----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:04:48]------------------------- 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: [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnc2 (30) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.947520260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.645561760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.569683030000000 Atomic positions (fractional): *1 Ta 0.00000000000000 0.00000000000000 0.81660138802448 180.948 2 Ta 0.00000000000000 0.50000000000000 0.31660138802448 180.948 *3 Ga 0.50000000000000 0.00000000000000 0.17195802257059 69.723 4 Ga 0.50000000000000 0.50000000000000 0.67195802257059 69.723 *5 O 0.17052534603831 0.77613813745117 0.11359570848592 15.999 *6 O 0.67786670533762 0.77066530716943 0.89212457621655 15.999 7 O 0.67786670533762 0.72933469283057 0.39212457621655 15.999 8 O 0.17052534603831 0.72386186254883 0.61359570848592 15.999 9 O 0.32213329466238 0.27066530716943 0.39212457621655 15.999 10 O 0.82947465396169 0.27613813745117 0.61359570848592 15.999 11 O 0.82947465396169 0.22386186254883 0.11359570848592 15.999 12 O 0.32213329466238 0.22933469283056 0.89212457621655 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.947520260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.645561760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.569683030000000 Atomic positions (fractional): *1 Ta 0.00000000000000 0.00000000000000 0.81660138802448 180.948 > 1 2 Ta 0.00000000000000 0.50000000000000 0.31660138802448 180.948 > 2 *3 Ga 0.50000000000000 0.00000000000000 0.17195802257059 69.723 > 3 4 Ga 0.50000000000000 0.50000000000000 0.67195802257059 69.723 > 4 *5 O 0.17052534603831 0.77613813745117 0.11359570848592 15.999 > 5 *6 O 0.67786670533762 0.77066530716943 0.89212457621655 15.999 > 6 7 O 0.67786670533762 0.72933469283057 0.39212457621655 15.999 > 7 8 O 0.17052534603831 0.72386186254883 0.61359570848592 15.999 > 8 9 O 0.32213329466238 0.27066530716943 0.39212457621655 15.999 > 9 10 O 0.82947465396169 0.27613813745117 0.61359570848592 15.999 > 10 11 O 0.82947465396169 0.22386186254883 0.11359570848592 15.999 > 11 12 O 0.32213329466238 0.22933469283057 0.89212457621655 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.895040520000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.936685279999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.139366060000000 Atomic positions (fractional): *1 Ta 0.00000000000000 0.00000000000000 0.40830069401224 180.948 > 1 2 Ta 0.50000000000000 0.00000000000000 0.40830069401224 180.948 > 1 3 Ta 0.00000000000000 0.33333333333333 0.40830069401224 180.948 > 1 4 Ta 0.50000000000000 0.33333333333333 0.40830069401224 180.948 > 1 5 Ta 0.00000000000000 0.66666666666667 0.40830069401224 180.948 > 1 6 Ta 0.50000000000000 0.66666666666667 0.40830069401224 180.948 > 1 7 Ta 0.00000000000000 0.00000000000000 0.90830069401224 180.948 > 1 8 Ta 0.50000000000000 0.00000000000000 0.90830069401224 180.948 > 1 9 Ta 0.00000000000000 0.33333333333333 0.90830069401224 180.948 > 1 10 Ta 0.50000000000000 0.33333333333333 0.90830069401224 180.948 > 1 11 Ta 0.00000000000000 0.66666666666667 0.90830069401224 180.948 > 1 12 Ta 0.50000000000000 0.66666666666667 0.90830069401224 180.948 > 1 13 Ta 0.00000000000000 0.16666666666667 0.15830069401224 180.948 > 2 14 Ta 0.50000000000000 0.16666666666667 0.15830069401224 180.948 > 2 15 Ta 0.00000000000000 0.50000000000000 0.15830069401224 180.948 > 2 16 Ta 0.50000000000000 0.50000000000000 0.15830069401224 180.948 > 2 17 Ta 0.00000000000000 0.83333333333333 0.15830069401224 180.948 > 2 18 Ta 0.50000000000000 0.83333333333333 0.15830069401224 180.948 > 2 19 Ta 0.00000000000000 0.16666666666667 0.65830069401224 180.948 > 2 20 Ta 0.50000000000000 0.16666666666667 0.65830069401224 180.948 > 2 21 Ta 0.00000000000000 0.50000000000000 0.65830069401224 180.948 > 2 22 Ta 0.50000000000000 0.50000000000000 0.65830069401224 180.948 > 2 23 Ta 0.00000000000000 0.83333333333333 0.65830069401224 180.948 > 2 24 Ta 0.50000000000000 0.83333333333333 0.65830069401224 180.948 > 2 *25 Ga 0.25000000000000 0.00000000000000 0.08597901128529 69.723 > 3 26 Ga 0.75000000000000 0.00000000000000 0.08597901128529 69.723 > 3 27 Ga 0.25000000000000 0.33333333333333 0.08597901128529 69.723 > 3 28 Ga 0.75000000000000 0.33333333333333 0.08597901128529 69.723 > 3 29 Ga 0.25000000000000 0.66666666666667 0.08597901128529 69.723 > 3 30 Ga 0.75000000000000 0.66666666666667 0.08597901128529 69.723 > 3 31 Ga 0.25000000000000 0.00000000000000 0.58597901128529 69.723 > 3 32 Ga 0.75000000000000 0.00000000000000 0.58597901128529 69.723 > 3 33 Ga 0.25000000000000 0.33333333333333 0.58597901128529 69.723 > 3 34 Ga 0.75000000000000 0.33333333333333 0.58597901128529 69.723 > 3 35 Ga 0.25000000000000 0.66666666666667 0.58597901128529 69.723 > 3 36 Ga 0.75000000000000 0.66666666666667 0.58597901128529 69.723 > 3 37 Ga 0.25000000000000 0.16666666666667 0.33597901128529 69.723 > 4 38 Ga 0.75000000000000 0.16666666666667 0.33597901128529 69.723 > 4 39 Ga 0.25000000000000 0.50000000000000 0.33597901128529 69.723 > 4 40 Ga 0.75000000000000 0.50000000000000 0.33597901128529 69.723 > 4 41 Ga 0.25000000000000 0.83333333333333 0.33597901128529 69.723 > 4 42 Ga 0.75000000000000 0.83333333333333 0.33597901128529 69.723 > 4 43 Ga 0.25000000000000 0.16666666666667 0.83597901128529 69.723 > 4 44 Ga 0.75000000000000 0.16666666666667 0.83597901128529 69.723 > 4 45 Ga 0.25000000000000 0.50000000000000 0.83597901128529 69.723 > 4 46 Ga 0.75000000000000 0.50000000000000 0.83597901128529 69.723 > 4 47 Ga 0.25000000000000 0.83333333333333 0.83597901128529 69.723 > 4 48 Ga 0.75000000000000 0.83333333333333 0.83597901128529 69.723 > 4 *49 O 0.08526267301915 0.25871271248372 0.05679785424296 15.999 > 5 50 O 0.58526267301915 0.25871271248372 0.05679785424296 15.999 > 5 51 O 0.08526267301915 0.59204604581706 0.05679785424296 15.999 > 5 52 O 0.58526267301915 0.59204604581706 0.05679785424296 15.999 > 5 53 O 0.08526267301915 0.92537937915039 0.05679785424296 15.999 > 5 54 O 0.58526267301915 0.92537937915039 0.05679785424296 15.999 > 5 55 O 0.08526267301915 0.25871271248372 0.55679785424296 15.999 > 5 56 O 0.58526267301915 0.25871271248372 0.55679785424296 15.999 > 5 57 O 0.08526267301915 0.59204604581706 0.55679785424296 15.999 > 5 58 O 0.58526267301915 0.59204604581706 0.55679785424296 15.999 > 5 59 O 0.08526267301915 0.92537937915039 0.55679785424296 15.999 > 5 60 O 0.58526267301915 0.92537937915039 0.55679785424296 15.999 > 5 *61 O 0.33893335266881 0.25688843572314 0.44606228810827 15.999 > 6 62 O 0.83893335266881 0.25688843572314 0.44606228810827 15.999 > 6 63 O 0.33893335266881 0.59022176905648 0.44606228810827 15.999 > 6 64 O 0.83893335266881 0.59022176905648 0.44606228810827 15.999 > 6 65 O 0.33893335266881 0.92355510238981 0.44606228810827 15.999 > 6 66 O 0.83893335266881 0.92355510238981 0.44606228810827 15.999 > 6 67 O 0.33893335266881 0.25688843572314 0.94606228810827 15.999 > 6 68 O 0.83893335266881 0.25688843572314 0.94606228810827 15.999 > 6 69 O 0.33893335266881 0.59022176905648 0.94606228810827 15.999 > 6 70 O 0.83893335266881 0.59022176905648 0.94606228810827 15.999 > 6 71 O 0.33893335266881 0.92355510238981 0.94606228810827 15.999 > 6 72 O 0.83893335266881 0.92355510238981 0.94606228810827 15.999 > 6 73 O 0.33893335266881 0.24311156427686 0.19606228810827 15.999 > 7 74 O 0.83893335266881 0.24311156427686 0.19606228810827 15.999 > 7 75 O 0.33893335266881 0.57644489761019 0.19606228810827 15.999 > 7 76 O 0.83893335266881 0.57644489761019 0.19606228810827 15.999 > 7 77 O 0.33893335266881 0.90977823094352 0.19606228810827 15.999 > 7 78 O 0.83893335266881 0.90977823094352 0.19606228810827 15.999 > 7 79 O 0.33893335266881 0.24311156427686 0.69606228810827 15.999 > 7 80 O 0.83893335266881 0.24311156427686 0.69606228810827 15.999 > 7 81 O 0.33893335266881 0.57644489761019 0.69606228810827 15.999 > 7 82 O 0.83893335266881 0.57644489761019 0.69606228810827 15.999 > 7 83 O 0.33893335266881 0.90977823094352 0.69606228810827 15.999 > 7 84 O 0.83893335266881 0.90977823094352 0.69606228810827 15.999 > 7 85 O 0.08526267301915 0.24128728751628 0.30679785424296 15.999 > 8 86 O 0.58526267301915 0.24128728751628 0.30679785424296 15.999 > 8 87 O 0.08526267301915 0.57462062084961 0.30679785424296 15.999 > 8 88 O 0.58526267301915 0.57462062084961 0.30679785424296 15.999 > 8 89 O 0.08526267301915 0.90795395418294 0.30679785424296 15.999 > 8 90 O 0.58526267301915 0.90795395418294 0.30679785424296 15.999 > 8 91 O 0.08526267301915 0.24128728751628 0.80679785424296 15.999 > 8 92 O 0.58526267301915 0.24128728751628 0.80679785424296 15.999 > 8 93 O 0.08526267301915 0.57462062084961 0.80679785424296 15.999 > 8 94 O 0.58526267301915 0.57462062084961 0.80679785424296 15.999 > 8 95 O 0.08526267301915 0.90795395418294 0.80679785424296 15.999 > 8 96 O 0.58526267301915 0.90795395418294 0.80679785424296 15.999 > 8 97 O 0.16106664733119 0.09022176905648 0.19606228810827 15.999 > 9 98 O 0.66106664733119 0.09022176905648 0.19606228810827 15.999 > 9 99 O 0.16106664733119 0.42355510238981 0.19606228810827 15.999 > 9 100 O 0.66106664733119 0.42355510238981 0.19606228810827 15.999 > 9 101 O 0.16106664733119 0.75688843572314 0.19606228810827 15.999 > 9 102 O 