.617 1.033 -6.128) 8.377 7.847 ( 6.381 -8.321 3.542) 11.068 8.996 ( -2.600 7.078 -6.025) 9.652 9.246 ( -6.786 7.061 14.098) 17.165 9.578 ( -10.539 -4.005 -0.661) 11.294 10.428 ( -7.026 5.542 5.024) 10.262 11.002 ( -6.786 0.840 -1.797) 7.070 11.458 ( -19.562 -6.489 0.582) 20.619 12.868 ( 0.066 7.235 2.892) 7.792 13.066 ( 11.989 13.682 0.784) 18.208 13.184 ( -5.615 -0.910 -10.464) 11.910 13.868 ( 17.014 -17.948 -2.886) 24.899 14.860 ( -3.241 -2.402 -0.499) 4.065 15.330 ( 2.764 1.360 -4.765) 5.674 17.853 ( -36.508 1.347 7.270) 37.250 18.391 ( 6.022 -4.137 -9.776) 12.205 19.318 ( 23.175 5.114 -12.004) 26.596 19.731 ( 11.566 0.403 4.253) 12.330 20.708 ( 22.040 -2.873 25.965) 34.179 21.694 ( -26.788 -3.738 -20.010) 33.645 24.158 ( 10.310 1.311 1.726) 10.535 24.307 ( -0.688 -0.726 -7.401) 7.468 ======================= Grid point 237 (129/260) ======================= q-point: (-0.20 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -4.666 6.463 5.314) 9.580 2.511 ( -2.347 19.789 7.612) 21.332 2.777 ( 0.185 -4.230 4.566) 6.227 2.900 ( -2.051 -16.086 6.572) 17.497 3.567 ( -0.502 4.363 1.014) 4.507 3.745 ( 6.848 -2.095 1.887) 7.406 4.036 ( 0.050 8.477 -0.544) 8.494 4.282 ( 10.281 -4.409 -8.284) 13.920 4.895 ( -7.087 2.166 3.758) 8.309 5.158 ( -10.213 0.464 7.312) 12.569 5.439 ( -10.678 0.090 0.920) 10.718 5.791 ( -7.048 -2.820 8.761) 11.592 6.465 ( -7.271 0.268 1.295) 7.391 7.585 ( 4.605 9.941 16.388) 19.713 7.910 ( 10.237 1.599 -7.886) 13.021 7.981 ( 7.006 -7.986 6.070) 12.235 8.842 ( -12.406 4.818 2.677) 13.575 9.178 ( -2.489 6.314 6.905) 9.682 9.448 ( -1.883 -2.563 -0.950) 3.320 10.334 ( -3.840 9.012 8.799) 13.168 10.784 ( -14.239 0.088 -1.536) 14.322 11.101 ( -16.331 -9.457 2.197) 18.999 12.876 ( 0.192 7.780 -0.168) 7.784 13.057 ( -3.667 4.042 -10.672) 11.987 13.319 ( 12.059 6.406 -0.024) 13.655 14.170 ( 14.103 -16.638 -6.906) 22.878 14.796 ( -3.039 -1.766 -0.204) 3.521 15.363 ( 1.832 0.802 -6.710) 7.002 17.170 ( -33.762 -2.083 10.167) 35.321 18.589 ( 15.629 -3.254 -12.809) 20.468 19.686 ( 16.356 5.441 -10.422) 20.143 19.893 ( 3.294 -2.973 -2.217) 4.960 21.123 ( 7.890 0.918 18.192) 19.850 21.185 ( -13.851 -3.011 -5.376) 15.160 24.263 ( 1.880 2.885 -6.025) 6.940 24.359 ( 6.071 -1.374 -0.356) 6.234 ======================= Grid point 238 (130/260) ======================= q-point: (-0.10 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 0.408 7.123 9.221) 11.659 2.490 ( -2.806 18.858 13.640) 23.443 2.810 ( 1.790 -4.633 9.874) 11.053 2.932 ( 3.126 -12.556 9.029) 15.778 3.447 ( -9.644 1.313 0.845) 9.769 3.865 ( 3.399 1.904 1.936) 4.350 4.077 ( 3.359 7.211 4.403) 9.092 4.428 ( 5.166 1.374 -7.787) 9.445 4.832 ( -0.769 -0.411 1.651) 1.867 4.991 ( -6.396 1.111 7.499) 9.918 5.243 ( -8.275 -3.081 -0.666) 8.855 5.675 ( -5.980 -3.009 10.972) 12.853 6.369 ( -3.003 2.025 -2.008) 4.141 7.714 ( 4.728 9.910 15.075) 18.650 8.033 ( 4.176 -3.563 1.641) 5.729 8.201 ( 10.503 -1.389 -3.394) 11.125 8.607 ( -7.874 3.291 9.563) 12.817 9.149 ( -2.336 5.927 4.810) 7.983 9.508 ( 7.820 -0.594 -1.813) 8.049 10.312 ( -3.096 7.050 9.678) 12.367 10.473 ( -14.211 3.142 1.030) 14.591 10.854 ( -8.791 -13.021 4.015) 16.215 12.868 ( -1.109 7.382 -1.410) 7.597 12.984 ( -1.115 4.201 -10.097) 10.993 13.537 ( 10.164 4.445 -2.526) 11.378 14.365 ( 7.258 -15.593 -10.197) 19.995 14.751 ( -1.173 -1.308 0.043) 1.757 15.373 ( 1.051 0.432 -8.848) 8.920 16.604 ( -25.948 -3.832 12.633) 29.113 18.871 ( 13.904 -2.774 -22.395) 26.506 19.720 ( -12.056 1.276 -7.969) 14.509 19.979 ( 10.041 -0.502 -11.079) 14.961 20.996 ( 3.172 0.506 8.937) 9.497 21.319 ( -0.162 -0.201 16.476) 16.478 24.300 ( 3.283 1.939 -4.978) 6.270 24.449 ( 2.759 0.105 -0.171) 2.766 ======================= Grid point 279 (131/260) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -2.687 0.000 22.234) 22.396 1.616 ( 5.331 0.000 23.006) 23.616 2.816 ( 12.274 0.000 9.505) 15.524 3.176 ( 3.465 0.000 -12.386) 12.862 3.435 ( -4.286 0.000 26.281) 26.628 3.636 ( 7.767 0.000 2.085) 8.042 4.020 ( 2.214 0.000 -5.763) 6.174 4.080 ( 0.966 0.000 12.673) 12.709 4.944 ( -11.507 0.000 8.371) 14.229 4.982 ( -2.414 0.000 -1.083) 2.646 5.631 ( 3.713 0.000 4.761) 6.038 5.747 ( 5.250 0.000 5.466) 7.579 6.078 ( -12.570 0.000 10.617) 16.454 7.202 ( 3.535 0.000 -15.866) 16.255 7.211 ( -2.495 0.000 14.567) 14.779 8.067 ( -8.418 0.000 12.099) 14.739 8.236 ( -7.076 0.000 -6.482) 9.596 9.069 ( 11.194 0.000 -11.808) 16.270 9.283 ( 8.228 0.000 25.324) 26.627 10.517 ( 17.494 0.000 -0.559) 17.503 10.589 ( 0.334 0.000 -1.881) 1.910 10.781 ( -10.403 0.000 -12.130) 15.980 11.803 ( 5.457 0.000 -7.209) 9.042 12.281 ( 6.766 0.000 -12.898) 14.565 14.073 ( 7.475 0.000 6.207) 9.716 14.898 ( -3.331 0.000 -7.232) 7.963 15.093 ( -3.232 0.000 4.790) 5.779 15.456 ( 5.932 0.000 -13.327) 14.587 18.178 ( -65.511 0.000 2.251) 65.550 18.445 ( 20.143 0.000 -1.479) 20.197 19.733 ( 0.577 0.000 1.237) 1.365 19.836 ( -1.109 0.000 -0.823) 1.381 21.286 ( -23.284 0.000 10.500) 25.542 21.983 ( 54.940 0.000 -6.445) 55.317 23.676 ( 5.550 0.000 3.042) 6.329 24.021 ( -3.442 0.000 -4.498) 5.664 ======================= Grid point 280 (132/260) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 9.721 0.000 20.810) 22.969 1.850 ( 12.939 0.000 15.612) 20.277 3.093 ( 12.492 0.000 -2.823) 12.807 3.210 ( 2.721 0.000 -14.386) 14.641 3.488 ( 3.792 0.000 31.323) 31.552 3.675 ( -2.261 0.000 -2.765) 3.572 4.030 ( -0.224 0.000 1.230) 1.250 4.245 ( 10.933 0.000 14.969) 18.537 4.720 ( -13.091 0.000 10.321) 16.670 4.910 ( -3.984 0.000 -4.640) 6.116 5.696 ( 1.755 0.000 3.916) 4.291 5.834 ( 0.863 0.000 4.108) 4.197 6.052 ( 6.499 0.000 6.150) 8.948 7.190 ( -3.179 0.000 17.601) 17.886 7.261 ( 5.819 0.000 -13.490) 14.692 7.948 ( -5.723 0.000 9.394) 11.000 8.048 ( -9.248 0.000 -6.348) 11.217 9.336 ( 16.588 0.000 -9.385) 19.059 9.461 ( 2.991 0.000 31.097) 31.241 10.516 ( -8.780 0.000 -8.286) 12.073 10.649 ( 2.747 0.000 -11.199) 11.531 10.920 ( 23.469 0.000 -10.534) 25.724 11.824 ( -1.721 0.000 -8.653) 8.822 12.447 ( 12.712 0.000 -11.941) 17.441 14.236 ( 6.577 0.000 3.953) 7.674 14.796 ( -4.975 0.000 -12.495) 13.449 14.994 ( -8.325 0.000 3.050) 8.866 15.531 ( 4.206 0.000 -7.503) 8.601 17.084 ( -43.322 0.000 21.340) 48.293 18.869 ( 22.270 0.000 4.567) 22.733 19.669 ( -7.347 0.000 1.464) 7.492 19.779 ( -4.758 0.000 -0.992) 4.860 20.754 ( -31.529 0.000 4.286) 31.819 22.906 ( 39.873 0.000 -18.702) 44.041 23.834 ( 8.957 0.000 3.465) 9.604 23.917 ( -5.832 0.000 -5.926) 8.315 ======================= Grid point 281 (133/260) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 16.767 0.000 18.110) 24.680 2.156 ( 14.642 0.000 9.337) 17.366 3.204 ( 0.000 0.000 -16.227) 16.227 3.224 ( 1.181 0.000 -1.446) 1.867 3.598 ( -4.117 0.000 -4.068) 5.788 3.711 ( 11.938 0.000 6.853) 13.765 4.064 ( 3.145 0.000 16.924) 17.213 4.374 ( -9.221 0.000 5.635) 10.807 4.617 ( 7.341 0.000 19.301) 20.650 4.829 ( -2.742 0.000 -4.826) 5.550 5.714 ( -0.752 0.000 3.258) 3.344 5.847 ( 0.087 0.000 3.324) 3.326 6.207 ( 6.367 0.000 1.173) 6.474 7.179 ( -2.080 0.000 20.367) 20.473 7.354 ( 5.786 0.000 -9.884) 11.454 7.867 ( -7.644 0.000 -4.907) 9.083 7.894 ( -1.966 0.000 10.074) 10.264 9.551 ( -1.064 0.000 34.560) 34.576 9.626 ( 13.341 0.000 -4.368) 14.038 10.366 ( -1.374 0.000 -20.289) 20.336 10.718 ( 5.662 0.000 -5.437) 7.850 11.319 ( 16.950 0.000 -13.965) 21.962 11.716 ( -5.141 0.000 -7.022) 8.703 12.712 ( 16.846 0.000 -14.036) 21.927 14.253 ( -9.375 0.000 12.265) 15.438 14.632 ( -8.607 0.000 -15.641) 17.853 14.831 ( -5.276 0.000 2.156) 5.700 15.589 ( 2.865 0.000 -3.293) 4.365 16.656 ( -6.088 0.000 16.885) 17.949 19.302 ( 14.115 0.000 3.353) 14.508 19.487 ( -5.602 0.000 8.653) 10.308 19.648 ( -7.981 0.000 -1.326) 8.090 20.112 ( -33.112 0.000 -0.084) 33.113 23.449 ( 19.811 0.000 -23.654) 30.854 23.782 ( -5.021 0.000 -4.672) 6.859 24.019 ( 8.737 0.000 2.212) 9.013 ======================= Grid point 282 (134/260) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 19.229 0.000 15.692) 24.819 2.459 ( 14.465 0.000 5.192) 15.369 3.136 ( -2.697 0.000 -17.390) 17.597 3.147 ( -8.430 0.000 1.473) 8.558 3.500 ( -5.212 0.000 -3.548) 6.305 3.923 ( 10.498 0.000 -12.605) 16.404 4.118 ( -15.063 0.000 7.774) 16.951 4.218 ( 5.124 0.000 18.210) 18.917 4.802 ( 1.675 0.000 0.173) 1.684 4.877 ( 11.790 0.000 15.190) 19.229 5.685 ( -2.678 0.000 2.501) 3.664 5.839 ( -2.060 0.000 1.216) 2.393 6.307 ( 4.242 0.000 3.551) 5.532 7.213 ( 0.904 0.000 21.100) 21.120 7.418 ( 2.088 0.000 -6.091) 6.439 7.732 ( -5.043 0.000 -2.244) 5.520 7.911 ( 0.744 0.000 13.163) 13.184 9.591 ( -2.978 0.000 36.563) 36.684 9.811 ( 6.601 0.000 -3.226) 7.347 10.391 ( 8.416 0.000 -25.391) 26.749 10.844 ( 8.022 0.000 -1.864) 8.235 11.309 ( -12.200 0.000 -12.781) 17.669 11.785 ( 10.570 0.000 -5.205) 11.783 13.027 ( 18.399 0.000 -18.826) 26.323 13.986 ( -17.416 0.000 19.887) 26.435 14.390 ( -12.019 0.000 -14.747) 19.025 14.819 ( 1.380 0.000 3.131) 3.422 15.622 ( 0.943 0.000 -1.768) 2.004 16.804 ( 15.619 0.000 5.086) 16.426 19.091 ( -18.303 0.000 -2.691) 18.500 19.472 ( -9.128 0.000 -1.757) 9.295 19.495 ( -28.443 0.000 -2.277) 28.534 19.846 ( 22.012 0.000 19.004) 29.081 23.485 ( -6.640 0.000 -18.993) 20.120 23.839 ( 9.191 0.000 -9.063) 12.908 24.170 ( 5.917 0.000 0.287) 5.924 ======================= Grid point 283 (135/260) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 18.570 0.000 12.967) 22.649 2.739 ( 11.080 0.000 2.815) 11.432 2.938 ( -10.500 0.000 0.540) 10.513 3.032 ( -3.473 0.000 -16.700) 17.057 3.355 ( -10.122 0.000 2.164) 10.350 3.867 ( -10.873 0.000 5.012) 11.973 4.048 ( 1.963 0.000 -6.819) 7.096 4.262 ( -0.356 0.000 -4.147) 4.162 4.920 ( 8.098 0.000 8.946) 12.067 5.113 ( 8.514 0.000 11.981) 14.698 5.629 ( -3.227 0.000 1.716) 3.655 5.758 ( -6.127 0.000 1.275) 6.258 6.425 ( 6.825 0.000 7.858) 10.408 7.312 ( 4.241 0.000 19.234) 19.696 7.398 ( -2.589 0.000 -4.950) 5.586 7.666 ( -1.557 0.000 1.619) 2.246 7.974 ( 1.921 0.000 16.822) 16.932 9.608 ( -3.795 0.000 36.807) 37.002 9.905 ( 4.932 0.000 -8.656) 9.962 10.517 ( 8.903 0.000 -23.456) 25.089 10.969 ( -18.282 0.000 -10.019) 20.847 11.016 ( 8.863 0.000 2.271) 9.149 11.914 ( 2.294 0.000 -3.027) 3.798 13.296 ( 11.842 0.000 -27.490) 29.932 13.751 ( -10.222 0.000 18.121) 20.805 14.143 ( -7.752 0.000 -7.905) 11.072 14.859 ( 1.471 0.000 6.582) 6.745 15.612 ( -1.567 0.000 -2.289) 2.774 17.211 ( 23.935 0.000 -0.725) 23.945 18.707 ( -19.466 0.000 -6.184) 20.425 19.022 ( -18.094 0.000 -0.584) 18.103 19.300 ( -7.405 0.000 -2.014) 7.674 20.317 ( 20.696 0.000 22.577) 30.627 23.266 ( -10.496 0.000 -19.839) 22.444 23.968 ( 5.778 0.000 -8.326) 10.135 24.242 ( 1.445 0.000 -1.661) 2.202 ======================= Grid point 284 (136/260) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -17.104 0.000 1.935) 17.213 2.938 ( -2.327 0.000 -12.179) 12.400 2.996 ( 9.003 0.000 1.484) 9.124 3.068 ( 14.165 0.000 -0.936) 14.196 3.111 ( -12.871 0.000 16.438) 20.877 3.748 ( -1.251 0.000 0.502) 1.348 3.892 ( -14.447 0.000 -3.554) 14.878 4.274 ( 1.016 0.000 -9.111) 9.167 5.097 ( 6.835 0.000 8.940) 11.253 5.252 ( 2.899 0.000 10.316) 10.716 5.578 ( -2.147 0.000 1.046) 2.388 5.638 ( -5.686 0.000 3.729) 6.799 6.604 ( 8.879 0.000 10.173) 13.503 7.318 ( -3.537 0.000 -6.309) 7.233 7.453 ( 5.487 0.000 15.543) 16.483 7.673 ( 1.527 0.000 3.889) 4.178 8.056 ( 1.911 0.000 19.109) 19.205 9.602 ( -5.523 0.000 32.855) 33.316 9.956 ( 2.141 0.000 -13.412) 13.582 10.580 ( -18.703 0.000 -4.233) 19.176 10.614 ( 5.973 0.000 -19.440) 20.337 11.173 ( 5.446 0.000 5.435) 7.694 11.860 ( -6.572 0.000 -1.242) 6.689 13.258 ( -8.200 0.000 -31.144) 32.206 13.663 ( -3.008 0.000 14.019) 14.338 14.162 ( 10.702 0.000 -4.361) 11.556 14.913 ( 2.223 0.000 9.074) 9.342 15.554 ( -3.468 0.000 -3.734) 5.096 17.700 ( 25.204 0.000 -0.572) 25.211 18.308 ( -18.013 0.000 -12.311) 21.818 18.817 ( -3.080 0.000 3.603) 4.740 19.196 ( -2.060 0.000 -1.728) 2.688 20.754 ( 17.962 0.000 25.198) 30.945 22.978 ( -13.841 0.000 -25.389) 28.917 24.039 ( 3.217 0.000 -4.831) 5.804 24.216 ( -3.499 0.000 -3.196) 4.739 ======================= Grid point 285 (137/260) ======================= q-point: (-0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -19.116 0.000 3.031) 19.354 2.699 ( -21.399 0.000 11.434) 24.262 2.930 ( 1.533 0.000 -7.173) 7.335 3.190 ( 2.687 0.000 1.952) 3.321 3.336 ( 12.672 0.000 -0.983) 12.710 3.541 ( -19.257 0.000 -2.522) 19.421 3.830 ( 8.082 0.000 3.886) 8.968 4.196 ( -7.440 0.000 -3.939) 8.419 5.224 ( 4.304 0.000 7.347) 8.515 5.287 ( -1.060 0.000 10.876) 10.928 5.543 ( -2.044 0.000 0.520) 2.109 5.568 ( -2.701 0.000 5.123) 5.792 6.803 ( 8.425 0.000 10.588) 13.531 7.247 ( -1.660 0.000 -9.204) 9.352 7.571 ( 2.471 0.000 10.390) 10.680 7.746 ( 5.201 0.000 3.135) 6.073 8.124 ( 0.312 0.000 19.106) 19.109 9.503 ( -11.742 0.000 20.145) 23.317 9.897 ( -5.357 0.000 -15.470) 16.372 10.267 ( -12.503 0.000 11.256) 16.823 10.667 ( 3.405 0.000 -14.637) 15.027 11.240 ( -0.045 0.000 6.703) 6.703 11.693 ( -8.847 0.000 -1.750) 9.018 12.950 ( -14.131 0.000 -26.657) 30.171 13.676 ( 0.828 0.000 11.738) 11.767 14.433 ( 16.121 0.000 -7.630) 17.835 14.987 ( 2.880 0.000 10.388) 10.780 15.467 ( -3.988 0.000 -5.879) 7.104 17.982 ( -11.122 0.000 -15.137) 18.784 18.181 ( 23.319 0.000 3.574) 23.591 18.892 ( 8.719 0.000 4.552) 9.836 19.233 ( 6.347 0.000 -0.865) 6.406 21.133 ( 14.372 0.000 26.635) 30.265 22.588 ( -19.674 0.000 -32.555) 38.038 24.079 ( 1.757 0.000 -1.785) 2.505 24.096 ( -7.587 0.000 -3.991) 8.573 ======================= Grid point 286 (138/260) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -17.392 0.000 8.023) 19.153 2.282 ( -23.516 0.000 15.357) 28.086 2.999 ( 6.224 0.000 -1.534) 6.410 3.137 ( -20.240 0.000 4.321) 20.696 3.190 ( -0.903 0.000 -5.541) 5.614 3.565 ( 9.093 0.000 -0.299) 9.098 4.001 ( -10.193 0.000 -0.721) 10.218 4.009 ( 7.278 0.000 6.296) 9.623 5.283 ( -0.826 0.000 5.602) 5.663 5.285 ( -1.774 0.000 12.202) 12.330 5.494 ( -2.775 0.000 0.720) 2.867 5.549 ( -0.197 0.000 6.074) 6.077 6.965 ( 5.073 0.000 9.293) 10.588 7.210 ( 0.336 0.000 -12.744) 12.749 7.540 ( -8.779 0.000 1.274) 8.871 7.893 ( 9.182 0.000 0.102) 9.183 8.160 ( -0.649 0.000 20.737) 20.747 9.254 ( -15.225 0.000 11.609) 19.146 9.672 ( -13.649 0.000 -14.086) 19.614 10.149 ( -4.691 0.000 23.963) 24.417 10.677 ( 0.469 0.000 -10.585) 10.596 11.214 ( -3.571 0.000 5.348) 6.431 11.554 ( -3.757 0.000 -2.785) 4.677 12.627 ( -12.194 0.000 -23.574) 26.541 13.738 ( 2.624 0.000 11.310) 11.610 14.718 ( 13.928 0.000 -7.179) 15.669 15.063 ( 2.172 0.000 10.513) 10.735 15.377 ( -3.054 0.000 -10.027) 10.482 17.825 ( -1.020 0.000 -14.729) 14.764 18.655 ( 24.386 0.000 8.666) 25.881 19.138 ( 14.189 0.000 3.594) 14.637 19.434 ( 13.486 0.000 0.994) 13.523 21.433 ( 9.623 0.000 26.457) 28.153 22.032 ( -29.152 0.000 -38.316) 48.145 23.914 ( -9.536 0.000 -3.824) 10.274 24.100 ( 0.601 0.000 -0.417) 0.732 ======================= Grid point 287 (139/260) ======================= q-point: (-0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -10.634 0.000 17.742) 20.685 1.869 ( -21.768 0.000 17.999) 28.246 2.798 ( -14.694 0.000 9.968) 17.756 3.137 ( 3.179 0.000 -2.652) 4.140 3.186 ( 6.865 0.000 -2.547) 7.322 3.631 ( -5.590 0.000 13.607) 14.711 3.892 ( 2.459 0.000 -9.297) 9.617 4.109 ( 1.136 0.000 6.862) 6.956 5.201 ( -7.870 0.000 4.979) 9.312 5.250 ( -5.210 0.000 10.365) 11.601 5.472 ( 0.976 0.000 3.535) 3.667 5.592 ( 2.474 0.000 6.552) 7.004 6.958 ( -13.412 0.000 0.145) 13.413 7.195 ( 1.306 0.000 -15.591) 15.645 7.272 ( -11.243 0.000 4.945) 12.282 8.095 ( 11.267 0.000 -3.621) 11.835 8.208 ( -0.465 0.000 22.782) 22.786 9.045 ( -7.260 0.000 13.824) 15.614 9.332 ( -16.501 0.000 -11.758) 20.262 10.158 ( 0.047 0.000 21.902) 21.902 10.643 ( -1.443 0.000 -7.546) 7.683 11.133 ( -5.551 0.000 1.700) 5.806 11.552 ( 4.108 0.000 -3.046) 5.114 12.379 ( -7.490 0.000 -20.750) 22.061 13.826 ( 3.594 0.000 11.170) 11.734 14.920 ( 6.794 0.000 -2.148) 7.125 15.112 ( 0.377 0.000 9.403) 9.411 15.320 ( 1.276 0.000 -17.314) 17.361 17.873 ( 8.733 0.000 -11.744) 14.635 19.168 ( 22.907 0.000 4.944) 23.434 19.424 ( 13.317 0.000 2.288) 13.513 19.762 ( 19.437 0.000 6.148) 20.386 21.268 ( -37.612 0.000 -34.993) 51.373 21.613 ( 2.009 0.000 23.789) 23.873 23.729 ( -7.816 0.000 -2.409) 8.179 24.100 ( -0.458 0.000 -0.795) 0.918 ======================= Grid point 288 (140/260) ======================= q-point: (-0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -15.028 0.000 20.750) 25.620 1.543 ( -3.108 0.000 25.009) 25.201 2.660 ( -0.890 0.000 13.462) 13.491 3.146 ( 1.982 0.000 -10.153) 10.345 3.410 ( 12.282 0.000 5.241) 13.354 3.510 ( -8.217 0.000 19.759) 21.400 3.966 ( 5.019 0.000 -9.434) 10.686 4.099 ( -3.120 0.000 8.226) 8.798 5.054 ( -6.594 0.000 4.468) 7.965 5.128 ( -9.006 0.000 8.226) 12.197 5.539 ( 4.007 0.000 5.393) 6.718 5.659 ( 2.767 0.000 6.373) 6.948 6.472 ( -27.326 0.000 2.796) 27.469 7.189 ( 1.881 0.000 -16.720) 16.825 7.217 ( -1.426 0.000 12.348) 12.430 8.191 ( -6.539 0.000 17.994) 19.146 8.273 ( 5.878 0.000 -5.895) 8.325 9.046 ( -7.230 0.000 -11.461) 13.551 9.072 ( 5.785 0.000 18.706) 19.580 10.262 ( 7.108 0.000 12.643) 14.504 10.602 ( -0.916 0.000 -5.085) 5.166 10.993 ( -8.634 0.000 -4.020) 9.524 11.673 ( 8.043 0.000 -4.467) 9.200 12.253 ( -0.634 0.000 -16.693) 16.705 13.933 ( 4.994 0.000 9.725) 10.932 14.960 ( -1.413 0.000 -1.689) 2.202 15.121 ( -1.351 0.000 7.343) 7.466 15.364 ( 6.652 0.000 -18.815) 19.956 18.098 ( 15.825 0.000 -7.160) 17.370 19.266 ( -25.917 0.000 -12.701) 28.862 19.643 ( 8.059 0.000 1.486) 8.195 19.914 ( -10.729 0.000 -4.202) 11.523 20.993 ( 33.501 0.000 1.244) 33.524 21.587 ( -10.202 0.000 17.895) 20.599 23.628 ( -1.509 0.000 0.445) 1.573 24.077 ( -1.622 0.000 -2.414) 2.908 ======================= Grid point 289 (141/260) ======================= q-point: ( 0.00 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -0.532 15.734 18.941) 24.629 1.743 ( 3.131 11.655 22.171) 25.243 2.819 ( 8.655 1.033 8.341) 12.065 3.258 ( 4.552 6.268 -9.244) 12.061 3.487 ( -4.183 5.569 21.607) 22.702 3.593 ( 5.853 -3.180 2.769) 7.214 4.020 ( 0.451 0.756 -3.947) 4.044 4.092 ( 4.336 -0.308 13.017) 13.723 4.946 ( -4.430 -2.907 -0.531) 5.325 4.976 ( -8.344 2.441 6.735) 10.997 5.600 ( 2.095 -2.369 4.821) 5.766 5.800 ( 4.575 3.782 2.920) 6.615 6.085 ( -10.056 1.068 11.020) 14.957 7.238 ( 0.607 6.426 -4.042) 7.616 7.377 ( 1.497 12.103 2.948) 12.547 8.079 ( -6.182 3.161 8.535) 11.002 8.398 ( -9.587 12.866 -1.920) 16.160 8.991 ( 8.970 -5.340 -0.898) 10.477 9.377 ( 10.266 6.929 13.158) 18.071 10.356 ( 11.272 -5.957 2.007) 12.906 10.581 ( -4.901 -4.600 0.080) 6.722 11.060 ( 0.863 18.254 -15.758) 24.130 11.806 ( 5.243 2.389 -7.353) 9.341 12.320 ( 5.639 3.620 -11.543) 13.347 14.013 ( 6.658 -5.669 7.051) 11.233 14.851 ( -4.751 -4.384 -4.327) 7.779 15.103 ( -2.517 0.975 0.139) 2.703 15.385 ( 6.031 -6.994 -12.833) 15.811 17.772 ( -34.638 -28.657 13.339) 46.893 18.543 ( -5.682 1.664 -10.743) 12.266 19.692 ( -0.332 -3.260 1.442) 3.580 19.859 ( 0.801 1.681 -2.341) 2.991 21.297 ( -21.587 0.982 10.061) 23.837 21.854 ( 46.445 -9.832 -2.347) 47.532 23.870 ( 6.755 14.584 -1.537) 16.146 24.072 ( -3.486 4.959 -3.810) 7.160 ======================= Grid point 290 (142/260) ======================= q-point: ( 0.10 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 5.223 12.342 18.814) 23.099 1.961 ( 12.700 10.038 15.628) 22.501 3.022 ( 9.117 -3.200 -2.922) 10.094 3.336 ( 5.414 7.563 -11.174) 14.539 3.499 ( 0.657 2.092 22.754) 22.860 3.631 ( -1.315 -3.841 -1.123) 4.212 4.006 ( -0.342 0.343 8.778) 8.791 4.311 ( 12.808 2.393 13.326) 18.637 4.730 ( -14.063 1.365 3.821) 14.637 4.907 ( -3.175 -0.013 -1.760) 3.630 5.635 ( 0.476 -3.907 4.763) 6.178 5.899 ( 3.454 3.682 0.356) 5.061 6.061 ( 4.293 1.403 8.158) 9.325 7.248 ( 0.221 6.767 4.328) 8.036 7.418 ( 2.635 12.819 -0.259) 13.090 7.983 ( -5.079 5.311 5.751) 9.332 8.197 ( -9.093 12.093 -1.143) 15.173 9.208 ( 10.930 -7.324 6.420) 14.639 9.582 ( 6.958 7.015 12.411) 15.864 10.363 ( -5.896 -11.288 -9.432) 15.848 10.702 ( 12.350 5.207 1.211) 13.457 11.142 ( 12.148 15.522 -18.172) 26.809 11.827 ( -1.883 1.257 -8.709) 8.999 12.473 ( 12.446 2.676 -10.876) 16.744 14.153 ( 4.904 -7.649 5.636) 10.692 14.721 ( -7.322 -6.642 -7.708) 12.536 15.017 ( -5.881 1.924 -3.529) 7.123 15.467 ( 4.542 -6.331 -6.545) 10.176 16.982 ( -35.977 -9.180 21.771) 43.042 18.750 ( 17.952 -10.539 1.283) 20.856 19.617 ( -7.123 -3.281 -0.207) 7.845 19.821 ( -4.627 2.478 -1.170) 5.378 20.802 ( -28.862 4.266 4.759) 29.561 22.678 ( 36.781 -17.370 -10.807) 42.088 23.965 ( -6.329 4.873 -5.285) 9.578 24.022 ( 8.313 12.990 -1.844) 15.532 ======================= Grid point 291 (143/260) ======================= q-point: ( 0.20 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 12.251 4.913 16.390) 21.044 2.263 ( 14.210 8.693 11.597) 20.297 3.115 ( 1.706 -2.680 -8.203) 8.796 3.359 ( -1.895 6.588 -8.331) 10.789 3.575 ( -3.081 -1.545 -2.675) 4.363 3.631 ( 8.904 -6.497 0.293) 11.026 4.093 ( 5.677 3.818 22.438) 23.458 4.438 ( -16.411 0.288 5.326) 17.256 4.603 ( 12.477 1.867 12.725) 17.918 4.845 ( -1.379 1.576 -2.649) 3.377 5.647 ( -0.354 -3.581 4.591) 5.833 5.933 ( 0.445 5.166 0.341) 5.197 6.196 ( 6.110 -0.570 3.481) 7.055 7.262 ( -0.714 7.537 12.653) 14.745 7.476 ( 3.198 10.600 -3.542) 11.624 7.894 ( -5.134 6.695 2.512) 8.803 8.075 ( -3.183 13.556 4.850) 14.745 9.408 ( 5.219 -8.243 20.521) 22.723 9.692 ( 2.805 1.070 2.499) 3.906 10.297 ( 3.546 -5.455 -12.889) 14.438 10.889 ( 7.454 15.209 -3.295) 17.255 11.398 ( 12.500 5.666 -15.597) 20.776 11.724 ( -3.259 1.475 -7.660) 8.454 12.738 ( 16.658 2.784 -12.517) 21.021 14.154 ( -8.678 -8.875 12.652) 17.724 14.530 ( -9.257 -8.188 -10.918) 16.490 14.891 ( -4.427 4.022 -3.623) 6.992 15.531 ( 2.937 -5.658 -2.643) 6.901 16.632 ( -4.518 -2.172 16.288) 17.042 19.112 ( 15.156 -17.279 5.910) 23.732 19.412 ( -13.489 -2.319 -1.760) 13.800 19.701 ( -5.325 2.031 0.432) 5.715 20.242 ( -27.351 10.350 3.039) 29.402 23.234 ( 23.126 -17.128 -15.320) 32.602 23.804 ( -8.396 3.248 -5.025) 10.310 24.166 ( 6.531 9.507 -2.601) 11.824 ======================= Grid point 292 (144/260) ======================= q-point: ( 0.30 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 16.132 -1.126 12.791) 20.619 2.561 ( 13.349 6.681 9.889) 17.906 3.072 ( -3.706 -0.990 -8.160) 9.017 3.239 ( -7.468 3.979 -8.067) 11.691 3.496 ( -4.232 -0.573 -4.544) 6.236 3.818 ( 10.525 -7.998 -10.233) 16.717 4.119 ( -15.888 -1.991 4.820) 16.721 4.261 ( 2.615 3.872 16.569) 17.215 4.761 ( 4.033 -2.070 5.023) 6.767 4.962 ( 11.245 6.243 9.482) 15.979 5.639 ( -1.552 -2.160 3.888) 4.711 5.917 ( -2.377 5.123 -0.389) 5.661 6.309 ( 5.112 0.518 5.048) 7.204 7.285 ( -0.096 6.370 16.429) 17.621 7.504 ( 0.230 7.191 -5.122) 8.832 7.807 ( -4.004 8.875 3.629) 10.391 8.082 ( 1.450 15.045 10.744) 18.544 9.470 ( -3.718 -10.157 24.250) 26.553 9.773 ( 6.417 -3.323 -2.384) 7.609 10.426 ( 10.756 1.606 -12.561) 16.614 11.011 ( 5.695 15.959 -2.992) 17.207 11.324 ( -11.642 1.057 -13.037) 17.511 11.843 ( 11.426 5.069 -5.844) 13.799 13.046 ( 17.384 2.065 -16.514) 24.066 13.920 ( -15.605 -5.973 18.796) 25.149 14.303 ( -11.327 -7.975 -13.189) 19.127 14.851 ( -0.032 2.535 1.075) 2.754 15.566 ( 0.921 -5.407 -1.407) 5.662 16.795 ( 16.098 -0.696 5.232) 16.941 19.088 ( -18.215 -0.504 -3.087) 18.482 19.197 ( -7.586 -14.848 -0.381) 16.678 19.654 ( -11.058 3.283 -2.872) 11.888 19.921 ( 5.392 7.968 16.702) 19.275 23.456 ( -0.699 -5.176 -22.320) 22.923 23.706 ( 4.459 -7.430 -0.256) 8.669 24.258 ( 3.311 5.581 -2.925) 7.118 ======================= Grid point 293 (145/260) ======================= q-point: ( 0.40 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 16.684 -4.846 8.178) 19.202 2.780 ( 1.083 -0.451 7.904) 7.990 2.978 ( 0.258 4.673 -3.086) 5.606 3.076 ( -4.993 3.792 -11.364) 12.979 3.363 ( -9.241 0.430 -2.417) 9.562 3.824 ( -11.034 -4.265 4.594) 12.690 4.004 ( 6.556 -5.991 -8.414) 12.234 4.223 ( -6.418 -1.724 -2.383) 7.059 4.922 ( 9.223 1.079 10.948) 14.356 5.192 ( 8.751 6.317 10.307) 14.924 5.604 ( -2.755 -0.446 3.309) 4.328 5.833 ( -5.631 5.195 0.060) 7.662 6.447 ( 7.656 2.268 8.236) 11.471 7.340 ( 1.739 2.642 16.142) 16.449 7.462 ( -2.730 5.870 -5.422) 8.444 7.757 ( -2.358 9.063 6.760) 11.550 8.161 ( 3.118 16.684 14.124) 22.080 9.434 ( -4.068 -14.096 18.518) 23.625 9.904 ( 6.185 -0.397 0.144) 6.199 10.603 ( 9.143 5.205 -12.206) 16.114 10.943 ( -15.075 -0.056 -5.799) 