0.66106664733119 0.75688843572314 0.19606228810827 15.999 > 9 103 O 0.16106664733119 0.09022176905648 0.69606228810827 15.999 > 9 104 O 0.66106664733119 0.09022176905648 0.69606228810827 15.999 > 9 105 O 0.16106664733119 0.42355510238981 0.69606228810827 15.999 > 9 106 O 0.66106664733119 0.42355510238981 0.69606228810827 15.999 > 9 107 O 0.16106664733119 0.75688843572314 0.69606228810827 15.999 > 9 108 O 0.66106664733119 0.75688843572314 0.69606228810827 15.999 > 9 109 O 0.41473732698085 0.09204604581706 0.30679785424296 15.999 > 10 110 O 0.91473732698085 0.09204604581706 0.30679785424296 15.999 > 10 111 O 0.41473732698085 0.42537937915039 0.30679785424296 15.999 > 10 112 O 0.91473732698085 0.42537937915039 0.30679785424296 15.999 > 10 113 O 0.41473732698085 0.75871271248372 0.30679785424296 15.999 > 10 114 O 0.91473732698085 0.75871271248372 0.30679785424296 15.999 > 10 115 O 0.41473732698085 0.09204604581706 0.80679785424296 15.999 > 10 116 O 0.91473732698085 0.09204604581706 0.80679785424296 15.999 > 10 117 O 0.41473732698085 0.42537937915039 0.80679785424296 15.999 > 10 118 O 0.91473732698085 0.42537937915039 0.80679785424296 15.999 > 10 119 O 0.41473732698085 0.75871271248372 0.80679785424296 15.999 > 10 120 O 0.91473732698085 0.75871271248372 0.80679785424296 15.999 > 10 121 O 0.41473732698085 0.07462062084961 0.05679785424296 15.999 > 11 122 O 0.91473732698085 0.07462062084961 0.05679785424296 15.999 > 11 123 O 0.41473732698085 0.40795395418294 0.05679785424296 15.999 > 11 124 O 0.91473732698085 0.40795395418294 0.05679785424296 15.999 > 11 125 O 0.41473732698085 0.74128728751628 0.05679785424296 15.999 > 11 126 O 0.91473732698085 0.74128728751628 0.05679785424296 15.999 > 11 127 O 0.41473732698085 0.07462062084961 0.55679785424296 15.999 > 11 128 O 0.91473732698085 0.07462062084961 0.55679785424296 15.999 > 11 129 O 0.41473732698085 0.40795395418294 0.55679785424296 15.999 > 11 130 O 0.91473732698085 0.40795395418294 0.55679785424296 15.999 > 11 131 O 0.41473732698085 0.74128728751628 0.55679785424296 15.999 > 11 132 O 0.91473732698085 0.74128728751628 0.55679785424296 15.999 > 11 133 O 0.16106664733119 0.07644489761019 0.44606228810827 15.999 > 12 134 O 0.66106664733119 0.07644489761019 0.44606228810827 15.999 > 12 135 O 0.16106664733119 0.40977823094352 0.44606228810827 15.999 > 12 136 O 0.66106664733119 0.40977823094352 0.44606228810827 15.999 > 12 137 O 0.16106664733119 0.74311156427685 0.44606228810827 15.999 > 12 138 O 0.66106664733119 0.74311156427685 0.44606228810827 15.999 > 12 139 O 0.16106664733119 0.07644489761019 0.94606228810827 15.999 > 12 140 O 0.66106664733119 0.07644489761019 0.94606228810827 15.999 > 12 141 O 0.16106664733119 0.40977823094352 0.94606228810827 15.999 > 12 142 O 0.66106664733119 0.40977823094352 0.94606228810827 15.999 > 12 143 O 0.16106664733119 0.74311156427685 0.94606228810827 15.999 > 12 144 O 0.66106664733119 0.74311156427685 0.94606228810827 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2068309 0.0000000 0.0000000 0.0000000 5.4355621 0.0000000 0.0000000 0.0000000 4.9469521 -------------------------- Born effective charges -------------------------- 1 Ta 5.6000429 0.5619381 0.0000000 -0.3275021 7.2269947 -0.0000000 0.0000000 0.0000000 6.2958126 2 Ta 5.6000429 -0.5619381 0.0000000 0.3275021 7.2269947 -0.0000000 0.0000000 0.0000000 6.2958126 3 Ga 4.3991465 -0.7036175 0.0000000 0.0579331 3.5555649 -0.0000000 0.0000000 0.0000000 3.2945857 4 Ga 4.3991465 0.7036175 0.0000000 -0.0579331 3.5555649 -0.0000000 0.0000000 0.0000000 3.2945857 5 O -2.0660447 -0.5828518 0.0559582 -0.7254227 -3.0684866 1.6202810 0.2984439 1.4965380 -2.7789971 6 O -2.9335500 -0.8726703 0.3871155 -1.0992993 -2.3227932 -0.1101714 0.1939607 -0.2908153 -2.0162020 7 O -2.9335500 0.8726703 0.3871155 1.0992993 -2.3227932 0.1101714 0.1939607 0.2908153 -2.0162020 8 O -2.0660447 0.5828518 0.0559582 0.7254227 -3.0684866 -1.6202810 0.2984439 -1.4965380 -2.7789971 9 O -2.9335500 0.8726703 -0.3871155 1.0992993 -2.3227932 -0.1101714 -0.1939607 -0.2908153 -2.0162020 10 O -2.0660447 0.5828518 -0.0559582 0.7254227 -3.0684866 1.6202810 -0.2984439 1.4965380 -2.7789971 11 O -2.0660447 -0.5828518 -0.0559582 -0.7254227 -3.0684866 -1.6202810 -0.2984439 -1.4965380 -2.7789971 12 O -2.9335500 -0.8726703 -0.3871155 -1.0992993 -2.3227932 0.1101714 -0.1939607 0.2908153 -2.0162020 ---------------------------------------------------------------------------- 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: 2020 Number of blocks in projector: 2020 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: 244 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 244 Use standard eigh solver. Tree of FC basis block matrices: - (2020, 1992), data: False |-- (244, 240), data: True |-- (244, 240), data: True |-- (244, 240), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 432), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 4.341 Solver_block: 200 / 400 - Time: 4.369 Solver_block: 300 / 400 - Time: 4.378 Solver_block: 400 / 400 - Time: 4.361 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 17.508 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 2020 Number of blocks in projector: 2020 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: 244 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 244 Use standard eigh solver. Tree of FC basis block matrices: - (2020, 1992), data: False |-- (244, 240), data: True |-- (244, 240), data: True |-- (244, 240), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 432), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:05:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:05:28]------------------------- 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): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnc2 (30) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.947520260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.645561760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.569683030000000 Atomic positions (fractional): 1 Ta 0.00000000000000 0.00000000000000 0.81660138802448 180.948 2 Ta 0.00000000000000 0.50000000000000 0.31660138802448 180.948 3 Ga 0.50000000000000 0.00000000000000 0.17195802257059 69.723 4 Ga 0.50000000000000 0.50000000000000 0.67195802257059 69.723 5 O 0.17052534603831 0.77613813745117 0.11359570848592 15.999 6 O 0.67786670533762 0.77066530716943 0.89212457621655 15.999 7 O 0.67786670533762 0.72933469283057 0.39212457621655 15.999 8 O 0.17052534603831 0.72386186254883 0.61359570848592 15.999 9 O 0.32213329466238 0.27066530716943 0.39212457621655 15.999 10 O 0.82947465396169 0.27613813745117 0.61359570848592 15.999 11 O 0.82947465396169 0.22386186254883 0.11359570848592 15.999 12 O 0.32213329466238 0.22933469283056 0.89212457621655 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.895040520000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.936685279999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.139366060000000 Atomic positions (fractional): 1 Ta 0.00000000000000 0.00000000000000 0.40830069401224 180.948 > 1 2 Ta 0.50000000000000 0.00000000000000 0.40830069401224 180.948 > 1 3 Ta 0.00000000000000 0.33333333333333 0.40830069401224 180.948 > 1 4 Ta 0.50000000000000 0.33333333333333 0.40830069401224 180.948 > 1 5 Ta 0.00000000000000 0.66666666666667 0.40830069401224 180.948 > 1 6 Ta 0.50000000000000 0.66666666666667 0.40830069401224 180.948 > 1 7 Ta 0.00000000000000 0.00000000000000 0.90830069401224 180.948 > 1 8 Ta 0.50000000000000 0.00000000000000 0.90830069401224 180.948 > 1 9 Ta 0.00000000000000 0.33333333333333 0.90830069401224 180.948 > 1 10 Ta 0.50000000000000 0.33333333333333 0.90830069401224 180.948 > 1 11 Ta 0.00000000000000 0.66666666666667 0.90830069401224 180.948 > 1 12 Ta 0.50000000000000 0.66666666666667 0.90830069401224 180.948 > 1 13 Ta 0.00000000000000 0.16666666666667 0.15830069401224 180.948 > 13 14 Ta 0.50000000000000 0.16666666666667 0.15830069401224 180.948 > 13 15 Ta 0.00000000000000 0.50000000000000 0.15830069401224 180.948 > 13 16 Ta 0.50000000000000 0.50000000000000 0.15830069401224 180.948 > 13 17 Ta 0.00000000000000 0.83333333333333 0.15830069401224 180.948 > 13 18 Ta 0.50000000000000 0.83333333333333 0.15830069401224 180.948 > 13 19 Ta 0.00000000000000 0.16666666666667 0.65830069401224 180.948 > 13 20 Ta 0.50000000000000 0.16666666666667 0.65830069401224 180.948 > 13 21 Ta 0.00000000000000 0.50000000000000 0.65830069401224 180.948 > 13 22 Ta 0.50000000000000 0.50000000000000 0.65830069401224 180.948 > 13 23 Ta 0.00000000000000 0.83333333333333 0.65830069401224 180.948 > 13 24 Ta 0.50000000000000 0.83333333333333 0.65830069401224 180.948 > 13 25 Ga 0.25000000000000 0.00000000000000 0.08597901128529 69.723 > 25 26 Ga 0.75000000000000 0.00000000000000 0.08597901128529 69.723 > 25 27 Ga 0.25000000000000 0.33333333333333 0.08597901128529 69.723 > 25 28 Ga 0.75000000000000 0.33333333333333 0.08597901128529 69.723 > 25 29 Ga 0.25000000000000 0.66666666666667 0.08597901128529 69.723 > 25 30 Ga 0.75000000000000 0.66666666666667 0.08597901128529 69.723 > 25 31 Ga 0.25000000000000 0.00000000000000 0.58597901128529 69.723 > 25 32 Ga 0.75000000000000 0.00000000000000 0.58597901128529 69.723 > 25 33 Ga 0.25000000000000 0.33333333333333 0.58597901128529 69.723 > 25 34 Ga 0.75000000000000 0.33333333333333 0.58597901128529 69.723 > 25 35 Ga 0.25000000000000 0.66666666666667 0.58597901128529 69.723 > 25 36 Ga 0.75000000000000 0.66666666666667 0.58597901128529 69.723 > 25 37 Ga 0.25000000000000 0.16666666666667 0.33597901128529 69.723 > 37 38 Ga 0.75000000000000 0.16666666666667 0.33597901128529 69.723 > 37 39 Ga 0.25000000000000 0.50000000000000 0.33597901128529 69.723 > 37 40 Ga 0.75000000000000 0.50000000000000 0.33597901128529 69.723 > 37 41 Ga 0.25000000000000 0.83333333333333 0.33597901128529 69.723 > 37 42 Ga 0.75000000000000 0.83333333333333 0.33597901128529 69.723 > 37 43 Ga 0.25000000000000 0.16666666666667 0.83597901128529 69.723 > 37 44 Ga 0.75000000000000 0.16666666666667 0.83597901128529 69.723 > 37 45 Ga 0.25000000000000 0.50000000000000 0.83597901128529 69.723 > 37 46 Ga 0.75000000000000 0.50000000000000 0.83597901128529 69.723 > 37 47 Ga 0.25000000000000 0.83333333333333 0.83597901128529 69.723 > 37 48 Ga 0.75000000000000 0.83333333333333 0.83597901128529 69.723 > 37 49 O 0.08526267301915 0.25871271248372 0.05679785424296 15.999 > 49 50 O 0.58526267301915 0.25871271248372 0.05679785424296 15.999 > 49 51 O 0.08526267301915 0.59204604581706 0.05679785424296 15.999 > 49 52 O 0.58526267301915 0.59204604581706 0.05679785424296 15.999 > 49 53 O 0.08526267301915 0.92537937915039 0.05679785424296 15.999 > 49 54 O 0.58526267301915 0.92537937915039 0.05679785424296 15.999 > 49 55 O 0.08526267301915 0.25871271248372 0.55679785424296 15.999 > 49 56 O 0.58526267301915 0.25871271248372 0.55679785424296 15.999 > 49 57 O 0.08526267301915 0.59204604581706 0.55679785424296 15.999 > 49 58 O 0.58526267301915 0.59204604581706 0.55679785424296 15.999 > 49 59 O 0.08526267301915 0.92537937915039 0.55679785424296 15.999 > 49 60 O 0.58526267301915 0.92537937915039 0.55679785424296 15.999 > 49 61 O 0.33893335266881 0.25688843572314 0.44606228810827 15.999 > 61 62 O 0.83893335266881 0.25688843572314 0.44606228810827 15.999 > 61 63 O 0.33893335266881 0.59022176905648 0.44606228810827 15.999 > 61 64 O 0.83893335266881 0.59022176905648 0.44606228810827 15.999 > 61 65 O 0.33893335266881 0.92355510238981 0.44606228810827 15.999 > 61 66 O 0.83893335266881 0.92355510238981 0.44606228810827 15.999 > 61 67 O 0.33893335266881 0.25688843572314 0.94606228810827 15.999 > 61 68 O 0.83893335266881 0.25688843572314 0.94606228810827 15.999 > 61 69 O 0.33893335266881 0.59022176905648 0.94606228810827 15.999 > 61 70 O 0.83893335266881 0.59022176905648 0.94606228810827 15.999 > 61 71 O 0.33893335266881 0.92355510238981 0.94606228810827 15.999 > 61 72 O 0.83893335266881 0.92355510238981 0.94606228810827 15.999 > 61 73 O 0.33893335266881 0.24311156427686 0.19606228810827 15.999 > 73 74 O 0.83893335266881 0.24311156427686 0.19606228810827 15.999 > 73 75 O 0.33893335266881 0.57644489761019 0.19606228810827 15.999 > 73 76 O 0.83893335266881 0.57644489761019 0.19606228810827 15.999 > 73 77 O 0.33893335266881 0.90977823094352 0.19606228810827 15.999 > 73 78 O 0.83893335266881 0.90977823094352 0.19606228810827 15.999 > 73 79 O 0.33893335266881 0.24311156427686 0.69606228810827 15.999 > 73 80 O 0.83893335266881 0.24311156427686 0.69606228810827 15.999 > 73 81 O 0.33893335266881 0.57644489761019 0.69606228810827 15.999 > 73 82 O 0.83893335266881 0.57644489761019 0.69606228810827 15.999 > 73 83 O 0.33893335266881 0.90977823094352 0.69606228810827 15.999 > 73 84 O 0.83893335266881 0.90977823094352 0.69606228810827 15.999 > 73 85 O 0.08526267301915 0.24128728751628 0.30679785424296 15.999 > 85 86 O 0.58526267301915 0.24128728751628 0.30679785424296 15.999 > 85 87 O 0.08526267301915 0.57462062084961 0.30679785424296 15.999 > 85 88 O 0.58526267301915 0.57462062084961 0.30679785424296 15.999 > 85 89 O 0.08526267301915 0.90795395418294 0.30679785424296 15.999 > 85 90 O 0.58526267301915 0.90795395418294 0.30679785424296 15.999 > 85 91 O 0.08526267301915 0.24128728751628 0.80679785424296 15.999 > 85 92 O 0.58526267301915 0.24128728751628 0.80679785424296 15.999 > 85 93 O 0.08526267301915 0.57462062084961 0.80679785424296 15.999 > 85 94 O 0.58526267301915 0.57462062084961 0.80679785424296 15.999 > 85 95 O 0.08526267301915 0.90795395418294 0.80679785424296 15.999 > 85 96 O 0.58526267301915 0.90795395418294 0.80679785424296 15.999 > 85 97 O 0.16106664733119 0.09022176905648 0.19606228810827 15.999 > 97 98 O 0.66106664733119 0.09022176905648 0.19606228810827 15.999 > 97 99 O 0.16106664733119 0.42355510238981 0.19606228810827 15.999 > 97 100 O 0.66106664733119 0.42355510238981 0.19606228810827 15.999 > 97 101 O 0.16106664733119 0.75688843572314 0.19606228810827 15.999 > 97 102 O 0.66106664733119 0.75688843572314 0.19606228810827 15.999 > 97 103 O 0.16106664733119 0.09022176905648 0.69606228810827 15.999 > 97 104 O 0.66106664733119 0.09022176905648 0.69606228810827 15.999 > 97 105 O 0.16106664733119 0.42355510238981 0.69606228810827 15.999 > 97 106 O 0.66106664733119 0.42355510238981 0.69606228810827 15.999 > 97 107 O 0.16106664733119 0.75688843572314 0.69606228810827 15.999 > 97 108 O 0.66106664733119 0.75688843572314 0.69606228810827 15.999 > 97 109 O 0.41473732698085 0.09204604581706 0.30679785424296 15.999 > 109 110 O 0.91473732698085 0.09204604581706 0.30679785424296 15.999 > 109 111 O 0.41473732698085 0.42537937915039 0.30679785424296 15.999 > 109 112 O 0.91473732698085 0.42537937915039 0.30679785424296 15.999 > 109 113 O 0.41473732698085 0.75871271248372 0.30679785424296 15.999 > 109 114 O 0.91473732698085 0.75871271248372 0.30679785424296 15.999 > 109 115 O 0.41473732698085 0.09204604581706 0.80679785424296 15.999 > 109 116 O 0.91473732698085 0.09204604581706 0.80679785424296 15.999 > 109 117 O 0.41473732698085 0.42537937915039 0.80679785424296 15.999 > 109 118 O 0.91473732698085 0.42537937915039 0.80679785424296 15.999 > 109 119 O 0.41473732698085 0.75871271248372 0.80679785424296 15.999 > 109 120 O 0.91473732698085 0.75871271248372 0.80679785424296 15.999 > 109 121 O 0.41473732698085 0.07462062084961 0.05679785424296 15.999 > 121 122 O 0.91473732698085 0.07462062084961 0.05679785424296 15.999 > 121 123 O 0.41473732698085 0.40795395418294 0.05679785424296 15.999 > 121 124 O 0.91473732698085 0.40795395418294 0.05679785424296 15.999 > 121 125 O 0.41473732698085 0.74128728751628 0.05679785424296 15.999 > 121 126 O 0.91473732698085 0.74128728751628 0.05679785424296 15.999 > 121 127 O 0.41473732698085 0.07462062084961 0.55679785424296 15.999 > 121 128 O 0.91473732698085 0.07462062084961 0.55679785424296 15.999 > 121 129 O 0.41473732698085 0.40795395418294 0.55679785424296 15.999 > 121 130 O 0.91473732698085 0.40795395418294 0.55679785424296 15.999 > 121 131 O 0.41473732698085 0.74128728751628 0.55679785424296 15.999 > 121 132 O 0.91473732698085 0.74128728751628 0.55679785424296 15.999 > 121 133 O 0.16106664733119 0.07644489761019 0.44606228810827 15.999 > 133 134 O 0.66106664733119 0.07644489761019 0.44606228810827 15.999 > 133 135 O 0.16106664733119 0.40977823094352 0.44606228810827 15.999 > 133 136 O 0.66106664733119 0.40977823094352 0.44606228810827 15.999 > 133 137 O 0.16106664733119 0.74311156427685 0.44606228810827 15.999 > 133 138 O 0.66106664733119 0.74311156427685 0.44606228810827 15.999 > 133 139 O 0.16106664733119 0.07644489761019 0.94606228810827 15.999 > 133 140 O 0.66106664733119 0.07644489761019 0.94606228810827 15.999 > 133 141 O 0.16106664733119 0.40977823094352 0.94606228810827 15.999 > 133 142 O 0.66106664733119 0.40977823094352 0.94606228810827 15.999 > 133 143 O 0.16106664733119 0.74311156427685 0.94606228810827 15.999 > 133 144 O 0.66106664733119 0.74311156427685 0.94606228810827 15.999 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2068309 0.0000000 0.0000000 0.0000000 5.4355621 0.0000000 0.0000000 0.0000000 4.9469521 -------------------------- Born effective charges -------------------------- 1 Ta 5.6000429 0.5619381 0.0000000 -0.3275021 7.2269947 -0.0000000 0.0000000 0.0000000 6.2958126 2 Ta 5.6000429 -0.5619381 0.0000000 0.3275021 7.2269947 -0.0000000 0.0000000 0.0000000 6.2958126 3 Ga 4.3991465 -0.7036175 0.0000000 0.0579331 3.5555649 -0.0000000 0.0000000 0.0000000 3.2945857 4 Ga 4.3991465 0.7036175 0.0000000 -0.0579331 3.5555649 -0.0000000 0.0000000 0.0000000 3.2945857 5 O -2.0660447 -0.5828518 0.0559582 -0.7254227 -3.0684866 1.6202810 0.2984439 1.4965380 -2.7789971 6 O -2.9335500 -0.8726703 0.3871155 -1.0992993 -2.3227932 -0.1101714 0.1939607 -0.2908153 -2.0162020 7 O -2.9335500 0.8726703 0.3871155 1.0992993 -2.3227932 0.1101714 0.1939607 0.2908153 -2.0162020 8 O -2.0660447 0.5828518 0.0559582 0.7254227 -3.0684866 -1.6202810 0.2984439 -1.4965380 -2.7789971 9 O -2.9335500 0.8726703 -0.3871155 1.0992993 -2.3227932 -0.1101714 -0.1939607 -0.2908153 -2.0162020 10 O -2.0660447 0.5828518 -0.0559582 0.7254227 -3.0684866 1.6202810 -0.2984439 1.4965380 -2.7789971 11 O -2.0660447 -0.5828518 -0.0559582 -0.7254227 -3.0684866 -1.6202810 -0.2984439 -1.4965380 -2.7789971 12 O -2.9335500 -0.8726703 -0.3871155 -1.0992993 -2.3227932 0.1101714 -0.1939607 0.2908153 -2.0162020 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xy) 0.00000002 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:05:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:05:53]------------------------- 