16.152 11.196 ( 5.390 15.451 -4.472) 16.964 11.978 ( 2.285 5.416 -3.070) 6.631 13.289 ( 9.226 -0.432 -23.201) 24.972 13.711 ( -8.733 -3.623 15.314) 17.998 14.070 ( -7.056 -6.993 -7.144) 12.236 14.870 ( 1.047 1.000 5.426) 5.616 15.556 ( -1.518 -5.253 -1.962) 5.809 17.215 ( 24.773 0.546 -0.561) 24.786 18.704 ( -19.204 -0.327 -6.632) 20.319 18.995 ( -9.638 -2.191 -0.897) 9.924 19.361 ( -12.959 5.211 -1.824) 14.087 20.280 ( 19.324 -3.246 22.155) 29.577 23.244 ( -12.045 -2.434 -21.188) 24.494 23.860 ( 8.119 -8.863 -3.938) 12.648 24.281 ( -0.226 2.637 -3.230) 4.176 ======================= Grid point 294 (146/260) ======================= q-point: (-0.50 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -15.519 0.268 2.297) 15.691 2.848 ( 6.010 -6.651 -0.778) 8.998 2.972 ( 2.539 0.755 -8.963) 9.346 3.073 ( -10.752 -3.245 12.336) 16.682 3.221 ( 7.641 8.913 -3.032) 12.125 3.688 ( -3.536 -5.156 2.484) 6.727 3.939 ( -11.136 3.448 -3.752) 12.247 4.180 ( 3.133 -8.649 -8.853) 12.767 5.107 ( 6.201 2.147 9.803) 11.796 5.329 ( 2.453 5.663 9.696) 11.493 5.549 ( -3.466 0.379 3.878) 5.215 5.733 ( -3.698 6.021 1.047) 7.143 6.641 ( 9.537 3.541 10.104) 14.339 7.357 ( -3.134 2.944 -2.694) 5.075 7.456 ( 3.162 1.315 9.910) 10.485 7.747 ( -0.396 7.447 8.890) 11.604 8.252 ( 2.429 17.012 14.483) 22.474 9.397 ( -4.118 -15.459 15.405) 22.210 9.982 ( 1.071 0.521 -2.471) 2.743 10.587 ( -15.798 2.267 -0.549) 15.969 10.732 ( 4.394 6.806 -13.529) 15.769 11.319 ( 5.770 14.690 2.150) 15.929 11.920 ( -6.936 5.171 -1.287) 8.747 13.217 ( -9.343 -3.628 -25.505) 27.404 13.629 ( -3.337 -3.287 10.264) 11.282 14.109 ( 11.330 -5.162 -3.825) 13.025 14.917 ( 2.181 0.488 7.764) 8.079 15.501 ( -3.291 -4.908 -3.189) 6.715 17.725 ( 26.447 2.413 -1.032) 26.577 18.319 ( -17.237 0.926 -11.750) 20.881 18.866 ( -3.625 4.513 2.755) 6.411 19.193 ( -2.694 -0.258 -1.305) 3.005 20.710 ( 18.293 -4.202 25.052) 31.303 22.913 ( -16.261 -6.115 -25.697) 31.018 23.984 ( 5.403 -4.836 -2.771) 7.763 24.234 ( -3.624 1.465 -3.953) 5.559 ======================= Grid point 295 (147/260) ======================= q-point: (-0.40 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -17.811 2.684 2.860) 18.237 2.653 ( -20.386 -3.948 10.208) 23.138 2.916 ( 1.027 -1.483 -7.008) 7.236 3.153 ( 5.881 -2.655 1.815) 6.702 3.399 ( 9.323 4.322 -5.553) 11.680 3.556 ( -14.537 1.029 1.802) 14.685 3.829 ( 4.596 0.448 2.564) 5.282 4.171 ( -3.226 -2.902 -4.263) 6.083 5.195 ( 0.685 -0.407 9.309) 9.343 5.347 ( -1.629 2.922 7.995) 8.667 5.504 ( -2.118 1.853 5.400) 6.089 5.696 ( -1.023 7.191 1.190) 7.361 6.850 ( 8.823 4.457 10.646) 14.527 7.290 ( -1.847 3.787 -7.762) 8.832 7.530 ( 0.689 -3.776 8.039) 8.908 7.789 ( 2.694 5.470 9.527) 11.311 8.315 ( 0.966 15.989 12.308) 20.201 9.317 ( -7.707 -13.555 11.254) 19.230 9.905 ( -7.678 -0.823 -7.783) 10.964 10.314 ( -12.011 4.427 11.630) 17.295 10.774 ( 2.318 7.368 -11.611) 13.945 11.402 ( 1.392 15.686 4.205) 16.299 11.745 ( -9.142 4.816 -1.150) 10.397 12.915 ( -13.741 -3.070 -23.531) 27.421 13.626 ( 0.398 -4.765 10.256) 11.315 14.384 ( 16.093 -4.806 -6.914) 18.163 14.987 ( 2.730 0.012 8.611) 9.033 15.421 ( -3.726 -4.308 -4.998) 7.578 17.993 ( -11.674 1.126 -14.387) 18.561 18.228 ( 23.637 4.471 2.141) 24.152 18.868 ( 3.633 -2.267 3.615) 5.604 19.266 ( 9.583 3.061 0.191) 10.062 21.101 ( 15.162 -3.097 26.626) 30.796 22.474 ( -22.053 -10.154 -31.448) 39.729 24.059 ( 1.950 -1.594 -0.928) 2.684 24.131 ( -4.866 2.609 -4.927) 7.400 ======================= Grid point 296 (148/260) ======================= q-point: (-0.30 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -16.270 4.634 7.478) 18.497 2.266 ( -20.854 -0.816 15.485) 25.988 2.979 ( 6.014 -1.839 -1.448) 6.453 3.196 ( -2.012 1.296 -3.126) 3.937 3.229 ( -14.913 6.670 0.501) 16.344 3.574 ( 8.183 0.902 -1.952) 8.461 3.975 ( 5.282 -2.242 8.918) 10.605 4.049 ( -6.379 3.336 -2.969) 7.787 5.203 ( -1.638 -5.793 9.720) 11.434 5.314 ( -3.779 1.644 5.485) 6.860 5.485 ( -1.159 2.888 6.121) 6.867 5.681 ( -0.829 8.046 2.107) 8.358 7.006 ( 3.285 3.426 8.859) 10.050 7.256 ( 0.513 3.991 -9.492) 10.310 7.465 ( -8.999 -6.500 1.209) 11.167 7.900 ( 6.359 3.719 8.768) 11.452 8.366 ( 2.174 16.089 10.759) 19.477 9.147 ( -11.067 -8.289 8.757) 16.367 9.675 ( -13.170 -0.052 -8.649) 15.756 10.161 ( -7.602 2.353 20.021) 21.544 10.772 ( -0.078 5.730 -8.381) 10.152 11.372 ( -5.007 12.959 0.434) 13.899 11.619 ( -2.483 8.352 0.243) 8.717 12.612 ( -11.211 -1.176 -21.268) 24.070 13.681 ( 2.579 -5.482 10.551) 12.166 14.674 ( 14.405 -4.435 -7.072) 16.648 15.052 ( 1.684 -1.132 8.519) 8.757 15.338 ( -2.880 -3.507 -8.593) 9.718 17.802 ( -4.141 -1.814 -12.656) 13.439 18.682 ( 22.323 1.776 6.434) 23.299 19.033 ( 11.603 -7.426 1.310) 13.839 19.528 ( 15.809 6.917 2.279) 17.406 21.410 ( 9.183 -2.084 25.333) 27.026 21.893 ( -29.010 -11.940 -34.127) 46.355 23.968 ( -6.905 3.879 -4.714) 9.217 24.123 ( 1.563 2.389 -0.892) 2.991 ======================= Grid point 297 (149/260) ======================= q-point: (-0.20 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -10.426 6.424 16.709) 20.717 1.938 ( -15.771 6.015 18.919) 25.354 2.907 ( -14.636 9.530 7.277) 18.921 3.126 ( 7.165 -1.804 2.159) 7.698 3.215 ( 4.153 3.716 -7.379) 9.247 3.658 ( -2.258 1.651 9.752) 10.145 3.923 ( -1.172 3.507 -3.964) 5.421 4.087 ( 1.867 -1.963 5.155) 5.824 5.161 ( -5.661 -5.499 5.900) 9.854 5.224 ( -5.788 0.056 7.644) 9.589 5.492 ( 0.661 2.123 5.890) 6.295 5.685 ( 0.809 7.191 3.224) 7.922 6.884 ( -19.544 -6.948 1.617) 20.805 7.276 ( 2.686 6.967 -14.484) 16.295 7.292 ( -3.982 2.897 8.252) 9.609 8.061 ( 7.022 2.340 8.240) 11.076 8.451 ( 3.189 16.688 9.224) 19.333 8.979 ( -6.474 -5.504 9.587) 12.811 9.372 ( -14.550 3.147 -6.859) 16.390 10.108 ( -2.257 -1.431 18.899) 19.087 10.736 ( -1.920 3.715 -5.111) 6.603 11.254 ( -5.771 8.989 -3.055) 11.110 11.627 ( 2.688 10.247 -1.911) 10.765 12.393 ( -6.102 1.566 -18.247) 19.304 13.769 ( 3.794 -5.428 10.743) 12.620 14.890 ( 7.565 -2.939 -2.667) 8.543 15.091 ( 0.820 -2.708 6.754) 7.323 15.280 ( 0.185 -3.346 -15.073) 15.441 17.777 ( 3.768 -8.550 -7.727) 12.125 19.162 ( 23.564 -8.030 6.430) 25.711 19.254 ( 9.138 -5.013 -3.162) 10.892 19.860 ( 15.320 5.544 3.562) 16.677 21.139 ( -30.998 -9.030 -26.655) 41.868 21.629 ( 1.414 0.462 21.079) 21.132 23.837 ( -4.600 8.249 -4.625) 10.517 24.139 ( 0.199 3.830 -0.902) 3.940 ======================= Grid point 298 (150/260) ======================= q-point: (-0.10 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -4.409 9.502 21.213) 23.658 1.753 ( -7.850 13.203 22.103) 26.916 2.734 ( -3.745 6.969 10.995) 13.546 3.200 ( 3.409 4.078 -7.911) 9.530 3.393 ( 11.191 -0.272 3.223) 11.649 3.570 ( -7.495 5.319 18.536) 20.690 3.959 ( 4.303 -0.567 -6.742) 8.018 4.091 ( -2.349 -0.799 7.239) 7.652 5.028 ( -6.792 -2.348 4.188) 8.318 5.126 ( -6.935 -0.297 7.266) 10.049 5.539 ( 2.518 0.035 5.650) 6.186 5.726 ( 2.470 5.419 3.384) 6.850 6.413 ( -24.113 -4.556 6.318) 25.340 7.245 ( 0.092 6.099 -8.112) 10.149 7.336 ( 1.995 9.803 3.821) 10.708 8.150 ( -1.476 1.662 9.967) 10.212 8.499 ( -0.007 14.999 1.603) 15.085 8.934 ( -2.421 -5.505 4.282) 7.382 9.196 ( 1.780 6.705 2.996) 7.556 10.166 ( 4.852 -3.850 12.395) 13.856 10.675 ( -3.482 -0.047 -2.415) 4.238 11.137 ( -4.643 11.875 -8.483) 15.315 11.703 ( 5.711 5.698 -5.496) 9.762 12.295 ( -0.082 3.961 -14.183) 14.726 13.879 ( 5.001 -5.159 9.717) 12.085 14.929 ( -2.206 -2.803 -0.189) 3.572 15.122 ( 0.065 -0.377 4.897) 4.912 15.299 ( 5.772 -6.155 -19.160) 20.936 17.889 ( 7.017 -18.742 -0.097) 20.013 19.133 ( -25.773 -13.008 -14.783) 32.435 19.577 ( 13.397 -2.892 1.457) 13.783 19.900 ( -8.022 -1.335 -4.691) 9.389 21.005 ( 28.678 1.350 2.140) 28.789 21.600 ( -9.674 0.790 16.456) 19.105 23.791 ( 1.235 12.571 -2.912) 12.963 24.125 ( -1.342 4.695 -2.090) 5.311 ======================= Grid point 299 (151/260) ======================= q-point: ( 0.00 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 0.677 17.426 15.375) 23.249 2.048 ( 2.509 16.885 20.313) 26.533 2.881 ( 2.169 5.044 5.411) 7.709 3.321 ( 4.372 -2.196 -2.110) 5.328 3.575 ( 2.234 2.358 1.002) 3.399 3.685 ( -3.798 13.461 15.519) 20.891 4.044 ( 0.848 -2.887 15.378) 15.670 4.062 ( 6.602 2.526 -4.835) 8.564 4.867 ( -4.580 -4.197 -0.753) 6.258 5.035 ( -5.233 2.589 4.319) 7.262 5.524 ( 0.221 -5.472 4.486) 7.079 5.860 ( 2.268 1.495 0.554) 2.772 6.141 ( -5.533 4.467 10.299) 12.516 7.445 ( 1.417 12.810 -7.405) 14.864 7.652 ( 2.523 13.071 7.296) 15.180 8.228 ( -3.295 11.314 9.254) 14.983 8.682 ( -11.701 12.533 1.162) 17.185 8.898 ( 9.050 -2.575 4.591) 10.470 9.522 ( 11.207 6.580 4.809) 13.857 10.282 ( -2.966 -3.624 -0.261) 4.690 10.480 ( 6.197 -2.380 6.131) 9.036 11.253 ( 4.139 -1.165 -9.057) 10.025 12.039 ( 1.198 20.230 -11.721) 23.411 12.426 ( 4.214 6.736 -9.110) 12.088 13.856 ( 5.306 -8.930 7.232) 12.657 14.729 ( -7.333 -7.314 -3.763) 11.020 15.127 ( -0.832 1.120 -4.969) 5.161 15.167 ( 5.886 -13.745 -11.220) 18.694 17.182 ( -22.445 -26.233 19.735) 39.767 18.489 ( -8.092 -5.680 -19.134) 21.537 19.625 ( -0.749 -2.879 1.624) 3.389 19.890 ( 2.494 1.126 -5.093) 5.782 21.325 ( -17.920 1.648 9.188) 20.205 21.664 ( 32.662 -7.834 2.036) 33.650 24.117 ( 5.022 8.140 -2.775) 9.959 24.227 ( -1.930 9.182 -3.826) 10.133 ======================= Grid point 300 (152/260) ======================= q-point: ( 0.10 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 0.009 16.161 15.365) 22.299 2.220 ( 9.373 14.137 15.888) 23.241 2.990 ( 6.475 -0.083 0.857) 6.532 3.384 ( 3.150 -4.489 -4.807) 7.293 3.583 ( -1.288 2.707 -3.323) 4.476 3.638 ( -3.881 8.905 9.641) 13.686 4.058 ( 1.993 3.838 17.722) 18.242 4.290 ( 9.928 -2.636 9.246) 13.821 4.741 ( -7.489 -1.661 -4.585) 8.937 4.944 ( -4.224 3.899 2.425) 6.239 5.551 ( 1.381 -4.667 4.489) 6.621 5.934 ( 4.743 -0.397 -1.268) 4.925 6.132 ( 1.426 5.422 8.977) 10.583 7.454 ( 1.007 12.232 -4.214) 12.977 7.703 ( 0.671 13.028 7.515) 15.055 8.201 ( -1.917 15.723 7.464) 17.511 8.483 ( -7.743 14.304 1.656) 16.350 9.092 ( 8.600 -3.424 8.906) 12.845 9.698 ( 2.893 3.500 4.274) 6.236 10.133 ( -3.413 -9.880 -8.172) 13.268 10.826 ( 21.163 6.326 9.247) 23.946 11.347 ( 7.602 1.132 -12.965) 15.072 11.974 ( -5.111 14.571 -12.144) 19.645 12.571 ( 12.347 7.048 -9.015) 16.834 13.953 ( 2.079 -10.694 7.155) 13.034 14.550 ( -9.611 -9.592 -6.954) 15.256 15.051 ( -3.724 0.342 -10.433) 11.083 15.276 ( 5.561 -11.136 -2.748) 12.747 16.750 ( -21.122 -12.186 21.444) 32.473 18.497 ( 9.407 -12.573 -7.402) 17.360 19.560 ( -6.022 -2.247 -0.805) 6.478 19.859 ( -4.672 1.272 -3.331) 5.877 20.908 ( -23.763 5.575 5.458) 25.010 22.319 ( 31.496 -16.081 -3.124) 35.502 24.085 ( -6.763 6.356 -3.612) 9.959 24.258 ( 4.757 8.767 -3.975) 10.737 ======================= Grid point 301 (153/260) ======================= q-point: ( 0.20 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 5.213 11.481 13.896) 18.764 2.453 ( 10.261 9.004 13.882) 19.470 3.087 ( 2.984 -0.748 -3.631) 4.759 3.437 ( 3.428 -7.883 -6.630) 10.856 3.491 ( -6.635 5.596 -6.040) 10.574 3.602 ( 0.083 1.111 -1.202) 1.639 4.203 ( 4.493 3.613 18.471) 19.349 4.332 ( -8.095 -4.309 9.840) 13.451 4.665 ( 1.288 -0.128 -0.978) 1.622 4.922 ( 3.864 6.422 2.882) 8.030 5.593 ( 1.592 -2.018 4.776) 5.424 6.003 ( 2.114 0.921 -2.556) 3.442 6.218 ( 4.898 3.602 7.947) 10.006 7.464 ( -0.216 11.308 3.366) 11.800 7.703 ( -1.670 10.063 1.765) 10.352 8.165 ( -3.527 18.379 6.879) 19.939 8.414 ( -0.159 18.417 5.848) 19.324 9.253 ( 3.235 -6.898 14.206) 16.120 9.636 ( -3.811 -5.720 -3.105) 7.543 10.219 ( 10.863 -1.317 -5.248) 12.136 11.235 ( 16.218 15.554 7.339) 23.639 11.450 ( 2.946 -1.851 -13.354) 13.800 11.845 ( -1.091 11.579 -13.231) 17.615 12.834 ( 15.639 6.389 -8.819) 19.057 13.935 ( -6.637 -11.129 11.290) 17.187 14.327 ( -10.795 -11.354 -10.253) 18.724 14.955 ( -3.352 1.531 -7.093) 7.993 15.364 ( 3.655 -9.774 -0.988) 10.481 16.575 ( -0.154 -3.059 15.097) 15.405 18.720 ( 11.925 -18.756 -1.087) 22.252 19.380 ( -11.956 -1.224 -2.721) 12.323 19.726 ( -6.456 0.699 -1.203) 6.605 20.467 ( -21.466 10.704 5.303) 24.566 22.853 ( 23.890 -18.441 -7.401) 31.074 23.897 ( -10.930 5.131 -5.082) 13.101 24.326 ( 2.785 5.594 -3.502) 7.164 ======================= Grid point 302 (154/260) ======================= q-point: ( 0.30 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 10.235 5.064 11.379) 16.121 2.669 ( 8.115 3.974 11.367) 14.521 3.087 ( -1.345 0.703 -5.946) 6.136 3.328 ( -7.741 5.901 -6.394) 11.646 3.450 ( -1.118 -4.461 -6.254) 7.763 3.661 ( 6.926 -6.466 -8.493) 12.724 3.998 ( -17.399 -8.811 1.964) 19.602 4.350 ( -2.832 3.348 5.775) 7.251 4.741 ( 8.012 0.609 10.635) 13.329 5.110 ( 11.245 7.563 7.674) 15.573 5.628 ( 0.737 0.926 4.667) 4.815 6.001 ( -1.854 2.468 -1.332) 3.363 6.351 ( 6.858 4.123 7.645) 11.067 7.449 ( -2.983 8.967 11.649) 15.000 7.666 ( -1.389 8.123 -4.963) 9.619 8.095 ( -5.181 17.084 8.061) 19.588 8.481 ( 4.202 22.302 9.791) 24.716 9.214 ( -6.948 -13.777 6.624) 16.791 9.709 ( 9.303 -2.164 3.256) 10.092 10.445 ( 12.358 0.692 -4.059) 13.026 11.290 ( -13.653 0.697 -9.201) 16.479 11.477 ( 8.523 21.662 -0.990) 23.299 11.963 ( 11.132 6.189 -7.953) 15.015 13.117 ( 14.571 4.520 -10.047) 18.267 13.769 ( -11.616 -7.818 14.867) 20.423 14.082 ( -11.460 -12.975 -12.338) 21.258 14.900 ( -1.235 1.722 -1.456) 2.571 15.411 ( 1.271 -8.998 -0.836) 9.126 16.786 ( 17.725 0.068 5.661) 18.608 18.876 ( 2.921 -15.052 -2.829) 15.591 19.086 ( -16.212 -0.407 -2.594) 16.423 19.663 ( -1.486 -1.020 0.292) 1.826 20.133 ( -11.626 11.224 10.905) 19.495 23.210 ( 13.334 -16.046 -14.680) 25.510 23.661 ( -10.089 1.143 -2.086) 10.366 24.349 ( 0.408 3.140 -3.564) 4.768 ======================= Grid point 303 (155/260) ======================= q-point: ( 0.40 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 12.401 -0.954 7.954) 14.763 2.766 ( -2.045 0.397 5.169) 5.573 3.031 ( -2.927 -0.322 -6.098) 6.772 3.193 ( -4.597 5.516 -3.153) 7.842 3.376 ( -3.667 2.027 -8.848) 9.790 3.687 ( -12.699 -9.120 4.113) 16.167 3.800 ( 8.378 -11.774 -8.209) 16.620 4.208 ( -9.388 -1.086 -5.458) 10.913 4.981 ( 11.176 4.574 13.915) 18.424 5.331 ( 8.211 6.377 9.240) 13.909 5.639 ( -0.689 3.755 4.198) 5.674 5.929 ( -4.810 3.697 0.328) 6.076 6.529 ( 9.377 5.865 8.470) 13.931 7.416 ( -2.878 4.554 13.090) 14.155 7.618 ( -2.535 8.687 -5.178) 10.426 8.012 ( -5.027 14.113 9.973) 17.997 8.588 ( 3.641 22.049 9.937) 24.458 9.118 ( -3.206 -14.189 3.337) 14.925 9.901 ( 7.467 0.308 4.767) 8.865 10.667 ( 10.677 1.298 -3.512) 11.314 10.965 ( -16.220 1.552 -6.032) 17.375 11.616 ( 6.646 23.790 -2.786) 24.858 12.097 ( 2.366 5.301 -3.104) 6.583 13.290 ( 2.114 0.722 -11.491) 11.706 13.620 ( -4.854 -4.714 7.363) 10.000 13.862 ( -5.641 -13.048 -5.694) 15.313 14.897 ( 0.681 1.406 2.647) 3.074 15.409 ( -1.121 -8.437 -1.374) 8.621 17.243 ( 26.902 2.302 -0.196) 27.001 18.688 ( -17.292 -1.442 -7.741) 19.001 18.946 ( 1.566 -2.322 -0.680) 2.882 19.481 ( -15.996 5.590 -1.995) 17.062 20.209 ( 13.066 -2.934 20.973) 24.884 23.147 ( -13.310 -7.360 -23.977) 28.394 23.668 ( 8.909 -8.425 3.229) 12.680 24.327 ( -1.713 1.707 -4.135) 4.790 ======================= Grid point 304 (156/260) ======================= q-point: (-0.50 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -11.351 1.937 1.796) 11.654 2.730 ( 4.865 -4.020 1.849) 6.576 2.963 ( -4.464 -4.473 4.425) 7.714 3.005 ( -8.133 -0.327 -10.561) 13.334 3.397 ( 5.814 7.250 -6.371) 11.268 3.553 ( -2.530 -6.918 7.077) 10.215 3.941 ( 7.369 -12.244 -6.167) 15.564 4.003 ( -9.241 0.597 -7.284) 11.782 5.193 ( 6.518 5.590 10.962) 13.924 5.435 ( -0.626 4.317 9.342) 10.310 5.623 ( -1.487 6.375 4.519) 7.954 5.849 ( -2.609 4.890 1.339) 5.702 6.751 ( 10.785 7.082 9.435) 15.985 7.394 ( -2.470 0.954 9.369) 9.736 7.548 ( -3.242 6.679 -3.270) 8.112 7.956 ( -2.938 11.561 11.989) 16.912 8.653 ( 0.997 17.490 6.412) 18.655 9.097 ( -0.566 -9.505 4.904) 10.710 9.975 ( -1.147 -0.607 0.488) 1.386 10.661 ( -13.525 4.508 1.946) 14.389 10.833 ( 6.637 3.310 -4.150) 8.499 11.737 ( 5.980 23.542 -1.944) 24.367 12.039 ( -6.953 5.680 -0.093) 8.979 13.134 ( -11.813 -3.678 -13.519) 18.326 13.535 ( -4.742 -5.563 3.009) 7.905 13.951 ( 12.507 -10.132 -1.998) 16.220 14.934 ( 2.136 1.089 4.101) 4.750 15.367 ( -2.589 -7.529 -2.034) 8.217 17.799 ( 28.927 4.709 -2.163) 29.387 18.340 ( -15.001 0.936 -10.704) 18.452 18.988 ( -3.241 6.816 0.936) 7.605 19.191 ( -5.373 0.276 -0.221) 5.385 20.589 ( 18.387 -7.241 24.806) 31.715 22.742 ( -20.876 -9.958 -26.098) 34.872 23.864 ( 9.337 -6.138 1.428) 11.265 24.265 ( -3.399 1.301 -5.313) 6.440 ======================= Grid point 305 (157/260) ======================= q-point: (-0.40 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -15.414 4.969 0.777) 16.214 2.571 ( -16.663 -2.978 9.097) 19.217 2.868 ( 1.057 -3.069 -5.942) 6.771 3.101 ( 8.251 -2.337 0.352) 8.583 3.422 ( -1.115 -3.073 -6.569) 7.338 3.607 ( 2.512 4.594 4.803) 7.105 3.856 ( -2.081 1.616 -4.040) 4.823 4.054 ( 4.915 -8.558 -3.347) 10.421 5.234 ( -5.591 4.124 9.033) 11.396 5.401 ( -2.124 2.953 7.832) 8.635 5.608 ( -1.824 6.713 6.385) 9.442 5.835 ( 0.154 5.942 0.879) 6.009 6.975 ( 8.833 7.125 9.916) 15.070 7.349 ( -3.772 -0.595 5.582) 6.764 7.477 ( -3.448 1.472 -3.744) 5.298 7.961 ( 0.772 9.978 13.043) 16.440 8.669 ( 0.364 14.116 2.325) 14.311 9.086 ( -2.618 -4.962 6.330) 8.459 9.868 ( -8.536 -2.103 -2.113) 9.041 10.441 ( -11.046 7.701 11.799) 17.904 10.897 ( 1.091 4.546 -6.428) 7.948 11.756 ( -7.122 10.319 -7.922) 14.831 11.940 ( 0.893 19.407 7.723) 20.907 12.850 ( -12.464 -2.345 -15.672) 20.161 13.488 ( -1.022 -8.238 6.327) 10.437 14.229 ( 15.566 -10.346 -4.507) 19.226 14.987 ( 1.888 -0.170 3.943) 4.375 15.307 ( -2.617 -5.977 -3.092) 7.221 18.029 ( -11.496 2.371 -12.776) 17.349 18.356 ( 23.958 7.599 -1.599) 25.185 18.802 ( -6.972 -3.983 2.463) 8.399 19.351 ( 14.261 4.934 1.905) 15.210 21.006 ( 17.381 -6.026 26.779) 32.488 22.219 ( -25.764 -13.320 -29.098) 41.084 24.020 ( 5.555 -1.936 0.924) 5.954 24.181 ( -2.870 1.896 -6.610) 7.452 ======================= Grid point 306 (158/260) ======================= q-point: (-0.30 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -13.441 7.071 6.233) 16.416 2.288 ( -14.121 3.679 14.322) 20.446 2.928 ( 5.547 -2.953 -0.687) 6.321 3.229 ( 4.883 2.064 -3.496) 6.350 3.337 ( -7.273 1.490 0.912) 7.480 3.614 ( 1.163 3.532 -5.408) 6.563 3.921 ( 5.420 -2.482 5.093) 7.841 4.106 ( 0.696 0.741 -1.402) 1.731 5.105 ( -7.066 -2.169 7.555) 10.570 5.362 ( -4.695 2.755 6.310) 8.334 5.575 ( -2.981 4.775 7.426) 9.318 5.838 ( -0.053 6.752 0.079) 6.752 7.033 ( -9.332 -3.676 6.761) 12.096 7.323 ( 2.070 3.190 12.546) 13.110 7.413 ( -0.111 4.228 -12.227) 12.938 8.050 ( 5.132 9.509 12.326) 16.392 8.709 ( 3.786 13.591 1.495) 14.187 9.001 ( -7.696 -2.748 6.298) 10.317 9.667 ( -11.172 -0.621 -0.900) 11.226 10.269 ( -9.651 8.044 17.240) 21.332 10.856 ( -3.292 2.831 -6.928) 8.176 11.533 ( -11.105 2.656 -7.163) 13.479 12.013 ( 2.703 26.551 4.221) 27.019 12.603 ( -8.473 1.158 -15.049) 17.309 13.519 ( 2.365 -9.911 7.858) 12.867 14.523 ( 15.138 -10.621 -6.114) 19.476 15.010 ( -0.695 -3.186 3.339) 4.668 15.257 ( -1.407 -3.506 -5.267) 6.482 17.777 ( -11.018 -0.003 -8.825) 14.117 18.646 ( 7.451 -7.240 1.391) 10.482 18.947 ( 19.109 1.076 -1.628) 19.208 19.666 ( 16.052 5.844 2.764) 17.305 21.355 ( 8.777 -3.020 22.816) 24.632 21.619 ( -25.381 -13.037 -25.580) 38.321 24.032 ( -2.596 2.303 -4.975) 6.066 24.188 ( 3.668 3.081 -2.156) 5.253 ======================= Grid point 307 (159/260) ======================= q-point: (-0.20 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -5.312 12.636 15.496) 20.689 2.092 ( -9.224 8.739 17.380) 21.529 3.064 ( 6.541 -3.346 3.847) 8.294 3.128 ( -10.750 9.645 3.681) 14.904 3.344 ( 7.078 8.535 -7.978) 13.660 3.647 ( 1.914 -3.211 1.615) 4.072 4.003 ( -1.129 -0.288 14.371) 14.418 4.085 ( -0.294 5.884 -7.318) 9.394 5.026 ( -2.769 -6.448 3.921) 8.039 5.241 ( -8.418 1.224 6.714) 10.837 5.535 ( -2.477 1.271 7.008) 7.540 5.835 ( -0.084 6.514 -0.372) 6.525 6.711 ( -21.153 -8.426 6.984) 23.817 7.398 ( 1.693 7.750 -1.119) 8.011 7.458 ( 6.148 9.393 -0.293) 11.230 8.197 ( 6.004 9.565 10.464) 15.396 8.808 ( -1.062 15.768 5.657) 16.786 8.850 ( -1.800 -5.486 4.492) 7.316 9.437 ( -11.151 2.720 -0.792) 11.505 10.164 ( -4.622 6.933 18.000) 19.836 10.748 ( -6.122 -1.380 -5.822) 8.560 11.333 ( -7.061 -0.852 -5.919) 9.253 12.039 ( 0.181 25.805 -4.431) 26.183 12.461 ( -2.988 5.727 -11.299) 13.016 13.609 ( 4.570 -9.818 8.622) 13.843 14.781 ( 11.876 -8.955 -5.458) 15.843 14.976 ( -2.757 -7.523 0.701) 8.043 15.224 ( -0.628 -1.522 -8.089) 8.255 17.575 ( -8.218 -9.662 -0.268) 12.686 18.826 ( 9.457 -18.022 -4.670) 20.881 19.310 ( 16.874 4.814 -2.855) 17.778 19.921 ( 6.158 0.158 -1.411) 6.319 21.005 ( -17.573 -2.914 -15.850) 23.844 21.618 ( 3.373 -1.297 20.961) 21.270 23.985 ( 0.047 5.479 -6.188) 8.265 24.246 ( 2.138 5.596 -1.333) 6.137 ======================= Grid point 308 (160/260) ======================= q-point: (-0.10 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 0.608 18.716 17.888) 25.897 2.015 ( -3.147 11.340 20.826) 23.921 2.926 ( -7.919 10.653 5.378) 14.321 3.216 ( 6.351 -3.006 2.187) 7.359 3.484 ( 7.604 8.797 -5.785) 12.988 3.687 ( 0.226 3.618 13.288) 13.773 3.962 ( -2.476 2.135 10.297) 10.803 4.081 ( -0.188 0.918 -4.164) 4.269 4.962 ( -5.079 -3.992 1.392) 6.609 5.116 ( -5.064 -0.544 6.748) 8.454 5.518 ( -0.743 -2.840 5.490) 6.225 5.837 ( 0.446 4.430 -0.293) 4.463 6.338 ( -16.867 -1.849 10.128) 19.761 7.427 ( 2.146 11.131 -7.148) 13.401 7.571 ( 4.364 11.764 5.202) 13.583 8.272 ( -1.682 9.605 9.668) 13.731 8.749 ( 2.015 1.774 4.063) 4.869 8.885 ( -5.578 6.801 5.325) 10.282 9.331 ( 3.915 6.136 0.608) 7.304 10.183 ( 2.908 5.564 15.102) 16.355 10.590 ( -8.496 -6.522 -4.684) 11.690 11.239 ( -1.184 -2.598 -5.912) 6.565 12.029 ( 1.332 23.401 -10.983) 25.884 12.414 ( 0.015 7.793 -8.663) 11.653 13.729 ( 5.509 -8.904 8.338) 13.385 14.855 ( -4.552 -4.316 0.387) 6.285 15.015 ( 8.307 -12.851 -6.351) 16.567 15.189 ( -0.739 -1.611 -11.216) 11.356 17.435 ( -8.653 -22.355 10.283) 26.084 18.814 ( -11.410 -15.849 -20.097) 28.023 19.566 ( 8.164 1.092 -0.697) 8.267 19.864 ( -2.854 -2.070 -6.129) 7.071 21.048 ( 21.016 2.614 3.656) 21.491 21.609 ( -8.710 0.093 14.688) 17.077 24.019 ( 4.529 8.320 -4.696) 10.573 24.260 ( -0.282 7.524 -2.062) 7.806 ======================= Grid point 309 (161/260) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 0.318 10.867 14.839) 18.395 2.424 ( 3.501 18.834 16.988) 25.604 3.004 ( -3.232 5.792 2.869) 7.226 3.225 ( 2.576 -5.033 2.077) 6.023 3.565 ( -0.101 -5.837 7.403) 9.428 3.961 ( 1.939 4.179 1.562) 4.864 4.053 ( -1.124 12.787 21.473) 25.017 4.156 ( 5.419 6.200 -8.015) 11.491 4.790 ( -4.999 -2.776 -2.807) 6.370 5.064 ( -1.977 -0.123 2.983) 3.580 5.372 ( 0.243 -8.927 4.185) 9.862 5.856 ( -0.173 -1.639 1.757) 2.409 6.251 ( -2.644 5.403 8.459) 10.379 7.720 ( 1.192 11.959 -13.845) 18.334 7.889 ( 2.853 11.005 14.650) 18.544 8.485 ( -1.043 9.474 14.495) 17.348 8.766 ( 2.950 -0.315 1.371) 3.268 9.017 ( -0.549 11.491 5.483) 12.744 9.629 ( 11.151 3.507 0.360) 11.695 10.139 ( -14.965 -8.897 -6.980) 18.757 10.552 ( 12.963 7.744 14.680) 21.060 11.124 ( 4.013 -8.964 -0.468) 9.833 12.490 ( -3.641 20.613 -8.905) 22.747 12.598 ( 4.540 9.663 -7.829) 13.239 13.680 ( 5.454 -6.984 3.146) 9.404 14.515 ( -7.196 -15.172 -9.981) 19.534 14.880 ( 4.991 -11.061 -3.140) 12.535 15.145 ( -0.411 0.430 -9.585) 9.604 16.743 ( -16.442 -15.924 19.162) 29.852 18.357 ( -6.120 -6.225 -25.719) 27.160 19.580 ( -1.312 -1.465 1.620) 2.548 19.905 ( 3.271 0.413 -7.348) 8.053 21.360 ( -14.427 1.691 8.385) 16.772 21.537 ( 21.860 -4.545 4.809) 22.840 24.246 ( 3.863 4.917 -1.374) 6.402 24.377 ( -1.461 4.838 -3.108) 5.933 ======================= Grid point 310 (162/260) ======================= q-point: ( 0.10 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 0.364 12.775 12.083) 17.588 2.522 ( 3.111 14.849 16.386) 22.331 3.010 ( 2.602 1.772 2.116) 3.793 3.250 ( 0.120 -6.618 -0.331) 6.627 3.565 ( -1.492 -5.740 5.560) 8.129 3.861 ( -7.799 9.244 -4.913) 13.054 4.137 ( 3.520 4.542 17.677) 18.588 4.317 ( 7.321 6.773 4.526) 10.953 4.681 ( -4.909 -3.086 -4.249) 7.189 5.009 ( -3.036 0.541 2.011) 3.682 5.439 ( 5.034 -5.624 3.461) 8.304 5.897 ( 3.737 -2.752 0.930) 4.733 6.260 ( 1.269 6.177 8.024) 10.205 7.701 ( 0.615 10.349 -10.982) 15.102 7.946 ( -1.365 11.485 13.745) 17.964 8.520 ( 0.874 9.084 11.754) 14.881 8.747 ( -1.721 12.716 1.134) 12.882 