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): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnc2 (30) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.947520260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.645561760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.569683030000000 Atomic positions (fractional): 1 Ta 0.00000000000000 0.00000000000000 0.81660138802448 180.948 2 Ta 0.00000000000000 0.50000000000000 0.31660138802448 180.948 3 Ga 0.50000000000000 0.00000000000000 0.17195802257059 69.723 4 Ga 0.50000000000000 0.50000000000000 0.67195802257059 69.723 5 O 0.17052534603831 0.77613813745117 0.11359570848592 15.999 6 O 0.67786670533762 0.77066530716943 0.89212457621655 15.999 7 O 0.67786670533762 0.72933469283057 0.39212457621655 15.999 8 O 0.17052534603831 0.72386186254883 0.61359570848592 15.999 9 O 0.32213329466238 0.27066530716943 0.39212457621655 15.999 10 O 0.82947465396169 0.27613813745117 0.61359570848592 15.999 11 O 0.82947465396169 0.22386186254883 0.11359570848592 15.999 12 O 0.32213329466238 0.22933469283056 0.89212457621655 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.895040520000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.936685279999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.139366060000000 Atomic positions (fractional): 1 Ta 0.00000000000000 0.00000000000000 0.40830069401224 180.948 > 1 2 Ta 0.50000000000000 0.00000000000000 0.40830069401224 180.948 > 1 3 Ta 0.00000000000000 0.33333333333333 0.40830069401224 180.948 > 1 4 Ta 0.50000000000000 0.33333333333333 0.40830069401224 180.948 > 1 5 Ta 0.00000000000000 0.66666666666667 0.40830069401224 180.948 > 1 6 Ta 0.50000000000000 0.66666666666667 0.40830069401224 180.948 > 1 7 Ta 0.00000000000000 0.00000000000000 0.90830069401224 180.948 > 1 8 Ta 0.50000000000000 0.00000000000000 0.90830069401224 180.948 > 1 9 Ta 0.00000000000000 0.33333333333333 0.90830069401224 180.948 > 1 10 Ta 0.50000000000000 0.33333333333333 0.90830069401224 180.948 > 1 11 Ta 0.00000000000000 0.66666666666667 0.90830069401224 180.948 > 1 12 Ta 0.50000000000000 0.66666666666667 0.90830069401224 180.948 > 1 13 Ta 0.00000000000000 0.16666666666667 0.15830069401224 180.948 > 13 14 Ta 0.50000000000000 0.16666666666667 0.15830069401224 180.948 > 13 15 Ta 0.00000000000000 0.50000000000000 0.15830069401224 180.948 > 13 16 Ta 0.50000000000000 0.50000000000000 0.15830069401224 180.948 > 13 17 Ta 0.00000000000000 0.83333333333333 0.15830069401224 180.948 > 13 18 Ta 0.50000000000000 0.83333333333333 0.15830069401224 180.948 > 13 19 Ta 0.00000000000000 0.16666666666667 0.65830069401224 180.948 > 13 20 Ta 0.50000000000000 0.16666666666667 0.65830069401224 180.948 > 13 21 Ta 0.00000000000000 0.50000000000000 0.65830069401224 180.948 > 13 22 Ta 0.50000000000000 0.50000000000000 0.65830069401224 180.948 > 13 23 Ta 0.00000000000000 0.83333333333333 0.65830069401224 180.948 > 13 24 Ta 0.50000000000000 0.83333333333333 0.65830069401224 180.948 > 13 25 Ga 0.25000000000000 0.00000000000000 0.08597901128529 69.723 > 25 26 Ga 0.75000000000000 0.00000000000000 0.08597901128529 69.723 > 25 27 Ga 0.25000000000000 0.33333333333333 0.08597901128529 69.723 > 25 28 Ga 0.75000000000000 0.33333333333333 0.08597901128529 69.723 > 25 29 Ga 0.25000000000000 0.66666666666667 0.08597901128529 69.723 > 25 30 Ga 0.75000000000000 0.66666666666667 0.08597901128529 69.723 > 25 31 Ga 0.25000000000000 0.00000000000000 0.58597901128529 69.723 > 25 32 Ga 0.75000000000000 0.00000000000000 0.58597901128529 69.723 > 25 33 Ga 0.25000000000000 0.33333333333333 0.58597901128529 69.723 > 25 34 Ga 0.75000000000000 0.33333333333333 0.58597901128529 69.723 > 25 35 Ga 0.25000000000000 0.66666666666667 0.58597901128529 69.723 > 25 36 Ga 0.75000000000000 0.66666666666667 0.58597901128529 69.723 > 25 37 Ga 0.25000000000000 0.16666666666667 0.33597901128529 69.723 > 37 38 Ga 0.75000000000000 0.16666666666667 0.33597901128529 69.723 > 37 39 Ga 0.25000000000000 0.50000000000000 0.33597901128529 69.723 > 37 40 Ga 0.75000000000000 0.50000000000000 0.33597901128529 69.723 > 37 41 Ga 0.25000000000000 0.83333333333333 0.33597901128529 69.723 > 37 42 Ga 0.75000000000000 0.83333333333333 0.33597901128529 69.723 > 37 43 Ga 0.25000000000000 0.16666666666667 0.83597901128529 69.723 > 37 44 Ga 0.75000000000000 0.16666666666667 0.83597901128529 69.723 > 37 45 Ga 0.25000000000000 0.50000000000000 0.83597901128529 69.723 > 37 46 Ga 0.75000000000000 0.50000000000000 0.83597901128529 69.723 > 37 47 Ga 0.25000000000000 0.83333333333333 0.83597901128529 69.723 > 37 48 Ga 0.75000000000000 0.83333333333333 0.83597901128529 69.723 > 37 49 O 0.08526267301915 0.25871271248372 0.05679785424296 15.999 > 49 50 O 0.58526267301915 0.25871271248372 0.05679785424296 15.999 > 49 51 O 0.08526267301915 0.59204604581706 0.05679785424296 15.999 > 49 52 O 0.58526267301915 0.59204604581706 0.05679785424296 15.999 > 49 53 O 0.08526267301915 0.92537937915039 0.05679785424296 15.999 > 49 54 O 0.58526267301915 0.92537937915039 0.05679785424296 15.999 > 49 55 O 0.08526267301915 0.25871271248372 0.55679785424296 15.999 > 49 56 O 0.58526267301915 0.25871271248372 0.55679785424296 15.999 > 49 57 O 0.08526267301915 0.59204604581706 0.55679785424296 15.999 > 49 58 O 0.58526267301915 0.59204604581706 0.55679785424296 15.999 > 49 59 O 0.08526267301915 0.92537937915039 0.55679785424296 15.999 > 49 60 O 0.58526267301915 0.92537937915039 0.55679785424296 15.999 > 49 61 O 0.33893335266881 0.25688843572314 0.44606228810827 15.999 > 61 62 O 0.83893335266881 0.25688843572314 0.44606228810827 15.999 > 61 63 O 0.33893335266881 0.59022176905648 0.44606228810827 15.999 > 61 64 O 0.83893335266881 0.59022176905648 0.44606228810827 15.999 > 61 65 O 0.33893335266881 0.92355510238981 0.44606228810827 15.999 > 61 66 O 0.83893335266881 0.92355510238981 0.44606228810827 15.999 > 61 67 O 0.33893335266881 0.25688843572314 0.94606228810827 15.999 > 61 68 O 0.83893335266881 0.25688843572314 0.94606228810827 15.999 > 61 69 O 0.33893335266881 0.59022176905648 0.94606228810827 15.999 > 61 70 O 0.83893335266881 0.59022176905648 0.94606228810827 15.999 > 61 71 O 0.33893335266881 0.92355510238981 0.94606228810827 15.999 > 61 72 O 0.83893335266881 0.92355510238981 0.94606228810827 15.999 > 61 73 O 0.33893335266881 0.24311156427686 0.19606228810827 15.999 > 73 74 O 0.83893335266881 0.24311156427686 0.19606228810827 15.999 > 73 75 O 0.33893335266881 0.57644489761019 0.19606228810827 15.999 > 73 76 O 0.83893335266881 0.57644489761019 0.19606228810827 15.999 > 73 77 O 0.33893335266881 0.90977823094352 0.19606228810827 15.999 > 73 78 O 0.83893335266881 0.90977823094352 0.19606228810827 15.999 > 73 79 O 0.33893335266881 0.24311156427686 0.69606228810827 15.999 > 73 80 O 0.83893335266881 0.24311156427686 0.69606228810827 15.999 > 73 81 O 0.33893335266881 0.57644489761019 0.69606228810827 15.999 > 73 82 O 0.83893335266881 0.57644489761019 0.69606228810827 15.999 > 73 83 O 0.33893335266881 0.90977823094352 0.69606228810827 15.999 > 73 84 O 0.83893335266881 0.90977823094352 0.69606228810827 15.999 > 73 85 O 0.08526267301915 0.24128728751628 0.30679785424296 15.999 > 85 86 O 0.58526267301915 0.24128728751628 0.30679785424296 15.999 > 85 87 O 0.08526267301915 0.57462062084961 0.30679785424296 15.999 > 85 88 O 0.58526267301915 0.57462062084961 0.30679785424296 15.999 > 85 89 O 0.08526267301915 0.90795395418294 0.30679785424296 15.999 > 85 90 O 0.58526267301915 0.90795395418294 0.30679785424296 15.999 > 85 91 O 0.08526267301915 0.24128728751628 0.80679785424296 15.999 > 85 92 O 0.58526267301915 0.24128728751628 0.80679785424296 15.999 > 85 93 O 0.08526267301915 0.57462062084961 0.80679785424296 15.999 > 85 94 O 0.58526267301915 0.57462062084961 0.80679785424296 15.999 > 85 95 O 0.08526267301915 0.90795395418294 0.80679785424296 15.999 > 85 96 O 0.58526267301915 0.90795395418294 0.80679785424296 15.999 > 85 97 O 0.16106664733119 0.09022176905648 0.19606228810827 15.999 > 97 98 O 0.66106664733119 0.09022176905648 0.19606228810827 15.999 > 97 99 O 0.16106664733119 0.42355510238981 0.19606228810827 15.999 > 97 100 O 0.66106664733119 0.42355510238981 0.19606228810827 15.999 > 97 101 O 0.16106664733119 0.75688843572314 0.19606228810827 15.999 > 97 102 O 0.66106664733119 0.75688843572314 0.19606228810827 15.999 > 97 103 O 0.16106664733119 0.09022176905648 0.69606228810827 15.999 > 97 104 O 0.66106664733119 0.09022176905648 0.69606228810827 15.999 > 97 105 O 0.16106664733119 0.42355510238981 0.69606228810827 15.999 > 97 106 O 0.66106664733119 0.42355510238981 0.69606228810827 15.999 > 97 107 O 0.16106664733119 0.75688843572314 0.69606228810827 15.999 > 97 108 O 0.66106664733119 0.75688843572314 0.69606228810827 15.999 > 97 109 O 0.41473732698085 0.09204604581706 0.30679785424296 15.999 > 109 110 O 0.91473732698085 0.09204604581706 0.30679785424296 15.999 > 109 111 O 0.41473732698085 0.42537937915039 0.30679785424296 15.999 > 109 112 O 0.91473732698085 0.42537937915039 0.30679785424296 15.999 > 109 113 O 0.41473732698085 0.75871271248372 0.30679785424296 15.999 > 109 114 O 0.91473732698085 0.75871271248372 0.30679785424296 15.999 > 109 115 O 0.41473732698085 0.09204604581706 0.80679785424296 15.999 > 109 116 O 0.91473732698085 0.09204604581706 0.80679785424296 15.999 > 109 117 O 0.41473732698085 0.42537937915039 0.80679785424296 15.999 > 109 118 O 0.91473732698085 0.42537937915039 0.80679785424296 15.999 > 109 119 O 0.41473732698085 0.75871271248372 0.80679785424296 15.999 > 109 120 O 0.91473732698085 0.75871271248372 0.80679785424296 15.999 > 109 121 O 0.41473732698085 0.07462062084961 0.05679785424296 15.999 > 121 122 O 0.91473732698085 0.07462062084961 0.05679785424296 15.999 > 121 123 O 0.41473732698085 0.40795395418294 0.05679785424296 15.999 > 121 124 O 0.91473732698085 0.40795395418294 0.05679785424296 15.999 > 121 125 O 0.41473732698085 0.74128728751628 0.05679785424296 15.999 > 121 126 O 0.91473732698085 0.74128728751628 0.05679785424296 15.999 > 121 127 O 0.41473732698085 0.07462062084961 0.55679785424296 15.999 > 121 128 O 0.91473732698085 0.07462062084961 0.55679785424296 15.999 > 121 129 O 0.41473732698085 0.40795395418294 0.55679785424296 15.999 > 121 130 O 0.91473732698085 0.40795395418294 0.55679785424296 15.999 > 121 131 O 0.41473732698085 0.74128728751628 0.55679785424296 15.999 > 121 132 O 0.91473732698085 0.74128728751628 0.55679785424296 15.999 > 121 133 O 0.16106664733119 0.07644489761019 0.44606228810827 15.999 > 133 134 O 0.66106664733119 0.07644489761019 0.44606228810827 15.999 > 133 135 O 0.16106664733119 0.40977823094352 0.44606228810827 15.999 > 133 136 O 0.66106664733119 0.40977823094352 0.44606228810827 15.999 > 133 137 O 0.16106664733119 0.74311156427685 0.44606228810827 15.999 > 133 138 O 0.66106664733119 0.74311156427685 0.44606228810827 15.999 > 133 139 O 0.16106664733119 0.07644489761019 0.94606228810827 15.999 > 133 140 O 0.66106664733119 0.07644489761019 0.94606228810827 15.999 > 133 141 O 0.16106664733119 0.40977823094352 0.94606228810827 15.999 > 133 142 O 0.66106664733119 0.40977823094352 0.94606228810827 15.999 > 133 143 O 0.16106664733119 0.74311156427685 0.94606228810827 15.999 > 133 144 O 0.66106664733119 0.74311156427685 0.94606228810827 15.999 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2068309 0.0000000 0.0000000 0.0000000 5.4355621 0.0000000 0.0000000 0.0000000 4.9469521 -------------------------- Born effective charges -------------------------- 1 Ta 5.6000429 0.5619381 0.0000000 -0.3275021 7.2269947 -0.0000000 0.0000000 0.0000000 6.2958126 2 Ta 5.6000429 -0.5619381 0.0000000 0.3275021 7.2269947 -0.0000000 0.0000000 0.0000000 6.2958126 3 Ga 4.3991465 -0.7036175 0.0000000 0.0579331 3.5555649 -0.0000000 0.0000000 0.0000000 3.2945857 4 Ga 4.3991465 0.7036175 0.0000000 -0.0579331 3.5555649 -0.0000000 0.0000000 0.0000000 3.2945857 5 O -2.0660447 -0.5828518 0.0559582 -0.7254227 -3.0684866 1.6202810 0.2984439 1.4965380 -2.7789971 6 O -2.9335500 -0.8726703 0.3871155 -1.0992993 -2.3227932 -0.1101714 0.1939607 -0.2908153 -2.0162020 7 O -2.9335500 0.8726703 0.3871155 1.0992993 -2.3227932 0.1101714 0.1939607 0.2908153 -2.0162020 8 O -2.0660447 0.5828518 0.0559582 0.7254227 -3.0684866 -1.6202810 0.2984439 -1.4965380 -2.7789971 9 O -2.9335500 0.8726703 -0.3871155 1.0992993 -2.3227932 -0.1101714 -0.1939607 -0.2908153 -2.0162020 10 O -2.0660447 0.5828518 -0.0559582 0.7254227 -3.0684866 1.6202810 -0.2984439 1.4965380 -2.7789971 11 O -2.0660447 -0.5828518 -0.0559582 -0.7254227 -3.0684866 -1.6202810 -0.2984439 -1.4965380 -2.7789971 12 O -2.9335500 -0.8726703 -0.3871155 -1.0992993 -2.3227932 0.1101714 -0.1939607 0.2908153 -2.0162020 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 11 9 ] 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: 0.82, Number of G-points: 283, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/180) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 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 3.407 ( 0.000 0.000 0.000) 0.000 3.781 ( 0.000 0.000 0.000) 0.000 4.296 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 0.000) 0.000 5.389 ( 0.000 0.000 0.000) 0.000 5.449 ( 0.000 0.000 0.000) 0.000 6.247 ( 0.000 0.000 0.000) 0.000 6.556 ( 0.000 0.000 -0.000) 0.000 7.015 ( 0.000 0.000 0.000) 0.000 7.077 ( 0.000 0.000 0.000) 0.000 7.709 ( 0.000 0.000 -0.000) 0.000 7.745 ( 0.000 0.000 0.000) 0.000 9.280 ( 0.000 0.000 0.000) 0.000 9.718 ( 0.000 0.000 0.000) 0.000 9.757 ( 0.000 0.000 0.000) 0.000 9.770 ( 0.000 0.000 0.000) 0.000 10.512 ( 0.000 0.000 -0.000) 0.000 12.100 ( 0.000 0.000 -0.000) 0.000 12.212 ( 0.000 0.000 0.000) 0.000 12.543 ( 0.000 0.000 0.000) 0.000 13.265 ( 0.000 0.000 -0.000) 0.000 13.709 ( 0.000 0.000 0.000) 0.000 13.728 ( 0.000 0.000 0.000) 0.000 14.460 ( 0.000 0.000 0.000) 0.000 15.160 ( 0.000 0.000 0.000) 0.000 16.445 ( 0.000 0.000 -0.000) 0.000 16.926 ( 0.000 0.000 0.000) 0.000 18.731 ( 0.000 0.000 0.000) 0.000 19.369 ( 0.000 0.000 0.000) 0.000 20.130 ( 0.000 0.000 -0.000) 0.000 21.461 ( 0.000 0.000 0.000) 0.000 21.777 ( 0.000 0.000 0.000) 0.000 25.538 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/180) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 29.400 0.000 0.000) 29.400 0.718 ( 34.824 0.000 0.000) 34.824 1.264 ( 59.791 0.000 0.000) 59.791 3.760 ( 2.915 0.000 0.000) 2.915 4.013 ( 15.306 0.000 0.000) 15.306 4.145 ( -15.151 0.000 0.000) 15.151 4.970 ( -14.428 0.000 0.000) 14.428 5.418 ( -7.366 0.000 0.000) 7.366 5.432 ( 1.969 0.000 0.000) 1.969 6.267 ( 0.822 0.000 0.000) 0.822 6.846 ( 0.315 0.000 0.000) 0.315 6.896 ( 1.157 0.000 0.000) 1.157 7.399 ( 18.878 0.000 0.000) 18.878 7.758 ( 4.663 0.000 0.000) 4.663 8.809 ( -11.198 0.000 0.000) 11.198 9.250 ( -27.047 0.000 0.000) 27.047 9.406 ( 9.204 0.000 0.000) 9.204 10.183 ( 18.034 0.000 0.000) 18.034 10.269 ( -9.286 0.000 0.000) 9.286 10.646 ( -2.684 0.000 0.000) 2.684 12.082 ( -1.742 0.000 0.000) 1.742 12.151 ( -5.623 0.000 0.000) 5.623 13.099 ( -13.495 0.000 0.000) 13.495 13.406 ( -14.906 0.000 0.000) 14.906 13.904 ( 16.241 0.000 0.000) 16.241 14.038 ( 14.986 0.000 0.000) 14.986 14.594 ( 11.831 0.000 0.000) 11.831 15.200 ( 4.659 0.000 0.000) 4.659 16.757 ( -15.660 0.000 0.000) 15.660 18.768 ( 3.683 0.000 0.000) 3.683 19.302 ( -6.687 0.000 0.000) 6.687 20.218 ( 7.897 0.000 0.000) 7.897 20.780 ( -8.925 0.000 0.000) 8.925 21.814 ( 3.228 0.000 0.000) 3.228 22.726 ( 0.393 0.000 0.000) 0.393 25.536 ( -0.128 0.000 0.000) 0.128 ======================= Grid point 2 (3/180) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 27.256 0.000 0.000) 27.256 1.393 ( 31.603 0.000 0.000) 31.603 2.347 ( 44.770 0.000 0.000) 44.770 3.712 ( -25.734 0.000 0.000) 25.734 3.926 ( 14.703 0.000 0.000) 14.703 4.396 ( 21.936 0.000 0.000) 21.936 4.688 ( -14.434 0.000 0.000) 14.434 5.152 ( -16.415 0.000 0.000) 16.415 5.485 ( 3.163 0.000 0.000) 3.163 6.271 ( 0.165 0.000 0.000) 0.165 6.855 ( 0.630 0.000 0.000) 0.630 7.046 ( 11.137 0.000 0.000) 11.137 7.771 ( 17.101 0.000 0.000) 17.101 7.886 ( 7.547 0.000 0.000) 7.547 8.558 ( -13.055 0.000 0.000) 13.055 8.697 ( -26.824 0.000 0.000) 26.824 9.585 ( 7.806 0.000 0.000) 7.806 9.999 ( -16.985 0.000 0.000) 16.985 10.492 ( 12.500 0.000 0.000) 12.500 10.578 ( -3.515 0.000 0.000) 3.515 12.008 ( -7.841 0.000 0.000) 7.841 12.034 ( -2.845 0.000 0.000) 2.845 12.803 ( -14.537 0.000 0.000) 14.537 13.129 ( -12.312 0.000 0.000) 12.312 14.244 ( 14.720 0.000 0.000) 14.720 14.316 ( 12.283 0.000 0.000) 12.283 14.858 ( 11.890 0.000 0.000) 11.890 15.414 ( 18.748 0.000 0.000) 18.748 16.359 ( -21.818 0.000 0.000) 21.818 18.879 ( 7.286 0.000 0.000) 7.286 19.096 ( -13.820 0.000 0.000) 13.820 20.407 ( 9.893 0.000 0.000) 9.893 20.543 ( -13.815 0.000 0.000) 13.815 21.885 ( 3.356 0.000 0.000) 3.356 22.737 ( 0.633 0.000 0.000) 0.633 25.534 ( -0.092 0.000 0.000) 0.092 ======================= Grid point 3 (4/180) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 22.919 0.000 0.000) 22.919 1.975 ( 25.071 0.000 0.000) 25.071 2.974 ( 17.156 0.000 0.000) 17.156 3.205 ( -21.676 0.000 0.000) 21.676 4.320 ( -22.573 0.000 0.000) 22.573 4.387 ( 29.137 0.000 0.000) 29.137 4.864 ( -10.655 0.000 0.000) 10.655 4.873 ( 24.618 0.000 0.000) 24.618 5.549 ( 2.816 0.000 0.000) 2.816 6.288 ( 1.551 0.000 0.000) 1.551 6.871 ( 0.992 0.000 0.000) 0.992 7.273 ( 10.288 0.000 0.000) 10.288 8.010 ( 0.947 0.000 0.000) 0.947 8.013 ( -1.056 0.000 0.000) 1.056 8.252 ( -8.923 0.000 0.000) 8.923 8.332 ( -5.436 0.000 0.000) 5.436 9.602 ( -21.117 0.000 0.000) 21.117 9.700 ( 2.792 0.000 0.000) 2.792 10.523 ( -1.518 0.000 0.000) 1.518 10.686 ( 6.746 0.000 0.000) 6.746 11.855 ( -6.862 0.000 0.000) 6.862 11.976 ( -2.736 0.000 0.000) 2.736 12.548 ( -10.159 0.000 0.000) 10.159 12.914 ( -8.899 0.000 0.000) 8.899 14.441 ( 4.838 0.000 0.000) 4.838 14.527 ( 8.517 0.000 0.000) 8.517 15.042 ( 7.197 0.000 0.000) 7.197 15.815 ( -3.796 0.000 0.000) 3.796 16.092 ( 19.191 0.000 0.000) 19.191 18.740 ( -21.403 0.000 0.000) 21.403 19.061 ( 10.588 0.000 0.000) 10.588 20.241 ( -15.782 0.000 0.000) 15.782 20.589 ( 7.626 0.000 0.000) 7.626 21.941 ( 2.146 0.000 0.000) 2.146 22.750 ( 0.612 0.000 0.000) 0.612 25.533 ( 0.045 0.000 0.000) 0.045 ======================= Grid point 4 (5/180) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 14.554 0.000 0.000) 14.554 2.317 ( 5.773 0.000 0.000) 5.773 2.988 ( 4.395 0.000 0.000) 4.395 3.142 ( 2.307 0.000 0.000) 2.307 3.820 ( -25.393 0.000 0.000) 25.393 4.715 ( -4.695 0.000 0.000) 4.695 4.936 ( 21.573 0.000 0.000) 21.573 5.341 ( 18.070 0.000 0.000) 18.070 5.601 ( 3.645 0.000 0.000) 3.645 6.328 ( 2.072 0.000 0.000) 2.072 6.896 ( 1.386 0.000 0.000) 1.386 7.434 ( 5.204 0.000 0.000) 5.204 7.744 ( -13.077 