9.107 ( 4.789 6.057 7.484) 10.753 9.689 ( -10.013 -4.396 -2.004) 11.118 9.998 ( 7.770 -3.253 -4.465) 9.534 10.950 ( 23.448 5.420 12.781) 27.249 11.248 ( 7.806 -7.993 -3.484) 11.703 12.339 ( -7.817 18.472 -9.034) 21.998 12.749 ( 10.927 9.123 -7.486) 16.083 13.758 ( 1.367 -7.223 3.434) 8.114 14.316 ( -10.198 -13.617 -11.587) 20.583 14.938 ( 1.361 -10.262 -5.278) 11.620 15.141 ( 2.207 -1.297 -6.140) 6.652 16.522 ( -9.218 -9.216 19.515) 23.468 18.272 ( 3.127 -8.694 -16.245) 18.689 19.524 ( -5.249 -1.251 -0.438) 5.414 19.876 ( -4.548 0.417 -5.761) 7.352 21.016 ( -19.252 4.552 5.780) 20.610 22.040 ( 25.540 -10.702 1.651) 27.741 24.210 ( -7.233 5.487 -2.651) 9.458 24.377 ( 2.054 3.073 -2.620) 4.531 ======================= Grid point 311 (163/260) ======================= q-point: ( 0.20 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 1.326 13.054 10.690) 16.924 2.635 ( 4.675 9.070 14.234) 17.514 3.071 ( 2.092 -0.575 0.680) 2.274 3.253 ( 1.212 -8.611 -3.225) 9.275 3.533 ( -2.553 -7.020 3.450) 8.228 3.689 ( -7.807 9.917 -6.667) 14.274 4.123 ( -8.854 -4.301 -4.660) 10.890 4.448 ( 2.162 7.636 9.896) 12.685 4.609 ( 0.701 -2.255 4.972) 5.504 5.040 ( 6.328 2.906 5.398) 8.811 5.558 ( 5.798 -1.032 3.378) 6.789 5.978 ( 3.529 -2.583 -0.045) 4.374 6.334 ( 4.515 6.543 8.047) 11.311 7.697 ( -0.192 10.425 -2.609) 10.749 7.890 ( -5.450 8.405 6.126) 11.743 8.525 ( -4.178 12.310 8.422) 15.490 8.777 ( 4.110 14.432 5.497) 15.981 9.146 ( -4.521 -0.560 4.022) 6.077 9.525 ( 0.070 -3.956 0.789) 4.034 10.219 ( 12.601 0.354 -1.972) 12.759 11.343 ( 2.040 -6.937 -7.132) 10.156 11.471 ( 23.956 7.079 11.013) 27.300 12.185 ( -4.311 19.969 -10.633) 23.031 12.966 ( 12.058 4.845 -4.106) 13.628 13.742 ( -4.038 -6.716 5.479) 9.562 14.068 ( -11.938 -13.414 -13.190) 22.281 14.925 ( -0.700 -4.590 -4.788) 6.670 15.190 ( 3.196 -5.559 -3.047) 7.100 16.518 ( 5.499 -2.314 14.322) 15.515 18.386 ( 10.367 -12.930 -8.546) 18.646 19.358 ( -11.398 -0.913 -2.341) 11.672 19.736 ( -7.127 0.291 -2.802) 7.663 20.665 ( -17.656 8.085 5.867) 20.286 22.513 ( 22.202 -13.859 -2.003) 26.249 23.995 ( -13.220 4.052 -5.210) 14.776 24.401 ( 0.648 1.967 -2.036) 2.904 ======================= Grid point 312 (164/260) ======================= q-point: ( 0.30 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 4.012 9.378 9.518) 13.951 2.756 ( 4.289 5.056 9.185) 11.328 3.069 ( -2.203 -1.687 -1.532) 3.169 3.278 ( 1.047 -8.724 -4.975) 10.097 3.495 ( -1.749 -11.134 3.104) 11.690 3.540 ( -5.122 10.794 -6.397) 13.552 3.845 ( -14.848 -4.075 -12.602) 19.897 4.336 ( -8.969 -5.043 -6.665) 12.260 4.817 ( 12.323 6.579 18.497) 23.180 5.233 ( 10.017 3.451 8.985) 13.891 5.669 ( 4.488 2.954 3.282) 6.297 6.013 ( -0.196 -0.976 0.659) 1.194 6.477 ( 8.124 7.332 7.801) 13.439 7.637 ( -6.838 9.053 10.966) 15.779 7.830 ( -0.494 7.349 -4.862) 8.825 8.402 ( -9.292 8.971 8.396) 15.405 8.822 ( -3.593 0.140 -1.346) 3.840 9.081 ( 2.642 12.931 4.581) 13.970 9.683 ( 11.375 -0.956 7.470) 13.642 10.457 ( 11.900 0.352 -1.074) 11.953 11.237 ( -9.857 -4.408 -10.087) 14.776 11.895 ( 15.068 13.052 12.343) 23.447 12.153 ( 3.161 16.212 -12.009) 20.421 13.188 ( 10.813 0.371 -0.733) 10.844 13.629 ( -8.892 -5.391 8.137) 13.204 13.799 ( -11.546 -12.906 -14.791) 22.774 14.908 ( 0.033 -0.998 -2.113) 2.337 15.233 ( 1.534 -7.248 -2.090) 7.697 16.802 ( 20.325 1.395 6.476) 21.378 18.593 ( 11.008 -11.715 -5.412) 16.962 19.078 ( -15.416 -0.323 -3.153) 15.738 19.639 ( -2.190 -1.097 0.770) 2.567 20.350 ( -15.590 9.247 8.524) 20.030 22.886 ( 15.808 -14.073 -7.605) 22.490 23.692 ( -15.032 1.355 -4.713) 15.812 24.392 ( -0.924 1.237 -2.794) 3.192 ======================= Grid point 313 (165/260) ======================= q-point: ( 0.40 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 5.487 2.858 6.959) 9.311 2.815 ( -0.347 4.384 2.253) 4.942 2.988 ( -5.403 -3.199 -1.279) 6.408 3.211 ( -7.389 -2.871 -8.463) 11.596 3.414 ( -5.736 -9.341 0.212) 10.964 3.531 ( 1.960 2.851 2.059) 4.026 3.603 ( -1.967 -4.661 -15.595) 16.395 4.143 ( -8.227 -5.396 -7.912) 12.625 5.096 ( 11.366 5.926 15.363) 20.008 5.429 ( 6.743 2.907 10.295) 12.646 5.744 ( 2.308 5.792 3.179) 6.999 5.978 ( -3.265 1.025 2.311) 4.129 6.683 ( 10.731 8.399 7.513) 15.561 7.523 ( -6.775 5.883 11.976) 14.964 7.795 ( -3.230 7.850 -3.692) 9.257 8.237 ( -8.803 3.724 11.322) 14.818 8.724 ( -2.549 -5.936 -9.308) 11.331 9.202 ( 5.352 21.309 8.274) 23.477 9.907 ( 7.927 -0.268 5.232) 9.502 10.679 ( 10.778 0.267 -0.814) 10.812 10.979 ( -12.686 -0.638 -4.651) 13.527 12.123 ( 7.095 23.477 5.779) 25.197 12.186 ( 0.527 4.683 -6.331) 7.892 13.314 ( -5.204 1.198 1.242) 5.483 13.502 ( 2.629 -12.546 1.883) 12.956 13.576 ( -8.334 -8.290 -8.194) 14.329 14.919 ( 1.323 0.544 -0.253) 1.453 15.241 ( -0.200 -7.026 -1.763) 7.246 17.308 ( 29.297 3.735 0.205) 29.535 18.640 ( -11.143 -3.046 -8.235) 14.186 18.909 ( 6.239 -1.092 -0.507) 6.354 19.561 ( -10.425 1.834 -1.202) 10.654 20.187 ( -0.013 0.938 18.290) 18.315 22.952 ( -9.857 -10.313 -21.946) 26.175 23.542 ( 4.177 -3.892 5.097) 7.653 24.352 ( -2.262 0.821 -4.377) 4.995 ======================= Grid point 314 (166/260) ======================= q-point: (-0.50 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -2.022 -2.982 1.792) 4.024 2.752 ( -5.952 5.021 1.476) 7.926 2.854 ( -7.317 -4.342 -1.076) 8.576 3.021 ( -4.255 1.273 -9.845) 10.801 3.346 ( -1.403 -7.882 0.362) 8.014 3.596 ( 5.162 7.413 1.000) 9.088 3.661 ( 7.078 -13.716 -9.362) 18.052 3.992 ( -5.298 -2.290 -6.829) 8.941 5.311 ( 6.664 5.244 11.775) 14.510 5.508 ( -1.776 2.775 9.698) 10.242 5.771 ( -0.419 7.003 3.646) 7.907 5.927 ( -1.663 2.592 3.493) 4.657 6.919 ( 10.973 8.456 7.812) 15.904 7.426 ( -6.153 2.893 11.004) 12.935 7.681 ( -6.550 5.400 -5.037) 9.871 8.130 ( -5.090 2.090 15.529) 16.475 8.699 ( 1.962 -4.361 -10.049) 11.129 9.284 ( 0.950 20.191 5.965) 21.075 9.960 ( -3.308 -1.313 -0.063) 3.559 10.749 ( -7.674 3.464 3.033) 8.949 10.886 ( 6.879 2.005 1.871) 7.406 12.079 ( -8.532 3.702 -8.188) 12.391 12.278 ( 6.894 22.691 7.628) 24.912 13.084 ( -12.739 -1.378 -4.207) 13.486 13.415 ( -6.788 -5.559 -2.201) 9.046 13.696 ( 12.261 -14.274 1.256) 18.859 14.950 ( 1.509 0.008 0.090) 1.512 15.225 ( -0.751 -5.295 -1.837) 5.655 17.909 ( 30.789 5.491 -3.444) 31.464 18.351 ( -12.348 -0.035 -10.041) 15.915 19.120 ( 5.870 5.274 0.162) 7.893 19.215 ( -15.084 2.180 0.008) 15.241 20.429 ( 16.410 -7.650 24.898) 30.785 22.532 ( -23.534 -9.604 -25.422) 35.949 23.752 ( 12.336 -4.362 4.617) 13.875 24.284 ( -3.317 0.582 -6.470) 7.294 ======================= Grid point 315 (167/260) ======================= q-point: (-0.40 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -12.721 1.485 -0.860) 12.836 2.583 ( -10.125 4.329 6.710) 12.895 2.805 ( 1.557 -2.430 -4.412) 5.272 3.053 ( 6.525 -2.504 -0.726) 7.027 3.337 ( 0.199 -3.352 -1.147) 3.548 3.698 ( 3.756 1.792 2.024) 4.628 3.806 ( 8.578 -8.574 -11.314) 16.586 3.914 ( -0.063 -0.788 -2.493) 2.616 5.342 ( -8.263 5.549 8.657) 13.191 5.462 ( -1.813 2.456 8.526) 9.056 5.743 ( -3.481 5.942 5.053) 8.541 5.932 ( 0.732 3.397 2.697) 4.398 7.085 ( -0.448 1.261 7.918) 8.031 7.346 ( -1.333 4.428 11.591) 12.479 7.560 ( -3.172 4.467 -8.185) 9.849 8.114 ( -0.210 2.180 17.088) 17.228 8.736 ( 3.414 -1.399 -7.868) 8.690 9.264 ( -3.615 16.283 1.695) 16.765 9.828 ( -8.822 -1.993 2.284) 9.328 10.614 ( -8.430 8.286 12.960) 17.541 10.971 ( 0.891 2.821 -3.137) 4.312 11.830 ( -14.143 -0.240 -6.898) 15.737 12.444 ( 7.863 25.454 6.293) 27.374 12.846 ( -9.621 2.231 -7.377) 12.327 13.307 ( -3.709 -8.686 1.024) 9.500 13.955 ( 13.794 -16.179 -0.768) 21.275 14.963 ( -0.531 -2.388 0.098) 2.448 15.212 ( 0.190 -2.531 -2.942) 3.886 18.087 ( -8.885 3.066 -11.464) 14.824 18.517 ( 26.917 7.015 -6.056) 28.468 18.717 ( -21.226 -3.534 2.133) 21.624 19.455 ( 16.015 4.758 2.887) 16.955 20.861 ( 20.065 -7.576 27.448) 34.834 21.972 ( -26.669 -9.839 -26.272) 38.707 23.987 ( 9.764 -1.188 2.760) 10.216 24.203 ( -2.571 0.273 -8.243) 8.639 ======================= Grid point 316 (168/260) ======================= q-point: (-0.30 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -7.902 7.534 6.220) 12.566 2.420 ( -8.087 8.659 9.213) 15.009 2.864 ( 4.671 -3.066 1.361) 5.751 3.212 ( 8.023 -7.007 1.599) 10.772 3.347 ( 1.760 4.104 -0.257) 4.473 3.699 ( -3.051 3.099 -7.286) 8.485 3.887 ( 4.357 -0.804 -0.487) 4.458 4.049 ( 10.161 -5.630 -2.868) 11.965 5.133 ( -12.490 4.107 7.158) 14.970 5.414 ( -5.858 1.984 6.432) 8.923 5.657 ( -6.560 2.948 6.318) 9.573 5.944 ( -0.179 3.353 0.833) 3.459 6.891 ( -16.524 -7.307 8.127) 19.811 7.472 ( 7.920 8.506 8.901) 14.639 7.531 ( 1.869 7.236 -6.369) 9.820 8.200 ( 4.829 2.080 16.409) 17.231 8.780 ( 1.993 -0.109 -5.139) 5.513 9.173 ( -5.142 13.485 0.819) 14.455 9.650 ( -10.104 -1.139 5.576) 11.596 10.473 ( -8.908 10.825 16.616) 21.739 10.904 ( -6.250 2.046 -5.924) 8.851 11.526 ( -14.561 -3.010 -5.574) 15.879 12.563 ( 1.161 23.031 -2.598) 23.206 12.699 ( -2.388 10.757 -2.991) 11.418 13.290 ( 1.842 -11.832 2.812) 12.300 14.226 ( 14.002 -17.998 -3.989) 23.150 14.928 ( -3.024 -4.193 0.500) 5.194 15.215 ( 0.725 -0.768 -5.159) 5.266 17.818 ( -17.913 4.099 -5.167) 19.089 18.431 ( -3.357 -11.933 -3.278) 12.823 19.028 ( 23.488 5.080 -5.451) 24.642 19.754 ( 12.585 2.622 1.888) 12.993 21.291 ( 13.871 -3.400 24.700) 28.532 21.402 ( -22.004 -7.236 -20.717) 31.076 24.075 ( -0.261 2.067 -6.185) 6.527 24.225 ( 6.239 0.410 -1.620) 6.459 ======================= Grid point 317 (169/260) ======================= q-point: (-0.20 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -0.263 10.784 15.148) 18.597 2.317 ( -4.538 14.356 11.346) 18.853 2.982 ( 6.017 -4.035 5.821) 9.293 3.255 ( -4.018 -0.651 6.183) 7.403 3.491 ( 10.317 1.804 -0.403) 10.481 3.615 ( -0.898 6.394 -8.732) 10.860 3.973 ( 3.124 -1.181 4.434) 5.551 4.202 ( 4.597 1.955 -1.960) 5.367 4.942 ( -6.929 -0.629 3.255) 7.681 5.267 ( -9.768 1.139 5.959) 11.499 5.527 ( -7.543 -1.830 6.393) 10.056 5.926 ( -1.751 2.000 0.199) 2.666 6.577 ( -15.881 -4.159 8.797) 18.625 7.586 ( 6.119 8.689 -11.764) 15.853 7.649 ( 6.498 10.139 13.514) 18.102 8.357 ( 6.546 1.850 15.529) 16.954 8.750 ( -4.972 -0.263 -0.754) 5.036 9.116 ( -0.182 12.334 2.988) 12.692 9.470 ( -8.220 0.299 3.220) 8.834 10.367 ( -5.103 11.525 17.253) 21.367 10.716 ( -10.991 -0.981 -6.906) 13.017 11.263 ( -10.487 -5.472 -2.735) 12.140 12.506 ( -1.646 15.712 -13.132) 20.544 12.696 ( -0.920 19.154 2.068) 19.288 13.388 ( 6.720 -10.637 3.677) 13.108 14.471 ( 11.724 -20.234 -7.418) 24.533 14.856 ( -4.148 -3.913 0.681) 5.743 15.208 ( 0.006 -0.333 -7.577) 7.584 17.417 ( -20.985 -5.284 5.545) 22.339 18.487 ( 7.491 -14.042 -13.564) 20.911 19.415 ( 16.708 5.058 -5.676) 18.356 19.881 ( -1.058 -3.325 -4.933) 6.042 21.005 ( -7.294 1.904 -7.779) 10.832 21.586 ( 5.883 -1.587 21.197) 22.055 24.071 ( 2.506 3.113 -7.124) 8.168 24.336 ( 4.466 2.877 -0.527) 5.339 ======================= Grid point 318 (170/260) ======================= q-point: (-0.10 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 0.461 8.007 17.907) 19.621 2.316 ( 2.187 21.385 14.545) 25.955 3.085 ( -0.967 -0.475 6.683) 6.769 3.166 ( -1.312 2.858 2.579) 4.067 3.547 ( 0.009 -6.727 3.767) 7.709 3.781 ( 12.882 9.789 -1.833) 16.283 4.020 ( 0.130 2.397 11.325) 11.576 4.199 ( -3.283 9.163 -3.370) 10.301 4.873 ( -2.326 -3.932 -1.742) 4.889 5.110 ( -5.904 0.026 6.144) 8.521 5.412 ( -5.050 -7.001 5.363) 10.163 5.884 ( -2.410 0.056 1.176) 2.682 6.345 ( -9.360 1.981 8.977) 13.119 7.684 ( 5.537 12.648 -11.475) 17.953 7.788 ( 4.508 9.563 11.964) 15.966 8.483 ( 0.654 6.462 14.138) 15.559 8.668 ( 0.688 -2.979 3.910) 4.964 9.098 ( -5.174 9.745 5.520) 12.338 9.433 ( 6.133 3.330 -1.157) 7.074 10.372 ( 2.078 11.169 16.595) 20.111 10.451 ( -14.073 -5.664 -7.216) 16.799 11.119 ( -3.571 -7.829 -0.305) 8.611 12.483 ( 2.596 17.309 -13.882) 22.340 12.646 ( -4.000 15.545 -1.168) 16.094 13.542 ( 7.503 -8.004 3.543) 11.529 14.609 ( 2.188 -21.718 -10.271) 24.123 14.803 ( 0.816 -3.639 0.318) 3.742 15.181 ( -0.681 -0.087 -9.468) 9.493 17.050 ( -18.594 -14.182 13.808) 27.157 18.526 ( -1.359 -11.399 -25.766) 28.207 19.599 ( 0.923 1.873 -1.784) 2.746 19.821 ( 3.441 -1.964 -7.566) 8.540 21.103 ( 14.894 2.483 4.949) 15.890 21.607 ( -7.590 -0.193 13.528) 15.513 24.145 ( 5.836 4.383 -4.217) 8.429 24.390 ( 1.160 4.488 -1.394) 4.841 ======================= Grid point 319 (171/260) ======================= q-point: ( 0.00 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 2.511 4.276 12.777) 13.705 2.762 ( -0.791 11.301 13.585) 17.689 3.067 ( -1.748 0.793 7.269) 7.518 3.187 ( 0.858 1.593 3.411) 3.861 3.369 ( -1.358 -10.329 10.037) 14.467 3.979 ( 0.926 0.184 4.221) 4.325 4.286 ( 1.650 4.878 -7.365) 8.986 4.334 ( 5.420 8.205 9.228) 13.485 4.790 ( -4.130 4.063 -1.968) 6.119 5.000 ( -5.968 -6.814 2.421) 9.376 5.211 ( 3.687 -4.421 2.669) 6.345 5.817 ( -1.311 -1.379 4.179) 4.592 6.335 ( -1.437 2.270 7.755) 8.207 7.868 ( 0.016 2.937 -12.228) 12.576 8.158 ( 3.806 13.901 12.791) 19.270 8.450 ( -1.709 -9.560 16.989) 19.569 8.855 ( 11.207 4.791 0.409) 12.195 9.235 ( -0.399 7.726 7.657) 10.885 9.665 ( 12.060 0.236 -2.341) 12.288 9.975 ( -18.350 -5.502 -5.987) 20.071 10.736 ( 7.882 9.370 12.773) 17.694 10.930 ( 4.218 -9.496 6.877) 12.460 12.771 ( -3.470 6.529 -2.384) 7.768 12.818 ( 1.974 8.087 -6.014) 10.270 13.625 ( 5.302 2.294 -3.127) 6.568 14.143 ( -2.185 -16.129 -14.121) 21.548 14.753 ( 0.906 -2.391 -0.030) 2.557 15.147 ( -0.063 -0.064 -11.313) 11.313 16.527 ( -14.226 -5.165 17.344) 23.019 18.262 ( -4.297 -2.509 -29.472) 29.889 19.562 ( -1.782 -0.391 1.564) 2.403 19.909 ( 3.476 0.068 -8.551) 9.231 21.391 ( -14.006 1.116 7.626) 15.987 21.471 ( 17.721 -1.892 6.628) 19.014 24.319 ( 4.879 1.941 -1.062) 5.358 24.434 ( -2.830 1.080 -1.764) 3.505 ======================= Grid point 320 (172/260) ======================= q-point: ( 0.10 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 2.366 5.373 9.516) 11.181 2.783 ( -0.269 7.968 14.606) 16.640 3.045 ( -0.301 1.167 1.591) 1.996 3.179 ( -2.666 2.138 6.368) 7.227 3.366 ( -2.191 -11.668 9.118) 14.969 3.965 ( -3.235 1.900 -0.118) 3.753 4.231 ( -3.231 2.787 -5.394) 6.878 4.519 ( 6.831 7.407 5.921) 11.687 4.675 ( -5.682 6.228 1.057) 8.497 4.907 ( -2.512 -10.451 5.083) 11.890 5.361 ( 9.664 -1.499 0.742) 9.808 5.845 ( 3.049 -1.645 3.137) 4.673 6.357 ( 1.733 2.644 7.988) 8.590 7.843 ( 0.957 3.281 -12.054) 12.529 8.192 ( -5.664 11.212 16.804) 20.980 8.490 ( 4.420 -7.430 9.993) 13.213 9.010 ( 2.946 8.642 -3.134) 9.653 9.290 ( 2.679 8.639 9.753) 13.301 9.568 ( -15.839 -5.943 -2.959) 17.174 9.956 ( 13.441 -1.235 -2.305) 13.693 11.034 ( 18.194 2.401 10.873) 21.331 11.101 ( 11.706 -4.732 4.679) 13.465 12.665 ( -5.064 10.699 -2.129) 12.027 12.889 ( 4.891 3.464 -4.446) 7.463 13.687 ( 1.730 0.492 -3.994) 4.380 14.015 ( -7.080 -12.628 -14.746) 20.665 14.785 ( 2.168 -3.626 -0.813) 4.302 15.129 ( 0.726 -0.309 -9.967) 9.998 16.390 ( -3.456 -3.318 17.822) 18.455 18.150 ( 0.407 -2.997 -21.299) 21.513 19.507 ( -5.046 -0.390 -0.052) 5.061 19.880 ( -4.323 0.053 -7.317) 8.498 21.084 ( -16.562 1.834 5.722) 17.618 21.888 ( 21.470 -3.839 4.358) 22.242 24.299 ( -8.512 2.698 -3.193) 9.483 24.402 ( 1.810 -0.035 -0.486) 1.875 ======================= Grid point 321 (173/260) ======================= q-point: ( 0.20 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 2.000 6.495 6.809) 9.620 2.821 ( 0.950 7.325 13.528) 15.413 3.064 ( 1.666 -1.455 0.126) 2.215 3.132 ( -3.068 0.443 4.049) 5.099 3.312 ( -5.067 -12.140 7.875) 15.332 3.867 ( -5.490 5.466 -4.468) 8.943 4.091 ( -9.337 0.333 -14.861) 17.554 4.430 ( -10.896 -4.009 -7.474) 13.807 4.740 ( 7.131 9.450 15.671) 19.640 5.007 ( 9.530 -5.069 11.598) 15.844 5.559 ( 9.794 0.685 0.541) 9.833 5.926 ( 3.772 -1.736 2.589) 4.893 6.443 ( 5.314 3.109 7.798) 9.936 7.854 ( 2.017 4.091 -7.565) 8.834 8.049 ( -10.377 6.037 12.143) 17.076 8.561 ( -3.702 -4.551 6.456) 8.723 8.982 ( -4.096 6.114 -4.392) 8.570 9.278 ( -0.452 7.498 1.131) 7.596 9.470 ( 4.318 -1.727 10.500) 11.484 10.217 ( 12.938 -0.356 -0.452) 12.950 11.212 ( 2.727 -4.217 -3.370) 6.048 11.562 ( 25.501 2.044 10.726) 27.741 12.590 ( -1.570 16.544 -1.606) 16.695 12.971 ( 3.839 -4.696 -1.201) 6.183 13.676 ( -2.020 0.283 -3.556) 4.100 13.813 ( -9.590 -9.500 -13.547) 19.124 14.829 ( 2.569 -2.922 -1.273) 4.094 15.128 ( 1.139 -1.274 -7.530) 7.721 16.485 ( 9.642 -0.775 14.178) 17.164 18.204 ( 8.953 -4.546 -13.065) 16.478 19.345 ( -11.244 -0.347 -2.035) 11.432 19.740 ( -7.346 0.075 -3.808) 8.274 20.785 ( -15.438 3.175 5.735) 16.772 22.309 ( 20.376 -5.287 1.195) 21.085 24.054 ( -14.922 1.522 -5.756) 16.066 24.421 ( 0.140 0.324 -0.582) 0.680 ======================= Grid point 322 (174/260) ======================= q-point: ( 0.30 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 0.677 6.526 5.714) 8.700 2.883 ( 2.513 6.645 8.935) 11.415 3.058 ( -5.013 1.559 1.702) 5.519 3.106 ( 1.572 -6.904 -2.944) 7.668 3.231 ( -3.931 -11.928 7.652) 14.706 3.721 ( -9.187 3.730 -11.833) 15.438 3.851 ( -8.427 4.745 -14.072) 17.075 4.187 ( -10.702 -7.295 -9.140) 15.852 4.956 ( 10.335 5.077 16.347) 19.995 5.247 ( 10.726 -1.108 13.017) 16.903 5.733 ( 7.348 2.341 1.071) 7.786 5.982 ( 1.016 -1.323 2.897) 3.343 6.604 ( 9.231 3.789 7.404) 12.425 7.809 ( -8.874 6.424 11.889) 16.167 7.943 ( 0.615 3.079 -4.851) 5.778 8.362 ( -14.680 -7.176 4.186) 16.868 8.848 ( -6.458 3.578 -9.601) 12.112 9.431 ( 10.729 14.060 6.179) 18.734 9.635 ( 9.638 -4.463 10.887) 15.209 10.459 ( 11.645 -0.075 1.244) 11.712 11.147 ( -7.334 -3.106 -8.339) 11.532 12.021 ( 17.213 2.191 9.191) 19.636 12.593 ( 1.651 22.340 -1.974) 22.488 13.038 ( 3.167 -15.165 2.803) 15.744 13.544 ( -11.216 -2.321 -2.702) 11.768 13.639 ( -4.417 -2.598 -9.814) 11.071 14.877 ( 2.471 -1.232 -1.349) 3.073 15.135 ( 1.062 -2.246 -5.231) 5.791 16.831 ( 22.539 1.002 7.378) 23.737 18.419 ( 14.238 -4.596 -7.414) 16.698 19.073 ( -14.724 -0.131 -3.497) 15.135 19.622 ( -3.525 -0.415 0.736) 3.625 20.489 ( -16.292 3.742 7.429) 18.292 22.674 ( 15.901 -5.647 -3.927) 17.325 23.710 ( -17.287 0.428 -5.824) 18.247 24.407 ( -1.247 0.304 -2.111) 2.471 ======================= Grid point 323 (175/260) ======================= q-point: ( 0.40 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -1.310 3.054 3.843) 5.080 2.925 ( -8.288 -2.259 2.036) 8.828 2.939 ( 0.910 7.320 1.325) 7.494 3.105 ( -1.252 -7.556 -1.874) 7.886 3.214 ( 0.496 -5.693 1.844) 6.005 3.472 ( -8.790 -2.614 -19.860) 21.875 3.743 ( -1.711 8.889 -4.285) 10.015 3.999 ( -5.884 -7.539 -8.501) 12.796 5.195 ( 9.854 2.966 14.646) 17.899 5.458 ( 7.062 0.309 12.258) 14.150 5.845 ( 3.660 3.194 1.873) 5.207 5.979 ( -1.825 -0.501 4.140) 4.552 6.828 ( 11.396 4.358 6.736) 13.937 7.655 ( -8.226 5.861 9.638) 13.961 7.930 ( -4.883 5.690 0.223) 7.501 8.104 ( -9.983 -11.411 7.829) 17.064 8.728 ( -2.174 2.871 -15.267) 15.686 9.605 ( 4.521 15.008 11.240) 19.288 9.859 ( 8.728 -4.924 1.103) 10.081 10.683 ( 10.815 0.083 0.875) 10.850 10.948 ( -9.429 -1.486 -1.867) 9.727 12.228 ( 1.509 1.350 2.301) 3.065 12.635 ( 3.412 23.923 1.003) 24.186 13.110 ( 2.201 -21.675 0.224) 21.787 13.331 ( -7.962 0.447 5.500) 9.687 13.520 ( -6.037 -0.900 -8.175) 10.203 14.916 ( 1.623 -0.548 -1.085) 2.028 15.147 ( 1.239 -2.002 -3.945) 4.594 17.375 ( 30.862 2.070 0.481) 30.935 18.582 ( -4.789 -1.883 -7.666) 9.233 18.898 ( 6.534 -0.161 -1.120) 6.632 19.571 ( -5.354 -0.174 0.524) 5.382 20.222 ( -10.107 1.499 15.278) 18.380 22.783 ( -7.143 -4.811 -18.263) 20.192 23.493 ( 0.697 -1.053 3.763) 3.969 24.363 ( -2.457 0.236 -4.409) 5.052 ======================= Grid point 324 (176/260) ======================= q-point: (-0.50 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -4.434 -1.386 1.602) 4.914 2.764 ( -7.654 -1.669 0.318) 7.840 2.896 ( -4.430 4.842 -5.122) 8.324 3.045 ( -3.473 0.028 -4.156) 5.416 3.245 ( 3.230 0.453 -0.850) 3.370 3.394 ( 4.020 -11.143 -8.499) 14.579 3.741 ( 1.826 5.685 -2.108) 6.332 3.919 ( -0.691 -3.978 -7.969) 8.934 5.389 ( 6.204 2.062 12.042) 13.702 5.548 ( -1.388 0.981 10.113) 10.255 5.882 ( -0.522 3.211 2.741) 4.254 5.956 ( -0.815 0.390 5.360) 5.435 7.051 ( 8.159 3.418 7.217) 11.417 7.536 ( -5.793 6.923 5.702) 10.677 7.736 ( -10.204 -0.802 -2.013) 10.431 8.036 ( -3.100 -6.340 19.185) 20.442 8.703 ( 3.441 2.171 -18.162) 18.612 9.660 ( -1.507 14.332 7.640) 16.311 9.894 ( -4.247 -5.663 -5.130) 8.742 10.793 ( -2.539 0.904 4.395) 5.156 10.915 ( 6.948 0.707 6.467) 9.518 12.107 ( -11.950 0.378 -3.352) 12.417 12.744 ( 6.609 20.562 3.164) 21.829 13.034 ( -6.500 -5.884 -1.849) 8.961 13.324 ( -3.323 -3.181 1.556) 4.856 13.408 ( 2.599 -10.450 0.970) 10.812 14.930 ( -0.058 -1.226 -0.588) 1.361 15.168 ( 1.797 -0.757 -4.141) 4.577 18.002 ( 32.147 2.810 -4.350) 32.561 18.341 ( -11.505 -0.572 -9.689) 15.052 19.191 ( 17.165 1.725 1.553) 17.321 19.266 ( -24.327 1.844 -2.043) 24.482 20.305 ( 12.735 -3.583 25.433) 28.668 22.383 ( -23.762 -4.053 -24.176) 34.139 23.692 ( 13.705 -1.477 5.774) 14.945 24.291 ( -3.478 0.114 -7.073) 7.883 ======================= Grid point 325 (177/260) ======================= q-point: (-0.40 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -6.526 0.670 1.658) 6.767 2.654 ( -3.490 1.012 -0.249) 3.643 2.798 ( -2.973 1.436 -1.918) 3.819 3.003 ( -0.034 -1.761 -1.402) 2.251 3.340 ( 6.394 4.497 -0.224) 7.821 3.519 ( 8.504 -11.664 -1.850) 14.553 3.795 ( 4.323 1.663 -3.426) 5.762 3.913 ( 1.510 -0.009 -9.251) 9.373 5.436 ( -8.920 3.058 8.507) 12.699 5.489 ( -1.180 0.115 8.968) 9.046 5.835 ( -5.093 2.504 3.490) 6.663 5.975 ( 0.756 0.887 4.778) 4.918 7.060 ( -10.893 -1.492 8.775) 14.068 7.500 ( 2.291 6.724 0.798) 7.148 7.635 ( 1.528 2.675 -1.951) 3.646 8.038 ( -1.372 -6.111 23.665) 24.480 8.761 ( 5.709 2.175 -15.140) 16.327 9.562 ( -7.732 10.958 -7.126) 15.187 9.765 ( -7.823 -4.390 9.329) 12.942 10.745 ( -4.962 3.594 14.087) 15.361 11.015 ( 1.024 1.313 -0.070) 1.667 11.800 ( -17.387 -1.509 -4.029) 17.911 12.870 ( 2.312 8.742 -1.898) 9.239 12.957 ( 2.451 10.319 1.393) 10.697 13.181 ( -7.167 -0.171 -1.537) 7.332 13.586 ( 10.958 -17.846 2.843) 21.134 14.910 ( -1.869 -1.838 0.129) 2.624 15.195 ( 1.906 0.033 -5.567) 5.884 18.142 ( -4.976 1.732 -11.438) 12.593 18.581 ( 15.511 -0.523 -0.957) 15.549 18.706 ( -18.768 1.861 -5.718) 19.708 19.530 ( 15.493 2.121 2.885) 15.901 20.730 ( 21.987 -3.978 28.702) 36.374 21.833 ( -25.304 -3.387 -24.006) 35.044 23.972 ( 12.823 -0.293 3.954) 13.422 24.201 ( -3.378 -0.213 -9.449) 10.037 ======================= Grid point 326 (178/260) ======================= q-point: (-0.30 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -4.342 3.677 5.849) 8.160 2.620 ( -0.129 9.504 3.958) 10.296 2.806 ( 3.268 -2.729 4.276) 6.034 3.019 ( 1.013 -8.717 3.007) 9.277 3.489 ( 7.960 8.656 0.970) 11.799 3.669 ( 5.544 -6.544 0.330) 8.583 3.888 ( 5.251 0.679 -6.675) 8.520 3.950 ( 6.700 -2.452 -9.287) 11.711 5.217 ( -13.460 2.767 7.456) 15.634 5.438 ( -6.436 0.448 6.733) 9.325 5.697 ( -9.681 1.015 3.962) 10.509 5.980 ( -1.493 0.525 3.244) 3.609 6.785 ( -15.954 -2.602 8.483) 18.255 7.563 ( 5.443 1.714 -8.534) 10.266 7.756 ( 7.451 11.524 8.344) 16.061 8.100 ( 2.313 -9.039 22.243) 24.121 8.832 ( 3.652 2.989 -9.793) 10.871 9.397 ( -5.991 6.982 -7.322) 11.758 9.615 ( -10.518 -2.030 13.545) 17.269 10.657 ( -6.995 5.377 14.293) 16.797 10.946 ( -7.444 1.771 -1.978) 7.903 11.442 ( -17.463 -3.567 -2.356) 17.979 12.826 ( -2.567 9.920 -6.844) 12.322 13.046 ( -2.705 -10.133 -2.613) 10.808 13.137 ( 7.863 20.250 5.314) 22.363 13.818 ( 12.101 -19.048 -2.488) 22.704 14.862 ( -2.986 -1.784 0.764) 3.561 15.211 ( 1.173 0.074 -7.505) 7.596 17.939 ( -26.571 6.877 0.378) 27.450 18.195 ( -2.544 -9.800 -9.150) 13.647 19.114 ( 23.746 2.499 -8.827) 25.456 19.781 ( 8.413 0.312 0.766) 8.454 21.223 ( 19.692 -2.173 27.436) 33.841 21.323 ( -20.061 -1.295 -18.259) 27.157 24.115 ( -0.625 1.501 -9.388) 9.528 24.215 ( 9.059 -0.904 1.269) 9.192 ======================= Grid point 327 (179/260) ======================= q-point: (-0.20 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -1.064 3.554 11.012) 11.621 2.669 ( 3.018 17.956 9.110) 20.360 2.913 ( 5.122 -2.347 8.474) 10.177 3.056 ( 1.915 -14.829 8.743) 17.321 3.550 ( -3.574 2.999 -2.617) 5.349 3.783 ( 7.941 5.430 1.120) 9.685 3.987 ( 6.974 4.075 -4.931) 9.463 4.133 ( 11.371 -7.348 -6.422) 14.985 4.982 ( -10.880 2.550 5.587) 12.494 5.282 ( -10.055 0.290 5.742) 11.582 5.485 ( -12.265 -1.521 3.872) 12.951 5.933 ( -3.827 -0.503 3.750) 5.382 6.532 ( -11.092 -0.724 7.533) 