0.000 0.000) 13.077 7.839 ( -12.515 0.000 0.000) 12.515 8.344 ( 6.498 0.000 0.000) 6.498 8.444 ( 12.380 0.000 0.000) 12.380 9.164 ( -21.222 0.000 0.000) 21.222 9.717 ( -0.710 0.000 0.000) 0.710 10.518 ( 0.603 0.000 0.000) 0.603 10.773 ( 2.207 0.000 0.000) 2.207 11.744 ( -3.895 0.000 0.000) 3.895 11.931 ( -1.570 0.000 0.000) 1.570 12.401 ( -4.431 0.000 0.000) 4.431 12.774 ( -4.803 0.000 0.000) 4.803 14.473 ( -0.549 0.000 0.000) 0.549 14.657 ( 4.311 0.000 0.000) 4.311 15.173 ( 5.925 0.000 0.000) 5.925 15.548 ( -12.199 0.000 0.000) 12.199 16.789 ( 37.805 0.000 0.000) 37.805 18.233 ( -28.488 0.000 0.000) 28.488 19.303 ( 13.205 0.000 0.000) 13.205 19.917 ( -15.967 0.000 0.000) 15.967 20.706 ( 3.916 0.000 0.000) 3.916 21.972 ( 0.950 0.000 0.000) 0.950 22.760 ( 0.360 0.000 0.000) 0.360 25.535 ( 0.093 0.000 0.000) 0.093 ======================= Grid point 5 (6/180) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 0.000 0.000 0.000) 0.000 2.325 ( 0.000 0.000 0.000) 0.000 3.152 ( 0.000 0.000 0.000) 0.000 3.240 ( -0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 5.175 ( 0.000 0.000 0.000) 0.000 5.468 ( 0.000 0.000 0.000) 0.000 5.708 ( 0.000 0.000 0.000) 0.000 6.353 ( 0.000 0.000 0.000) 0.000 6.915 ( 0.000 0.000 0.000) 0.000 7.477 ( 0.000 0.000 0.000) 0.000 7.615 ( 0.000 0.000 0.000) 0.000 7.682 ( 0.000 0.000 0.000) 0.000 8.413 ( 0.000 0.000 0.000) 0.000 8.704 ( -0.000 0.000 0.000) 0.000 8.814 ( 0.000 0.000 0.000) 0.000 9.704 ( 0.000 0.000 0.000) 0.000 10.528 ( 0.000 0.000 0.000) 0.000 10.792 ( 0.000 0.000 0.000) 0.000 11.704 ( 0.000 0.000 0.000) 0.000 11.915 ( 0.000 0.000 0.000) 0.000 12.358 ( 0.000 0.000 0.000) 0.000 12.725 ( 0.000 0.000 0.000) 0.000 14.461 ( 0.000 0.000 0.000) 0.000 14.701 ( 0.000 0.000 0.000) 0.000 15.260 ( 0.000 0.000 0.000) 0.000 15.397 ( 0.000 0.000 0.000) 0.000 17.414 ( 0.000 0.000 0.000) 0.000 17.707 ( -0.000 0.000 0.000) 0.000 19.554 ( -0.000 0.000 0.000) 0.000 19.638 ( 0.000 0.000 0.000) 0.000 20.746 ( 0.000 0.000 0.000) 0.000 21.981 ( 0.000 0.000 0.000) 0.000 22.764 ( 0.000 0.000 0.000) 0.000 25.536 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/180) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 0.000 31.033 0.000) 31.033 0.685 ( 0.000 34.410 0.000) 34.410 1.246 ( 0.000 62.758 0.000) 62.758 3.424 ( 0.000 1.635 0.000) 1.635 3.779 ( 0.000 -0.284 0.000) 0.284 4.377 ( 0.000 5.707 0.000) 5.707 5.199 ( 0.000 1.414 0.000) 1.414 5.310 ( 0.000 -6.351 0.000) 6.351 5.487 ( 0.000 2.217 0.000) 2.217 6.547 ( 0.000 -0.817 0.000) 0.817 6.985 ( 0.000 -5.968 0.000) 5.968 6.991 ( 0.000 -2.336 0.000) 2.336 7.771 ( 0.000 2.461 0.000) 2.461 7.802 ( 0.000 8.495 0.000) 8.495 8.849 ( 0.000 5.782 0.000) 5.782 9.230 ( 0.000 -5.202 0.000) 5.202 9.437 ( 0.000 -20.651 0.000) 20.651 9.759 ( 0.000 -7.800 0.000) 7.800 9.840 ( 0.000 0.720 0.000) 0.720 10.491 ( 0.000 -2.801 0.000) 2.801 12.040 ( 0.000 -6.084 0.000) 6.084 12.158 ( 0.000 -5.239 0.000) 5.239 12.625 ( 0.000 8.059 0.000) 8.059 13.402 ( 0.000 13.170 0.000) 13.170 13.526 ( 0.000 -9.802 0.000) 9.802 13.980 ( 0.000 11.147 0.000) 11.147 14.826 ( 0.000 4.013 0.000) 4.013 16.367 ( 0.000 -8.622 0.000) 8.622 16.932 ( 0.000 1.506 0.000) 1.506 18.591 ( 0.000 -11.132 0.000) 11.132 19.054 ( 0.000 2.942 0.000) 2.942 19.323 ( 0.000 -4.663 0.000) 4.663 21.484 ( 0.000 2.195 0.000) 2.195 21.765 ( 0.000 -1.100 0.000) 1.100 24.288 ( 0.000 3.872 0.000) 3.872 25.515 ( 0.000 -2.349 0.000) 2.349 ======================= Grid point 12 (8/180) ======================= q-point: ( 0.10 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 22.185 21.042 0.000) 30.576 0.920 ( 19.923 22.452 0.000) 30.017 1.784 ( 42.084 42.723 0.000) 59.969 3.710 ( 10.984 -3.733 0.000) 11.601 3.861 ( 15.338 -5.239 0.000) 16.208 4.202 ( -15.533 5.329 0.000) 16.422 4.998 ( -13.974 2.069 0.000) 14.127 5.353 ( -0.977 -4.708 0.000) 4.808 5.464 ( -2.697 2.107 0.000) 3.423 6.528 ( -0.308 4.780 0.000) 4.790 6.849 ( -3.631 -1.388 0.000) 3.887 7.183 ( -10.919 19.608 0.000) 22.443 7.350 ( 9.112 0.583 0.000) 9.131 7.854 ( 4.852 8.303 0.000) 9.617 8.804 ( -8.516 0.304 0.000) 8.521 9.088 ( -21.768 -14.006 0.000) 25.884 9.362 ( 7.622 -5.052 0.000) 9.145 9.977 ( 10.645 -15.978 0.000) 19.199 10.148 ( 5.974 -8.738 0.000) 10.585 10.596 ( 8.424 -3.300 0.000) 9.047 12.023 ( -2.439 -5.186 0.000) 5.731 12.114 ( -3.233 -4.135 0.000) 5.248 12.862 ( 12.652 -17.823 0.000) 21.857 13.218 ( -11.687 10.050 0.000) 15.414 13.754 ( 16.853 -6.550 0.000) 18.081 14.069 ( 9.360 10.601 0.000) 14.142 14.807 ( -0.595 4.829 0.000) 4.865 15.943 ( -24.023 32.196 0.000) 40.171 16.602 ( -17.480 -11.314 0.000) 20.823 18.713 ( 4.491 -6.555 0.000) 7.946 19.248 ( -5.715 -6.173 0.000) 8.413 19.579 ( 32.077 -22.017 0.000) 38.906 21.122 ( -22.895 9.751 0.000) 24.885 21.977 ( 10.826 2.727 0.000) 11.164 23.461 ( -42.196 43.187 0.000) 60.378 25.515 ( -0.213 -2.346 0.000) 2.355 ======================= Grid point 13 (9/180) ======================= q-point: ( 0.20 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 24.913 14.733 0.000) 28.944 1.421 ( 27.159 5.146 0.000) 27.642 2.633 ( 36.708 25.793 0.000) 44.864 3.677 ( -19.226 -2.897 0.000) 19.443 3.976 ( 6.200 4.344 0.000) 7.570 4.288 ( 20.203 -8.258 0.000) 21.825 4.724 ( -12.510 2.886 0.000) 12.839 5.170 ( -11.928 1.534 0.000) 12.026 5.494 ( 3.880 1.181 0.000) 4.055 6.492 ( -2.823 14.386 0.000) 14.660 6.854 ( 2.545 -0.893 0.000) 2.697 7.096 ( 4.087 8.190 0.000) 9.153 7.670 ( 15.686 -7.411 0.000) 17.349 7.978 ( 6.284 6.519 0.000) 9.054 8.592 ( -17.743 -4.791 0.000) 18.378 8.616 ( -16.293 0.478 0.000) 16.300 9.526 ( 7.185 -6.185 0.000) 9.481 9.920 ( -13.373 -7.447 0.000) 15.306 10.305 ( 10.097 -11.817 0.000) 15.543 10.672 ( 0.003 2.796 0.000) 2.796 11.907 ( -8.349 -6.229 0.000) 10.417 12.079 ( -0.559 0.436 0.000) 0.709 12.841 ( -11.354 -2.369 0.000) 11.599 13.053 ( -5.564 1.193 0.000) 5.690 14.126 ( 17.168 -8.451 0.000) 19.135 14.342 ( 14.734 5.364 0.000) 15.679 14.861 ( 6.952 -0.180 0.000) 6.954 15.727 ( 1.230 23.112 0.000) 23.144 16.234 ( -18.323 -11.407 0.000) 21.583 18.776 ( -0.026 -9.258 0.000) 9.258 19.090 ( -7.418 -2.218 0.000) 7.743 20.087 ( 17.755 -22.716 0.000) 28.832 20.703 ( -17.754 12.414 0.000) 21.664 22.142 ( 5.810 12.214 0.000) 13.525 22.935 ( -14.172 22.558 0.000) 26.640 25.508 ( -0.399 -2.689 0.000) 2.719 ======================= Grid point 14 (10/180) ======================= q-point: ( 0.30 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 21.624 11.394 0.000) 24.442 1.941 ( 23.101 -2.151 0.000) 23.201 3.120 ( 8.954 11.727 0.000) 14.755 3.223 ( -17.614 3.340 0.000) 17.928 4.233 ( -2.407 -8.713 0.000) 9.040 4.310 ( -4.048 -5.136 0.000) 6.540 4.804 ( 20.760 0.589 0.000) 20.768 5.081 ( 6.215 12.210 0.000) 13.700 5.577 ( 3.937 3.020 0.000) 4.962 6.459 ( -0.237 13.822 0.000) 13.824 6.887 ( 0.960 1.771 0.000) 2.015 7.247 ( 8.279 -1.329 0.000) 8.385 7.882 ( -2.811 -10.067 0.000) 10.452 8.036 ( 2.111 2.000 0.000) 2.908 8.206 ( -11.414 -2.992 0.000) 11.800 8.480 ( -0.113 11.072 0.000) 11.072 9.571 ( -18.536 -3.144 0.000) 18.801 9.633 ( 1.794 -7.053 0.000) 7.277 10.465 ( 4.744 -5.636 0.000) 7.367 10.670 ( 1.445 -1.402 0.000) 2.013 11.722 ( -9.253 -9.068 0.000) 12.956 12.073 ( -0.166 5.077 0.000) 5.080 12.620 ( -8.829 5.718 0.000) 10.519 12.919 ( -7.137 2.052 0.000) 7.426 14.397 ( 9.638 -4.790 0.000) 10.763 14.523 ( 3.103 1.664 0.000) 3.521 15.061 ( 9.607 -1.035 0.000) 9.662 15.789 ( -8.425 -2.731 0.000) 8.857 16.089 ( 18.084 1.660 0.000) 18.160 18.567 ( -19.584 -14.596 0.000) 24.425 19.101 ( 7.502 1.135 0.000) 7.587 20.195 ( -10.346 -12.941 0.000) 16.568 20.529 ( 4.103 5.573 0.000) 6.920 22.223 ( 2.412 20.341 0.000) 20.483 22.764 ( -4.440 4.437 0.000) 6.277 25.501 ( -0.299 -3.301 0.000) 3.314 ======================= Grid point 15 (11/180) ======================= q-point: ( 0.40 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 9.038 3.935 0.000) 9.857 2.306 ( 12.286 1.272 0.000) 12.352 2.966 ( -0.465 -1.300 0.000) 1.381 3.246 ( 1.833 8.805 0.000) 8.994 3.801 ( -23.551 -1.941 0.000) 23.631 4.388 ( 0.117 -18.188 0.000) 18.188 5.267 ( 18.721 17.717 0.000) 25.775 5.350 ( 17.028 1.482 0.000) 17.092 5.637 ( 1.879 4.405 0.000) 4.789 6.477 ( 1.639 13.056 0.000) 13.159 6.910 ( 1.783 1.655 0.000) 2.433 7.348 ( -0.791 -7.087 0.000) 7.131 7.633 ( -10.334 -6.600 0.000) 12.262 7.967 ( -8.300 8.073 0.000) 11.578 8.240 ( 8.059 -6.486 0.000) 10.345 8.585 ( 8.533 9.976 0.000) 13.128 9.171 ( -19.325 0.606 0.000) 19.334 9.649 ( -0.355 -7.168 0.000) 7.177 10.498 ( -0.182 -1.581 0.000) 1.592 10.739 ( 3.974 -3.292 0.000) 5.160 11.558 ( -6.356 -13.125 0.000) 14.583 12.073 ( 0.197 8.420 0.000) 8.422 12.497 ( -3.610 8.790 0.000) 9.503 12.793 ( -4.743 2.455 0.000) 5.341 14.485 ( -0.781 0.493 0.000) 0.924 14.570 ( 3.154 -6.852 0.000) 7.543 15.185 ( 3.128 -1.459 0.000) 3.451 15.602 ( -6.394 6.242 0.000) 8.935 16.691 ( 35.040 -8.681 0.000) 36.099 18.071 ( -28.655 -15.036 0.000) 32.360 19.309 ( 12.340 -0.554 0.000) 12.353 19.899 ( -15.855 -4.033 0.000) 16.360 20.647 ( 4.773 -1.444 0.000) 4.987 22.251 ( 0.669 24.241 0.000) 24.250 22.714 ( -1.109 -3.934 0.000) 4.087 25.496 ( -0.132 -3.853 0.000) 3.855 ======================= Grid point 16 (12/180) ======================= q-point: (-0.50 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 0.000 -2.977 0.000) 2.977 2.440 ( 0.000 10.323 0.000) 10.323 3.033 ( 0.000 -7.257 0.000) 7.257 3.371 ( -0.000 7.935 0.000) 7.935 3.397 ( 0.000 0.095 0.000) 0.095 4.380 ( 0.000 -18.665 0.000) 18.665 5.484 ( 0.000 21.103 0.000) 21.103 5.511 ( 0.000 4.116 0.000) 4.116 5.681 ( 0.000 -2.246 0.000) 2.246 6.500 ( 0.000 13.388 0.000) 13.388 6.948 ( 0.000 3.332 0.000) 3.332 7.263 ( 0.000 -13.960 0.000) 13.960 7.567 ( 0.000 -3.961 0.000) 3.961 7.869 ( 0.000 11.748 0.000) 11.748 8.334 ( 0.000 -6.913 0.000) 6.913 8.778 ( -0.000 6.318 0.000) 6.318 8.858 ( 0.000 4.221 0.000) 4.221 9.641 ( 0.000 -6.750 0.000) 6.750 10.493 ( 0.000 -2.506 0.000) 2.506 10.785 ( 0.000 -1.055 0.000) 1.055 11.490 ( 0.000 -15.337 0.000) 15.337 12.076 ( 0.000 9.704 0.000) 9.704 12.462 ( 0.000 9.853 0.000) 9.853 12.743 ( 0.000 2.115 0.000) 2.115 14.466 ( 0.000 -0.324 0.000) 0.324 14.605 ( 0.000 -7.881 0.000) 7.881 15.213 ( 0.000 -3.929 0.000) 3.929 15.541 ( 0.000 12.185 0.000) 12.185 17.326 ( 0.000 -8.370 0.000) 8.370 17.507 ( -0.000 -18.561 0.000) 18.561 19.570 ( -0.000 1.046 0.000) 1.046 19.602 ( 0.000 -5.243 0.000) 5.243 20.696 ( 0.000 -1.766 0.000) 1.766 22.257 ( 0.000 25.097 0.000) 25.097 22.705 ( 0.000 -6.038 0.000) 6.038 25.495 ( 0.000 -4.074 0.000) 4.074 ======================= Grid point 22 (13/180) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 0.000 30.154 0.000) 30.154 1.336 ( 0.000 31.834 0.000) 31.834 2.437 ( 0.000 58.369 0.000) 58.369 3.462 ( 0.000 1.896 0.000) 1.896 3.764 ( 0.000 -1.429 0.000) 1.429 4.535 ( 0.000 10.213 0.000) 10.213 5.162 ( 0.000 -8.473 0.000) 8.473 5.241 ( 0.000 2.929 0.000) 2.929 5.528 ( 0.000 2.115 0.000) 2.115 6.528 ( 0.000 -1.038 0.000) 1.038 6.850 ( 0.000 -7.152 0.000) 7.152 6.931 ( 0.000 -3.484 0.000) 3.484 7.828 ( 0.000 2.948 0.000) 2.948 7.995 ( 0.000 10.001 0.000) 10.001 8.972 ( 0.000 -25.840 0.000) 25.840 8.988 ( 0.000 6.230 0.000) 6.230 9.071 ( 0.000 -10.479 0.000) 10.479 9.595 ( 0.000 -6.440 0.000) 6.440 9.815 ( 0.000 -2.653 0.000) 2.653 10.394 ( 0.000 -6.707 0.000) 6.707 11.870 ( 0.000 -11.023 0.000) 11.023 12.015 ( 0.000 -9.239 0.000) 9.239 12.837 ( 0.000 12.910 0.000) 12.910 13.379 ( 0.000 -4.874 0.000) 4.874 13.735 ( 0.000 19.646 0.000) 19.646 14.169 ( 0.000 7.797 0.000) 7.797 14.925 ( 0.000 5.640 0.000) 5.640 16.093 ( 0.000 -19.048 0.000) 19.048 17.014 ( 0.000 7.083 0.000) 7.083 18.366 ( 0.000 -10.937 0.000) 10.937 19.054 ( 0.000 -3.403 0.000) 3.403 19.192 ( 0.000 -8.472 0.000) 8.472 21.540 ( 0.000 3.241 0.000) 3.241 21.741 ( 0.000 -1.067 0.000) 1.067 24.393 ( 0.000 6.653 0.000) 6.653 25.447 ( 0.000 -4.491 0.000) 4.491 ======================= Grid point 23 (14/180) ======================= q-point: ( 0.10 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 11.767 27.166 0.000) 29.605 1.461 ( 9.449 29.732 0.000) 31.197 2.704 ( 24.087 48.464 0.000) 54.120 3.665 ( 12.142 -1.029 0.000) 12.185 3.790 ( 6.537 -3.462 0.000) 7.397 4.340 ( -16.093 8.301 0.000) 18.108 5.041 ( -11.276 1.925 0.000) 11.439 5.260 ( 0.430 -4.171 0.000) 4.193 5.510 ( -1.628 2.851 0.000) 3.283 6.527 ( 3.370 -2.162 0.000) 4.004 6.822 ( -1.751 -0.968 0.000) 2.001 7.157 ( 16.522 -7.644 0.000) 18.205 7.633 ( -13.929 13.663 0.000) 19.511 8.035 ( 3.597 9.419 0.000) 10.083 8.721 ( -15.708 -17.076 0.000) 23.202 8.880 ( -8.775 1.317 0.000) 8.873 9.199 ( 7.271 -11.812 0.000) 13.871 9.696 ( 7.697 -11.113 0.000) 13.518 9.987 ( 6.287 -7.268 0.000) 9.610 10.509 ( 11.218 -5.455 0.000) 12.474 11.880 ( -0.263 -9.641 0.000) 9.644 11.989 ( -1.281 -8.379 0.000) 8.476 12.758 ( -4.528 2.407 0.000) 5.128 13.405 ( -3.017 7.096 0.000) 7.711 13.780 ( 8.002 9.205 0.000) 12.197 14.261 ( 8.365 8.917 0.000) 12.226 14.890 ( -3.102 3.581 0.000) 4.738 16.070 ( -1.952 -14.740 0.000) 14.869 16.610 ( -29.330 13.139 0.000) 32.139 18.529 ( 8.069 -10.964 0.000) 13.613 19.055 ( -4.049 -12.369 0.000) 13.015 19.330 ( 16.169 -8.663 0.000) 18.344 21.282 ( -16.320 7.702 0.000) 18.046 21.963 ( 12.992 -2.611 0.000) 13.252 24.044 ( -28.020 20.440 0.000) 34.683 25.444 ( -0.433 -4.763 0.000) 4.783 ======================= Grid point 24 (15/180) ======================= q-point: ( 0.20 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 16.376 15.904 0.000) 22.828 1.725 ( 17.776 24.770 0.000) 30.489 3.229 ( 21.951 32.674 0.000) 39.363 3.613 ( -13.970 -3.639 0.000) 14.436 4.073 ( -3.788 5.076 0.000) 6.333 4.136 ( 16.900 -6.871 0.000) 18.243 4.780 ( -12.343 2.807 0.000) 12.658 5.207 ( -2.155 1.959 0.000) 2.912 5.545 ( 5.217 4.580 0.000) 6.942 6.638 ( 4.161 1.734 0.000) 4.508 6.811 ( 2.449 -2.579 0.000) 3.557 7.380 ( -3.827 15.054 0.000) 15.533 7.522 ( 11.817 -5.984 0.000) 13.246 8.108 ( 2.194 6.660 0.000) 7.012 8.379 ( -16.758 -12.253 0.000) 20.760 8.737 ( -4.526 7.971 0.000) 9.166 9.331 ( 5.324 -14.245 0.000) 15.207 9.742 ( -6.480 -9.567 0.000) 11.555 10.092 ( 9.049 -9.303 0.000) 12.978 10.672 ( 2.407 -2.064 0.000) 3.170 11.778 ( -9.383 -7.062 0.000) 11.744 12.031 ( 4.340 -5.429 0.000) 6.950 12.709 ( -1.164 -5.774 0.000) 5.890 13.255 ( -9.320 14.255 0.000) 17.032 14.034 ( 14.822 -1.669 0.000) 14.916 14.476 ( 11.360 8.127 0.000) 13.968 14.832 ( -1.217 -3.301 0.000) 3.518 15.973 ( -12.984 -13.268 0.000) 18.564 16.153 ( -7.522 19.426 0.000) 20.832 18.552 ( -7.489 -13.201 0.000) 15.177 18.971 ( -0.900 -9.839 0.000) 9.880 19.678 ( 14.615 -18.136 0.000) 23.292 20.970 ( -13.629 13.815 0.000) 19.406 22.198 ( 10.091 -3.512 0.000) 10.685 23.497 ( -23.326 29.805 0.000) 37.848 25.429 ( -0.960 -5.229 0.000) 5.316 ======================= Grid point 25 (16/180) ======================= q-point: ( 0.30 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 14.211 3.064 0.000) 14.537 2.119 ( 19.299 20.520 0.000) 28.169 3.206 ( -18.673 0.837 0.000) 18.692 3.480 ( 1.137 16.902 0.000) 16.941 4.051 ( -6.957 -8.559 0.000) 11.030 4.226 ( -6.788 -2.532 0.000) 7.245 4.840 ( 21.261 1.986 0.000) 21.353 5.300 ( 10.928 8.997 0.000) 14.155 5.680 ( 7.400 8.037 0.000) 10.925 6.662 ( 0.435 5.735 0.000) 5.752 6.907 ( 4.546 -1.758 0.000) 4.874 7.320 ( -1.409 9.865 0.000) 9.965 7.688 ( -1.328 -8.855 0.000) 8.954 8.050 ( -3.122 -1.304 0.000) 3.383 8.182 ( -3.115 1.706 0.000) 3.551 8.712 ( 2.005 12.310 0.000) 12.472 9.405 ( 1.970 -15.579 0.000) 15.703 9.501 ( -15.007 -4.278 0.000) 15.605 10.321 ( 11.435 -8.578 0.000) 14.295 10.649 ( -2.554 -0.576 0.000) 2.618 11.542 ( -12.997 -9.003 0.000) 15.811 12.120 ( 4.123 -0.608 0.000) 4.167 12.682 ( -1.261 0.581 0.000) 1.388 13.071 ( -8.653 13.066 0.000) 15.672 14.300 ( 9.919 -5.140 0.000) 11.171 14.567 ( -3.411 0.730 0.000) 3.488 14.950 ( 11.680 -7.790 0.000) 14.040 15.730 ( -5.606 -2.570 0.000) 6.167 16.203 ( 8.923 9.324 0.000) 12.906 18.236 ( -21.872 -18.490 0.000) 28.640 19.050 ( 7.363 -6.438 0.000) 9.780 19.843 ( 0.852 -18.566 0.000) 18.585 20.770 ( -5.358 14.822 0.000) 15.761 22.371 ( 7.083 -4.614 0.000) 8.453 23.127 ( -13.716 29.866 0.000) 32.865 25.409 ( -0.986 -5.890 0.000) 5.972 ======================= Grid point 26 (17/180) ======================= q-point: ( 0.40 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 2.721 -2.768 0.000) 3.881 2.484 ( 16.729 15.170 0.000) 22.583 2.954 ( -5.178 0.222 0.000) 5.183 3.416 ( -4.953 6.963 0.000) 8.545 3.730 ( -18.382 -5.972 0.000) 19.328 4.163 ( -1.337 -2.069 0.000) 2.463 5.311 ( 20.323 -3.556 0.000) 20.632 5.541 ( 9.565 6.953 0.000) 11.825 5.828 ( 6.951 15.021 0.000) 16.551 6.701 ( 3.609 7.002 0.000) 7.877 6.963 ( 1.610 2.216 0.000) 2.739 7.242 ( -8.764 -1.661 0.000) 8.920 7.553 ( -4.782 0.304 0.000) 4.792 8.093 ( 1.015 -1.920 0.000) 2.172 8.140 ( 1.055 3.021 0.000) 3.200 8.795 ( 5.575 11.132 0.000) 12.450 9.189 ( -14.470 1.371 0.000) 14.535 9.425 ( 0.107 -15.778 0.000) 15.778 10.467 ( 1.689 -2.316 0.000) 2.866 10.664 ( 5.285 -3.184 0.000) 6.170 11.292 ( -10.638 -13.500 0.000) 17.187 12.189 ( 2.545 2.885 0.000) 3.847 12.676 ( 0.882 7.860 0.000) 7.909 12.912 ( -6.865 10.471 0.000) 12.521 14.418 ( 1.902 -7.086 0.000) 7.337 14.459 ( -4.682 -6.435 0.000) 7.958 15.125 ( 4.720 -1.995 0.000) 5.125 15.738 ( 3.252 5.011 0.000) 5.973 16.532 ( 23.830 -5.228 0.000) 24.396 17.717 ( -28.732 -19.556 0.000) 34.756 19.235 ( 10.442 -7.493 0.000) 12.853 19.736 ( -9.625 -10.920 0.000) 14.557 20.737 ( 0.682 9.279 0.000) 9.304 22.486 ( 4.229 -7.832 0.000) 8.901 22.923 ( -6.786 30.981 0.000) 31.715 25.392 ( -0.602 -6.509 0.000) 6.537 ======================= Grid point 27 (18/180) ======================= q-point: (-0.50 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 0.000 -3.109 0.000) 3.109 2.717 ( 0.000 17.739 0.000) 17.739 2.897 ( 0.000 -6.719 0.000) 6.719 3.397 ( -0.000 -0.129 0.000) 0.129 3.464 ( 0.000 -0.504 0.000) 0.504 4.150 ( 0.000 -1.414 0.000) 1.414 5.558 ( 0.000 -7.584 0.000) 7.584 5.608 ( -0.000 4.966 0.000) 4.966 5.917 ( 0.000 19.144 0.000) 19.144 6.765 ( 0.000 10.273 0.000) 10.273 7.025 ( 0.000 -9.199 0.000) 9.199 7.048 ( 0.000 6.703 0.000) 6.703 7.523 ( 0.000 1.753 0.000) 1.753 8.079 ( 0.000 8.535 0.000) 8.535 8.177 ( 0.000 -7.591 0.000) 7.591 8.917 ( 0.000 7.453 0.000) 7.453 8.968 ( 0.000 6.876 0.000) 6.876 9.424 ( 0.000 -15.523 0.000) 15.523 10.469 ( 0.000 0.051 0.000) 0.051 10.748 ( 0.000 -2.130 0.000) 2.130 11.168 ( 0.000 -17.292 0.000) 17.292 12.216 ( 0.000 3.923 0.000) 3.923 12.700 ( 0.000 13.329 0.000) 13.329 12.825 ( 0.000 6.628 0.000) 6.628 14.390 ( 0.000 -8.841 0.000) 8.841 14.448 ( 0.000 -7.663 0.000) 7.663 15.168 ( 0.000 0.898 0.000) 0.898 15.776 ( 0.000 9.575 0.000) 9.575 