13.428 7.694 ( 9.968 2.345 -12.188) 15.919 7.911 ( 5.506 13.891 13.749) 20.305 8.220 ( 4.636 -11.869 18.861) 22.762 8.832 ( -2.566 4.217 -3.050) 5.802 9.317 ( -1.626 7.126 -0.062) 7.310 9.442 ( -7.495 -2.969 7.188) 10.801 10.552 ( -6.497 4.126 7.223) 10.555 10.744 ( -11.578 3.894 2.475) 12.463 11.132 ( -13.381 -5.792 1.285) 14.637 12.770 ( -0.893 11.616 -8.850) 14.631 12.975 ( -3.792 -2.412 0.740) 4.555 13.327 ( 9.463 10.576 0.632) 14.206 14.028 ( 9.903 -19.267 -7.694) 22.989 14.803 ( -3.029 -1.285 1.027) 3.446 15.205 ( 0.194 -0.071 -9.442) 9.444 17.353 ( -29.714 -1.250 9.106) 31.103 18.279 ( 9.215 -5.462 -19.413) 22.172 19.502 ( 17.465 2.752 -8.381) 19.567 19.814 ( -4.654 -2.347 -5.146) 7.325 21.046 ( -3.791 1.333 -4.118) 5.754 21.561 ( 7.647 -0.700 21.237) 22.582 24.116 ( 3.454 1.164 -8.351) 9.112 24.369 ( 5.893 0.595 0.902) 5.991 ======================= Grid point 328 (180/260) ======================= q-point: (-0.10 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 1.665 3.398 13.622) 14.138 2.739 ( 0.794 18.106 12.056) 21.767 3.021 ( 3.648 -2.099 10.200) 11.034 3.138 ( 2.908 -10.051 10.999) 15.181 3.427 ( -5.962 -1.254 -1.620) 6.304 3.920 ( 4.465 2.099 3.335) 5.955 4.137 ( 8.703 9.026 -1.763) 12.662 4.295 ( 4.918 -2.049 -3.083) 6.156 4.849 ( -3.507 1.678 1.164) 4.058 5.113 ( -7.360 0.136 4.785) 8.780 5.267 ( -9.405 -5.468 3.633) 11.470 5.863 ( -3.887 -1.101 4.911) 6.360 6.386 ( -5.669 1.310 6.902) 9.027 7.846 ( 6.365 3.075 -12.367) 14.244 8.042 ( 4.814 14.151 13.047) 19.841 8.366 ( 6.013 -11.797 15.786) 20.604 8.752 ( -3.031 4.493 5.150) 7.477 9.266 ( -4.022 5.868 7.228) 10.142 9.457 ( 7.956 -0.682 -3.148) 8.584 10.340 ( -15.696 -2.972 -6.511) 17.250 10.633 ( -0.587 10.920 14.310) 18.010 10.940 ( -6.394 -8.684 5.042) 11.905 12.759 ( 1.764 10.627 -8.050) 13.448 12.892 ( -4.675 2.567 -0.619) 5.370 13.499 ( 7.953 5.498 -1.588) 9.798 14.151 ( 4.504 -18.695 -11.744) 22.533 14.758 ( -1.509 -1.079 0.770) 2.009 15.178 ( -0.330 -0.107 -10.944) 10.950 16.858 ( -22.940 -4.543 13.953) 27.232 18.363 ( 2.984 -4.136 -28.919) 29.365 19.632 ( -5.831 1.001 -1.941) 6.226 19.789 ( 9.879 -0.942 -8.610) 13.138 21.141 ( 11.516 1.009 5.666) 12.874 21.604 ( -6.826 -0.108 12.940) 14.630 24.206 ( 6.503 1.518 -4.272) 7.927 24.446 ( 1.789 1.198 -0.232) 2.166 ======================= Grid point 369 (181/260) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -1.670 0.000 18.112) 18.189 1.980 ( -0.033 0.000 13.719) 13.719 2.776 ( 9.744 0.000 -5.623) 11.250 2.945 ( 0.264 0.000 -11.569) 11.572 3.667 ( 3.085 0.000 1.875) 3.610 3.793 ( -2.636 0.000 -1.087) 2.852 4.177 ( 7.729 0.000 26.243) 27.358 4.341 ( 3.061 0.000 13.100) 13.453 4.931 ( -7.411 0.000 -3.513) 8.201 5.037 ( -7.736 0.000 0.046) 7.736 5.688 ( 2.254 0.000 1.817) 2.895 5.784 ( 3.413 0.000 -1.221) 3.625 6.307 ( -10.225 0.000 13.354) 16.819 6.891 ( 5.584 0.000 -16.396) 17.320 7.526 ( 0.273 0.000 17.639) 17.641 8.077 ( -6.326 0.000 -10.092) 11.911 8.304 ( -12.102 0.000 12.358) 17.297 8.818 ( 12.782 0.000 -14.231) 19.129 9.769 ( 14.863 0.000 24.843) 28.950 10.472 ( -8.027 0.000 -9.759) 12.636 10.501 ( 7.113 0.000 -0.834) 7.162 10.599 ( -7.520 0.000 -7.592) 10.686 11.740 ( 0.453 0.000 0.888) 0.997 12.032 ( 8.391 0.000 -12.420) 14.988 14.213 ( 5.619 0.000 8.696) 10.353 14.680 ( -6.329 0.000 -14.198) 15.545 15.175 ( -5.821 0.000 3.692) 6.893 15.293 ( 8.930 0.000 -4.534) 10.015 18.238 ( -46.164 0.000 3.940) 46.332 18.398 ( 26.547 0.000 -3.404) 26.764 19.758 ( 0.509 0.000 1.390) 1.480 19.815 ( -0.869 0.000 -1.351) 1.606 21.488 ( -29.870 0.000 10.374) 31.621 21.845 ( 43.487 0.000 -8.048) 44.225 23.744 ( 6.545 0.000 4.070) 7.707 23.928 ( -5.209 0.000 -5.104) 7.293 ======================= Grid point 370 (182/260) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 8.499 0.000 18.344) 20.217 2.080 ( 7.329 0.000 7.729) 10.651 2.920 ( 0.046 0.000 -15.946) 15.946 2.979 ( 11.747 0.000 -6.334) 13.346 3.647 ( -4.163 0.000 0.115) 4.165 3.706 ( -5.486 0.000 -3.222) 6.362 4.407 ( 8.260 0.000 29.623) 30.753 4.461 ( 4.522 0.000 6.124) 7.613 4.783 ( -6.059 0.000 -7.917) 9.970 4.909 ( -4.774 0.000 8.961) 10.153 5.723 ( 1.076 0.000 -0.646) 1.255 5.834 ( 1.823 0.000 -3.287) 3.759 6.244 ( 0.046 0.000 13.165) 13.165 7.006 ( 9.394 0.000 -12.980) 16.023 7.570 ( -0.620 0.000 20.821) 20.830 7.912 ( -7.257 0.000 -7.860) 10.698 8.147 ( -6.006 0.000 11.525) 12.996 9.121 ( 19.755 0.000 -13.122) 23.716 10.053 ( 6.616 0.000 29.809) 30.534 10.177 ( -13.667 0.000 -20.055) 24.269 10.583 ( 2.790 0.000 -2.298) 3.614 10.744 ( 18.512 0.000 -7.825) 20.098 11.703 ( -3.956 0.000 -3.369) 5.196 12.192 ( 10.824 0.000 -14.514) 18.106 14.355 ( 6.419 0.000 8.757) 10.858 14.522 ( -6.644 0.000 -14.671) 16.106 15.037 ( -8.901 0.000 1.508) 9.027 15.435 ( 6.484 0.000 -3.623) 7.427 17.442 ( -34.698 0.000 16.503) 38.422 18.934 ( 26.763 0.000 2.497) 26.879 19.708 ( -5.431 0.000 2.640) 6.039 19.753 ( -5.156 0.000 -1.666) 5.419 20.845 ( -36.084 0.000 4.977) 36.426 22.573 ( 32.236 0.000 -16.592) 36.255 23.803 ( -5.796 0.000 -5.700) 8.130 23.901 ( 7.929 0.000 3.502) 8.668 ======================= Grid point 371 (183/260) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 14.835 0.000 17.333) 22.814 2.278 ( 10.958 0.000 3.767) 11.587 2.864 ( -1.584 0.000 -19.173) 19.239 3.175 ( 7.472 0.000 -3.756) 8.363 3.546 ( -5.376 0.000 -0.971) 5.463 3.590 ( -2.785 0.000 -10.607) 10.967 4.446 ( -6.802 0.000 0.787) 6.848 4.543 ( -4.519 0.000 16.755) 17.354 4.738 ( 6.466 0.000 2.670) 6.995 4.957 ( 6.049 0.000 15.682) 16.808 5.723 ( -0.795 0.000 -2.073) 2.221 5.840 ( -0.203 0.000 -3.731) 3.737 6.325 ( 4.393 0.000 10.685) 11.553 7.180 ( 9.927 0.000 -8.152) 12.846 7.591 ( -1.956 0.000 20.399) 20.492 7.774 ( -5.108 0.000 -4.913) 7.087 8.131 ( 0.912 0.000 15.578) 15.604 9.492 ( 19.712 0.000 -10.807) 22.480 9.898 ( -8.789 0.000 -24.761) 26.274 10.182 ( 0.528 0.000 29.056) 29.061 10.669 ( 6.576 0.000 -2.057) 6.890 11.113 ( 16.762 0.000 -6.095) 17.835 11.592 ( -4.192 0.000 -5.311) 6.766 12.385 ( 12.625 0.000 -19.903) 23.570 14.346 ( -8.034 0.000 -13.324) 15.559 14.447 ( -2.332 0.000 9.782) 10.056 14.874 ( -5.130 0.000 2.031) 5.518 15.530 ( 3.895 0.000 -3.528) 5.255 17.006 ( -13.429 0.000 18.632) 22.967 19.278 ( -1.047 0.000 -2.961) 3.141 19.610 ( -8.620 0.000 -2.671) 9.025 19.703 ( 9.438 0.000 10.519) 14.133 20.162 ( -30.340 0.000 6.033) 30.934 22.997 ( 14.492 0.000 -23.746) 27.819 23.707 ( -1.561 0.000 -2.918) 3.309 24.055 ( 6.847 0.000 1.508) 7.011 ======================= Grid point 372 (184/260) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 11.962 0.000 1.403) 12.044 2.549 ( 16.809 0.000 15.571) 22.913 2.780 ( -1.958 0.000 -19.406) 19.505 3.147 ( -8.994 0.000 -1.596) 9.134 3.445 ( -4.318 0.000 -1.730) 4.652 3.656 ( 11.706 0.000 -14.874) 18.928 4.257 ( -12.240 0.000 5.468) 13.406 4.399 ( -9.807 0.000 -0.594) 9.825 4.938 ( 9.191 0.000 14.510) 17.176 5.142 ( 8.289 0.000 12.321) 14.849 5.685 ( -2.397 0.000 -2.499) 3.463 5.809 ( -2.174 0.000 -4.091) 4.633 6.452 ( 6.167 0.000 10.879) 12.505 7.314 ( 3.992 0.000 -4.705) 6.170 7.603 ( -0.805 0.000 17.259) 17.278 7.700 ( -1.245 0.000 -1.315) 1.811 8.228 ( 3.940 0.000 21.054) 21.419 9.678 ( -2.590 0.000 -15.203) 15.422 9.868 ( 15.709 0.000 -22.923) 27.789 10.225 ( -2.597 0.000 26.061) 26.191 10.836 ( 10.661 0.000 -0.474) 10.671 11.171 ( -9.215 0.000 2.103) 9.452 11.675 ( 12.302 0.000 -6.382) 13.859 12.581 ( 12.164 0.000 -27.123) 29.726 14.156 ( -7.970 0.000 -9.495) 12.397 14.272 ( -14.605 0.000 11.097) 18.342 14.899 ( 4.370 0.000 5.293) 6.864 15.567 ( 0.686 0.000 -4.360) 4.413 16.982 ( 6.340 0.000 12.545) 14.056 19.011 ( -19.634 0.000 -5.459) 20.379 19.417 ( -9.684 0.000 -3.949) 10.459 19.449 ( -25.742 0.000 -1.393) 25.779 20.273 ( 23.137 0.000 24.455) 33.666 23.025 ( -3.955 0.000 -27.013) 27.301 23.761 ( 6.405 0.000 -0.835) 6.460 24.164 ( 3.939 0.000 -0.833) 4.026 ======================= Grid point 373 (185/260) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 0.065 0.000 -15.539) 15.540 2.741 ( 9.438 0.000 -1.039) 9.495 2.883 ( 12.115 0.000 10.256) 15.873 2.917 ( -11.021 0.000 -2.483) 11.297 3.386 ( -0.599 0.000 1.949) 2.039 3.879 ( 12.122 0.000 -10.790) 16.228 4.011 ( -13.924 0.000 8.462) 16.293 4.172 ( -12.257 0.000 -5.585) 13.470 5.136 ( 7.444 0.000 12.541) 14.584 5.313 ( 6.269 0.000 8.900) 10.886 5.625 ( -2.914 0.000 -2.238) 3.674 5.736 ( -4.119 0.000 -3.332) 5.298 6.622 ( 8.382 0.000 11.743) 14.428 7.300 ( -3.559 0.000 -5.267) 6.356 7.645 ( 1.322 0.000 13.798) 13.861 7.715 ( 1.681 0.000 2.955) 3.400 8.359 ( 3.644 0.000 24.119) 24.393 9.605 ( 0.419 0.000 -23.700) 23.704 10.112 ( 12.735 0.000 -16.405) 20.768 10.186 ( -7.300 0.000 18.325) 19.726 10.949 ( -12.606 0.000 12.792) 17.960 11.067 ( 11.813 0.000 1.665) 11.930 11.858 ( 5.446 0.000 -2.493) 5.990 12.699 ( 5.742 0.000 -33.550) 34.038 14.026 ( -11.792 0.000 10.878) 16.043 14.029 ( -1.985 0.000 -4.545) 4.960 15.002 ( 4.096 0.000 8.237) 9.199 15.537 ( -2.466 0.000 -5.721) 6.230 17.270 ( 19.574 0.000 6.594) 20.655 18.554 ( -24.014 0.000 -8.970) 25.634 19.049 ( -14.149 0.000 3.027) 14.469 19.234 ( -7.336 0.000 -4.855) 8.797 20.793 ( 22.605 0.000 26.925) 35.156 22.792 ( -12.213 0.000 -28.243) 30.771 23.896 ( 6.695 0.000 -0.096) 6.695 24.199 ( -0.153 0.000 -2.861) 2.865 ======================= Grid point 374 (186/260) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -14.990 0.000 -0.710) 15.007 2.721 ( 3.386 0.000 -9.091) 9.701 2.982 ( -3.026 0.000 -1.510) 3.382 3.014 ( 12.074 0.000 -3.446) 12.556 3.454 ( 1.109 0.000 17.136) 17.172 3.804 ( -4.779 0.000 4.886) 6.835 3.842 ( -15.578 0.000 -3.099) 15.883 4.099 ( 7.525 0.000 -9.378) 12.024 5.282 ( 4.789 0.000 9.806) 10.913 5.423 ( 3.060 0.000 7.291) 7.907 5.566 ( -2.526 0.000 -2.238) 3.375 5.647 ( -3.845 0.000 -2.221) 4.440 6.826 ( 9.290 0.000 11.801) 15.018 7.186 ( -5.735 0.000 -7.452) 9.404 7.705 ( 1.446 0.000 9.713) 9.820 7.756 ( 1.631 0.000 4.207) 4.512 8.471 ( 1.812 0.000 24.774) 24.841 9.562 ( 0.323 0.000 -26.955) 26.957 10.005 ( -13.868 0.000 8.380) 16.203 10.299 ( 9.924 0.000 -12.653) 16.081 10.782 ( -8.690 0.000 24.977) 26.445 11.274 ( 7.910 0.000 3.475) 8.640 11.862 ( -4.551 0.000 2.488) 5.186 12.626 ( -4.968 0.000 -33.823) 34.186 13.880 ( -5.271 0.000 8.657) 10.136 14.085 ( 8.319 0.000 -3.860) 9.171 15.100 ( 3.807 0.000 10.234) 10.919 15.451 ( -4.513 0.000 -6.985) 8.316 17.736 ( 25.533 0.000 4.438) 25.916 18.072 ( -21.415 0.000 -11.944) 24.521 18.909 ( -1.421 0.000 5.744) 5.917 19.134 ( -1.005 0.000 -4.688) 4.794 21.268 ( 19.059 0.000 28.479) 34.268 22.430 ( -17.727 0.000 -30.781) 35.521 24.011 ( 4.737 0.000 1.293) 4.910 24.145 ( -4.405 0.000 -4.152) 6.054 ======================= Grid point 375 (187/260) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -14.038 0.000 5.294) 15.003 2.763 ( -5.079 0.000 -1.889) 5.419 2.868 ( -0.006 0.000 -1.050) 1.050 3.228 ( 9.464 0.000 -8.455) 12.691 3.351 ( -11.267 0.000 14.053) 18.012 3.506 ( -15.700 0.000 -2.384) 15.880 3.930 ( 11.189 0.000 6.149) 12.768 4.175 ( 0.745 0.000 0.121) 0.755 5.370 ( 2.112 0.000 7.374) 7.671 5.471 ( 0.064 0.000 5.464) 5.465 5.516 ( -1.851 0.000 -0.869) 2.045 5.586 ( -1.662 0.000 -2.276) 2.819 7.023 ( 7.491 0.000 10.859) 13.192 7.059 ( -4.800 0.000 -10.457) 11.506 7.713 ( -3.286 0.000 4.800) 5.817 7.805 ( 2.793 0.000 2.404) 3.686 8.546 ( 0.369 0.000 24.987) 24.989 9.467 ( -4.017 0.000 -28.161) 28.446 9.719 ( -15.869 0.000 6.989) 17.340 10.445 ( 7.195 0.000 -8.168) 10.885 10.693 ( -7.296 0.000 25.806) 26.818 11.377 ( 1.305 0.000 5.849) 5.993 11.734 ( -8.203 0.000 8.066) 11.505 12.386 ( -10.687 0.000 -31.042) 32.830 13.851 ( 0.207 0.000 6.816) 6.820 14.303 ( 14.075 0.000 -6.080) 15.332 15.196 ( 3.325 0.000 11.072) 11.560 15.333 ( -5.714 0.000 -8.043) 9.866 17.699 ( -12.558 0.000 -14.247) 18.992 18.262 ( 26.380 0.000 5.287) 26.905 18.997 ( 8.181 0.000 6.292) 10.320 19.194 ( 8.311 0.000 -3.140) 8.885 21.665 ( 14.363 0.000 28.888) 32.262 21.952 ( -23.567 0.000 -33.127) 40.655 24.014 ( -7.627 0.000 -4.484) 8.847 24.085 ( 2.342 0.000 1.952) 3.049 ======================= Grid point 376 (188/260) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -9.115 0.000 14.326) 16.980 2.496 ( -17.504 0.000 5.941) 18.484 3.017 ( 10.470 0.000 3.036) 10.901 3.085 ( -15.855 0.000 -9.405) 18.435 3.176 ( -8.219 0.000 5.310) 9.785 3.493 ( 9.589 0.000 -4.242) 10.486 4.138 ( -5.132 0.000 10.655) 11.827 4.146 ( 8.076 0.000 7.840) 11.255 5.375 ( -3.529 0.000 2.998) 4.630 5.423 ( -3.936 0.000 -4.407) 5.909 5.525 ( 0.886 0.000 8.591) 8.637 5.587 ( 2.339 0.000 -0.659) 2.430 6.956 ( -2.788 0.000 -13.738) 14.018 7.138 ( 0.470 0.000 7.242) 7.257 7.579 ( -10.263 0.000 3.951) 10.998 7.886 ( 5.446 0.000 -1.120) 5.560 8.619 ( 1.185 0.000 26.564) 26.591 9.271 ( -9.369 0.000 -26.666) 28.265 9.447 ( -13.145 0.000 9.443) 16.185 10.535 ( 3.199 0.000 -4.108) 5.206 10.590 ( -8.201 0.000 18.193) 19.956 11.351 ( -5.637 0.000 8.079) 9.851 11.630 ( -4.064 0.000 12.773) 13.405 12.109 ( -9.133 0.000 -30.030) 31.388 13.904 ( 3.186 0.000 6.562) 7.295 14.582 ( 15.349 0.000 -6.989) 16.865 15.188 ( -6.987 0.000 -9.515) 11.804 15.270 ( 1.371 0.000 10.565) 10.654 17.540 ( 0.142 0.000 -15.112) 15.113 18.787 ( 25.163 0.000 5.863) 25.837 19.223 ( 12.568 0.000 5.195) 13.600 19.445 ( 17.368 0.000 0.088) 17.368 21.351 ( -29.494 0.000 -32.807) 44.116 21.954 ( 7.880 0.000 27.867) 28.960 23.840 ( -8.548 0.000 -3.768) 9.341 24.111 ( -0.102 0.000 1.300) 1.304 ======================= Grid point 377 (189/260) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -3.683 0.000 21.940) 22.247 2.163 ( -17.491 0.000 11.802) 21.100 2.784 ( -11.133 0.000 -8.748) 14.159 3.051 ( -4.772 0.000 -1.695) 5.064 3.259 ( 12.434 0.000 5.990) 13.801 3.669 ( 9.095 0.000 -6.896) 11.414 4.054 ( -6.212 0.000 20.182) 21.117 4.268 ( 2.371 0.000 9.653) 9.940 5.258 ( -7.969 0.000 0.481) 7.984 5.318 ( -5.476 0.000 -5.015) 7.426 5.572 ( 1.920 0.000 7.842) 8.074 5.652 ( 3.607 0.000 0.574) 3.652 6.887 ( -0.667 0.000 -16.401) 16.414 6.971 ( -18.142 0.000 2.171) 18.272 7.461 ( -2.154 0.000 12.043) 12.234 8.012 ( 7.766 0.000 -5.115) 9.299 8.673 ( -4.108 0.000 25.210) 25.543 8.996 ( -11.881 0.000 -22.748) 25.664 9.291 ( -2.915 0.000 12.151) 12.496 10.480 ( -5.668 0.000 11.163) 12.520 10.554 ( -0.319 0.000 -1.560) 1.593 11.185 ( -12.394 0.000 2.508) 12.645 11.633 ( 0.930 0.000 12.260) 12.295 11.935 ( -1.511 0.000 -24.364) 24.411 13.994 ( 4.127 0.000 7.294) 8.381 14.860 ( 14.059 0.000 -5.811) 15.213 15.019 ( -7.504 0.000 -12.078) 14.220 15.292 ( -1.454 0.000 8.889) 9.007 17.632 ( 12.209 0.000 -13.721) 18.366 19.205 ( 13.143 0.000 0.656) 13.160 19.480 ( 11.769 0.000 3.461) 12.268 19.846 ( 18.029 0.000 2.131) 18.155 20.724 ( -19.813 0.000 -22.939) 30.311 22.074 ( -2.662 0.000 24.367) 24.511 23.689 ( -5.331 0.000 -1.591) 5.564 24.089 ( -2.174 0.000 -0.502) 2.231 ======================= Grid point 378 (190/260) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -11.781 0.000 15.877) 19.770 1.994 ( -3.986 0.000 20.771) 21.150 2.664 ( 1.477 0.000 -6.921) 7.077 2.978 ( -1.770 0.000 -6.817) 7.043 3.511 ( 10.946 0.000 5.144) 12.094 3.795 ( 4.251 0.000 -6.945) 8.143 4.029 ( -0.334 0.000 27.090) 27.092 4.300 ( -0.818 0.000 12.261) 12.289 5.091 ( -8.483 0.000 -0.462) 8.496 5.187 ( -6.828 0.000 -3.727) 7.779 5.632 ( 2.497 0.000 4.982) 5.573 5.720 ( 3.175 0.000 0.361) 3.196 6.583 ( -19.585 0.000 8.207) 21.235 6.859 ( 1.887 0.000 -17.513) 17.614 7.484 ( 0.258 0.000 14.619) 14.622 8.131 ( 4.147 0.000 -8.741) 9.675 8.533 ( -13.368 0.000 17.128) 21.728 8.763 ( -4.410 0.000 -17.794) 18.332 9.433 ( 12.075 0.000 19.102) 22.599 10.437 ( -0.527 0.000 6.113) 6.136 10.532 ( -1.266 0.000 -1.213) 1.754 10.896 ( -15.563 0.000 -8.239) 17.610 11.696 ( 2.521 0.000 7.033) 7.471 11.930 ( 4.904 0.000 -15.584) 16.337 14.096 ( 4.469 0.000 8.189) 9.329 14.843 ( -7.153 0.000 -12.469) 14.375 15.102 ( 11.739 0.000 -6.094) 13.227 15.257 ( -3.789 0.000 6.496) 7.520 17.938 ( 21.170 0.000 -9.710) 23.291 19.074 ( -30.749 0.000 -7.167) 31.574 19.677 ( 7.173 0.000 2.000) 7.447 19.839 ( -4.341 0.000 -3.793) 5.764 20.993 ( 40.043 0.000 -1.648) 40.077 21.929 ( -17.375 0.000 17.633) 24.755 23.651 ( 1.577 0.000 1.997) 2.545 24.026 ( -3.797 0.000 -2.918) 4.789 ======================= Grid point 379 (191/260) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 0.224 11.989 16.056) 20.039 2.097 ( -1.800 10.774 13.311) 17.219 2.797 ( 6.338 2.647 -3.507) 7.712 3.042 ( 2.605 7.820 -12.069) 14.615 3.625 ( 3.002 -3.315 2.613) 5.180 3.779 ( -4.187 -0.303 -2.100) 4.694 4.193 ( 9.295 1.528 24.188) 25.957 4.384 ( 3.254 2.760 15.549) 16.124 4.892 ( -8.155 -3.676 -4.305) 9.927 5.039 ( -6.816 0.191 -1.430) 6.966 5.665 ( 0.827 -2.121 2.314) 3.246 5.788 ( 3.648 0.195 -3.264) 4.899 6.339 ( -9.061 3.195 15.161) 17.949 6.966 ( 5.217 7.075 -16.522) 18.715 7.653 ( 1.157 11.417 17.209) 20.685 8.130 ( -6.050 5.824 -4.438) 9.498 8.439 ( -11.866 11.726 6.970) 18.080 8.834 ( 11.967 1.403 -11.545) 16.687 9.743 ( 13.232 -2.020 20.864) 24.789 10.321 ( -4.894 -6.481 -6.450) 10.371 10.574 ( 3.091 0.409 0.515) 3.160 10.798 ( -3.911 16.018 -11.440) 20.069 11.759 ( 0.866 2.918 2.300) 3.815 12.087 ( 6.680 5.052 -12.268) 14.854 14.166 ( 5.358 -4.561 9.336) 11.691 14.657 ( -6.707 -2.626 -14.444) 16.140 15.124 ( -5.080 -4.621 2.418) 7.281 15.240 ( 8.294 -5.049 -3.905) 10.465 17.995 ( -25.053 -19.701 10.493) 33.555 18.358 ( 6.860 -6.093 -9.100) 12.923 19.724 ( -1.250 -2.791 1.922) 3.612 19.812 ( 1.532 -0.390 -2.531) 2.984 21.482 ( -27.547 -0.379 9.194) 29.043 21.773 ( 38.694 -5.705 -5.718) 39.529 23.874 ( 6.800 10.624 1.637) 12.720 23.996 ( -5.111 6.225 -4.059) 9.019 ======================= Grid point 380 (192/260) ======================= q-point: ( 0.10 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 4.098 9.072 15.476) 18.401 2.202 ( 9.141 10.953 9.279) 17.019 2.897 ( 3.648 0.857 -7.927) 8.768 3.095 ( 6.349 7.284 -12.631) 15.903 3.617 ( -3.493 -3.457 0.982) 5.011 3.660 ( -6.834 -2.048 -2.508) 7.562 4.441 ( 8.077 3.048 28.683) 29.954 4.521 ( 5.238 4.587 4.762) 8.435 4.730 ( -4.139 -5.896 -2.190) 7.529 4.902 ( -7.174 0.162 1.782) 7.394 5.680 ( 0.453 -3.125 0.240) 3.167 5.853 ( 3.397 0.850 -4.430) 5.647 6.286 ( -0.563 3.991 14.675) 15.219 7.067 ( 8.391 5.753 -13.269) 16.720 7.703 ( -0.901 11.476 18.502) 21.791 7.998 ( -5.639 9.019 -3.636) 11.241 8.271 ( -5.944 11.018 8.408) 15.080 9.119 ( 18.201 -0.135 -10.218) 20.873 9.924 ( -3.810 -7.392 9.853) 12.894 10.175 ( -1.212 -5.046 -2.418) 5.725 10.708 ( 5.602 13.461 -2.468) 14.787 10.864 ( 15.287 8.839 -8.657) 19.666 11.715 ( -5.092 1.600 -2.691) 5.978 12.238 ( 11.260 4.683 -13.267) 18.020 14.288 ( 4.043 -6.196 8.270) 11.096 14.495 ( -6.290 -3.278 -12.911) 14.731 14.997 ( -7.559 -3.249 0.595) 8.249 15.381 ( 6.565 -5.224 -3.518) 9.098 17.355 ( -30.709 -8.009 17.261) 36.126 18.773 ( 24.661 -15.075 1.180) 28.928 19.617 ( -9.109 -4.634 0.134) 10.221 19.799 ( -2.929 1.298 -0.913) 3.332 20.894 ( -31.987 4.350 4.713) 32.624 22.452 ( 30.884 -10.142 -12.582) 34.856 23.867 ( -6.704 5.878 -4.751) 10.103 24.017 ( 6.974 9.331 0.899) 11.684 ======================= Grid point 381 (193/260) ======================= q-point: ( 0.20 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 9.422 2.529 12.378) 15.761 2.450 ( 13.000 11.833 8.799) 19.659 2.887 ( -1.363 2.580 -15.121) 15.400 3.212 ( 5.227 2.842 -7.117) 9.276 3.517 ( -3.673 -5.958 -7.285) 10.102 3.539 ( -4.578 -0.496 -1.465) 4.832 4.401 ( -10.763 -3.518 -2.782) 11.660 4.612 ( -2.493 4.901 16.888) 17.761 4.790 ( 2.898 2.938 3.548) 5.443 4.895 ( 10.772 -3.875 13.620) 17.792 5.682 ( -0.236 -2.214 -0.841) 2.380 5.888 ( 1.085 2.841 -4.437) 5.379 6.354 ( 3.675 2.909 12.311) 13.173 7.222 ( 9.308 4.160 -8.301) 13.147 7.679 ( -5.016 7.164 12.947) 15.624 7.913 ( -2.767 13.760 1.763) 14.146 8.258 ( 1.604 11.532 13.607) 17.908 9.468 ( 18.693 -2.756 -8.603) 20.761 9.711 ( -11.589 -11.649 -10.978) 19.761 10.275 ( 5.331 1.824 14.718) 15.760 10.802 ( 6.408 14.742 -7.060) 17.557 11.203 ( 14.255 7.195 -2.668) 16.189 11.592 ( -3.072 0.240 -5.664) 6.448 12.445 ( 12.937 6.008 -17.785) 22.799 14.264 ( -6.859 -7.432 -9.032) 13.559 14.387 ( -5.716 -6.149 7.032) 10.952 14.876 ( -2.854 0.387 1.029) 3.058 15.477 ( 3.876 -5.132 -3.498) 7.321 16.975 ( -11.547 -2.761 18.464) 21.951 19.180 ( 11.411 -15.934 1.283) 19.640 19.375 ( -14.915 -7.959 -2.099) 17.036 19.739 ( -1.232 0.196 3.520) 3.735 20.328 ( -23.396 11.823 5.897) 26.869 22.894 ( 16.841 -9.256 -19.739) 27.549 23.734 ( -4.863 3.013 -2.199) 6.129 24.139 ( 5.181 6.632 -0.688) 8.443 ======================= Grid point 382 (194/260) ======================= q-point: ( 0.30 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 12.262 -1.875 8.471) 15.021 2.731 ( 12.485 8.970 7.946) 17.306 2.806 ( -1.788 3.667 -15.782) 16.301 3.146 ( -9.234 0.244 -3.683) 9.944 3.431 ( -4.685 -1.756 -2.324) 5.517 3.596 ( 11.140 -5.170 -12.285) 17.371 4.164 ( -12.523 -6.638 -0.279) 14.176 4.451 ( -12.130 1.732 2.793) 12.568 4.962 ( 8.813 1.860 15.341) 17.790 5.153 ( 11.368 2.061 9.902) 15.216 5.665 ( -1.345 -0.393 -1.272) 1.892 5.872 ( -1.771 4.365 -3.967) 6.158 6.477 ( 6.066 2.433 11.774) 13.466 7.359 ( 4.960 4.297 -4.970) 8.232 7.607 ( -3.709 2.673 10.452) 11.408 7.882 ( -1.367 14.572 4.296) 15.254 8.363 ( 4.401 12.306 18.569) 22.707 9.487 ( -6.702 -16.390 -16.302) 24.068 9.799 ( 15.017 -1.658 -3.862) 15.594 10.397 ( 3.532 7.780 10.479) 13.521 10.944 ( 9.729 12.089 -6.144) 16.689 11.192 ( -10.796 2.266 4.467) 11.901 11.737 ( 13.904 5.306 -5.680) 15.929 12.644 ( 11.557 6.290 -24.652) 27.944 14.085 ( -7.826 -6.802 -8.875) 13.649 14.202 ( -13.705 -6.514 11.268) 18.901 14.907 ( 3.679 0.642 4.531) 5.872 15.514 ( 0.714 -5.077 -4.228) 6.646 16.976 ( 7.225 -0.359 12.770) 14.677 18.999 ( -20.312 -1.751 -5.707) 21.171 19.172 ( -9.027 -13.292 -1.862) 16.175 19.614 ( -15.231 6.048 -1.555) 16.461 20.286 ( 15.793 1.827 21.181) 26.483 22.984 ( -2.070 -4.271 -26.339) 26.764 23.722 ( 4.051 -2.711 1.945) 5.248 24.210 ( 2.295 3.615 -2.286) 4.854 ======================= Grid point 383 (195/260) ======================= q-point: ( 0.40 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 10.173 -3.582 2.242) 11.016 2.726 ( -0.425 0.950 -12.255) 12.299 2.891 ( -8.903 -0.450 -0.594) 8.934 3.027 ( 7.804 8.929 2.257) 12.072 3.347 ( -2.752 -3.732 1.630) 4.915 3.810 ( 11.336 -7.366 -9.812) 16.704 3.923 ( -10.838 -5.932 2.178) 12.546 4.191 ( -14.414 0.063 -0.653) 14.429 5.160 ( 7.539 2.486 12.708) 14.984 5.367 ( 7.933 4.746 7.910) 12.167 5.626 ( -2.178 1.246 -1.204) 2.784 5.803 ( -4.163 5.088 -3.034) 7.240 6.649 ( 8.603 2.635 12.057) 15.044 7.353 ( -3.722 4.968 -5.793) 8.491 7.618 ( 1.555 0.350 12.145) 12.249 7.874 ( -0.534 12.187 4.520) 13.009 8.488 ( 3.243 11.574 19.912) 23.259 9.372 ( -1.339 -17.872 -17.246) 24.872 10.025 ( 7.416 -1.597 1.477) 7.728 10.439 ( -0.067 11.750 -5.009) 12.774 10.972 ( -10.645 2.103 13.609) 17.405 11.162 ( 11.352 10.696 -0.139) 15.597 11.930 ( 5.288 6.182 -1.868) 8.347 12.747 ( 4.287 4.843 -30.937) 31.606 13.966 ( -3.159 -5.914 -1.751) 6.930 13.970 ( -9.734 -5.439 8.324) 13.915 14.996 ( 3.633 -0.558 7.562) 8.408 15.487 ( -2.206 -4.707 -5.361) 7.468 17.279 ( 20.204 1.047 6.967) 21.397 18.550 ( -22.939 -0.389 -8.652) 24.520 19.001 ( -6.315 -3.385 0.929) 7.225 19.309 ( -13.106 5.931 -3.192) 14.735 20.743 ( 21.957 -4.418 26.065) 34.366 22.756 ( -13.161 -3.579 -28.360) 31.469 23.851 ( 7.126 -3.985 2.163) 8.447 24.215 ( -1.141 1.312 -3.713) 4.100 ======================= Grid point 384 (196/260) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -13.755 0.131 -0.836) 13.781 2.715 ( 2.691 -0.670 -8.565) 9.002 2.922 ( 4.599 -2.354 1.509) 5.382 3.095 ( 1.383 3.525 -6.966) 7.929 3.372 ( -0.316 -6.082 15.335) 16.500 3.754 ( -1.384 -4.351 1.338) 4.758 3.883 ( -15.728 1.927 -1.826) 15.951 4.031 ( 9.473 -6.007 -6.472) 12.951 5.305 ( 4.351 2.877 10.160) 11.420 5.482 ( 1.293 4.316 5.618) 7.201 5.584 ( -1.229 2.956 0.435) 3.231 5.716 ( -3.336 5.479 -2.685) 6.954 6.861 ( 9.796 3.291 11.874) 15.741 7.235 ( -5.886 4.479 -7.752) 10.715 7.680 ( 1.345 -0.390 11.262) 11.348 7.880 ( 0.099 9.592 3.661) 10.267 8.569 ( 0.486 8.795 18.659) 20.634 9.330 ( 0.214 -16.634 -16.367) 23.337 10.042 ( -7.282 1.155 4.951) 8.881 10.429 ( 3.626 9.235 -15.792) 18.650 10.842 ( -7.437 5.540 24.198) 25.914 11.374 ( 8.912 9.821 1.287) 13.324 11.931 ( -4.581 6.386 3.469) 8.590 12.652 ( -6.145 2.713 -30.826) 31.549 13.823 ( -5.458 -5.332 8.516) 11.434 14.035 ( 8.844 -4.740 -3.960) 10.787 15.084 ( 3.410 -1.449 9.404) 10.107 15.410 ( -4.085 -3.920 -6.376) 8.527 17.756 ( 25.773 1.966 4.355) 26.212 18.090 ( -20.493 1.566 -11.754) 23.676 18.941 ( -1.697 3.033 4.921) 6.025 19.140 ( -1.343 0.591 -4.147) 4.399 21.220 ( 19.699 -4.534 28.210) 34.705 22.367 ( -19.317 -5.890 -30.396) 36.494 23.985 ( 5.747 -2.360 2.354) 6.644 24.149 ( -4.482 0.282 -4.873) 6.627 ======================= Grid point 385 (197/260) ======================= q-point: (-0.40 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -12.894 1.974 4.989) 13.965 2.749 ( -5.546 -1.282 -0.098) 5.693 2.852 ( -0.248 -1.670 -0.371) 1.728 3.218 ( 6.437 -1.713 -3.385) 7.472 3.305 ( -5.092 -2.182 5.527) 7.825 3.564 ( -14.844 3.923 -1.783) 15.457 3.877 ( 9.598 -4.739 2.586) 11.012 4.166 ( 4.423 -1.562 2.085) 5.133 5.366 ( -0.703 -0.713 7.465) 7.532 5.453 ( -3.007 1.332 2.301) 4.014 5.575 ( -1.234 5.435 2.108) 5.959 5.684 ( 0.409 6.617 -1.167) 6.732 7.067 ( 7.740 4.008 10.632) 13.748 7.106 ( -4.681 4.286 -10.881) 12.597 7.692 ( -3.509 -1.504 8.615) 9.423 7.901 ( 1.883 8.279 1.758) 8.671 8.606 ( -0.286 5.428 17.881) 18.689 9.276 ( -2.739 -12.619 -13.966) 19.020 9.825 ( -13.502 5.933 1.288) 14.804 10.493 ( 3.961 3.961 -6.917) 8.900 10.755 ( -7.056 5.578 20.076) 21.999 11.479 ( 0.616 8.167 1.487) 8.324 11.823 ( -6.313 9.438 10.922) 15.756 12.406 ( -10.871 2.151 -27.991) 30.105 13.790 ( 0.019 -5.877 6.703) 8.914 14.257 ( 14.041 -4.374 -6.299) 15.998 15.170 ( 2.715 -2.545 9.921) 10.596 15.303 ( -5.048 -2.807 -7.136) 9.181 17.718 ( -12.910 1.823 -14.159) 19.248 18.286 ( 25.904 2.258 4.242) 26.346 18.945 ( 2.467 -4.028 4.108) 6.260 19.258 ( 12.316 5.209 -0.670) 13.389 21.630 ( 14.264 -3.340 27.864) 31.481 21.865 ( -23.757 -7.895 -30.933) 39.795 24.021 ( -6.632 0.288 -5.122) 8.385 24.084 ( 3.272 0.074 1.918) 3.794 ======================= Grid point 386 (198/260) ======================= q-point: (-0.30 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -8.314 3.781 13.797) 16.546 2.501 ( -15.115 0.787 7.620) 16.946 2.998 ( 10.316 -1.712 2.958) 10.868 3.142 ( -9.309 3.480 -5.361) 11.292 3.183 ( -10.214 2.039 -0.388) 10.422 3.503 ( 8.359 0.817 -3.843) 9.236 4.037 ( 4.316 -5.701 3.304) 7.877 4.227 ( 1.112 3.388 12.690) 13.182 5.315 ( -4.554 -7.557 0.608) 8.844 5.399 ( -3.961 2.211 2.940) 5.406 5.560 ( 0.114 5.197 1.285) 5.355 5.698 ( 0.576 6.292 1.798) 6.569 7.007 ( -2.377 4.687 -14.011) 14.964 7.165 ( -2.129 1.773 6.043) 6.648 7.580 ( -7.633 0.616 8.901) 11.742 7.974 ( 5.250 8.158 0.316) 9.707 8.670 ( 2.619 4.767 19.481) 20.226 9.150 ( -6.820 -8.098 -11.753) 15.818 9.554 ( -13.910 7.458 0.551) 15.793 10.501 ( -4.179 0.565 8.976) 9.917 10.675 ( -2.922 4.049 3.028) 5.839 11.414 ( -6.424 3.868 4.015) 8.506 11.755 ( -4.742 13.276 13.457) 19.489 12.146 ( -7.720 3.864 -26.154) 27.542 13.841 ( 3.278 -6.106 6.502) 9.502 14.532 ( 15.084 -4.843 -7.526) 17.539 15.159 ( -6.189 -2.879 -6.443) 9.387 15.244 ( 0.732 -2.322 7.449) 7.837 17.538 ( -1.669 0.014 -14.695) 14.789 18.788 ( 24.098 -0.533 5.043) 24.626 19.073 ( 8.681 -10.184 2.711) 13.654 19.565 ( 17.788 7.724 1.527) 19.452 21.251 ( -28.625 -8.248 -29.687) 42.057 21.942 ( 8.353 -1.456 27.027) 28.325 23.871 ( -6.725 2.288 -5.149) 8.773 24.131 ( 1.001 2.015 1.400) 2.650 ======================= Grid point 387 (199/260) ======================= q-point: (-0.20 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -6.005 4.100 18.720) 20.082 2.263 ( -10.231 7.839 14.782) 19.611 2.875 ( -11.415 8.161 -8.225) 16.265 3.077 ( -2.954 2.512 -2.983) 4.893 3.237 ( 12.184 -1.955 5.636) 13.566 3.672 ( 9.011 0.044 -6.068) 10.864 4.049 ( -3.601 -0.544 13.003) 13.503 4.289 ( 1.212 1.806 14.744) 14.903 5.203 ( -6.743 -6.430 -1.529) 9.442 5.302 ( -5.785 0.047 -1.363) 5.944 5.588 ( 1.827 2.706 3.672) 4.914 5.712 ( 0.599 3.907 1.415) 4.198 6.942 ( -11.221 1.091 -1.697) 11.401 6.955 ( -7.440 2.334 -10.351) 12.960 7.539 ( 0.130 7.250 13.331) 15.175 8.097 ( 6.932 7.971 -2.174) 10.785 8.736 ( -3.461 5.420 15.349) 16.642 8.992 ( -5.902 -0.852 -8.972) 10.773 9.324 ( -6.869 3.826 5.421) 9.551 10.410 ( -5.949 -0.494 12.757) 14.085 10.638 ( -1.481 1.347 -4.637) 5.051 11.260 ( -10.808 5.355 2.609) 12.341 11.683 ( -3.008 6.816 5.140) 9.051 12.026 ( -0.021 8.565 -16.338) 18.447 13.935 ( 4.494 -5.698 7.344) 10.324 14.802 ( 13.933 -5.724 -8.117) 17.111 15.001 ( -7.520 -1.562 -9.072) 11.887 15.257 ( -1.528 -3.247 7.404) 8.228 17.584 ( 9.223 -4.224 -12.299) 15.943 19.203 ( 2.574 -7.581 -1.933) 8.236 19.258 ( 19.960 -10.988 4.140) 23.158 19.882 ( 8.546 0.983 -1.330) 8.704 20.720 ( -10.727 0.730 -16.794) 19.941 22.062 ( -2.866 -1.290 22.995) 23.209 23.761 ( -2.735 5.792 -3.193) 7.157 24.130 ( -1.217 3.936 -0.134) 4.122 ======================= Grid point 388 (200/260) ======================= q-point: (-0.10 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -5.683 7.205 15.975) 18.423 2.161 ( -6.406 12.520 19.138) 23.750 2.731 ( -0.474 6.150 -5.860) 8.508 3.037 ( 0.112 5.441 -7.751) 9.470 3.479 ( 10.330 -2.570 4.755) 11.658 3.802 ( 4.301 0.787 -7.761) 8.908 4.031 ( -0.103 0.545 23.960) 23.966 4.328 ( -0.318 1.844 15.693) 15.805 5.052 ( -7.789 -3.952 -1.612) 8.882 5.176 ( -6.395 -0.648 -3.425) 7.283 5.634 ( 1.582 0.119 4.263) 4.548 5.736 ( 2.043 1.290 -1.318) 2.752 6.581 ( -18.069 0.078 10.853) 21.078 6.933 ( 2.333 6.961 -17.609) 19.078 7.591 ( 1.329 9.784 14.797) 17.789 8.196 ( 2.022 6.284 -4.017) 7.728 8.622 ( -7.470 7.110 7.379) 12.681 8.811 ( -8.072 4.963 -9.822) 13.647 9.428 ( 12.083 -0.369 16.360) 20.342 10.356 ( -1.950 -1.225 7.813) 8.145 10.592 ( -1.796 -2.039 -5.183) 5.852 11.007 ( -13.080 10.531 -6.601) 18.043 11.700 ( 2.851 2.528 4.306) 5.750 12.027 ( 2.817 8.391 -11.874) 14.810 14.046 ( 4.838 -4.912 8.480) 10.929 14.825 ( -7.125 -2.147 -13.714) 15.603 15.040 ( 11.086 -5.645 -4.416) 13.201 15.219 ( -3.592 -3.549 5.081) 7.163 17.826 ( 16.825 -10.341 -6.579) 20.816 18.909 ( -31.095 -16.159 -8.335) 36.021 19.603 ( 12.547 -4.224 1.199) 13.294 19.828 ( -3.614 -1.477 -2.835) 4.825 21.019 ( 34.211 2.445 -0.924) 34.311 21.911 ( -17.059 -1.614 15.790) 23.301 23.765 ( 3.385 9.370 0.086) 9.963 24.084 ( -3.170 5.450 -2.147) 6.660 ======================= Grid point 389 (201/260) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 1.434 15.975 13.542) 20.991 2.381 ( -2.491 15.653 12.679) 20.297 2.882 ( 3.108 5.123 -0.862) 6.053 3.190 ( 2.201 4.588 -10.563) 11.725 3.584 ( 2.248 0.718 2.808) 3.668 3.817 ( -5.057 4.275 -6.301) 9.140 4.217 ( 11.645 -0.287 19.748) 22.928 4.425 ( 2.644 2.008 21.951) 22.201 4.789 ( -8.179 -5.959 -6.906) 12.252 5.050 ( -5.337 0.890 -3.775) 6.597 5.596 ( -0.929 -4.806 3.236) 5.868 5.783 ( 3.281 -0.801 -6.527) 7.349 6.437 ( -6.749 5.989 18.681) 20.746 7.163 ( 4.375 11.299 -17.448) 21.243 7.933 ( 1.757 13.922 16.445) 21.618 8.334 ( -2.752 13.808 0.147) 14.081 8.717 ( -12.841 12.825 2.820) 18.366 8.874 ( 11.357 3.434 -4.651) 12.744 9.705 ( 12.065 -1.482 12.393) 17.359 10.162 ( -11.828 -9.177 -10.001) 18.004 10.644 ( 11.199 6.464 9.813) 16.232 11.061 ( -1.615 7.118 -11.023) 13.220 11.934 ( -0.481 15.443 0.900) 15.477 12.234 ( 4.008 9.256 -10.713) 14.714 14.022 ( 4.960 -9.391 10.309) 14.801 14.548 ( -7.729 -8.707 -14.760) 18.799 15.003 ( -1.132 -6.919 -0.594) 7.036 15.105 ( 4.790 -6.940 -2.777) 8.878 17.533 ( -16.156 -22.963 17.288) 32.973 18.155 ( 1.262 -12.341 -16.314) 20.495 19.664 ( -2.184 -2.680 2.525) 4.281 19.798 ( 3.340 -0.885 -4.432) 5.620 21.479 ( -22.414 0.189 6.948) 23.467 21.658 ( 29.034 -4.818 -2.197) 29.513 24.090 ( 5.948 9.002 -0.029) 10.789 24.161 ( -4.130 8.998 -3.090) 10.371 ======================= Grid point 390 (202/260) ======================= q-point: ( 0.10 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -0.926 13.563 12.077) 18.184 2.481 ( 8.436 15.080 10.932) 20.447 2.957 ( 3.665 4.069 -1.856) 5.782 3.204 ( 2.422 2.084 -12.833) 13.225 3.556 ( -5.091 -0.389 0.865) 5.178 3.671 ( -7.454 3.032 -3.235) 8.673 4.516 ( 9.280 2.868 20.556) 22.735 4.529 ( -2.123 -10.209 10.645) 14.901 4.617 ( 0.702 2.511 -0.481) 2.652 4.931 ( -5.487 2.587 -4.480) 7.541 5.608 ( 1.448 -4.157 1.625) 4.692 5.853 ( 4.871 -0.905 -5.877) 7.687 6.401 ( -1.562 6.881 17.646) 19.005 7.228 ( 6.312 9.269 -15.004) 18.732 7.959 ( -3.618 12.185 13.342) 18.427 8.306 ( -0.377 19.881 2.504) 20.042 8.541 ( -4.972 13.323 4.539) 14.927 9.122 ( 14.022 0.898 -3.391) 14.454 9.771 ( -11.790 -7.978 -2.538) 14.460 10.052 ( 7.529 -4.907 3.882) 9.789 10.981 ( 20.011 9.770 7.210) 23.407 11.062 ( 4.691 9.004 -16.153) 19.079 11.824 ( -9.036 11.008 -3.232) 14.604 12.392 ( 12.615 10.189 -9.498) 18.793 14.112 ( 1.013 -10.619 8.864) 13.870 14.359 ( -8.116 -10.279 -11.238) 17.257 14.931 ( -3.661 -2.866 -2.079) 5.093 15.226 ( 6.409 -9.273 -2.998) 11.664 17.144 ( -20.966 -11.446 19.236) 30.670 18.381 ( 17.956 -20.717 -4.666) 27.809 19.550 ( -8.985 -2.009 -0.164) 9.208 19.802 ( -2.449 -0.711 -2.572) 3.622 21.001 ( -25.024 5.495 4.138) 25.952 22.224 ( 27.219 -10.837 -6.519) 30.014 24.014 ( -8.330 7.533 -3.558) 11.781 24.212 ( 4.660 8.497 -1.035) 9.746 ======================= Grid point 391 (203/260) ======================= q-point: ( 0.20 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 3.813 9.336 10.384) 14.475 2.693 ( 9.392 10.948 11.257) 18.297 2.977 ( -0.819 5.539 -7.790) 9.594 3.249 ( 4.732 -0.961 -11.248) 12.241 3.408 ( -8.078 -1.597 -4.603) 9.434 3.545 ( -4.879 0.942 -1.657) 5.239 4.280 ( -14.031 -9.094 -5.325) 17.547 4.625 ( -8.263 -6.948 8.122) 13.510 4.797 ( 9.378 4.935 17.045) 20.071 4.964 ( 12.088 7.041 3.270) 14.367 5.649 ( 2.039 -1.423 1.074) 2.708 5.927 ( 3.463 0.785 -4.977) 6.113 6.446 ( 2.152 5.874 15.115) 16.359 7.344 ( 8.356 7.246 -10.799) 15.458 7.855 ( -8.324 9.695 8.441) 15.314 8.295 ( -2.553 21.128 5.337) 21.941 8.557 ( 4.216 15.935 8.724) 18.649 9.325 ( -0.856 -11.160 -5.927) 12.665 9.556 ( 2.009 -2.313 -4.082) 5.104 10.262 ( 10.241 -1.426 8.137) 13.158 11.129 ( 5.545 9.916 -16.408) 19.958 11.406 ( 16.291 14.175 7.588) 22.889 11.634 ( -4.645 6.143 -7.945) 11.065 12.632 ( 13.553 11.748 -12.099) 21.635 14.057 ( -7.024 -12.212 -5.344) 15.068 14.195 ( -8.113 -12.040 5.023) 15.363 14.887 ( -0.119 0.284 -0.608) 0.681 15.323 ( 4.008 -9.386 -3.274) 10.718 16.908 ( -6.575 -3.273 18.548) 19.949 18.704 ( 12.862 -24.847 -0.547) 27.984 19.324 ( -13.393 -0.603 -2.863) 13.709 19.728 ( -3.214 -0.961 1.299) 3.597 20.566 ( -18.988 10.808 5.027) 22.420 22.661 ( 18.648 -12.142 -12.537) 25.541 23.821 ( -9.795 4.755 -2.491) 11.169 24.275 ( 2.073 5.875 -1.958) 6.530 ======================= Grid point 392 (204/260) ======================= q-point: ( 0.30 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 7.750 4.036 8.261) 12.025 2.830 ( -0.299 3.859 -0.883) 3.970 2.949 ( 1.958 5.259 -1.522) 5.815 3.203 ( -5.575 6.858 -6.249) 10.824 3.345 ( -0.552 -6.730 -5.509) 8.714 3.492 ( 2.899 -4.039 -6.882) 8.490 3.995 ( -13.335 -10.187 -2.698) 16.996 4.405 ( -13.150 -6.230 1.395) 14.618 5.027 ( 9.963 5.053 15.034) 18.730 5.246 ( 13.206 6.211 7.369) 16.349 5.682 ( 0.970 1.670 0.930) 2.144 5.952 ( -0.047 3.018 -3.611) 4.707 6.555 ( 5.741 5.208 13.137) 15.253 7.481 ( 6.410 7.094 -6.993) 11.845 7.713 ( -7.140 6.992 8.687) 13.241 8.236 ( -4.119 18.348 4.676) 19.377 8.680 ( 4.519 15.851 10.119) 19.341 9.132 ( -8.504 -15.545 -9.881) 20.288 9.793 ( 14.174 0.820 1.932) 14.328 10.464 ( 8.252 0.351 4.175) 9.255 11.138 ( -3.573 1.545 -7.528) 8.474 11.429 ( -0.300 22.945 -0.313) 22.949 11.864 ( 16.222 6.701 -2.996) 17.805 12.839 ( 10.070 12.137 -17.937) 23.884 13.880 ( -7.699 -12.979 -7.956) 17.060 14.022 ( -11.394 -10.354 11.226) 19.054 14.917 ( 2.406 0.119 2.933) 3.796 15.365 ( 1.120 -8.923 -3.885) 9.796 16.978 ( 9.586 0.852 13.527) 16.601 18.810 ( -2.487 -15.366 -3.788) 16.020 19.029 ( -13.806 -1.321 -3.207) 14.235 19.680 ( -5.861 0.766 1.246) 6.041 20.370 ( 0.442 6.282 14.094) 15.437 22.845 ( 2.271 -8.847 -22.319) 24.115 23.681 ( -2.434 -1.228 3.376) 4.340 24.284 ( -0.490 3.228 -3.198) 4.570 ======================= Grid point 393 (205/260) ======================= q-point: ( 0.40 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 7.404 -1.165 2.737) 7.979 2.763 ( -2.928 2.727 -5.310) 6.649 2.887 ( -6.921 0.419 -4.872) 8.475 3.219 ( 5.259 9.105 -0.353) 10.520 3.238 ( -7.217 -6.706 0.436) 9.861 3.599 ( 5.892 -11.846 -8.935) 15.965 3.788 ( -5.131 -7.566 1.650) 9.290 4.145 ( -12.896 -4.420 -1.298) 13.694 5.244 ( 8.540 5.581 12.301) 15.981 5.483 ( 8.689 5.929 6.960) 12.614 5.688 ( -0.553 4.388 0.692) 4.476 5.911 ( -3.175 4.844 -2.225) 6.204 6.731 ( 9.086 5.380 12.147) 16.095 7.488 ( -4.315 7.641 -6.908) 11.168 7.668 ( -0.053 4.148 12.099) 12.790 8.167 ( -3.692 15.038 3.294) 15.831 8.743 ( 0.212 5.739 5.573) 8.002 9.033 ( 0.058 -7.658 -6.842) 10.269 10.021 ( 6.887 0.790 5.161) 8.643 10.576 ( 3.129 2.644 -7.815) 8.824 11.026 ( -5.692 2.910 12.875) 14.374 11.512 ( 7.690 20.980 -6.511) 23.274 12.081 ( 5.746 8.278 0.833) 10.111 12.900 ( 0.027 9.595 -23.847) 25.705 13.785 ( 0.770 -11.384 -3.226) 11.857 13.824 ( -10.608 -8.263 10.396) 16.997 14.978 ( 2.610 -1.190 5.640) 6.327 15.353 ( -1.314 -7.934 -4.526) 9.228 17.319 ( 21.587 2.874 7.722) 23.106 18.535 ( -19.659 -1.146 -7.627) 21.118 18.934 ( 2.749 -2.967 -0.864) 4.136 19.439 ( -16.108 6.052 -2.188) 17.346 20.637 ( 18.268 -5.122 23.837) 30.466 22.645 ( -14.739 -7.025 -27.957) 32.376 23.755 ( 7.118 -4.867 5.717) 10.346 24.242 ( -2.896 1.153 -4.686) 5.628 ======================= Grid point 394 (206/260) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( -11.442 1.065 -1.522) 11.592 2.695 ( 1.986 -0.999 -5.889) 6.294 2.896 ( 2.592 -0.413 1.785) 3.174 3.064 ( -4.932 -6.608 0.573) 8.266 3.312 ( 0.531 0.709 2.090) 2.270 3.633 ( 3.695 -7.127 -3.451) 8.738 3.820 ( -2.236 -8.021 -0.658) 8.353 3.942 ( -0.851 -1.746 -2.290) 3.003 5.402 ( 4.179 5.953 10.155) 12.492 5.568 ( -2.445 4.099 3.749) 6.070 5.694 ( 1.659 6.802 3.451) 7.806 5.841 ( -2.547 6.179 -2.118) 7.011 6.957 ( 10.658 5.920 11.484) 16.748 7.354 ( -6.466 6.564 -8.392) 12.463 7.690 ( -1.640 1.078 13.706) 13.846 8.114 ( -1.900 12.177 1.082) 12.371 8.741 ( -1.330 1.663 4.762) 5.217 9.050 ( 2.297 -4.358 -6.839) 8.428 10.061 ( -4.133 1.162 8.256) 9.306 10.585 ( 1.651 5.784 -13.496) 14.775 10.979 ( -4.453 7.083 20.715) 22.341 11.641 ( 5.292 13.768 -8.239) 16.895 12.120 ( -1.097 12.261 8.027) 14.695 12.743 ( -9.128 5.944 -22.749) 25.223 13.675 ( -6.327 -8.521 8.046) 13.318 13.896 ( 10.227 -8.462 -3.734) 13.789 15.043 ( 2.385 -2.516 6.918) 7.738 15.299 ( -2.841 -6.436 -5.014) 8.639 17.816 ( 26.039 3.723 3.808) 26.578 18.128 ( -17.963 1.902 -11.008) 21.153 19.026 ( -1.682 4.968 2.967) 6.026 19.160 ( -2.603 1.435 -2.821) 4.098 21.092 ( 20.614 -7.536 27.663) 35.312 22.205 ( -22.338 -9.234 -29.407) 38.066 23.924 ( 7.979 -3.323 4.568) 9.776 24.152 ( -4.797 -0.052 -6.359) 7.966 ======================= Grid point 395 (207/260) ======================= q-point: (-0.40 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( -10.474 3.175 4.043) 11.667 2.723 ( -6.659 -0.755 4.585) 8.120 2.801 ( 1.563 -2.976 0.016) 3.361 3.157 ( 5.593 -3.423 4.363) 7.876 3.286 ( 0.116 -0.569 -5.206) 5.239 3.630 ( -10.161 1.831 -5.877) 11.880 3.760 ( 7.966 -5.637 -0.789) 9.791 4.084 ( 8.793 -6.543 3.439) 11.488 5.385 ( -8.191 3.240 5.568) 10.421 5.519 ( -1.772 4.132 4.868) 6.627 5.712 ( -1.041 7.079 3.450) 7.944 5.819 ( 0.179 6.215 -1.540) 6.406 7.165 ( 5.961 4.799 7.731) 10.878 7.222 ( -3.780 6.625 -9.815) 12.430 7.653 ( -5.163 -2.177 14.866) 15.887 8.112 ( 1.830 11.301 0.591) 11.464 8.728 ( -0.301 4.040 5.580) 6.896 9.067 ( 0.290 -5.254 -6.369) 8.261 9.931 ( -10.167 4.621 7.878) 13.667 10.587 ( 0.552 4.926 -6.997) 8.575 10.903 ( -7.851 8.552 15.989) 19.759 11.619 ( -5.456 4.479 -7.319) 10.168 12.146 ( 1.155 20.709 13.733) 24.875 12.487 ( -10.861 5.889 -20.131) 23.620 13.618 ( -1.142 -10.421 6.253) 12.207 14.126 ( 13.536 -8.326 -6.154) 17.041 15.095 ( 0.927 -4.473 6.711) 8.118 15.226 ( -3.090 -4.394 -5.157) 7.446 17.773 ( -12.923 3.414 -13.792) 19.207 18.350 ( 24.498 3.787 1.322) 24.825 18.855 ( -6.588 -4.506 2.929) 8.502 19.380 ( 15.960 6.161 1.195) 17.150 21.535 ( 15.353 -5.623 26.551) 31.182 21.661 ( -23.784 -10.808 -26.953) 37.536 24.014 ( -4.271 -0.772 -5.182) 6.759 24.090 ( 4.850 0.206 0.729) 4.909 ======================= Grid point 396 (208/260) ======================= q-point: (-0.30 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -5.508 6.328 12.444) 15.008 2.538 ( -9.916 2.741 10.818) 14.928 2.959 ( 10.336 -1.774 3.475) 11.048 3.172 ( -1.131 1.732 -1.620) 2.627 3.290 ( -5.808 5.427 -5.672) 9.765 3.510 ( 3.645 -0.501 -4.857) 6.094 3.908 ( 6.890 -6.326 -1.242) 9.435 4.248 ( 5.798 -2.543 10.063) 11.889 5.204 ( -9.815 -1.856 2.536) 10.306 5.458 ( -5.776 3.085 3.189) 7.283 5.691 ( -1.595 6.379 2.678) 7.100 5.811 ( -0.933 4.684 -0.718) 4.829 7.123 ( -2.066 4.202 -14.078) 14.836 7.173 ( -9.452 0.283 6.498) 11.473 7.633 ( 1.313 4.913 15.996) 16.785 8.191 ( 5.601 11.934 2.221) 13.368 8.791 ( 5.657 5.329 6.966) 10.437 9.008 ( -5.321 -4.174 -4.371) 8.052 9.712 ( -13.359 7.319 4.460) 15.872 10.561 ( -3.240 3.799 5.077) 7.121 10.757 ( -8.719 5.582 4.402) 11.250 11.460 ( -8.269 0.761 -0.377) 8.313 12.122 ( -8.433 17.860 0.816) 19.768 12.307 ( -1.254 14.360 -8.565) 16.767 13.654 ( 3.160 -11.850 6.069) 13.684 14.382 ( 13.849 -9.790 -8.201) 18.839 15.071 ( -4.506 -5.320 -0.073) 6.972 15.184 ( -0.477 -3.368 0.359) 3.420 17.556 ( -5.691 2.087 -13.850) 15.119 18.683 ( 6.780 -11.099 2.491) 13.242 18.937 ( 15.726 -1.190 0.683) 15.786 19.702 ( 14.836 4.979 0.878) 15.674 21.083 ( -23.664 -6.610 -23.829) 34.227 21.888 ( 10.024 -3.668 26.346) 28.426 23.907 ( -3.490 0.996 -7.263) 8.120 24.187 ( 3.710 2.959 1.411) 4.951 ======================= Grid point 397 (209/260) ======================= q-point: (-0.20 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -2.478 11.071 15.267) 19.021 2.425 ( -4.323 6.882 17.434) 19.235 3.081 ( -10.706 10.962 -6.511) 16.649 3.134 ( 2.346 0.138 -0.035) 2.351 3.225 ( 10.833 4.416 -1.357) 11.778 3.652 ( 9.064 -2.720 -2.604) 9.815 4.010 ( 3.104 -3.568 2.180) 5.207 4.342 ( 0.333 2.709 17.726) 17.934 5.042 ( -6.324 -7.134 -1.986) 9.738 5.322 ( -7.943 1.428 0.731) 8.103 5.658 ( -2.509 2.757 4.223) 5.633 5.784 ( -1.188 3.077 -3.009) 4.465 6.884 ( -17.480 -3.421 10.688) 20.772 7.105 ( 2.077 8.818 -16.917) 19.190 7.734 ( 3.982 10.799 15.148) 19.025 8.317 ( 5.778 12.594 2.472) 14.075 8.842 ( -7.999 1.948 -3.557) 8.968 8.978 ( 8.292 2.039 9.725) 12.942 9.449 ( -12.452 7.411 1.626) 14.582 10.494 ( -5.222 7.105 15.506) 17.838 10.597 ( -7.119 -2.925 -7.975) 11.084 11.313 ( -7.417 -0.220 3.495) 8.203 11.939 ( -6.070 15.729 -9.181) 19.198 12.297 ( -0.638 18.033 -2.191) 18.177 13.758 ( 5.474 -11.510 7.146) 14.612 14.618 ( 11.877 -12.182 -11.171) 20.353 14.955 ( -6.112 -2.981 -2.643) 7.296 15.170 ( -1.698 -4.730 2.122) 5.455 17.488 ( 1.441 -4.158 -8.843) 9.877 18.743 ( -2.279 -25.395 -3.464) 25.731 19.274 ( 16.485 2.603 -0.760) 16.707 19.856 ( -0.992 -3.010 -4.564) 5.557 20.783 ( 2.056 5.083 -8.051) 9.741 22.020 ( -2.725 -2.633 20.284) 20.635 23.875 ( 2.040 4.564 -4.892) 6.994 24.236 ( 1.066 5.647 0.145) 5.749 ======================= Grid point 398 (210/260) ======================= q-point: (-0.10 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -0.885 15.292 13.202) 20.222 2.419 ( -2.808 11.145 20.071) 23.129 2.896 ( -5.017 9.475 -5.341) 11.977 3.164 ( 2.341 4.765 -7.019) 8.801 3.452 ( 9.985 1.967 2.276) 10.428 3.820 ( 7.539 0.328 -6.638) 10.050 4.048 ( 0.551 0.241 14.741) 14.753 4.366 ( -1.306 2.715 21.338) 21.549 4.931 ( -5.172 -7.335 -4.744) 10.152 5.172 ( -6.745 0.172 -1.909) 7.012 5.620 ( -2.230 -2.105 4.805) 5.700 5.762 ( 0.365 1.143 -5.968) 6.088 6.597 ( -13.755 1.606 16.109) 21.243 7.125 ( 3.715 11.051 -18.133) 21.558 7.843 ( 3.393 13.333 15.626) 20.819 8.383 ( -0.667 11.400 1.485) 11.515 8.741 ( 1.380 3.462 -4.131) 5.563 8.980 ( -12.057 10.604 4.263) 16.613 9.427 ( 10.773 0.488 8.700) 13.856 10.391 ( -9.183 -0.831 -2.570) 9.573 10.506 ( 0.943 0.369 6.542) 6.620 11.169 ( -7.024 2.806 -2.503) 7.967 11.889 ( 2.232 15.858 -4.047) 16.518 12.258 ( -2.043 14.191 -6.249) 15.640 13.890 ( 5.930 -10.146 8.781) 14.670 14.706 ( -2.701 -11.010 -16.861) 20.318 14.914 ( 5.081 -5.210 0.853) 7.327 15.124 ( -3.083 -5.091 0.596) 5.982 17.556 ( 5.109 -14.459 1.384) 15.397 18.479 ( -20.852 -22.775 -13.454) 33.682 19.561 ( 11.847 -0.168 -0.188) 11.849 19.780 ( -1.917 -2.872 -2.489) 4.257 21.085 ( 25.006 3.724 0.264) 25.283 21.869 ( -15.896 -2.231 12.259) 20.198 23.958 ( 6.501 8.223 -1.510) 10.590 24.228 ( -1.741 7.684 -1.354) 7.994 ======================= Grid point 399 (211/260) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -1.075 11.532 14.365) 18.452 2.712 ( 1.877 15.866 11.842) 19.887 2.994 ( -0.915 5.569 -2.007) 5.990 3.208 ( 0.812 -1.364 -4.821) 5.075 3.642 ( -0.081 2.199 3.020) 3.736 3.931 ( -3.233 5.577 -8.659) 10.796 4.169 ( 11.129 -2.541 12.410) 16.861 4.501 ( 1.590 3.230 21.345) 21.647 4.680 ( -5.222 -1.887 -7.183) 9.079 5.065 ( -3.869 0.164 -3.599) 5.287 5.461 ( -1.540 -8.146 5.248) 9.812 5.759 ( 1.949 -1.349 -9.094) 9.398 6.566 ( -4.475 5.960 21.537) 22.790 7.398 ( 3.031 10.554 -19.044) 21.983 8.184 ( 1.495 10.501 14.892) 18.283 8.635 ( 3.774 11.376 -5.205) 13.067 8.832 ( -4.228 2.357 11.547) 12.521 9.085 ( 1.122 14.204 1.062) 14.288 9.674 ( 11.879 -1.952 4.074) 12.709 9.968 ( -13.745 -8.937 -10.164) 19.290 10.804 ( 10.352 8.062 11.746) 17.610 11.099 ( 0.229 -1.720 -2.893) 3.374 12.350 ( -0.063 22.263 -3.767) 22.580 12.469 ( 0.171 13.324 -6.598) 14.869 13.793 ( 5.300 -12.051 8.547) 15.696 14.274 ( -6.831 -17.695 -14.453) 23.846 14.854 ( 1.688 -6.445 0.698) 6.699 14.998 ( 0.671 -3.446 -6.151) 7.082 17.116 ( -12.503 -16.368 19.851) 28.606 17.903 ( 0.695 -10.937 -22.060) 24.632 19.621 ( -2.356 -1.503 2.702) 3.887 19.780 ( 3.678 -0.820 -5.750) 6.875 21.489 ( -17.692 0.648 5.163) 18.441 21.583 ( 20.680 -2.543 0.342) 20.839 24.239 ( 5.107 5.578 0.686) 7.594 24.320 ( -3.419 5.732 -2.900) 7.277 ======================= Grid point 400 (212/260) ======================= q-point: ( 0.10 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -2.242 11.696 11.591) 16.618 2.795 ( 4.109 14.604 11.365) 18.956 3.027 ( 2.969 2.199 1.130) 3.863 3.191 ( -0.933 -1.615 -7.354) 7.587 3.595 ( -4.324 1.921 0.814) 4.800 3.775 ( -9.438 6.627 -5.423) 12.743 4.280 ( -6.489 -11.561 3.021) 13.597 4.527 ( 0.279 -2.377 -1.110) 2.638 4.720 ( 7.972 7.263 19.330) 22.135 4.995 ( -0.802 2.936 -3.974) 5.005 5.501 ( 4.181 -6.030 3.360) 8.071 5.820 ( 5.689 -2.028 -7.103) 9.324 6.550 ( -2.140 6.874 20.065) 21.318 7.417 ( 4.006 8.308 -17.611) 19.880 8.202 ( -4.220 11.519 11.493) 16.810 8.695 ( 3.925 8.900 -6.701) 11.812 8.751 ( -3.490 11.367 10.748) 16.028 9.206 ( 6.010 8.575 3.781) 11.134 9.612 ( -12.662 -6.361 -5.550) 15.218 9.978 ( 12.365 -3.258 1.926) 12.931 11.124 ( 14.064 4.008 -0.527) 14.633 11.150 ( 10.736 0.891 -1.108) 10.830 12.185 ( -9.809 22.031 -5.624) 24.763 12.641 ( 12.726 12.956 -4.076) 18.612 13.870 ( 0.023 -12.164 7.374) 14.224 14.078 ( -9.104 -16.396 -11.853) 22.185 14.866 ( 0.109 -4.045 -1.659) 4.373 15.045 ( 4.551 -6.912 -4.369) 9.358 16.921 ( -10.467 -9.387 21.526) 25.711 17.996 ( 11.562 -15.365 -12.580) 22.979 19.524 ( -7.815 -0.689 0.524) 7.862 19.781 ( -2.296 -1.176 -4.208) 4.936 21.106 ( -19.567 4.355 3.626) 20.371 22.034 ( 22.654 -7.314 -2.048) 23.893 24.152 ( -9.826 5.469 -3.261) 11.709 24.347 ( 2.740 4.563 -0.539) 5.350 ======================= Grid point 401 (213/260) ======================= q-point: ( 0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 0.020 10.722 8.904) 13.937 2.900 ( 2.840 9.151 13.119) 16.246 3.067 ( -0.569 3.097 -1.249) 3.387 3.160 ( 0.919 -5.270 -7.514) 9.224 3.500 ( -4.553 5.541 -4.562) 8.499 3.576 ( -8.792 4.223 -5.043) 10.981 4.032 ( -14.992 -13.622 -4.500) 20.750 4.450 ( -8.845 -9.044 -2.171) 12.835 4.937 ( 8.641 7.343 18.869) 22.014 5.109 ( 11.897 6.360 2.722) 13.763 5.611 ( 5.670 -2.216 2.425) 6.553 5.922 ( 5.415 -1.097 -5.103) 7.521 6.581 ( 1.299 6.677 16.662) 17.997 7.492 ( 7.524 6.411 -14.997) 17.961 8.063 ( -10.752 10.108 8.287) 16.926 8.695 ( -5.227 15.745 6.313) 17.751 8.792 ( 3.990 1.632 -3.031) 5.270 9.154 ( -8.509 -0.355 -1.025) 8.578 9.580 ( 9.585 4.513 4.471) 11.500 10.229 ( 12.168 -2.094 1.971) 12.504 11.184 ( 0.967 -1.314 -8.454) 8.610 11.585 ( 22.755 3.715 -1.670) 23.117 12.014 ( -5.012 26.401 -3.716) 27.129 12.891 ( 13.061 11.684 -4.228) 18.027 13.778 ( -9.176 -14.391 -8.983) 19.287 13.919 ( -6.024 -13.683 5.672) 15.990 14.874 ( 1.100 -1.801 -0.525) 2.175 15.124 ( 3.975 -8.822 -3.931) 10.444 16.856 ( -0.254 -1.603 19.924) 19.990 18.245 ( 14.651 -18.550 -6.121) 24.418 19.317 ( -13.080 -0.202 -1.740) 13.196 19.706 ( -3.361 -1.019 -0.397) 3.534 20.761 ( -16.127 7.803 4.300) 18.424 22.431 ( 17.956 -9.528 -6.637) 21.383 23.907 ( -13.553 3.326 -3.477) 14.381 24.369 ( -0.197 3.247 -1.302) 3.504 ======================= Grid point 402 (214/260) ======================= q-point: ( 0.30 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 2.124 6.912 6.335) 9.614 2.932 ( -3.031 5.703 8.362) 10.566 3.001 ( -3.392 1.896 -6.505) 7.578 3.185 ( 1.006 -7.354 -4.491) 8.675 3.411 ( -3.699 2.389 -6.745) 8.055 3.417 ( -5.130 4.735 -6.561) 9.580 3.748 ( -11.394 -12.774 -0.048) 17.117 4.230 ( -11.280 -9.868 -3.923) 15.492 5.157 ( 9.662 6.676 14.807) 18.899 5.374 ( 12.323 5.481 6.518) 14.979 5.718 ( 4.401 1.627 1.999) 5.100 5.989 ( 2.064 0.563 -3.038) 3.715 6.684 ( 5.756 6.833 13.309) 16.029 7.627 ( 8.101 6.356 -11.055) 15.108 7.867 ( -10.285 7.340 7.940) 14.923 8.580 ( -7.205 13.855 3.289) 15.959 8.677 ( -11.007 -13.897 -4.307) 18.244 9.155 ( 5.982 14.615 0.222) 15.793 9.834 ( 12.552 3.261 8.243) 15.366 10.450 ( 9.777 -1.524 -1.248) 9.974 11.130 ( -4.245 -1.320 -0.579) 4.483 11.873 ( 6.038 13.213 -16.200) 21.759 12.078 ( 12.081 19.064 7.132) 23.670 13.107 ( 9.060 12.377 -8.215) 17.400 13.560 ( -8.802 -17.338 -8.800) 21.342 13.803 ( -8.054 -10.339 9.454) 16.160 14.905 ( 1.799 -1.380 1.671) 2.816 15.173 ( 1.959 -8.806 -4.004) 9.870 17.016 ( 12.375 2.661 14.968) 19.603 18.500 ( 11.384 -13.508 -4.199) 18.157 19.014 ( -15.925 -0.419 -3.336) 16.276 19.672 ( -1.677 -1.003 2.473) 3.152 20.517 ( -8.614 7.041 9.284) 14.490 22.653 ( 4.987 -8.816 -16.561) 19.413 23.664 ( -8.364 -0.580 1.904) 8.597 24.337 ( -2.486 1.872 -2.912) 4.262 ======================= Grid point 403 (215/260) ======================= q-point: ( 0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 1.687 0.773 1.700) 2.517 2.840 ( -6.206 4.580 0.067) 7.714 2.921 ( -2.562 3.071 -7.125) 8.171 3.085 ( -10.466 -7.431 -0.980) 12.873 3.356 ( 3.892 -8.629 -9.764) 13.600 3.365 ( -2.564 0.442 -1.746) 3.133 3.643 ( -0.332 -4.034 5.495) 6.825 4.022 ( -8.450 -7.118 -4.729) 12.018 5.370 ( 8.470 6.030 12.146) 15.988 5.588 ( 7.111 3.837 6.469) 10.350 5.789 ( 2.476 4.968 1.656) 5.793 5.989 ( -1.356 2.515 -1.242) 3.115 6.865 ( 9.563 7.196 11.194) 16.387 7.641 ( -6.473 6.426 -5.955) 10.893 7.774 ( -0.717 5.990 8.362) 10.311 8.424 ( -6.106 3.033 -12.338) 14.096 8.532 ( -3.646 -8.912 10.954) 14.584 9.241 ( 2.125 15.567 -5.777) 16.740 10.046 ( 5.539 1.349 10.378) 11.841 10.598 ( 6.520 0.131 -7.916) 10.256 11.084 ( -0.971 2.571 13.473) 13.750 11.910 ( 2.208 15.089 -15.408) 21.678 12.301 ( 7.546 14.309 6.472) 17.423 13.103 ( -7.135 8.367 -15.870) 19.308 13.515 ( 6.224 -13.674 -0.490) 15.031 13.652 ( -9.114 -7.930 8.819) 14.957 14.947 ( 1.833 -1.774 3.074) 3.994 15.184 ( 0.142 -7.707 -4.056) 8.711 17.394 ( 22.593 4.069 8.246) 24.392 18.503 ( -14.096 -1.923 -5.834) 15.377 18.883 ( 8.735 -1.936 -2.210) 9.216 19.538 ( -13.610 3.315 -1.069) 14.048 20.559 ( 9.971 -2.189 20.783) 23.155 22.486 ( -15.636 -7.624 -26.381) 31.600 23.664 ( 6.271 -3.695 7.606) 10.527 24.260 ( -4.335 0.645 -5.147) 6.760 ======================= Grid point 404 (216/260) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( -6.270 -1.458 -0.665) 6.472 2.705 ( -2.391 1.873 -6.097) 6.812 2.870 ( -8.431 -3.268 3.242) 9.605 2.954 ( 3.934 -1.028 1.418) 4.306 3.303 ( -2.729 -2.877 -2.524) 4.701 3.463 ( 8.028 -9.236 -8.844) 15.098 3.698 ( 2.832 -1.889 5.765) 6.695 3.889 ( -3.413 -3.547 -4.537) 6.694 5.524 ( 3.853 5.383 9.822) 11.844 5.646 ( -2.656 3.184 4.398) 6.045 5.832 ( 1.344 6.040 3.046) 6.897 5.953 ( -1.393 4.287 -0.903) 4.598 7.095 ( 10.577 7.030 10.281) 16.340 7.480 ( -7.303 4.900 -7.365) 11.471 7.722 ( -7.067 2.197 12.237) 14.301 8.329 ( -1.154 6.645 -9.647) 11.771 8.565 ( 3.571 -10.486 11.340) 15.852 9.207 ( -2.667 11.724 -12.512) 17.353 10.094 ( -2.749 1.823 13.663) 14.056 10.678 ( 3.696 3.394 -10.883) 11.984 11.123 ( -0.704 6.550 20.215) 21.261 11.858 ( -4.748 7.022 -14.434) 16.739 12.441 ( 6.340 17.792 8.991) 20.918 12.873 ( -10.926 5.772 -13.668) 18.426 13.498 ( -7.936 -7.893 7.273) 13.348 13.698 ( 10.883 -10.423 -1.667) 15.161 14.985 ( 1.116 -2.883 3.491) 4.663 15.165 ( -0.886 -5.918 -4.228) 7.327 17.901 ( 25.981 4.191 2.489) 26.434 18.159 ( -15.200 0.955 -9.655) 18.032 19.131 ( 1.826 4.799 1.119) 5.255 19.198 ( -6.520 2.072 -1.585) 7.022 20.931 ( 19.979 -7.501 27.376) 34.711 22.015 ( -24.013 -8.438 -28.225) 38.006 23.859 ( 10.259 -2.748 6.502) 12.453 24.147 ( -5.493 -0.367 -7.732) 9.492 ======================= Grid point 405 (217/260) ======================= q-point: (-0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -7.054 2.834 3.763) 8.482 2.714 ( -6.627 -1.922 5.737) 8.974 2.764 ( 5.677 1.429 1.134) 5.963 3.082 ( 7.192 -4.140 3.027) 8.833 3.270 ( 0.773 -0.436 -5.011) 5.089 3.585 ( 4.190 -5.435 -10.664) 12.681 3.719 ( 0.505 1.082 -0.033) 1.195 3.920 ( 6.634 -8.187 1.877) 10.704 5.482 ( -10.214 5.228 5.163) 12.583 5.598 ( -2.366 3.150 5.692) 6.923 5.837 ( -1.831 4.667 4.513) 6.746 5.933 ( -0.681 4.730 -2.389) 5.343 7.241 ( -1.886 2.323 5.647) 6.391 7.352 ( -3.338 4.886 -6.694) 8.935 7.630 ( -1.282 1.075 14.280) 14.378 8.330 ( 2.718 9.040 -2.745) 9.830 8.678 ( 4.574 -6.868 10.166) 13.094 9.121 ( -2.348 7.478 -12.952) 15.139 10.018 ( -8.132 3.696 14.170) 16.751 10.683 ( -0.768 3.997 -10.297) 11.073 11.100 ( -6.862 10.048 19.265) 22.785 11.670 ( -10.357 0.865 -9.697) 14.214 12.580 ( -0.168 16.936 3.735) 17.344 12.661 ( -2.524 13.192 -5.896) 14.669 13.386 ( -4.537 -11.020 5.471) 13.113 13.914 ( 11.477 -12.318 -3.823) 17.264 14.998 ( -0.875 -4.518 3.347) 5.691 15.136 ( -0.829 -3.922 -4.699) 6.177 17.850 ( -10.978 3.727 -13.148) 17.530 18.432 ( 22.878 3.794 -2.546) 23.330 18.767 ( -16.531 -3.769 3.065) 17.230 19.497 ( 16.505 4.836 1.569) 17.271 21.404 ( 20.136 -6.877 28.851) 35.848 21.466 ( -24.219 -7.162 -26.039) 36.275 23.999 ( -3.345 -0.480 -6.605) 7.419 24.084 ( 7.267 -0.814 1.146) 7.401 ======================= Grid point 406 (218/260) ======================= q-point: (-0.30 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -0.068 7.844 11.835) 14.199 2.603 ( -5.778 3.525 9.698) 11.826 2.930 ( 8.745 -1.018 4.973) 10.112 3.238 ( 8.809 1.349 -0.303) 8.917 3.318 ( 4.386 -0.746 -1.624) 4.736 3.524 ( -5.102 3.385 -9.400) 11.218 3.805 ( 6.759 -3.436 -5.223) 9.207 4.104 ( 10.387 -10.751 4.949) 15.747 5.247 ( -13.774 4.970 4.533) 15.329 5.515 ( -7.210 2.260 3.671) 8.401 5.780 ( -5.322 1.765 5.987) 8.202 5.901 ( -1.718 4.096 -4.892) 6.607 7.077 ( -13.888 -4.065 9.800) 17.477 7.276 ( -0.795 5.426 -11.442) 12.688 7.768 ( 8.385 7.522 14.029) 17.992 8.425 ( 6.795 9.713 2.291) 12.073 8.775 ( 2.536 -5.389 9.307) 11.049 9.063 ( -0.816 7.047 -9.582) 11.922 9.840 ( -12.703 4.922 10.972) 17.492 10.610 ( -4.236 1.219 -8.459) 9.539 10.946 ( -11.963 11.779 15.101) 22.581 11.451 ( -10.044 -1.731 -1.150) 10.256 12.411 ( -8.009 12.869 -10.605) 18.500 12.749 ( 2.433 24.576 6.457) 25.527 13.366 ( 1.875 -15.584 4.449) 16.315 14.124 ( 10.961 -15.241 -6.628) 19.909 14.961 ( -3.435 -4.780 2.468) 6.382 15.112 ( -0.684 -3.332 -4.807) 5.888 17.635 ( -8.436 5.684 -13.444) 16.859 18.405 ( -10.715 -14.264 0.402) 17.844 18.958 ( 21.437 1.960 -1.686) 21.593 19.762 ( 8.522 1.060 -1.017) 8.648 21.006 ( -14.714 -1.034 -17.719) 23.055 21.803 ( 12.476 -4.102 25.938) 29.073 23.915 ( -1.129 -0.000 -9.180) 9.249 24.237 ( 6.453 1.706 1.899) 6.940 ======================= Grid point 407 (219/260) ======================= q-point: (-0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 4.762 13.274 15.091) 20.655 2.538 ( -3.287 5.847 13.440) 15.021 3.086 ( 5.700 -2.843 3.950) 7.495 3.295 ( -8.385 8.789 -2.601) 12.422 3.429 ( 9.793 12.872 -7.488) 17.823 3.533 ( 10.560 -8.233 2.508) 13.623 3.922 ( 6.034 -4.150 -4.223) 8.454 4.316 ( 8.529 -6.966 8.426) 13.866 4.991 ( -12.220 3.093 2.477) 12.846 5.349 ( -9.660 1.071 1.995) 9.922 5.662 ( -7.799 -2.449 7.045) 10.791 5.847 ( -2.275 2.836 -7.670) 8.488 6.821 ( -13.728 -2.459 15.980) 21.210 7.287 ( 4.838 8.119 -17.051) 19.495 7.955 ( 6.787 10.238 14.987) 19.378 8.576 ( 6.482 11.441 3.421) 13.587 8.776 ( -4.246 -6.114 7.030) 10.238 9.098 ( 6.922 6.917 -3.024) 10.242 9.592 ( -13.795 5.781 7.057) 16.538 10.477 ( -7.459 -3.964 -10.340) 13.352 10.751 ( -9.835 12.643 15.138) 22.039 11.277 ( -8.135 -3.094 4.606) 9.847 12.274 ( -2.747 16.790 -11.362) 20.458 12.736 ( -4.447 22.699 2.529) 23.269 13.475 ( 7.237 -15.048 5.407) 17.551 14.300 ( 8.348 -18.523 -10.195) 22.732 14.886 ( -4.295 -3.280 1.916) 5.734 15.080 ( -1.559 -3.780 -5.038) 6.489 17.444 ( -8.619 0.400 -4.186) 9.590 18.244 ( -6.342 -21.893 -9.744) 24.788 19.331 ( 16.477 2.686 -3.004) 16.963 19.784 ( -3.924 -3.527 -4.555) 6.970 20.901 ( 6.505 5.583 -3.923) 9.428 21.964 ( -1.819 -2.543 17.796) 18.068 23.944 ( 5.804 2.264 -5.482) 8.299 24.337 ( 3.335 3.746 0.431) 5.034 ======================= Grid point 408 (220/260) ======================= q-point: (-0.10 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -0.999 12.433 12.418) 17.601 2.619 ( 4.479 11.346 17.406) 21.255 3.102 ( -8.260 9.480 -5.517) 13.731 3.177 ( 2.879 -1.862 -0.134) 3.431 3.575 ( 6.049 4.844 -0.090) 7.750 3.814 ( 14.854 1.911 -0.565) 14.987 4.012 ( 3.191 -3.090 2.372) 5.036 4.441 ( 1.192 1.158 16.892) 16.973 4.806 ( -6.416 -1.714 -4.206) 7.861 5.175 ( -7.504 -0.052 0.030) 7.504 5.531 ( -6.465 -6.448 6.707) 11.329 5.784 ( -1.736 0.861 -9.532) 9.727 6.641 ( -8.555 2.355 19.941) 21.826 7.358 ( 5.652 10.662 -19.263) 22.731 8.097 ( 3.933 10.887 16.080) 19.813 8.616 ( -1.134 8.172 -2.676) 8.673 8.779 ( 3.530 2.062 9.507) 10.349 9.192 ( -4.921 9.057 4.072) 11.083 9.448 ( 4.934 1.387 2.510) 5.707 10.258 ( -12.058 -7.263 -11.595) 18.237 10.678 ( -0.559 11.205 14.951) 18.692 11.152 ( -5.283 -3.270 3.095) 6.941 12.265 ( 4.194 18.947 -8.793) 21.304 12.610 ( -7.806 18.948 -2.014) 20.592 13.642 ( 7.738 -12.881 7.012) 16.582 14.373 ( 0.977 -20.183 -13.804) 24.471 14.831 ( -0.952 -3.173 2.248) 4.003 15.031 ( -1.879 -3.648 -5.808) 7.112 17.285 ( -8.599 -10.803 9.606) 16.820 18.055 ( -8.572 -17.010 -21.878) 29.008 19.577 ( 8.180 1.497 -1.207) 8.403 19.719 ( 0.405 -2.919 -2.675) 3.980 21.160 ( 18.255 3.258 1.170) 18.581 21.827 ( -14.235 -1.704 9.332) 17.107 24.090 ( 8.731 4.661 -1.234) 9.974 24.367 ( -0.288 5.237 -1.052) 5.350 ======================= Grid point 409 (221/260) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 0.029 3.733 16.175) 16.601 2.965 ( 1.268 6.106 7.660) 9.877 3.098 ( -5.274 3.537 -2.019) 6.664 3.209 ( 2.720 2.868 -3.561) 5.320 3.595 ( -0.199 -5.240 12.977) 13.997 3.998 ( -0.872 0.964 -3.658) 3.882 4.201 ( 3.444 4.689 0.650) 5.854 4.439 ( 5.378 -5.523 -1.658) 7.885 4.812 ( -2.471 10.158 6.646) 12.388 5.031 ( -4.234 -4.234 -0.169) 5.990 5.298 ( -0.660 -5.702 7.336) 9.315 5.736 ( 0.610 -0.705 -10.358) 10.400 6.658 ( -2.959 2.484 23.110) 23.431 7.559 ( 1.568 4.300 -19.753) 20.277 8.373 ( 3.192 7.061 9.690) 12.407 8.662 ( 2.139 -4.097 -1.632) 4.901 8.956 ( -0.717 5.282 16.339) 17.186 9.367 ( 2.785 11.617 4.583) 12.795 9.612 ( 13.270 -4.309 -2.774) 14.225 9.815 ( -16.499 -5.021 -10.175) 20.024 10.946 ( 6.115 5.342 8.725) 11.919 11.040 ( 1.953 -3.443 3.908) 5.562 12.721 ( 4.917 11.431 -1.627) 12.550 12.755 ( -5.881 10.711 -1.883) 12.364 13.599 ( 4.412 -3.780 1.067) 5.907 13.882 ( -3.640 -16.883 -12.613) 21.387 14.764 ( -0.165 -2.155 1.493) 2.627 14.951 ( 0.550 -1.138 -8.765) 8.856 16.886 ( -11.331 -5.728 20.068) 23.747 17.741 ( 1.166 -4.206 -25.196) 25.571 19.601 ( -2.354 -0.439 2.652) 3.573 19.767 ( 3.481 -0.332 -6.326) 7.228 21.502 ( -16.567 0.479 4.104) 17.075 21.548 ( 17.697 -0.898 1.832) 17.815 24.318 ( 6.151 1.981 0.946) 6.531 24.394 ( -4.555 1.681 -2.307) 5.375 ======================= Grid point 410 (222/260) ======================= q-point: ( 0.10 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -1.526 5.054 13.094) 14.118 3.001 ( 0.299 2.691 7.266) 7.754 3.049 ( -0.071 0.926 -0.391) 1.007 3.234 ( 0.592 6.609 -1.984) 6.926 3.556 ( -5.518 -5.250 10.719) 13.149 3.906 ( -6.667 4.453 -4.933) 9.413 4.108 ( -11.179 -4.247 -6.015) 13.386 4.465 ( -3.823 -2.361 -7.624) 8.849 4.888 ( 7.058 8.179 15.236) 18.677 5.011 ( 3.118 -2.473 4.075) 5.696 5.389 ( 7.603 -3.592 3.599) 9.146 5.782 ( 5.865 -1.210 -8.178) 10.136 6.657 ( -2.168 2.932 21.370) 21.679 7.542 ( 2.366 3.287 -19.260) 19.681 8.433 ( -3.322 10.829 8.118) 13.936 8.636 ( -0.007 -8.079 1.823) 8.282 8.988 ( 0.155 6.328 4.226) 7.611 9.400 ( -10.396 5.461 -3.068) 12.137 9.558 ( 2.170 2.236 6.212) 6.950 9.892 ( 14.909 -4.476 -4.333) 16.158 11.112 ( 4.082 -1.349 -0.674) 4.352 11.204 ( 18.300 1.790 3.549) 18.727 12.626 ( -5.243 17.326 -1.998) 18.212 12.851 ( 6.948 4.820 0.246) 8.460 13.652 ( 0.204 -7.390 0.202) 7.395 13.751 ( -5.888 -11.816 -11.339) 17.403 14.781 ( 1.463 -2.829 0.910) 3.313 14.963 ( 2.370 -1.603 -7.279) 7.821 16.784 ( -3.957 -3.541 22.949) 23.555 17.778 ( 8.029 -5.428 -17.799) 20.267 19.516 ( -7.224 -0.140 1.100) 7.309 19.761 ( -2.243 -0.553 -5.158) 5.651 21.170 ( -16.570 1.682 3.298) 16.979 21.931 ( 19.506 -2.556 0.383) 19.676 24.230 ( -10.905 1.956 -3.759) 11.700 24.405 ( 2.012 1.283 0.671) 2.479 ======================= Grid point 411 (223/260) ======================= q-point: ( 0.20 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -1.024 5.652 9.230) 10.871 3.006 ( -0.916 0.190 3.134) 3.271 3.058 ( 0.497 -1.798 -0.602) 1.960 3.217 ( -3.081 10.126 5.989) 12.161 3.461 ( -5.883 -7.026 6.250) 11.092 3.756 ( -7.526 7.075 -5.190) 11.560 3.801 ( -15.090 -5.871 -13.716) 21.220 4.274 ( -11.873 -6.611 -8.425) 15.989 5.069 ( 7.536 4.487 15.768) 18.043 5.196 ( 12.159 1.608 7.765) 14.516 5.571 ( 9.457 -1.186 1.824) 9.704 5.895 ( 6.342 -1.050 -5.377) 8.381 6.690 ( 1.507 3.127 17.177) 17.525 7.587 ( 6.819 2.417 -18.573) 19.933 8.249 ( -13.549 6.713 6.595) 16.497 8.656 ( -5.464 -7.256 2.472) 9.414 8.932 ( -6.310 5.849 1.500) 8.734 9.232 ( 1.803 2.876 -6.360) 7.209 9.722 ( 8.198 6.721 14.760) 18.173 10.169 ( 14.052 -3.032 -5.099) 15.252 11.146 ( -0.573 -1.451 -2.592) 3.025 11.637 ( 23.305 1.379 -3.662) 23.631 12.553 ( -1.450 23.537 -1.581) 23.635 12.986 ( 6.100 -6.544 1.999) 9.166 13.557 ( -6.748 -2.440 -10.748) 12.923 13.670 ( -2.526 -10.007 1.674) 10.456 14.821 ( 2.255 -2.275 0.858) 3.316 15.002 ( 2.847 -2.747 -5.732) 6.965 16.840 ( 4.588 -0.150 22.118) 22.590 17.975 ( 15.048 -6.936 -10.866) 19.815 19.314 ( -13.263 -0.062 -0.975) 13.299 19.690 ( -3.160 -0.435 -1.415) 3.490 20.875 ( -14.341 2.954 3.851) 15.140 22.291 ( 16.727 -3.611 -3.257) 17.420 23.953 ( -15.676 1.090 -4.312) 16.294 24.412 ( -1.185 0.978 -0.463) 1.604 ======================= Grid point 412 (224/260) ======================= q-point: ( 0.30 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( -1.867 4.678 5.300) 7.312 2.985 ( -1.349 -0.285 -0.656) 1.527 3.045 ( -2.429 -2.022 -2.087) 3.787 3.153 ( -3.897 8.858 7.396) 12.180 3.333 ( -8.921 -4.120 -7.490) 12.355 3.430 ( -14.725 -9.905 -2.097) 17.869 3.692 ( -0.618 8.048 -6.230) 10.196 4.026 ( -10.196 -8.709 -7.372) 15.302 5.267 ( 8.841 3.264 14.242) 17.078 5.449 ( 10.935 1.692 8.077) 13.699 5.747 ( 7.698 1.010 1.246) 7.863 5.985 ( 3.441 -0.514 -2.656) 4.377 6.803 ( 6.398 3.627 13.050) 14.980 7.720 ( 10.211 2.367 -16.109) 19.219 7.994 ( -12.890 4.242 5.169) 14.522 8.425 ( -15.014 -7.980 1.817) 17.099 8.781 ( -8.885 5.050 4.003) 10.976 9.388 ( 10.873 6.005 -10.291) 16.131 9.916 ( 7.279 3.457 17.242) 19.032 10.409 ( 11.576 -1.774 -6.981) 13.634 11.104 ( -2.381 -0.837 3.923) 4.664 12.007 ( 13.991 2.788 -10.904) 17.956 12.567 ( 3.075 24.021 0.142) 24.218 13.082 ( 2.614 -19.184 1.002) 19.387 13.416 ( -4.378 8.186 -7.196) 11.745 13.606 ( -4.692 -8.898 3.559) 10.670 14.870 ( 2.352 -1.440 1.010) 2.937 15.041 ( 2.245 -3.403 -4.686) 6.211 17.069 ( 14.134 1.808 16.625) 21.896 18.293 ( 18.034 -5.616 -5.640) 19.712 19.009 ( -16.249 -0.147 -3.103) 16.543 19.654 ( -1.089 -0.517 2.440) 2.721 20.628 ( -11.406 3.051 7.383) 13.925 22.517 ( 5.616 -3.685 -12.820) 14.473 23.655 ( -11.420 -0.277 0.589) 11.439 24.362 ( -3.401 0.594 -2.536) 4.284 ======================= Grid point 413 (225/260) ======================= q-point: ( 0.40 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( -3.835 1.509 1.497) 4.385 2.921 ( -10.094 -1.193 -3.687) 10.812 2.946 ( -3.372 1.953 0.164) 3.900 3.034 ( -7.055 2.987 -10.956) 13.369 3.182 ( 1.056 -3.955 -1.538) 4.373 3.281 ( -3.935 -7.630 3.308) 9.200 3.693 ( 1.244 6.273 -1.229) 6.512 3.867 ( -4.469 -7.354 -5.281) 10.096 5.465 ( 7.682 2.607 12.238) 14.683 5.638 ( 5.996 1.169 6.616) 9.005 5.870 ( 4.445 2.382 1.297) 5.207 6.016 ( 0.262 0.378 -0.466) 0.655 6.993 ( 9.887 4.024 10.278) 14.818 7.730 ( -9.695 2.137 -2.930) 10.351 7.918 ( 3.887 7.846 -1.725) 8.924 8.169 ( -7.114 -12.755 -2.549) 14.825 8.626 ( -7.823 3.961 8.394) 12.139 9.489 ( 1.767 6.872 -19.025) 20.305 10.066 ( 3.356 0.477 18.035) 18.351 10.594 ( 9.296 -0.226 -8.343) 12.493 11.123 ( 2.356 1.056 15.286) 15.502 12.102 ( -0.758 4.294 -14.264) 14.915 12.659 ( 5.336 18.279 1.263) 19.084 13.062 ( -4.006 -13.911 -4.709) 15.223 13.393 ( 2.547 3.932 0.939) 4.778 13.507 ( -6.103 -6.183 5.304) 10.179 14.913 ( 1.652 -1.187 1.128) 2.326 15.067 ( 1.431 -3.074 -4.393) 5.549 17.464 ( 22.698 2.139 8.333) 24.274 18.467 ( -8.668 -1.155 -4.109) 9.662 18.856 ( 11.152 -0.656 -3.172) 11.612 19.577 ( -10.010 0.714 0.190) 10.037 20.541 ( 2.232 -0.044 18.273) 18.409 22.365 ( -15.977 -3.407 -24.869) 29.754 23.610 ( 5.596 -1.379 8.065) 9.913 24.269 ( -5.127 0.198 -5.343) 7.408 ======================= Grid point 414 (226/260) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -4.557 -1.075 1.042) 4.796 2.706 ( -6.989 -1.364 -5.535) 9.019 2.862 ( -4.222 2.264 1.423) 4.997 2.974 ( 0.117 1.289 -3.308) 3.552 3.221 ( 2.241 -3.419 -0.521) 4.121 3.295 ( 5.884 -5.405 -3.165) 8.594 3.725 ( 1.807 3.205 0.170) 3.683 3.806 ( -1.263 -4.135 -4.114) 5.968 5.605 ( 3.485 2.153 9.665) 10.498 5.691 ( -2.406 1.057 4.830) 5.499 5.924 ( 0.583 2.499 2.041) 3.279 6.011 ( -0.258 1.359 0.169) 1.394 7.216 ( 9.223 3.666 9.666) 13.854 7.539 ( -8.092 1.053 -4.821) 9.478 7.782 ( -12.362 2.786 7.252) 14.601 8.274 ( 12.835 -6.121 -11.388) 18.217 8.526 ( -4.851 2.305 16.355) 17.214 9.393 ( -4.965 5.087 -22.560) 23.653 10.123 ( -1.817 0.805 18.398) 18.505 10.726 ( 5.387 1.150 -9.705) 11.159 11.228 ( 2.587 3.008 21.229) 21.597 11.951 ( -10.510 2.240 -12.985) 16.855 12.773 ( 6.101 12.031 1.500) 13.572 12.943 ( -5.943 0.260 -6.794) 9.030 13.384 ( -6.108 -2.366 6.612) 9.307 13.496 ( 5.327 -7.607 3.251) 9.839 14.935 ( 0.286 -1.530 1.397) 2.091 15.078 ( 0.854 -2.237 -5.030) 5.570 17.971 ( 26.636 2.077 1.006) 26.736 18.167 ( -14.547 -0.003 -8.284) 16.740 19.207 ( 14.292 2.165 0.380) 14.460 19.233 ( -18.159 1.015 -1.293) 18.233 20.812 ( 18.066 -3.301 27.520) 33.085 21.886 ( -23.986 -3.442 -27.419) 36.592 23.818 ( 11.711 -1.048 7.480) 13.936 24.140 ( -6.166 -0.212 -8.508) 10.510 ======================= Grid point 415 (227/260) ======================= q-point: (-0.40 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -2.327 2.455 5.593) 6.537 2.658 ( 1.175 -2.441 1.343) 3.024 2.822 ( 0.647 2.468 3.336) 4.200 2.995 ( 2.426 -3.237 0.001) 4.045 3.303 ( 6.952 3.910 -3.471) 8.698 3.454 ( 10.237 -6.791 -4.438) 13.062 3.745 ( -0.197 1.148 -3.867) 4.039 3.795 ( 1.413 -3.462 -1.561) 4.052 5.568 ( -9.782 2.488 4.937) 11.236 5.641 ( -2.621 0.956 6.406) 6.987 5.899 ( -3.917 1.413 3.448) 5.406 6.003 ( -0.733 1.824 -1.843) 2.695 7.264 ( -10.044 0.264 12.110) 15.736 7.404 ( -4.115 0.767 -7.788) 8.842 7.693 ( 5.617 3.128 5.881) 8.713 8.459 ( 6.031 3.037 -10.062) 12.118 8.549 ( 4.164 -3.923 22.671) 23.382 9.251 ( -3.690 3.716 -18.661) 19.382 10.074 ( -7.498 1.459 17.096) 18.725 10.741 ( -1.351 1.483 -12.055) 12.221 11.277 ( -3.597 5.594 23.091) 24.030 11.669 ( -14.424 -0.553 -9.599) 17.335 12.798 ( -5.480 8.445 -6.014) 11.727 12.922 ( 6.995 1.790 0.257) 7.225 13.287 ( -5.059 6.671 7.585) 11.297 13.624 ( 6.958 -14.872 0.608) 16.430 14.929 ( -1.373 -1.857 1.938) 3.014 15.077 ( 0.317 -1.610 -6.374) 6.582 17.910 ( -8.009 1.716 -12.678) 15.094 18.491 ( 22.690 1.636 -5.242) 23.345 18.710 ( -25.237 -1.543 3.306) 25.500 19.567 ( 15.152 1.777 1.111) 15.296 21.291 ( 21.463 -3.080 28.969) 36.185 21.369 ( -20.544 -2.400 -23.481) 31.292 23.997 ( -4.643 0.109 -10.142) 11.155 24.064 ( 10.280 -0.780 4.131) 11.106 ======================= Grid point 416 (228/260) ======================= q-point: (-0.30 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 0.778 2.893 12.752) 13.099 2.711 ( 3.669 6.798 4.868) 9.131 2.919 ( 6.694 0.234 6.324) 9.212 3.072 ( 5.506 -10.213 2.789) 11.934 3.479 ( 11.317 10.859 -3.148) 15.997 3.596 ( 0.960 1.585 -5.260) 5.577 3.748 ( 5.668 -2.845 -9.757) 11.637 3.865 ( 6.609 -9.714 1.386) 11.831 5.347 ( -13.175 3.318 5.757) 14.756 5.547 ( -7.982 0.789 3.897) 8.918 5.783 ( -8.792 -0.564 5.261) 10.261 5.964 ( -2.513 1.631 -4.901) 5.744 7.013 ( -15.407 -1.731 15.195) 21.708 7.353 ( 1.630 1.874 -12.616) 12.859 7.908 ( 11.728 4.729 7.296) 14.599 8.546 ( 3.776 1.278 13.447) 14.025 8.685 ( 4.452 -1.571 3.696) 5.995 9.181 ( 0.275 3.290 -12.638) 13.062 9.909 ( -12.636 1.709 15.003) 19.689 10.627 ( -6.893 0.485 -13.341) 15.024 11.181 ( -10.691 9.369 19.278) 23.952 11.386 ( -12.287 -4.403 -1.153) 13.103 12.687 ( -3.898 13.400 -6.475) 15.385 13.035 ( 2.378 -14.542 0.922) 14.764 13.247 ( 0.792 21.292 5.281) 21.952 13.765 ( 7.324 -18.493 -3.266) 20.157 14.892 ( -2.761 -1.733 2.406) 4.051 15.059 ( -0.481 -1.512 -7.834) 7.993 17.776 ( -4.198 6.776 -15.850) 17.741 18.140 ( -24.666 -9.926 2.075) 26.669 18.992 ( 22.510 0.995 -3.749) 22.842 19.765 ( 3.967 -0.281 -2.185) 4.537 21.012 ( -8.674 0.723 -14.044) 16.522 21.737 ( 14.601 -1.897 25.790) 29.698 23.913 ( 0.006 -0.094 -10.653) 10.653 24.258 ( 8.027 0.423 2.678) 8.472 ======================= Grid point 417 (229/260) ======================= q-point: (-0.20 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 1.326 1.101 16.189) 16.281 2.824 ( 5.547 14.818 5.743) 16.832 3.043 ( 4.546 -0.856 4.191) 6.242 3.243 ( 9.200 -12.732 11.001) 19.177 3.476 ( -7.459 3.699 -4.829) 9.625 3.746 ( 14.739 15.584 -5.456) 22.133 3.857 ( 6.167 -1.526 -6.899) 9.379 4.078 ( 12.901 -14.640 0.486) 19.519 5.102 ( -12.486 4.845 6.450) 14.866 5.362 ( -10.823 0.197 1.916) 10.993 5.591 ( -11.706 -3.055 7.349) 14.155 5.887 ( -3.618 0.968 -7.879) 8.724 6.788 ( -10.775 -0.789 18.366) 21.308 7.411 ( 7.341 3.282 -17.049) 18.850 8.137 ( 8.894 6.324 9.912) 14.742 8.633 ( -1.548 -5.256 21.368) 22.060 8.757 ( 5.557 4.479 -3.483) 7.942 9.206 ( 4.826 2.900 -7.898) 9.700 9.673 ( -13.750 2.020 13.188) 19.159 10.421 ( -10.635 -1.276 -13.788) 17.459 11.000 ( -9.957 10.661 14.118) 20.300 11.181 ( -9.331 -6.361 6.576) 13.068 12.627 ( -0.598 16.504 -5.710) 17.474 13.002 ( -4.669 -8.068 1.434) 9.431 13.345 ( 6.858 13.108 1.518) 14.871 13.883 ( 5.519 -20.100 -7.388) 22.115 14.837 ( -3.265 -1.259 2.523) 4.314 15.023 ( -1.168 -1.548 -8.933) 9.141 17.505 ( -20.920 4.450 4.755) 21.911 17.879 ( -1.597 -12.037 -19.811) 23.236 19.374 ( 17.062 1.275 -4.843) 17.782 19.727 ( -4.805 -1.595 -3.530) 6.172 20.987 ( 6.877 2.340 -2.530) 7.692 21.925 ( -0.886 -1.049 16.372) 16.430 23.973 ( 7.828 0.668 -5.868) 9.806 24.387 ( 4.574 1.154 0.900) 4.803 ======================= Grid point 418 (230/260) ======================= q-point: (-0.10 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 1.635 1.984 16.884) 17.079 2.917 ( 2.436 11.905 5.965) 13.537 3.139 ( 4.541 -0.161 0.410) 4.562 3.255 ( -9.060 3.483 -0.118) 9.707 3.489 ( 7.468 -7.891 10.086) 14.824 3.959 ( 5.002 -1.456 -4.544) 6.913 4.019 ( 13.012 14.098 -1.788) 19.268 4.305 ( 9.121 -12.095 0.669) 15.163 4.909 ( -8.162 7.394 5.224) 12.190 5.161 ( -8.981 -1.393 0.083) 9.088 5.389 ( -9.654 -5.513 8.892) 14.236 5.794 ( -3.344 0.191 -10.240) 10.774 6.680 ( -5.177 1.078 21.516) 22.156 7.524 ( 7.041 4.540 -20.029) 21.711 8.288 ( 3.903 6.915 11.705) 14.144 8.614 ( -0.394 -4.253 4.878) 6.483 8.889 ( 4.717 4.680 13.060) 14.653 9.328 ( 7.174 3.560 -3.976) 8.942 9.475 ( -6.115 0.949 7.753) 9.920 10.148 ( -14.100 -2.942 -12.714) 19.213 10.896 ( -3.063 9.344 11.630) 15.230 11.055 ( -4.774 -6.107 7.172) 10.561 12.640 ( 3.074 16.332 -4.082) 17.112 12.890 ( -6.553 1.795 -0.197) 6.797 13.485 ( 6.700 2.799 0.711) 7.296 13.933 ( 1.374 -19.864 -10.767) 22.636 14.785 ( -2.301 -1.155 2.200) 3.386 14.978 ( -0.966 -1.375 -9.343) 9.493 17.134 ( -17.853 -3.697 14.598) 23.356 17.811 ( -0.799 -6.205 -28.103) 28.791 19.615 ( 4.091 2.053 -1.481) 4.810 19.663 ( 3.815 -2.459 -3.159) 5.530 21.209 ( 14.720 1.288 1.656) 14.869 21.803 ( -13.048 -0.622 7.799) 15.214 24.153 ( 9.930 1.508 -0.988) 10.093 24.438 ( 0.444 1.666 -0.644) 1.841 ======================= Grid point 459 (231/260) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -1.140 0.000 -6.526) 6.625 2.058 ( 1.140 0.000 6.526) 6.625 2.762 ( -6.015 0.000 -5.806) 8.360 2.762 ( 6.015 0.000 5.806) 8.360 3.721 ( -1.352 0.000 -3.839) 4.070 3.721 ( 1.352 0.000 3.839) 4.070 4.497 ( -3.953 0.000 -1.140) 4.114 4.497 ( 3.953 0.000 1.140) 4.114 4.939 ( 3.680 0.000 -6.800) 7.732 4.939 ( -3.680 0.000 6.800) 7.732 5.733 ( 1.135 0.000 -3.130) 3.329 5.733 ( -1.135 0.000 3.130) 3.329 6.584 ( 7.876 0.000 -15.476) 17.365 6.584 ( -7.876 0.000 15.476) 17.365 7.844 ( -3.956 0.000 -14.640) 15.166 7.844 ( 3.956 0.000 14.640) 15.166 8.547 ( 13.756 0.000 -13.521) 19.288 8.547 ( -13.756 0.000 13.521) 19.288 10.199 ( -19.751 0.000 -19.154) 27.513 10.199 ( 19.751 0.000 19.154) 27.513 10.505 ( -0.136 0.000 -1.976) 1.981 10.505 ( 0.136 0.000 1.976) 1.981 11.831 ( 5.729 0.000 -8.153) 9.965 11.831 ( -5.729 0.000 8.153) 9.965 14.415 ( -6.095 0.000 -12.589) 13.987 14.415 ( 6.095 0.000 12.589) 13.987 15.234 ( -8.083 0.000 2.613) 8.495 15.234 ( 8.083 0.000 -2.613) 8.495 18.321 ( -34.492 0.000 4.465) 34.780 18.321 ( 34.492 0.000 -4.465) 34.780 19.786 ( -0.598 0.000 -1.521) 1.634 19.786 ( 0.598 0.000 1.521) 1.634 21.677 ( -36.147 0.000 9.391) 37.347 21.677 ( 36.147 0.000 -9.391) 37.347 23.831 ( -6.422 0.000 -4.901) 8.078 23.831 ( 6.422 0.000 4.901) 8.078 ======================= Grid point 461 (232/260) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 7.368 0.000 -5.139) 8.983 2.185 ( 9.747 0.000 5.883) 11.385 2.637 ( -4.782 0.000 -10.033) 11.114 2.908 ( 8.324 0.000 -0.085) 8.324 3.611 ( -8.345 0.000 -5.413) 9.947 3.686 ( -5.143 0.000 4.007) 6.520 4.420 ( -1.951 0.000 -11.597) 11.760 4.538 ( 0.507 0.000 -11.588) 11.599 4.954 ( 2.193 0.000 19.873) 19.993 5.042 ( 6.338 0.000 4.695) 7.887 5.710 ( -1.572 0.000 0.192) 1.583 5.740 ( 0.612 0.000 -5.905) 5.937 6.531 ( -1.597 0.000 16.442) 16.519 6.772 ( 13.991 0.000 -11.316) 17.994 7.736 ( -3.606 0.000 -11.128) 11.698 7.920 ( -0.884 0.000 14.469) 14.496 8.414 ( -2.151 0.000 16.983) 17.119 8.843 ( 18.733 0.000 -15.537) 24.338 9.801 ( -15.677 0.000 -19.384) 24.930 10.504 ( 1.041 0.000 9.969) 10.024 10.524 ( 2.906 0.000 -3.658) 4.671 10.677 ( 22.512 0.000 7.058) 23.592 11.719 ( -7.231 0.000 5.662) 9.184 11.911 ( 5.221 0.000 -14.112) 15.047 14.274 ( -5.686 0.000 -10.983) 12.367 14.571 ( 6.371 0.000 13.614) 15.031 15.057 ( -10.049 0.000 0.878) 10.087 15.362 ( 5.808 0.000 -4.472) 7.330 17.723 ( -27.191 0.000 12.928) 30.108 18.982 ( 29.332 0.000 3.047) 29.490 19.717 ( -6.030 0.000 -2.060) 6.372 19.768 ( -1.204 0.000 3.530) 3.730 20.935 ( -39.058 0.000 4.152) 39.278 22.257 ( 24.767 0.000 -16.748) 29.898 23.708 ( -4.305 0.000 -4.075) 5.928 23.966 ( 6.100 0.000 3.309) 6.940 ======================= Grid point 462 (233/260) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 11.690 0.000 -2.369) 11.927 2.402 ( 7.957 0.000 -11.590) 14.059 2.576 ( 3.961 0.000 5.037) 6.408 3.088 ( 10.075 0.000 -4.540) 11.051 3.399 ( -10.378 0.000 -8.741) 13.568 3.568 ( -7.144 0.000 3.310) 7.874 4.362 ( -1.782 0.000 -10.419) 10.570 4.465 ( -5.081 0.000 -10.302) 11.487 5.085 ( 5.555 0.000 18.495) 19.312 5.191 ( 6.903 0.000 8.130) 10.665 5.669 ( -2.325 0.000 -2.264) 3.245 5.728 ( -0.297 0.000 -7.528) 7.534 6.581 ( 2.544 0.000 15.303) 15.513 7.047 ( 14.509 0.000 -5.613) 15.557 7.659 ( -1.690 0.000 -7.907) 8.085 7.880 ( -4.580 0.000 9.791) 10.809 8.523 ( 6.441 0.000 24.657) 25.484 9.153 ( 14.224 0.000 -23.823) 27.746 9.529 ( -5.553 0.000 -13.904) 14.972 10.522 ( -0.801 0.000 5.501) 5.559 10.613 ( 7.334 0.000 -4.114) 8.408 11.154 ( 23.101 0.000 7.281) 24.221 11.579 ( -8.277 0.000 7.864) 11.417 11.977 ( 5.801 0.000 -21.525) 22.293 14.138 ( -5.785 0.000 -8.615) 10.377 14.657 ( -5.259 0.000 12.281) 13.359 14.910 ( -0.596 0.000 2.201) 2.280 15.438 ( 3.075 0.000 -6.232) 6.949 17.344 ( -14.230 0.000 16.466) 21.762 19.228 ( -6.718 0.000 -1.988) 7.006 19.549 ( -10.010 0.000 -3.560) 10.625 19.836 ( -4.944 0.000 3.386) 5.992 20.364 ( -5.815 0.000 14.965) 16.056 22.539 ( 8.265 0.000 -24.171) 25.545 23.675 ( 2.096 0.000 -0.365) 2.127 24.077 ( 4.522 0.000 0.822) 4.596 ======================= Grid point 463 (234/260) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 1.954 0.000 -18.693) 18.795 2.532 ( 11.891 0.000 0.564) 11.905 2.841 ( 14.609 0.000 14.703) 20.726 3.091 ( -10.926 0.000 -3.968) 11.624 3.375 ( 12.963 0.000 -13.783) 18.921 3.441 ( -5.573 0.000 1.252) 5.712 4.285 ( -4.941 0.000 -3.260) 5.920 4.299 ( -9.642 0.000 -7.686) 12.330 5.234 ( 5.524 0.000 13.930) 14.985 5.336 ( 5.797 0.000 7.238) 9.273 5.612 ( -2.582 0.000 -3.886) 4.666 5.693 ( -1.389 0.000 -7.771) 7.894 6.692 ( 5.315 0.000 13.622) 14.622 7.235 ( 3.815 0.000 -3.874) 5.438 7.661 ( 3.878 0.000 -3.391) 5.152 7.824 ( -2.653 0.000 6.358) 6.890 8.720 ( 6.473 0.000 29.074) 29.786 9.166 ( -1.954 0.000 -30.292) 30.355 9.626 ( 13.290 0.000 -9.327) 16.237 10.481 ( -4.935 0.000 3.792) 6.224 10.795 ( 11.891 0.000 -4.786) 12.818 11.443 ( -7.473 0.000 11.567) 13.771 11.589 ( 18.557 0.000 8.949) 20.602 12.040 ( 6.198 0.000 -27.561) 28.250 14.015 ( -4.610 0.000 -5.859) 7.455 14.445 ( -14.577 0.000 7.659) 16.466 15.023 ( 6.961 0.000 7.637) 10.333 15.450 ( -0.311 0.000 -7.911) 7.917 17.251 ( 1.126 0.000 15.001) 15.043 18.898 ( -22.627 0.000 -5.978) 23.404 19.327 ( -10.950 0.000 -5.338) 12.182 19.441 ( -21.783 0.000 0.238) 21.784 20.773 ( 26.280 0.000 27.964) 38.375 22.492 ( -5.636 0.000 -28.314) 28.869 23.779 ( 7.223 0.000 2.362) 7.599 24.140 ( 1.851 0.000 -1.568) 2.426 ======================= Grid point 464 (235/260) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 6.430 0.000 -11.175) 12.893 2.734 ( 5.106 0.000 0.653) 5.148 2.870 ( -6.529 0.000 -1.622) 6.728 3.060 ( 0.878 0.000 8.792) 8.836 3.443 ( 8.702 0.000 3.687) 9.451 3.637 ( 15.667 0.000 -14.410) 21.286 4.053 ( -13.447 0.000 -6.543) 14.954 4.142 ( -9.854 0.000 4.421) 10.800 5.359 ( 4.310 0.000 10.020) 10.908 5.442 ( 3.265 0.000 3.042) 4.462 5.560 ( -1.462 0.000 -2.758) 3.122 5.639 ( -2.373 0.000 -6.669) 7.078 6.848 ( 7.451 0.000 11.605) 13.791 7.189 ( -5.624 0.000 -6.747) 8.784 7.754 ( 4.161 0.000 0.448) 4.185 7.806 ( -0.580 0.000 3.333) 3.384 8.891 ( 3.629 0.000 30.443) 30.659 9.072 ( -0.314 0.000 -29.361) 29.363 9.873 ( 13.664 0.000 -9.800) 16.815 10.339 ( -10.143 0.000 3.792) 10.828 11.028 ( 12.284 0.000 -7.856) 14.581 11.336 ( -7.019 0.000 15.578) 17.086 11.903 ( 10.477 0.000 12.886) 16.608 12.083 ( 4.321 0.000 -28.134) 28.464 13.951 ( -0.166 0.000 -4.147) 4.150 14.187 ( -12.574 0.000 6.627) 14.214 15.168 ( 5.731 0.000 8.942) 10.621 15.393 ( -3.217 0.000 -9.159) 9.708 17.448 ( 15.258 0.000 11.642) 19.193 18.389 ( -26.243 0.000 -7.887) 27.403 19.121 ( -10.995 0.000 4.164) 11.757 19.122 ( -7.670 0.000 -6.514) 10.063 21.342 ( 23.857 0.000 30.444) 38.678 22.230 ( -13.561 0.000 -29.945) 32.873 23.934 ( 7.279 0.000 3.499) 8.076 24.138 ( -1.560 0.000 -3.244) 3.599 ======================= Grid point 465 (236/260) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( -9.752 0.000 3.162) 10.252 2.604 ( 9.752 0.000 -3.162) 10.252 2.970 ( -8.038 0.000 0.760) 8.074 2.970 ( 8.038 0.000 -0.760) 8.074 3.725 ( -14.034 0.000 -10.230) 17.367 3.725 ( 14.034 0.000 10.230) 17.367 3.926 ( 12.435 0.000 -7.973) 14.771 3.926 ( -12.435 0.000 7.973) 14.771 5.445 ( -2.214 0.000 -6.282) 6.661 5.445 ( 2.214 0.000 6.282) 6.661 5.576 ( -2.411 0.000 -4.536) 5.137 5.576 ( 2.411 0.000 4.536) 5.137 7.029 ( -8.108 0.000 -9.276) 12.320 7.029 ( 8.108 0.000 9.276) 12.320 7.801 ( 0.876 0.000 -0.556) 1.038 7.801 ( -0.876 0.000 0.556) 1.038 9.001 ( -0.678 0.000 -29.938) 29.945 9.001 ( 0.678 0.000 29.938) 29.945 10.118 ( 13.052 0.000 -6.684) 14.664 10.118 ( -13.052 0.000 6.684) 14.664 11.216 ( 9.102 0.000 -13.087) 15.941 11.216 ( -9.102 0.000 13.087) 15.941 12.059 ( -1.618 0.000 -21.430) 21.491 12.059 ( 1.618 0.000 21.430) 21.491 14.005 ( 6.799 0.000 -4.899) 8.380 14.005 ( -6.799 0.000 4.899) 8.380 15.291 ( -4.714 0.000 -9.501) 10.606 15.291 ( 4.714 0.000 9.501) 10.606 17.868 ( -23.886 0.000 -9.114) 25.566 17.868 ( 23.886 0.000 9.114) 25.566 19.026 ( 0.149 0.000 -6.239) 6.241 19.026 ( -0.149 0.000 6.239) 6.241 21.836 ( -19.151 0.000 -30.755) 36.230 21.836 ( 19.151 0.000 30.755) 36.230 24.065 ( -4.918 0.000 -3.876) 6.261 24.065 ( 4.918 0.000 3.876) 6.261 ======================= Grid point 471 (237/260) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -3.084 10.173 -6.216) 12.315 2.169 ( 3.084 10.173 6.216) 12.315 2.833 ( -3.161 6.222 -8.035) 10.642 2.833 ( 3.161 6.222 8.035) 10.642 3.693 ( -2.237 -1.990 -4.548) 5.445 3.693 ( 2.237 -1.990 4.548) 5.445 4.527 ( -5.467 2.235 -6.784) 8.994 4.527 ( 5.467 2.235 6.784) 8.994 4.909 ( 1.915 -2.705 -9.157) 9.739 4.909 ( -1.915 -2.705 9.157) 9.739 5.716 ( 1.629 -1.549 -3.421) 4.094 5.716 ( -1.629 -1.549 3.421) 4.094 6.647 ( 7.274 5.851 -16.678) 19.113 6.647 ( -7.274 5.851 16.678) 19.113 7.954 ( -4.333 10.131 -13.182) 17.181 7.954 ( 4.333 10.131 13.182) 17.181 8.614 ( 12.403 6.166 -10.609) 17.447 8.614 ( -12.403 6.166 10.609) 17.447 10.104 ( -14.675 -7.185 -15.761) 22.702 10.104 ( 14.675 -7.185 15.761) 22.702 10.632 ( -5.604 9.928 -5.789) 12.786 10.632 ( 5.604 9.928 5.789) 12.786 11.875 ( 2.745 4.606 -8.903) 10.393 11.875 ( -2.745 4.606 8.903) 10.393 14.381 ( -6.186 -3.511 -13.198) 14.993 14.381 ( 6.186 -3.511 13.198) 14.993 15.179 ( -0.847 -5.056 -1.470) 5.333 15.179 ( 0.847 -5.056 1.470) 5.333 18.183 ( -18.487 -12.665 -3.712) 22.714 18.183 ( 18.487 -12.665 3.712) 22.714 19.765 ( -0.724 -1.856 -1.938) 2.779 19.765 ( 0.724 -1.856 1.938) 2.779 21.644 ( -31.221 -2.700 6.558) 32.017 21.644 ( 31.221 -2.700 -6.558) 32.017 23.923 ( -6.355 8.039 -3.377) 10.789 23.923 ( 6.355 8.039 3.377) 10.789 ======================= Grid point 473 (238/260) ======================= q-point: ( 0.10 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 3.856 6.209 -3.369) 8.048 2.338 ( 11.122 12.187 3.945) 16.964 2.721 ( -4.664 7.527 -8.773) 12.464 2.950 ( 6.596 3.617 -0.346) 7.530 3.571 ( -8.519 -3.118 -4.884) 10.303 3.679 ( -4.433 -0.489 4.803) 6.554 4.394 ( -4.852 -1.402 -14.057) 14.937 4.611 ( 2.086 4.944 -10.581) 11.864 4.955 ( 3.607 0.374 19.293) 19.631 4.978 ( 5.014 -6.020 5.494) 9.569 5.675 ( -1.903 -1.915 -0.171) 2.706 5.759 ( 2.545 0.438 -4.485) 5.175 6.597 ( -2.129 6.079 17.292) 18.452 6.813 ( 12.874 3.860 -12.978) 18.683 7.831 ( -4.757 8.863 -8.901) 13.432 8.047 ( 0.359 11.675 11.161) 16.156 8.481 ( -1.872 6.039 13.315) 14.740 8.900 ( 17.566 5.240 -11.692) 21.742 9.747 ( -15.743 -5.032 -16.210) 23.150 10.378 ( 9.209 -7.939 9.500) 15.430 10.578 ( 0.837 6.412 -6.788) 9.375 10.871 ( 17.118 12.526 6.232) 22.108 11.726 ( -8.405 1.484 2.915) 9.019 11.998 ( 6.662 8.182 -9.815) 14.410 14.226 ( -6.419 -4.662 -10.698) 13.319 14.537 ( 5.655 -3.634 13.745) 15.301 15.012 ( -8.860 -3.941 0.692) 9.722 15.310 ( 5.908 -5.020 -4.232) 8.832 17.641 ( -24.387 -7.400 12.544) 28.405 18.807 ( 29.401 -16.996 2.917) 34.085 19.618 ( -11.192 -5.129 -0.268) 12.314 19.794 ( 0.026 -0.085 0.637) 0.643 20.975 ( -33.892 3.549 3.480) 34.255 22.198 ( 24.231 -5.198 -14.136) 28.531 23.793 ( -5.617 7.303 -2.813) 9.633 24.045 ( 5.217 6.926 1.896) 8.876 ======================= Grid point 474 (239/260) ======================= q-point: ( 0.20 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 9.218 1.784 -3.348) 9.968 2.533 ( 3.259 9.373 -12.665) 16.089 2.682 ( 7.232 9.644 7.769) 14.341 3.093 ( 8.097 0.290 -4.506) 9.271 3.363 ( -10.165 -3.128 -7.519) 13.025 3.570 ( -6.910 0.241 3.791) 7.886 4.266 ( -5.680 -5.816 -9.680) 12.641 4.564 ( -3.880 5.444 -11.652) 13.433 5.084 ( 5.484 -3.280 12.735) 14.249 5.143 ( 8.440 -0.964 12.939) 15.479 5.639 ( -1.427 -0.399 -2.700) 3.080 5.787 ( 1.277 3.122 -5.524) 6.472 6.632 ( 1.645 4.797 16.106) 16.886 7.067 ( 14.158 1.872 -7.479) 16.122 7.733 ( -3.345 6.988 -5.622) 9.572 8.016 ( -4.163 12.409 6.246) 14.503 8.587 ( 6.739 5.698 19.499) 21.404 9.176 ( 9.011 1.443 -19.421) 21.458 9.486 ( -2.730 -3.012 -10.092) 10.880 10.529 ( 3.169 -2.798 8.336) 9.347 10.625 ( 7.204 5.329 -10.343) 13.685 11.276 ( 21.176 9.798 4.221) 23.711 11.570 ( -8.190 0.129 7.164) 10.881 12.093 ( 6.172 10.858 -17.207) 21.262 14.079 ( -6.270 -5.770 -8.378) 11.950 14.588 ( -6.532 -6.689 12.087) 15.281 14.909 ( 1.025 -0.075 2.413) 2.623 15.388 ( 3.126 -4.846 -5.886) 8.240 17.310 ( -12.142 -2.942 16.189) 20.449 19.185 ( 4.083 -10.446 0.071) 11.216 19.327 ( -16.987 -11.746 -3.041) 20.875 19.821 ( -0.778 -1.632 4.444) 4.798 20.474 ( -10.885 8.593 9.724) 16.938 22.494 ( 9.380 -4.254 -21.928) 24.226 23.721 ( -0.632 3.951 0.818) 4.084 24.131 ( 3.238 4.804 -0.196) 5.796 ======================= Grid point 475 (240/260) ======================= q-point: ( 0.30 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 4.192 1.265 -14.886) 15.517 2.555 ( 7.398 3.472 -0.718) 8.204 2.942 ( 12.398 8.370 11.781) 19.041 3.071 ( -10.733 -1.634 -4.184) 11.635 3.322 ( 8.441 -4.362 -10.582) 14.222 3.458 ( -2.796 0.750 0.191) 2.901 4.116 ( -8.210 -8.838 -4.104) 12.742 4.415 ( -8.935 3.271 -6.142) 11.325 5.226 ( 6.161 -2.149 9.800) 11.774 5.335 ( 8.127 1.930 8.760) 12.105 5.605 ( -1.344 1.826 -4.078) 4.666 5.779 ( -0.929 5.278 -5.376) 7.590 6.731 ( 4.835 3.625 14.325) 15.547 7.264 ( 5.236 2.545 -4.808) 7.551 7.699 ( 1.726 4.080 -1.335) 4.627 7.950 ( -3.261 11.230 2.466) 11.951 8.768 ( 5.880 4.165 22.006) 23.155 9.091 ( -5.068 -6.616 -21.843) 23.379 9.661 ( 14.959 3.810 -7.989) 17.381 10.526 ( -3.970 2.525 1.700) 5.002 10.818 ( 13.000 3.483 -6.820) 15.088 11.447 ( -5.670 0.482 10.011) 11.515 11.682 ( 17.365 8.248 8.324) 20.949 12.159 ( 5.267 11.486 -24.087) 27.200 13.951 ( -4.679 -6.236 -5.712) 9.665 14.384 ( -13.902 -5.812 8.240) 17.174 15.017 ( 6.323 -0.548 6.887) 9.365 15.402 ( -0.137 -4.545 -7.398) 8.684 17.249 ( 2.374 0.085 15.182) 15.366 18.888 ( -22.849 -1.592 -5.623) 23.584 19.127 ( -7.987 -12.042 -2.764) 14.712 19.589 ( -17.800 7.561 -1.120) 19.371 20.727 ( 23.172 -3.491 25.133) 34.363 22.467 ( -5.441 -2.586 -27.540) 28.192 23.781 ( 5.518 0.042 4.045) 6.842 24.167 ( 0.603 2.427 -2.168) 3.310 ======================= Grid point 476 (241/260) ======================= q-point: ( 0.40 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 5.421 1.391 -10.853) 12.211 2.730 ( 4.200 -0.035 1.517) 4.465 2.860 ( -5.118 -0.954 -1.419) 5.396 3.102 ( -1.647 3.470 5.355) 6.590 3.408 ( 8.153 -3.298 2.177) 9.060 3.603 ( 13.428 -3.523 -9.781) 16.982 3.925 ( -9.964 -7.943 -1.861) 12.878 4.192 ( -12.859 0.664 -0.123) 12.876 5.362 ( 5.471 0.417 7.345) 9.168 5.485 ( 4.565 3.932 2.666) 6.589 5.573 ( -0.152 3.355 -2.235) 4.034 5.727 ( -3.096 6.128 -4.469) 8.192 6.884 ( 7.443 3.313 12.198) 14.669 7.234 ( -5.489 4.052 -7.051) 9.811 7.780 ( 4.552 2.743 2.946) 6.076 7.901 ( -2.079 8.300 -0.637) 8.580 8.898 ( 2.184 0.365 20.386) 20.506 8.988 ( -0.589 -6.630 -19.153) 20.277 9.928 ( 13.880 5.218 -7.696) 16.707 10.391 ( -9.640 3.843 1.278) 10.456 11.067 ( 13.255 4.204 -8.738) 16.424 11.374 ( -5.535 3.191 15.683) 16.934 11.979 ( 10.131 6.922 11.563) 16.860 12.182 ( 2.718 9.731 -26.020) 27.913 13.890 ( 0.159 -5.863 -4.189) 7.207 14.134 ( -12.469 -4.927 7.010) 15.129 15.150 ( 5.229 -1.744 8.246) 9.919 15.353 ( -2.794 -3.827 -8.495) 9.727 17.465 ( 15.738 1.633 11.932) 19.817 18.396 ( -25.273 0.627 -7.150) 26.273 19.003 ( -2.609 -5.230 -1.405) 6.011 19.260 ( -14.357 7.028 -1.369) 16.043 21.273 ( 24.169 -6.166 29.288) 38.470 22.196 ( -14.524 -3.305 -29.694) 33.220 23.921 ( 6.954 -1.325 4.817) 8.563 24.143 ( -2.449 0.416 -3.693) 4.451 ======================= Grid point 477 (242/260) ======================= q-point: ( 0.50 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 1.072 -0.142 -0.867) 1.386 2.602 ( -1.072 -0.142 0.867) 1.386 2.980 ( -5.176 0.723 -3.972) 6.564 2.980 ( 5.176 0.723 3.972) 6.564 3.637 ( -5.772 -7.357 -11.132) 14.539 3.637 ( 5.772 -7.357 11.132) 14.539 3.927 ( 3.978 -0.685 -1.962) 4.488 3.927 ( -3.978 -0.685 1.962) 4.488 5.468 ( -3.200 2.637 -6.112) 7.385 5.468 ( 3.200 2.637 6.112) 7.385 5.641 ( -3.799 5.586 -4.632) 8.191 5.641 ( 3.799 5.586 4.632) 8.191 7.069 ( -8.381 3.713 -9.715) 13.357 7.069 ( 8.381 3.713 9.715) 13.357 7.856 ( -0.954 4.900 -6.014) 7.816 7.856 ( 0.954 4.900 6.014) 7.816 8.954 ( 1.167 -3.782 -21.013) 21.382 8.954 ( -1.167 -3.782 21.013) 21.382 10.175 ( 1.416 4.923 -9.164) 10.498 10.175 ( -1.416 4.923 9.164) 10.498 11.268 ( 8.456 4.643 -14.804) 17.670 11.268 ( -8.456 4.643 14.804) 17.670 12.135 ( -2.433 7.406 -20.042) 21.504 12.135 ( 2.433 7.406 20.042) 21.504 13.951 ( 7.110 -5.109 -5.180) 10.173 13.951 ( -7.110 -5.109 5.180) 10.173 15.262 ( -4.197 -2.792 -8.828) 10.165 15.262 ( 4.197 -2.792 8.828) 10.165 17.887 ( -23.603 1.813 -9.048) 25.343 17.887 ( 23.603 1.813 9.048) 25.343 19.044 ( -2.511 1.687 -5.115) 5.943 19.044 ( 2.511 1.687 5.115) 5.943 21.782 ( -20.221 -5.131 -30.329) 36.811 21.782 ( 20.221 -5.131 30.329) 36.811 24.056 ( -5.295 -0.917 -4.613) 7.082 24.056 ( 5.295 -0.917 4.613) 7.082 ======================= Grid point 483 (243/260) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -4.821 15.355 -5.886) 17.137 2.442 ( 4.821 15.355 5.886) 17.137 2.973 ( -1.426 6.123 -10.311) 12.077 2.973 ( 1.426 6.123 10.311) 12.077 3.679 ( -2.720 1.400 -6.687) 7.354 3.679 ( 2.720 1.400 6.687) 7.354 4.543 ( -8.009 -2.016 -13.104) 15.489 4.543 ( 8.009 -2.016 13.104) 15.489 4.860 ( -2.159 -0.784 -15.565) 15.734 4.860 ( 2.159 -0.784 15.565) 15.734 5.668 ( 2.647 -3.215 -4.738) 6.308 5.668 ( -2.647 -3.215 4.738) 6.308 6.808 ( 5.939 9.181 -19.439) 22.303 6.808 ( -5.939 9.181 19.439) 22.303 8.214 ( -3.092 13.532 -11.584) 18.080 8.214 ( 3.092 13.532 11.584) 18.080 8.786 ( 4.166 10.297 -1.854) 11.262 8.786 ( -4.166 10.297 1.854) 11.262 9.945 ( -13.406 -7.858 -12.088) 19.687 9.945 ( 13.406 -7.858 12.088) 19.687 10.845 ( -7.558 9.573 -11.161) 16.533 10.845 ( 7.558 9.573 11.161) 16.533 12.039 ( -1.782 11.763 -8.103) 14.395 12.039 ( 1.782 11.763 8.103) 14.395 14.257 ( -6.342 -8.966 -14.208) 17.957 14.257 ( 6.342 -8.966 14.208) 17.957 15.043 ( -1.437 -7.491 -2.524) 8.034 15.043 ( 1.437 -7.491 2.524) 8.034 17.850 ( -3.345 -18.105 -13.861) 23.046 17.850 ( 3.345 -18.105 13.861) 23.046 19.722 ( 0.502 -2.086 -3.034) 3.716 19.722 ( -0.502 -2.086 3.034) 3.716 21.591 ( -26.029 -2.115 3.692) 26.374 21.591 ( 26.029 -2.115 -3.692) 26.374 24.111 ( -6.096 9.084 -1.976) 11.117 24.111 ( 6.096 9.084 1.976) 11.117 ======================= Grid point 485 (244/260) ======================= q-point: ( 0.10 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -0.616 13.024 -2.754) 13.326 2.630 ( 10.819 15.275 3.127) 18.978 2.895 ( -3.313 7.500 -9.425) 12.492 3.033 ( 2.674 4.162 3.195) 5.889 3.526 ( -9.892 0.156 -4.509) 10.873 3.683 ( -4.124 1.013 5.678) 7.091 4.343 ( -8.978 -4.668 -14.565) 17.735 4.711 ( 5.813 4.995 -7.894) 11.002 4.803 ( -0.360 -10.038 3.330) 10.582 4.993 ( 7.371 3.113 17.288) 19.049 5.638 ( -0.302 -1.853 2.341) 3.001 5.744 ( 5.005 -2.039 -4.794) 7.224 6.763 ( -3.401 9.469 19.334) 21.796 6.920 ( 9.970 6.124 -16.823) 20.492 8.068 ( -6.899 13.061 -4.938) 15.575 8.345 ( 3.995 14.955 3.721) 15.921 8.640 ( -2.691 9.212 5.495) 11.059 9.048 ( 14.429 8.951 -3.404) 17.318 9.618 ( -15.171 -6.633 -10.327) 19.514 10.219 ( 11.030 -7.603 10.298) 16.897 10.757 ( 1.465 9.785 -15.262) 18.188 11.101 ( 15.766 8.415 5.055) 18.572 11.829 ( -10.405 9.923 2.652) 14.620 12.240 ( 10.010 15.089 -4.816) 18.736 14.076 ( -8.134 -10.121 -10.443) 16.663 14.398 ( 2.903 -10.383 13.921) 17.608 14.924 ( -4.576 -3.946 0.123) 6.044 15.164 ( 5.717 -8.648 -3.151) 10.835 17.454 ( -17.236 -9.670 11.920) 23.080 18.339 ( 24.069 -25.931 1.383) 35.407 19.554 ( -11.767 -1.322 0.441) 11.849 19.767 ( 0.265 -2.167 -0.869) 2.349 21.064 ( -25.530 4.711 2.345) 26.066 22.074 ( 22.191 -6.103 -9.214) 24.790 23.961 ( -8.178 8.007 -1.695) 11.570 24.209 ( 3.392 8.043 0.578) 8.748 ======================= Grid point 486 (245/260) ======================= q-point: ( 0.20 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 4.031 8.495 -3.175) 9.924 2.741 ( -2.246 9.821 -13.805) 17.091 2.917 ( 9.298 11.603 8.883) 17.320 3.103 ( 4.420 1.041 -1.706) 4.850 3.300 ( -11.159 -1.396 -5.916) 12.707 3.574 ( -7.255 -0.166 3.935) 8.255 4.130 ( -9.737 -7.976 -8.565) 15.225 4.613 ( -8.674 -3.027 -8.861) 12.764 4.968 ( 11.014 -2.422 4.900) 12.295 5.203 ( 9.704 4.441 13.846) 17.482 5.656 ( 1.315 1.405 0.817) 2.091 5.827 ( 4.173 0.509 -5.177) 6.669 6.764 ( -0.545 7.560 17.473) 19.046 7.119 ( 13.051 2.920 -12.255) 18.139 7.925 ( -6.499 10.831 -2.870) 12.954 8.337 ( -4.044 16.930 -0.295) 17.409 8.723 ( 7.011 6.602 8.009) 12.525 9.162 ( -7.787 -3.068 -9.133) 12.388 9.489 ( 10.517 4.613 -2.811) 11.823 10.427 ( 7.634 -6.017 8.234) 12.739 10.811 ( 7.240 10.677 -16.328) 20.809 11.423 ( 13.203 2.180 -6.383) 14.826 11.690 ( -2.121 13.868 13.427) 19.419 12.401 ( 7.915 18.260 -10.727) 22.608 13.898 ( -7.532 -11.820 -8.017) 16.147 14.389 ( -7.043 -12.322 11.991) 18.580 14.906 ( 2.648 -0.360 2.117) 3.409 15.245 ( 3.278 -8.683 -4.601) 10.359 17.246 ( -6.834 -2.604 15.942) 17.540 18.704 ( 10.341 -27.551 0.744) 29.437 19.281 ( -15.326 0.698 -1.439) 15.409 19.775 ( 0.660 -2.664 3.547) 4.484 20.663 ( -13.701 9.150 5.245) 17.291 22.378 ( 10.726 -6.384 -16.948) 21.048 23.811 ( -5.946 4.194 1.525) 7.434 24.247 ( 0.562 5.775 -1.001) 5.888 ======================= Grid point 487 (246/260) ======================= q-point: ( 0.30 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 3.942 3.598 -8.717) 10.221 2.678 ( 1.034 7.431 -5.739) 9.446 3.022 ( -9.224 -1.285 -0.773) 9.345 3.153 ( 5.914 9.601 4.080) 11.992 3.220 ( 5.867 -4.233 -5.347) 8.996 3.447 ( -4.731 -2.348 1.304) 5.441 3.930 ( -9.040 -9.138 -3.061) 13.213 4.388 ( -12.185 -6.430 -3.930) 14.327 5.199 ( 11.015 1.566 3.349) 11.619 5.419 ( 9.279 5.040 8.315) 13.440 5.680 ( 0.767 4.619 0.060) 4.683 5.870 ( 1.220 3.285 -4.684) 5.850 6.831 ( 3.630 5.752 15.254) 16.702 7.327 ( 8.496 3.183 -8.437) 12.390 7.821 ( -2.687 6.942 -0.589) 7.467 8.229 ( -6.098 13.899 -3.640) 15.608 8.838 ( 0.308 0.102 5.670) 5.679 8.978 ( -3.708 -0.759 -5.110) 6.359 9.781 ( 16.116 7.498 -2.292) 17.922 10.522 ( 0.117 -2.647 2.441) 3.603 10.967 ( 11.829 9.649 -10.753) 18.672 11.475 ( -1.341 2.636 0.847) 3.077 11.902 ( 14.289 13.020 10.137) 21.828 12.489 ( 3.910 19.426 -17.062) 26.150 13.759 ( -4.535 -12.373 -5.312) 14.208 14.216 ( -11.913 -10.165 9.236) 18.181 14.997 ( 4.797 -1.449 5.022) 7.095 15.270 ( 0.493 -7.972 -5.787) 9.863 17.267 ( 5.261 1.888 15.818) 16.776 18.740 ( -5.966 -13.591 -3.376) 15.222 18.970 ( -13.175 -1.972 -2.658) 13.584 19.701 ( -11.143 3.080 0.766) 11.587 20.679 ( 13.094 -0.257 18.476) 22.647 22.385 ( -5.129 -5.118 -25.375) 26.389 23.775 ( 1.672 -0.683 6.213) 6.470 24.228 ( -2.102 3.088 -2.663) 4.588 ======================= Grid point 488 (247/260) ======================= q-point: ( 0.40 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 3.512 1.924 -9.254) 10.083 2.751 ( -0.557 2.363 0.332) 2.450 2.832 ( -1.692 -1.569 -1.638) 2.830 3.165 ( -7.611 1.296 0.068) 7.721 3.321 ( 7.690 -4.537 -2.179) 9.191 3.491 ( 4.994 -6.436 2.881) 8.640 3.786 ( -3.267 -5.207 -1.459) 6.318 4.130 ( -13.168 -6.418 -1.159) 14.695 5.405 ( 8.836 4.054 3.837) 10.452 5.579 ( 4.312 4.670 0.744) 6.399 5.692 ( 1.439 7.249 2.040) 7.667 5.851 ( -2.162 5.412 -3.679) 6.892 6.975 ( 7.493 5.249 12.965) 15.868 7.342 ( -4.715 6.133 -8.199) 11.273 7.852 ( 4.883 3.325 2.041) 6.250 8.094 ( -6.182 8.656 -5.357) 11.909 8.820 ( 0.926 -4.772 0.613) 4.899 8.957 ( -1.709 2.420 0.655) 3.034 10.068 ( 13.321 7.722 -2.564) 15.609 10.455 ( -6.456 1.960 0.140) 6.749 11.198 ( 12.559 7.724 -6.350) 16.053 11.458 ( -2.032 5.197 6.730) 8.743 12.171 ( 10.072 11.422 10.572) 18.538 12.469 ( -1.499 16.985 -20.091) 26.351 13.717 ( 1.735 -10.631 -4.171) 11.551 13.995 ( -11.881 -8.239 7.692) 16.377 15.098 ( 3.952 -3.233 6.342) 8.142 15.243 ( -1.636 -6.600 -6.600) 9.476 17.517 ( 16.406 3.445 12.447) 20.879 18.412 ( -22.543 0.831 -5.028) 23.112 18.906 ( 5.090 -4.252 -2.174) 6.979 19.403 ( -16.767 6.624 -1.468) 18.088 21.120 ( 23.107 -7.755 26.715) 36.163 22.096 ( -16.634 -6.192 -29.165) 34.141 23.881 ( 6.467 -2.477 7.256) 10.030 24.153 ( -4.625 0.527 -4.395) 6.402 ======================= Grid point 489 (248/260) ======================= q-point: ( 0.50 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( -1.676 0.368 -0.333) 1.748 2.603 ( 1.676 0.368 0.333) 1.748 2.983 ( -5.823 -0.816 -5.349) 7.948 2.983 ( 5.823 -0.816 5.349) 7.948 3.467 ( 2.344 -8.249 -10.362) 13.450 3.467 ( -2.344 -8.249 10.362) 13.450 3.882 ( -6.520 -3.553 -2.625) 7.876 3.882 ( 6.520 -3.553 2.625) 7.876 5.553 ( -4.129 5.136 -4.912) 8.219 5.553 ( 4.129 5.136 4.912) 8.219 5.775 ( -3.774 6.771 -4.399) 8.913 5.775 ( 3.774 6.771 4.399) 8.913 7.170 ( -9.016 5.839 -10.554) 15.059 7.170 ( 9.016 5.839 10.554) 15.059 7.968 ( -1.175 4.771 -13.608) 14.468 7.968 ( 1.175 4.771 13.608) 14.468 8.888 ( 0.051 -1.700 -9.319) 9.473 8.888 ( -0.051 -1.700 9.319) 9.473 10.292 ( 0.466 5.911 -14.809) 15.952 10.292 ( -0.466 5.911 14.809) 15.952 11.387 ( 3.802 6.556 -18.560) 20.048 11.387 ( -3.802 6.556 18.560) 20.048 12.353 ( -5.615 13.046 -16.728) 21.945 12.353 ( 5.615 13.046 16.728) 21.945 13.807 ( 8.259 -8.405 -5.725) 13.101 13.807 ( -8.259 -8.405 5.725) 13.101 15.181 ( -2.814 -4.902 -7.085) 9.064 15.181 ( 2.813 -4.902 7.085) 9.064 17.937 ( -22.608 2.859 -8.473) 24.312 17.937 ( 22.608 2.859 8.473) 24.312 19.094 ( -10.354 3.037 -2.488) 11.073 19.094 ( 10.354 3.037 2.488) 11.073 21.639 ( -22.147 -8.205 -29.399) 37.711 21.639 ( 22.147 -8.205 29.399) 37.711 24.029 ( -6.468 -1.544 -6.206) 9.096 24.029 ( 6.468 -1.544 6.206) 9.096 ======================= Grid point 495 (249/260) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( -2.729 14.512 -7.129) 16.397 2.761 ( 2.729 14.512 7.129) 16.397 3.055 ( -2.171 1.982 -8.981) 9.449 3.055 ( 2.171 1.982 8.981) 9.449 3.754 ( -0.254 5.042 -8.462) 9.853 3.754 ( 0.254 5.042 8.462) 9.853 4.437 ( -8.359 -7.040 -13.513) 17.379 4.437 ( 8.359 -7.040 13.513) 17.379 4.896 ( -4.573 3.501 -14.539) 15.638 4.896 ( 4.573 3.501 14.539) 15.638 5.584 ( 2.918 -4.626 -8.022) 9.709 5.584 ( -2.918 -4.626 8.022) 9.709 6.998 ( 4.246 8.495 -22.479) 24.403 6.998 ( -4.246 8.495 22.479) 24.403 8.446 ( 0.490 7.952 -12.263) 14.624 8.446 ( -0.490 7.952 12.263) 14.624 9.033 ( -2.998 13.274 -6.090) 14.909 9.033 ( 2.998 13.274 6.090) 14.909 9.787 ( -13.454 -7.471 -7.817) 17.261 9.787 ( 13.454 -7.471 7.817) 17.261 10.995 ( -5.813 4.888 -7.948) 10.994 10.995 ( 5.813 4.888 7.948) 10.994 12.359 ( -8.340 18.415 -2.937) 20.428 12.359 ( 8.340 18.415 2.937) 20.428 14.002 ( -6.267 -15.393 -13.090) 21.156 14.002 ( 6.267 -15.393 13.090) 21.156 14.901 ( -0.581 -5.673 -3.765) 6.833 14.901 ( 0.581 -5.673 3.765) 6.833 17.500 ( 3.535 -14.496 -19.787) 24.783 17.500 ( -3.535 -14.496 19.787) 24.783 19.685 ( 2.140 -1.374 -3.920) 4.672 19.685 ( -2.140 -1.374 3.920) 4.672 21.561 ( -21.207 -0.817 1.936) 21.311 21.561 ( 21.207 -0.817 -1.936) 21.311 24.269 ( -5.833 5.911 -2.152) 8.579 24.269 ( 5.833 5.911 2.152) 8.579 ======================= Grid point 497 (250/260) ======================= q-point: ( 0.10 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -3.427 14.267 -0.539) 14.683 2.922 ( 6.719 10.389 -5.552) 13.561 2.991 ( -0.532 3.619 -2.915) 4.677 3.106 ( 1.208 2.802 6.155) 6.870 3.620 ( -10.005 8.471 -3.241) 13.504 3.709 ( -6.654 1.102 4.351) 8.026 4.192 ( -12.236 -9.049 -10.828) 18.677 4.567 ( -1.321 -11.801 4.338) 12.642 4.853 ( 5.645 7.933 -9.640) 13.702 5.066 ( 9.049 3.342 12.643) 15.902 5.593 ( 2.326 -2.447 6.623) 7.433 5.676 ( 7.074 -4.288 -6.702) 10.646 6.960 ( -4.805 8.913 21.246) 23.535 7.045 ( 6.356 5.460 -20.401) 22.055 8.323 ( -7.550 10.537 -3.080) 13.323 8.562 ( 6.850 5.377 -2.154) 8.971 8.873 ( -5.295 12.756 1.003) 13.848 9.245 ( 5.849 8.200 -0.642) 10.093 9.513 ( -7.521 -1.778 -4.220) 8.806 10.063 ( 12.117 -7.518 7.517) 16.120 10.940 ( 2.455 7.404 -12.251) 14.524 11.195 ( 12.496 1.217 -0.294) 12.559 12.154 ( -8.527 20.617 2.452) 22.445 12.594 ( 11.826 18.001 -0.701) 21.550 13.810 ( -9.528 -15.117 -10.244) 20.597 14.114 ( 1.060 -16.566 12.346) 20.688 14.860 ( -0.244 -2.242 -0.103) 2.257 14.982 ( 4.349 -8.205 -1.187) 9.362 17.286 ( -8.587 -5.755 12.949) 16.569 17.828 ( 18.195 -22.011 -1.653) 28.605 19.546 ( -10.104 0.256 1.698) 10.249 19.718 ( 0.102 -2.282 -2.070) 3.083 21.155 ( -19.319 3.860 1.536) 19.761 21.965 ( 19.289 -4.237 -5.226) 20.428 24.099 ( -10.383 5.099 -1.940) 11.729 24.350 ( 1.818 5.273 0.660) 5.616 ======================= Grid point 498 (251/260) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -1.090 11.963 -1.067) 12.060 2.871 ( -2.890 2.259 -17.286) 17.671 3.093 ( 1.929 0.030 3.074) 3.629 3.155 ( 2.965 9.686 9.707) 14.029 3.403 ( -8.865 11.081 -4.472) 14.879 3.545 ( -10.107 -2.982 1.133) 10.599 3.933 ( -11.381 -10.567 -4.856) 16.272 4.419 ( -11.255 -13.410 -2.310) 17.659 5.046 ( 12.731 7.545 -2.516) 15.012 5.291 ( 10.708 3.556 9.696) 14.877 5.680 ( 4.335 0.769 5.776) 7.263 5.807 ( 7.130 -2.273 -6.310) 9.789 6.924 ( -2.651 7.478 17.677) 19.376 7.173 ( 11.057 1.988 -16.995) 20.373 8.141 ( -9.778 9.197 -2.300) 13.619 8.617 ( -3.795 7.830 -5.407) 10.244 8.857 ( 3.616 7.400 2.829) 8.709 9.098 ( -10.524 -2.314 -4.033) 11.505 9.657 ( 14.412 10.724 1.371) 18.016 10.295 ( 9.471 -6.779 6.269) 13.227 11.009 ( 6.574 7.691 -10.828) 14.819 11.433 ( 11.399 0.104 -10.605) 15.570 12.079 ( 0.776 22.247 8.335) 23.770 12.804 ( 9.599 19.435 -4.470) 22.132 13.599 ( -9.250 -16.444 -7.906) 20.457 14.096 ( -5.194 -15.750 10.670) 19.721 14.891 ( 2.804 -1.031 1.481) 3.334 15.054 ( 3.273 -8.965 -2.393) 9.839 17.228 ( -0.814 1.226 17.322) 17.384 18.167 ( 15.770 -23.247 -1.183) 28.116 19.300 ( -15.089 0.977 0.220) 15.123 19.721 ( 0.922 -2.356 1.980) 3.213 20.834 ( -13.150 7.050 3.437) 15.312 22.253 ( 10.679 -5.358 -12.193) 17.071 23.880 ( -10.484 2.397 0.930) 10.794 24.349 ( -1.726 3.837 -0.840) 4.290 ======================= Grid point 499 (252/260) ======================= q-point: ( 0.30 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -1.329 7.281 -5.892) 9.460 2.798 ( -0.115 2.778 -11.446) 11.778 3.020 ( -9.823 0.264 -2.578) 10.159 3.168 ( 0.029 3.017 4.540) 5.451 3.329 ( -10.368 -5.082 -2.067) 11.730 3.385 ( 3.138 6.999 3.671) 8.503 3.750 ( -6.352 -8.085 0.637) 10.302 4.176 ( -11.972 -12.848 -2.624) 17.756 5.293 ( 12.212 6.433 0.478) 13.811 5.512 ( 9.528 3.579 5.288) 11.470 5.771 ( 3.422 3.833 4.624) 6.913 5.907 ( 4.069 0.325 -5.075) 6.513 6.959 ( 2.632 6.388 14.598) 16.151 7.376 ( 11.818 1.064 -13.912) 18.285 7.949 ( -8.405 4.874 -2.200) 9.962 8.434 ( -11.370 4.907 -4.893) 13.315 8.848 ( -5.468 3.951 11.144) 13.027 9.034 ( 3.196 3.242 -11.828) 12.673 9.958 ( 15.070 9.320 1.230) 17.761 10.444 ( 4.050 -4.613 4.000) 7.327 11.143 ( 8.847 6.339 -1.891) 11.047 11.565 ( 5.411 5.832 -13.924) 16.036 12.219 ( 9.683 17.428 8.647) 21.732 12.914 ( 2.030 20.904 -10.303) 23.393 13.448 ( -3.220 -17.404 -4.301) 18.214 13.977 ( -8.702 -12.768 8.591) 17.679 14.959 ( 3.224 -2.098 3.175) 4.987 15.095 ( 1.450 -8.309 -3.349) 9.075 17.333 ( 7.499 4.456 17.203) 19.288 18.435 ( 11.994 -14.315 -2.534) 18.846 18.962 ( -18.187 0.221 -1.802) 18.278 19.724 ( -4.022 -0.366 2.697) 4.857 20.720 ( 2.062 3.539 12.429) 13.086 22.272 ( -5.452 -5.291 -22.719) 23.956 23.754 ( -1.992 -1.153 7.088) 7.452 24.283 ( -4.530 2.076 -2.718) 5.676 ======================= Grid point 500 (253/260) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 0.745 2.704 -7.042) 7.581 2.785 ( -8.649 -1.388 -4.117) 9.679 2.836 ( 2.307 3.631 -3.142) 5.327 3.114 ( -9.791 -5.833 1.622) 11.511 3.224 ( 4.264 -4.027 -3.152) 6.658 3.412 ( -3.097 -1.211 6.615) 7.403 3.707 ( 1.989 -2.435 1.494) 3.481 3.959 ( -9.273 -9.092 -2.239) 13.178 5.513 ( 9.408 5.658 2.440) 11.246 5.662 ( 4.204 3.163 0.050) 5.261 5.837 ( 2.621 6.116 4.111) 7.822 5.938 ( 0.054 2.857 -3.593) 4.591 7.093 ( 7.655 6.004 12.148) 15.564 7.469 ( -2.349 5.635 -10.117) 11.816 7.874 ( 3.871 -1.637 -5.475) 6.902 8.205 ( -10.661 2.398 -0.016) 10.928 8.816 ( -0.098 3.829 13.463) 13.997 9.014 ( -2.520 2.595 -14.661) 15.101 10.227 ( 11.625 7.325 -0.348) 13.744 10.474 ( -1.521 -0.059 2.879) 3.257 11.342 ( 9.944 5.507 7.323) 13.521 11.598 ( 0.901 8.021 -13.163) 15.441 12.433 ( 9.439 13.472 8.372) 18.458 12.823 ( -7.139 15.603 -12.860) 21.443 13.477 ( 6.104 -11.332 -3.596) 13.364 13.808 ( -10.042 -9.693 7.092) 15.655 15.024 ( 2.463 -3.601 4.058) 5.958 15.098 ( -0.172 -6.879 -4.001) 7.960 17.599 ( 15.839 4.138 12.559) 20.633 18.426 ( -18.351 0.532 -1.965) 18.464 18.829 ( 12.320 -3.064 -3.225) 13.098 19.520 ( -15.820 4.362 -0.964) 16.438 20.985 ( 18.495 -4.872 23.847) 30.569 21.958 ( -18.829 -6.610 -28.630) 34.899 23.828 ( 6.275 -2.422 9.309) 11.484 24.161 ( -6.841 0.226 -5.050) 8.506 ======================= Grid point 501 (254/260) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( -2.392 0.284 -1.743) 2.973 2.612 ( 2.392 0.284 1.743) 2.973 2.945 ( -1.701 -2.380 -1.981) 3.533 2.945 ( 1.701 -2.380 1.981) 3.533 3.323 ( 6.154 -5.481 -5.020) 9.649 3.323 ( -6.154 -5.481 5.020) 9.649 3.801 ( -4.012 -3.668 -4.584) 7.111 3.801 ( 4.012 -3.668 4.584) 7.111 5.657 ( -3.555 4.464 -3.407) 6.646 5.657 ( 3.555 4.464 3.407) 6.646 5.901 ( -2.283 5.114 -3.864) 6.804 5.901 ( 2.283 5.114 3.864) 6.804 7.298 ( -9.562 6.144 -10.509) 15.479 7.298 ( 9.561 6.144 10.509) 15.479 8.015 ( 2.922 -0.247 -17.140) 17.389 8.015 ( -2.922 -0.247 17.140) 17.389 8.899 ( -3.280 2.376 -18.248) 18.692 8.899 ( 3.280 2.376 18.248) 18.692 10.402 ( 1.845 4.444 -16.612) 17.295 10.402 ( -1.845 4.444 16.612) 17.295 11.525 ( -2.225 6.462 -20.096) 21.227 11.525 ( 2.225 6.462 20.096) 21.227 12.632 ( -8.720 12.765 -11.227) 19.106 12.632 ( 8.720 12.765 11.227) 19.106 13.627 ( 9.180 -8.365 -5.537) 13.598 13.627 ( -9.180 -8.365 5.537) 13.598 15.072 ( -1.042 -5.214 -5.146) 7.400 15.072 ( 1.042 -5.214 5.146) 7.400 17.995 ( -21.156 2.566 -6.991) 22.429 17.995 ( 21.156 2.566 6.991) 22.429 19.162 ( -18.236 3.298 -0.773) 18.548 19.162 ( 18.236 3.298 0.773) 18.548 21.468 ( -22.827 -7.714 -28.659) 37.442 21.468 ( 22.827 -7.714 28.659) 37.442 23.997 ( -8.015 -1.480 -7.738) 11.238 23.997 ( 8.014 -1.480 7.738) 11.238 ======================= Grid point 507 (255/260) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( -0.435 5.879 -12.348) 13.683 2.987 ( 0.435 5.879 12.348) 13.683 3.079 ( -2.869 0.958 -5.612) 6.375 3.079 ( 2.869 0.958 5.612) 6.375 3.838 ( 0.640 2.278 -11.613) 11.851 3.838 ( -0.640 2.278 11.613) 11.851 4.313 ( -1.800 -3.740 -8.218) 9.206 4.313 ( 1.800 -3.740 8.218) 9.206 4.966 ( -2.026 2.406 -6.653) 7.360 4.966 ( 2.026 2.406 6.653) 7.360 5.499 ( 2.380 -2.777 -12.834) 13.345 5.499 ( -2.380 -2.777 12.834) 13.345 7.128 ( 2.856 3.526 -24.621) 25.036 7.128 ( -2.856 3.526 24.621) 25.036 8.542 ( -0.010 1.870 -8.134) 8.346 8.542 ( 0.010 1.870 8.134) 8.346 9.288 ( 4.235 9.520 -13.394) 16.970 9.288 ( -4.235 9.520 13.394) 16.970 9.639 ( -11.911 -6.161 -6.590) 14.942 9.639 ( 11.911 -6.161 6.590) 14.942 11.056 ( -2.705 1.294 -2.528) 3.922 11.056 ( 2.705 1.294 2.528) 3.922 12.722 ( -7.079 13.413 -1.332) 15.225 12.722 ( 7.079 13.413 1.332) 15.225 13.683 ( -4.472 -12.310 -7.694) 15.190 13.683 ( 4.472 -12.310 7.694) 15.190 14.822 ( 0.792 -1.958 -4.761) 5.208 14.822 ( -0.792 -1.958 4.761) 5.208 17.290 ( 6.357 -5.365 -22.209) 23.715 17.290 ( -6.357 -5.365 22.209) 23.715 19.666 ( 2.930 -0.460 -4.257) 5.188 19.666 ( -2.930 -0.460 4.257) 5.188 21.552 ( -18.329 -0.158 1.147) 18.365 21.552 ( 18.329 -0.158 -1.147) 18.365 24.350 ( -6.098 1.943 -2.168) 6.757 24.350 ( 6.098 1.943 2.168) 6.757 ======================= Grid point 509 (256/260) ======================= q-point: ( 0.10 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( -3.700 7.825 -1.280) 8.749 2.977 ( -3.660 -0.390 -5.436) 6.565 3.066 ( 1.172 0.710 3.614) 3.865 3.214 ( 7.994 5.577 2.496) 10.062 3.721 ( -9.197 1.104 -9.271) 13.105 3.777 ( -7.456 2.396 7.681) 10.970 4.063 ( -15.272 -0.262 -1.154) 15.318 4.332 ( -5.621 -9.692 -4.349) 12.018 5.012 ( 7.507 6.281 -3.912) 10.541 5.105 ( 9.498 -0.109 6.573) 11.551 5.551 ( 4.361 -1.152 11.580) 12.427 5.590 ( 8.477 -3.181 -9.876) 13.398 7.099 ( -5.386 3.911 21.814) 22.807 7.126 ( 3.355 2.023 -21.755) 22.105 8.473 ( -5.964 3.725 -6.033) 9.266 8.612 ( 5.788 0.667 1.002) 5.912 9.108 ( -7.969 9.374 0.052) 12.304 9.262 ( -11.345 -4.958 -4.557) 13.193 9.627 ( 12.153 9.203 -4.921) 16.019 9.905 ( 12.091 -7.413 9.824) 17.253 11.054 ( 2.692 3.407 -5.357) 6.896 11.187 ( 10.996 -1.086 -5.026) 12.139 12.602 ( -4.598 20.111 0.034) 20.630 12.874 ( 7.662 3.945 1.417) 8.733 13.549 ( -6.873 -4.754 -6.347) 10.494 13.755 ( 0.838 -16.392 7.251) 17.944 14.829 ( 1.192 -0.805 2.283) 2.699 14.858 ( 2.798 -3.279 -1.734) 4.646 17.236 ( -2.060 0.659 20.734) 20.846 17.478 ( 14.170 -10.766 -10.376) 20.601 19.554 ( -9.208 0.346 2.956) 9.677 19.682 ( -0.035 -1.030 -3.079) 3.247 21.212 ( -16.046 1.496 1.131) 16.155 21.905 ( 17.231 -1.478 -3.142) 17.577 24.168 ( -11.585 1.661 -2.337) 11.935 24.422 ( 0.988 1.726 0.950) 2.204 ======================= Grid point 510 (257/260) ======================= q-point: ( 0.20 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( -2.746 7.176 -0.428) 7.695 2.886 ( -3.760 0.543 -10.133) 10.822 3.069 ( -1.397 -0.649 0.796) 1.734 3.348 ( 0.525 4.362 5.783) 7.263 3.477 ( -10.254 0.305 -8.469) 13.303 3.625 ( -7.621 3.365 3.158) 8.910 3.765 ( -14.020 -0.254 3.145) 14.370 4.135 ( -11.502 -12.224 -5.437) 17.643 5.195 ( 10.918 5.273 -1.825) 12.261 5.335 ( 11.692 0.649 5.251) 12.833 5.689 ( 6.314 0.159 10.329) 12.107 5.753 ( 9.438 -2.130 -8.545) 12.908 7.049 ( -3.398 3.924 18.488) 19.203 7.191 ( 8.636 -0.147 -20.878) 22.594 8.276 ( -12.075 3.476 -3.684) 13.094 8.683 ( -4.191 0.705 2.065) 4.725 8.995 ( 0.625 4.102 -8.605) 9.553 9.067 ( -6.796 -0.817 0.993) 6.916 9.885 ( 14.109 9.775 -5.336) 17.975 10.148 ( 10.043 -7.006 10.684) 16.251 11.112 ( 3.995 2.352 -1.713) 4.942 11.442 ( 15.866 0.527 -15.150) 21.944 12.554 ( -0.345 22.062 1.903) 22.147 13.014 ( 5.817 -8.849 0.449) 10.599 13.402 ( -6.097 7.684 -5.131) 11.070 13.751 ( -2.597 -17.099 6.053) 18.324 14.871 ( 2.231 -0.633 3.226) 3.973 14.913 ( 3.086 -3.911 -2.174) 5.435 17.290 ( 2.118 3.684 23.292) 23.676 17.792 ( 19.658 -11.471 -7.555) 23.981 19.316 ( -15.443 0.433 1.388) 15.512 19.685 ( 1.134 -0.950 0.914) 1.739 20.938 ( -12.043 2.709 2.809) 12.659 22.173 ( 10.055 -2.071 -9.434) 13.943 23.911 ( -12.999 0.699 0.394) 13.023 24.402 ( -2.897 1.254 -0.647) 3.222 ======================= Grid point 511 (258/260) ======================= q-point: ( 0.30 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -6.197 7.142 -2.584) 9.802 2.812 ( -0.526 -0.297 -12.978) 12.992 3.011 ( -4.893 0.544 -2.937) 5.733 3.137 ( -12.217 -9.437 -4.633) 16.117 3.342 ( -8.942 10.650 9.179) 16.662 3.536 ( -10.183 -0.229 5.402) 11.529 3.614 ( 3.879 -0.569 0.204) 3.925 3.917 ( -8.332 -10.289 -3.992) 13.829 5.411 ( 10.824 3.754 0.401) 11.463 5.560 ( 9.608 1.063 2.905) 10.094 5.827 ( 5.382 1.457 7.410) 9.274 5.896 ( 6.454 -0.797 -5.926) 8.798 7.074 ( 2.289 3.908 14.317) 15.016 7.366 ( 13.252 -1.358 -19.066) 23.259 8.014 ( -13.021 1.515 -2.957) 13.438 8.480 ( -13.436 0.827 5.031) 14.371 8.945 ( -5.455 3.295 11.271) 12.948 9.076 ( 4.960 0.817 -21.164) 21.753 10.142 ( 12.972 7.485 -5.093) 15.819 10.340 ( 6.649 -5.070 11.256) 14.022 11.222 ( 7.126 1.669 6.446) 9.752 11.676 ( 10.821 3.551 -21.502) 24.332 12.596 ( 3.766 17.886 2.954) 18.515 13.066 ( -1.416 -18.087 -1.962) 18.248 13.326 ( 0.540 18.441 -3.369) 18.754 13.690 ( -4.675 -15.139 4.487) 16.467 14.923 ( 2.081 -1.055 3.720) 4.392 14.962 ( 2.262 -3.759 -2.559) 5.079 17.426 ( 6.912 3.339 19.594) 21.043 18.202 ( 22.632 -6.875 -4.007) 23.990 18.967 ( -19.316 0.176 -0.822) 19.334 19.710 ( -1.007 -0.556 3.193) 3.394 20.787 ( -3.022 2.109 9.724) 10.399 22.189 ( -6.191 -2.297 -20.990) 22.004 23.735 ( -4.068 -0.576 7.370) 8.438 24.311 ( -5.816 0.669 -2.794) 6.487 ======================= Grid point 512 (259/260) ======================= q-point: ( 0.40 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -3.962 4.490 -5.047) 7.832 2.735 ( -6.469 -3.567 -8.881) 11.552 2.891 ( -1.794 0.905 -3.537) 4.068 2.987 ( -4.733 -4.149 0.985) 6.370 3.229 ( -3.084 4.174 3.724) 6.388 3.360 ( -8.554 -4.648 4.947) 10.920 3.693 ( 3.278 1.013 1.158) 3.620 3.801 ( -3.390 -5.318 -1.735) 6.541 5.606 ( 8.232 2.676 1.885) 8.859 5.706 ( 4.430 1.054 0.093) 4.555 5.926 ( 3.191 2.297 4.695) 6.124 5.971 ( 2.244 0.606 -3.607) 4.291 7.201 ( 7.400 3.554 10.860) 13.613 7.547 ( 3.556 1.584 -14.112) 14.640 7.819 ( -0.548 -2.135 -6.912) 7.255 8.231 ( -13.478 0.539 9.303) 16.386 8.901 ( -2.010 2.776 16.850) 17.195 9.051 ( -1.534 0.870 -24.986) 25.048 10.355 ( 9.448 4.548 -6.406) 12.287 10.454 ( 2.171 -1.655 11.187) 11.516 11.419 ( 9.763 1.906 14.119) 17.271 11.742 ( 1.004 4.475 -21.970) 22.444 12.699 ( 5.624 11.293 3.573) 13.113 12.971 ( -6.279 -3.966 -4.103) 8.484 13.389 ( 5.256 6.239 -2.531) 8.542 13.597 ( -5.457 -10.752 3.394) 12.526 14.965 ( 1.266 -1.717 3.690) 4.263 14.988 ( 1.000 -3.096 -2.956) 4.396 17.668 ( 14.226 1.993 12.250) 18.879 18.433 ( -14.095 0.112 0.649) 14.111 18.784 ( 16.596 -1.175 -4.099) 17.135 19.578 ( -13.420 1.335 -0.162) 13.487 20.924 ( 13.259 -1.225 21.841) 25.580 21.852 ( -20.304 -3.003 -28.432) 35.066 23.790 ( 6.286 -1.001 10.506) 12.284 24.163 ( -8.118 0.023 -5.564) 9.842 ======================= Grid point 513 (260/260) ======================= q-point: ( 0.50 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( -0.863 -0.342 -3.583) 3.702 2.610 ( 0.863 -0.342 3.583) 3.702 2.912 ( 3.300 -0.589 -3.180) 4.620 2.912 ( -3.300 -0.589 3.180) 4.620 3.241 ( 0.378 -2.256 -1.935) 2.996 3.241 ( -0.378 -2.256 1.935) 2.996 3.748 ( -1.529 -1.340 -2.099) 2.923 3.748 ( 1.529 -1.340 2.099) 2.923 5.722 ( -2.519 1.667 -2.023) 3.636 5.722 ( 2.519 1.667 2.023) 3.636 5.975 ( -0.825 1.871 -3.111) 3.722 5.975 ( 0.825 1.871 3.111) 3.722 7.400 ( -9.790 3.043 -8.993) 13.638 7.400 ( 9.790 3.043 8.993) 13.638 7.987 ( 10.986 -1.429 -13.548) 17.501 7.987 ( -10.986 -1.429 13.548) 17.501 8.949 ( -1.818 1.610 -23.436) 23.561 8.949 ( 1.818 1.610 23.436) 23.561 10.466 ( 3.208 1.662 -16.595) 16.983 10.466 ( -3.208 1.662 16.595) 16.983 11.630 ( -6.570 3.041 -19.774) 21.058 11.630 ( 6.570 3.041 19.774) 21.058 12.830 ( -6.606 5.409 -4.551) 9.675 12.830 ( 6.606 5.409 4.551) 9.675 13.494 ( 2.728 -3.734 -3.066) 5.549 13.494 ( -2.728 -3.734 3.066) 5.549 14.988 ( -0.034 -2.404 -4.006) 4.672 14.988 ( 0.034 -2.404 4.006) 4.672 18.034 ( -20.291 1.018 -5.362) 21.012 18.034 ( 20.291 1.018 5.362) 21.012 19.215 ( -21.984 1.523 -0.368) 22.040 19.215 ( 21.984 1.523 0.368) 22.040 21.349 ( -22.147 -3.226 -28.436) 36.187 21.349 ( 22.147 -3.226 28.436) 36.187 23.974 ( -9.108 -0.613 -8.632) 12.564 23.974 ( 9.108 -0.613 8.632) 12.564 =================== 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 3/32400 10.0 5460.219 6188.990 5948.129 0.000 744.560 0.000 3/32400 20.0 923.823 616.108 940.215 0.000 186.579 0.000 3/32400 30.0 305.645 190.629 301.835 0.000 57.541 0.000 3/32400 40.0 149.523 93.271 147.862 0.000 27.634 0.000 3/32400 50.0 90.508 56.679 90.238 0.000 16.728 0.000 3/32400 60.0 62.105 39.006 62.469 0.000 11.491 0.000 3/32400 70.0 46.190 29.084 46.838 0.000 8.529 0.000 3/32400 80.0 36.310 22.924 37.086 0.000 6.671 0.000 3/32400 90.0 29.713 18.815 30.542 0.000 5.420 0.000 3/32400 100.0 25.060 15.918 25.903 0.000 4.533 0.000 3/32400 110.0 21.636 13.786 22.471 0.000 3.879 0.000 3/32400 120.0 19.029 12.161 19.843 0.000 3.381 0.000 3/32400 130.0 16.988 10.885 17.772 0.000 2.991 0.000 3/32400 140.0 15.353 9.860 16.103 0.000 2.680 0.000 3/32400 150.0 14.018 9.018 14.730 0.000 2.426 0.000 3/32400 160.0 12.908 8.315 13.582 0.000 2.216 0.000 3/32400 170.0 11.973 7.719 12.608 0.000 2.040 0.000 3/32400 180.0 11.174 7.207 11.771 0.000 1.890 0.000 3/32400 190.0 10.484 6.763 11.044 0.000 1.762 0.000 3/32400 200.0 9.882 6.373 10.406 0.000 1.650 0.000 3/32400 210.0 9.352 6.028 9.843 0.000 1.553 0.000 3/32400 220.0 8.881 5.720 9.340 0.000 1.467 0.000 3/32400 230.0 8.460 5.444 8.890 0.000 1.391 0.000 3/32400 240.0 8.081 5.194 8.483 0.000 1.323 0.000 3/32400 250.0 7.738 4.968 8.114 0.000 1.262 0.000 3/32400 260.0 7.425 4.761 7.777 0.000 1.206 0.000 3/32400 270.0 7.139 4.572 7.469 0.000 1.156 0.000 3/32400 280.0 6.876 4.398 7.185 0.000 1.110 0.000 3/32400 290.0 6.633 4.237 6.924 0.000 1.068 0.000 3/32400 300.0 6.408 4.088 6.681 0.000 1.029 0.000 3/32400 310.0 6.199 3.949 6.456 0.000 0.994 0.000 3/32400 320.0 6.004 3.820 6.246 0.000 0.960 0.000 3/32400 330.0 5.821 3.699 6.049 0.000 0.930 0.000 3/32400 340.0 5.650 3.586 5.865 0.000 0.901 0.000 3/32400 350.0 5.489 3.480 5.693 0.000 0.874 0.000 3/32400 360.0 5.338 3.380 5.530 0.000 0.849 0.000 3/32400 370.0 5.195 3.286 5.377 0.000 0.825 0.000 3/32400 380.0 5.060 3.197 5.232 0.000 0.803 0.000 3/32400 390.0 4.932 3.113 5.096 0.000 0.781 0.000 3/32400 400.0 4.810 3.033 4.966 0.000 0.761 0.000 3/32400 410.0 4.695 2.957 4.843 0.000 0.742 0.000 3/32400 420.0 4.585 2.886 4.726 0.000 0.725 0.000 3/32400 430.0 4.480 2.817 4.614 0.000 0.707 0.000 3/32400 440.0 4.380 2.752 4.508 0.000 0.691 0.000 3/32400 450.0 4.285 2.690 4.407 0.000 0.676 0.000 3/32400 460.0 4.193 2.630 4.310 0.000 0.661 0.000 3/32400 470.0 4.106 2.573 4.218 0.000 0.647 0.000 3/32400 480.0 4.022 2.519 4.129 0.000 0.633 0.000 3/32400 490.0 3.941 2.467 4.044 0.000 0.620 0.000 3/32400 500.0 3.864 2.417 3.963 0.000 0.608 0.000 3/32400 510.0 3.790 2.369 3.884 0.000 0.596 0.000 3/32400 520.0 3.718 2.323 3.809 0.000 0.584 0.000 3/32400 530.0 3.650 2.279 3.737 0.000 0.573 0.000 3/32400 540.0 3.583 2.236 3.668 0.000 0.563 0.000 3/32400 550.0 3.520 2.195 3.601 0.000 0.553 0.000 3/32400 560.0 3.458 2.155 3.536 0.000 0.543 0.000 3/32400 570.0 3.398 2.117 3.474 0.000 0.533 0.000 3/32400 580.0 3.341 2.080 3.414 0.000 0.524 0.000 3/32400 590.0 3.285 2.045 3.356 0.000 0.515 0.000 3/32400 600.0 3.232 2.011 3.300 0.000 0.507 0.000 3/32400 610.0 3.180 1.977 3.245 0.000 0.499 0.000 3/32400 620.0 3.129 1.945 3.193 0.000 0.491 0.000 3/32400 630.0 3.081 1.914 3.142 0.000 0.483 0.000 3/32400 640.0 3.033 1.884 3.093 0.000 0.475 0.000 3/32400 650.0 2.987 1.855 3.045 0.000 0.468 0.000 3/32400 660.0 2.943 1.827 2.999 0.000 0.461 0.000 3/32400 670.0 2.900 1.799 2.954 0.000 0.454 0.000 3/32400 680.0 2.858 1.773 2.911 0.000 0.448 0.000 3/32400 690.0 2.817 1.747 2.869 0.000 0.441 0.000 3/32400 700.0 2.778 1.722 2.828 0.000 0.435 0.000 3/32400 710.0 2.739 1.697 2.788 0.000 0.429 0.000 3/32400 720.0 2.702 1.674 2.749 0.000 0.423 0.000 3/32400 730.0 2.665 1.651 2.712 0.000 0.417 0.000 3/32400 740.0 2.630 1.628 2.675 0.000 0.412 0.000 3/32400 750.0 2.595 1.607 2.639 0.000 0.406 0.000 3/32400 760.0 2.561 1.585 2.604 0.000 0.401 0.000 3/32400 770.0 2.529 1.565 2.571 0.000 0.396 0.000 3/32400 780.0 2.497 1.545 2.538 0.000 0.391 0.000 3/32400 790.0 2.466 1.525 2.506 0.000 0.386 0.000 3/32400 800.0 2.435 1.506 2.474 0.000 0.381 0.000 3/32400 810.0 2.405 1.487 2.444 0.000 0.376 0.000 3/32400 820.0 2.377 1.469 2.414 0.000 0.372 0.000 3/32400 830.0 2.348 1.451 2.385 0.000 0.367 0.000 3/32400 840.0 2.321 1.434 2.356 0.000 0.363 0.000 3/32400 850.0 2.294 1.417 2.329 0.000 0.359 0.000 3/32400 860.0 2.267 1.400 2.302 0.000 0.355 0.000 3/32400 870.0 2.242 1.384 2.275 0.000 0.351 0.000 3/32400 880.0 2.216 1.369 2.249 0.000 0.347 0.000 3/32400 890.0 2.192 1.353 2.224 0.000 0.343 0.000 3/32400 900.0 2.168 1.338 2.199 0.000 0.339 0.000 3/32400 910.0 2.144 1.323 2.175 0.000 0.335 0.000 3/32400 920.0 2.121 1.309 2.152 0.000 0.332 0.000 3/32400 930.0 2.099 1.295 2.129 0.000 0.328 0.000 3/32400 940.0 2.077 1.281 2.106 0.000 0.325 0.000 3/32400 950.0 2.055 1.268 2.084 0.000 0.321 0.000 3/32400 960.0 2.034 1.254 2.062 0.000 0.318 0.000 3/32400 970.0 2.013 1.241 2.041 0.000 0.315 0.000 3/32400 980.0 1.993 1.229 2.020 0.000 0.311 0.000 3/32400 990.0 1.973 1.216 2.000 0.000 0.308 0.000 3/32400 1000.0 1.953 1.204 1.980 0.000 0.305 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m10910.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:11:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|