17.086 ( 0.000 -21.500 0.000) 21.500 17.125 ( -0.000 -11.231 0.000) 11.231 19.410 ( 0.000 -13.258 0.000) 13.258 19.563 ( 0.000 -2.470 0.000) 2.470 20.750 ( 0.000 6.759 0.000) 6.759 22.532 ( 0.000 -11.406 0.000) 11.406 22.852 ( 0.000 33.755 0.000) 33.755 25.386 ( 0.000 -6.764 0.000) 6.764 ======================= Grid point 33 (19/180) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 0.000 28.093 0.000) 28.093 1.921 ( 0.000 27.805 0.000) 27.805 3.469 ( 0.000 39.281 0.000) 39.281 3.481 ( 0.000 -0.440 0.000) 0.440 3.746 ( 0.000 6.162 0.000) 6.162 4.768 ( 0.000 13.361 0.000) 13.361 4.995 ( 0.000 -8.000 0.000) 8.000 5.315 ( 0.000 4.836 0.000) 4.836 5.573 ( 0.000 2.425 0.000) 2.425 6.496 ( 0.000 -2.769 0.000) 2.769 6.728 ( 0.000 -4.797 0.000) 4.797 6.873 ( 0.000 -1.916 0.000) 1.916 7.871 ( 0.000 1.134 0.000) 1.134 8.139 ( 0.000 3.299 0.000) 3.299 8.462 ( 0.000 -25.402 0.000) 25.402 8.741 ( 0.000 -19.991 0.000) 19.991 9.123 ( 0.000 5.419 0.000) 5.419 9.607 ( 0.000 8.000 0.000) 8.000 9.752 ( 0.000 -3.578 0.000) 3.578 10.256 ( 0.000 -6.564 0.000) 6.564 11.625 ( 0.000 -13.364 0.000) 13.364 11.803 ( 0.000 -12.234 0.000) 12.234 13.103 ( 0.000 13.714 0.000) 13.714 13.344 ( 0.000 1.287 0.000) 1.287 14.133 ( 0.000 20.248 0.000) 20.248 14.279 ( 0.000 3.527 0.000) 3.527 15.025 ( 0.000 3.957 0.000) 3.957 15.650 ( 0.000 -25.305 0.000) 25.305 17.203 ( 0.000 11.996 0.000) 11.996 18.189 ( 0.000 -6.744 0.000) 6.744 18.921 ( 0.000 -9.843 0.000) 9.843 19.000 ( 0.000 -10.880 0.000) 10.880 21.603 ( 0.000 3.106 0.000) 3.106 21.727 ( 0.000 -0.423 0.000) 0.423 24.540 ( 0.000 8.155 0.000) 8.155 25.341 ( 0.000 -6.263 0.000) 6.263 ======================= Grid point 34 (20/180) ======================= q-point: ( 0.10 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 6.907 27.149 0.000) 28.014 2.024 ( 7.662 27.122 0.000) 28.183 3.532 ( 8.129 19.323 0.000) 20.963 3.677 ( 13.818 0.621 0.000) 13.832 3.751 ( 1.019 15.359 0.000) 15.393 4.508 ( -18.044 8.228 0.000) 19.831 5.058 ( -3.601 0.378 0.000) 3.621 5.222 ( -4.216 0.487 0.000) 4.244 5.589 ( 1.820 5.590 0.000) 5.879 6.479 ( 3.296 -2.527 0.000) 4.153 6.822 ( -0.455 1.164 0.000) 1.250 7.001 ( 16.122 -7.813 0.000) 17.916 7.802 ( -6.042 4.216 0.000) 7.367 8.182 ( 3.126 3.952 0.000) 5.039 8.341 ( -9.186 -19.172 0.000) 21.259 8.790 ( 3.252 -18.480 0.000) 18.764 9.055 ( -3.768 4.530 0.000) 5.892 9.597 ( 1.935 1.153 0.000) 2.253 9.864 ( 3.750 -5.416 0.000) 6.588 10.401 ( 12.778 -5.155 0.000) 13.778 11.657 ( 2.505 -12.458 0.000) 12.707 11.799 ( 0.382 -10.724 0.000) 10.731 12.863 ( -14.214 7.522 0.000) 16.082 13.523 ( 7.925 5.982 0.000) 9.929 14.005 ( -6.376 10.296 0.000) 12.110 14.440 ( 10.931 10.507 0.000) 15.162 14.922 ( -8.858 -1.241 0.000) 8.944 15.704 ( 3.892 -19.340 0.000) 19.727 16.908 ( -22.499 16.214 0.000) 27.732 18.324 ( 7.183 -9.367 0.000) 11.805 18.799 ( -7.397 -13.322 0.000) 15.237 19.145 ( 10.277 -10.808 0.000) 14.914 21.428 ( -10.567 7.150 0.000) 12.759 21.899 ( 10.118 -3.668 0.000) 10.763 24.370 ( -15.051 14.177 0.000) 20.676 25.333 ( -0.826 -6.490 0.000) 6.542 ======================= Grid point 35 (21/180) ======================= q-point: ( 0.20 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 5.409 20.902 0.000) 21.590 2.235 ( 14.346 25.947 0.000) 29.649 3.528 ( -11.078 -5.142 0.000) 12.213 3.829 ( 2.635 24.154 0.000) 24.298 4.013 ( 17.540 -2.693 0.000) 17.745 4.180 ( -11.742 5.603 0.000) 13.010 4.844 ( -10.900 3.879 0.000) 11.570 5.228 ( 4.177 0.062 0.000) 4.178 5.690 ( 8.266 10.340 0.000) 13.238 6.626 ( 9.369 -2.092 0.000) 9.599 6.788 ( -1.817 0.772 0.000) 1.974 7.340 ( 15.325 -7.618 0.000) 17.114 7.656 ( -7.863 7.027 0.000) 10.546 8.151 ( -8.070 -10.075 0.000) 12.908 8.240 ( 1.451 6.214 0.000) 6.381 8.855 ( 3.604 -6.573 0.000) 7.496 9.027 ( 0.445 -5.486 0.000) 5.504 9.603 ( -4.079 -3.315 0.000) 5.256 9.940 ( 7.020 -6.643 0.000) 9.665 10.606 ( 4.995 -4.783 0.000) 6.916 11.634 ( -6.674 -7.163 0.000) 9.790 11.883 ( 7.959 -8.860 0.000) 11.909 12.667 ( -3.721 1.498 0.000) 4.011 13.533 ( -6.295 13.302 0.000) 14.716 13.988 ( 4.774 -4.941 0.000) 6.870 14.656 ( 3.105 6.507 0.000) 7.210 14.734 ( -2.152 -2.424 0.000) 3.242 15.744 ( -0.996 -9.520 0.000) 9.572 16.515 ( -12.975 17.853 0.000) 22.070 18.268 ( -13.987 -15.752 0.000) 21.066 18.750 ( 3.906 -10.972 0.000) 11.646 19.363 ( 10.007 -14.972 0.000) 18.008 21.222 ( -9.644 11.794 0.000) 15.235 22.081 ( 7.622 -7.463 0.000) 10.668 24.025 ( -17.084 23.866 0.000) 29.350 25.309 ( -1.473 -6.923 0.000) 7.078 ======================= Grid point 36 (22/180) ======================= q-point: ( 0.30 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 2.674 10.122 0.000) 10.469 2.552 ( 14.956 22.016 0.000) 26.616 3.205 ( -16.853 -0.990 0.000) 16.882 3.743 ( -10.087 8.690 0.000) 13.314 3.914 ( -14.276 -5.551 0.000) 15.317 4.278 ( 3.961 9.097 0.000) 9.922 4.852 ( 13.419 -1.205 0.000) 13.473 5.401 ( 11.413 1.318 0.000) 11.489 5.901 ( 11.914 13.862 0.000) 18.278 6.746 ( 0.701 4.427 0.000) 4.482 6.828 ( 7.121 -5.018 0.000) 8.712 7.465 ( -8.447 0.322 0.000) 8.454 7.594 ( 6.373 0.564 0.000) 6.398 8.022 ( -3.856 -0.286 0.000) 3.866 8.265 ( 1.001 6.077 0.000) 6.159 8.937 ( 4.086 4.036 0.000) 5.744 9.041 ( 0.567 -14.534 0.000) 14.545 9.442 ( -10.308 -0.780 0.000) 10.337 10.146 ( 11.696 -9.167 0.000) 14.860 10.626 ( -1.059 -3.090 0.000) 3.266 11.400 ( -15.220 -4.258 0.000) 15.805 12.054 ( 7.941 -5.601 0.000) 9.717 12.694 ( 4.572 1.434 0.000) 4.791 13.358 ( -9.619 15.054 0.000) 17.864 14.125 ( 6.629 -15.206 0.000) 16.588 14.463 ( -10.763 -8.910 0.000) 13.973 14.946 ( 12.217 7.877 0.000) 14.536 15.695 ( -1.357 -1.267 0.000) 1.856 16.416 ( 1.626 11.767 0.000) 11.879 17.864 ( -23.915 -19.079 0.000) 30.593 18.881 ( 7.864 -9.292 0.000) 12.173 19.508 ( 3.761 -15.991 0.000) 16.428 21.049 ( -7.053 13.359 0.000) 15.106 22.201 ( 4.210 -10.989 0.000) 11.767 23.732 ( -11.336 29.820 0.000) 31.901 25.278 ( -1.546 -7.392 0.000) 7.552 ======================= Grid point 37 (23/180) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -0.452 0.820 0.000) 0.936 2.747 ( 2.410 6.142 0.000) 6.598 3.023 ( 2.076 9.739 0.000) 9.957 3.504 ( -11.392 3.878 0.000) 12.034 3.598 ( -15.067 -5.979 0.000) 16.210 4.312 ( 0.962 14.809 0.000) 14.840 5.182 ( 14.862 -9.747 0.000) 17.773 5.604 ( 7.155 0.076 0.000) 7.156 6.134 ( 9.861 14.834 0.000) 17.813 6.782 ( 3.315 2.965 0.000) 4.448 6.939 ( 2.906 -2.465 0.000) 3.811 7.271 ( -9.004 3.005 0.000) 9.492 7.669 ( 1.816 8.299 0.000) 8.495 7.986 ( -0.963 -4.409 0.000) 4.513 8.280 ( 0.425 7.714 0.000) 7.725 9.010 ( 3.136 6.816 0.000) 7.503 9.048 ( 0.190 -18.227 0.000) 18.228 9.240 ( -8.587 4.506 0.000) 9.698 10.353 ( 7.304 -9.530 0.000) 12.007 10.639 ( 3.861 -2.212 0.000) 4.450 11.077 ( -15.531 -5.489 0.000) 16.472 12.181 ( 4.243 -3.531 0.000) 5.520 12.810 ( 6.853 6.632 0.000) 9.537 13.165 ( -9.404 13.943 0.000) 16.818 14.168 ( -2.704 -18.775 0.000) 18.969 14.320 ( -2.524 -6.739 0.000) 7.196 15.165 ( 8.379 5.611 0.000) 10.084 15.749 ( 6.023 -2.955 0.000) 6.709 16.531 ( 9.738 4.237 0.000) 10.620 17.349 ( -25.975 -17.205 0.000) 31.156 19.046 ( 7.843 -10.258 0.000) 12.912 19.511 ( -2.847 -12.127 0.000) 12.456 20.948 ( -2.978 11.447 0.000) 11.828 22.257 ( 1.511 -13.811 0.000) 13.893 23.569 ( -5.009 32.533 0.000) 32.916 25.251 ( -0.976 -7.759 0.000) 7.820 ======================= Grid point 38 (24/180) ======================= q-point: (-0.50 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 0.000 -0.991 0.000) 0.991 2.758 ( 0.000 -7.937 0.000) 7.937 3.111 ( 0.000 21.161 0.000) 21.161 3.378 ( -0.000 -5.348 0.000) 5.348 3.396 ( 0.000 0.885 0.000) 0.885 4.323 ( 0.000 16.145 0.000) 16.145 5.349 ( 0.000 -13.752 0.000) 13.752 5.672 ( 0.000 0.831 0.000) 0.831 6.243 ( 0.000 13.968 0.000) 13.968 6.847 ( 0.000 -0.746 0.000) 0.746 6.941 ( 0.000 1.363 0.000) 1.363 7.171 ( 0.000 5.478 0.000) 5.478 7.691 ( 0.000 13.909 0.000) 13.909 7.969 ( 0.000 -10.247 0.000) 10.247 8.284 ( 0.000 8.994 0.000) 8.994 9.045 ( 0.000 -21.578 0.000) 21.578 9.063 ( 0.000 7.479 0.000) 7.479 9.132 ( 0.000 9.094 0.000) 9.094 10.421 ( 0.000 -7.287 0.000) 7.287 10.784 ( -0.000 8.090 0.000) 8.090 10.817 ( 0.000 -18.463 0.000) 18.463 12.223 ( 0.000 -3.176 0.000) 3.176 12.948 ( -0.000 11.409 0.000) 11.409 13.002 ( 0.000 11.161 0.000) 11.161 14.124 ( 0.000 -16.943 0.000) 16.943 14.302 ( 0.000 -7.737 0.000) 7.737 15.252 ( 0.000 6.564 0.000) 6.564 15.835 ( 0.000 -4.379 0.000) 4.379 16.780 ( 0.000 -7.893 0.000) 7.893 16.920 ( -0.000 -9.053 0.000) 9.053 19.146 ( 0.000 -12.403 0.000) 12.403 19.458 ( 0.000 -8.162 0.000) 8.162 20.920 ( 0.000 9.949 0.000) 9.949 22.271 ( 0.000 -14.924 0.000) 14.924 23.520 ( 0.000 33.305 0.000) 33.305 25.241 ( 0.000 -7.897 0.000) 7.897 ======================= Grid point 44 (25/180) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 0.000 24.106 0.000) 24.106 2.414 ( 0.000 22.242 0.000) 22.242 3.427 ( 0.000 -5.262 0.000) 5.262 3.538 ( 0.000 -8.153 0.000) 8.153 4.373 ( 0.000 31.585 0.000) 31.585 4.869 ( 0.000 -4.562 0.000) 4.562 5.050 ( 0.000 15.230 0.000) 15.230 5.458 ( 0.000 11.259 0.000) 11.259 5.606 ( 0.000 0.170 0.000) 0.170 6.397 ( 0.000 -7.760 0.000) 7.760 6.685 ( 0.000 0.882 0.000) 0.882 6.865 ( 0.000 0.742 0.000) 0.742 7.864 ( 0.000 -2.925 0.000) 2.925 8.025 ( 0.000 -16.562 0.000) 16.562 8.090 ( 0.000 -8.516 0.000) 8.516 8.339 ( 0.000 -18.850 0.000) 18.850 9.256 ( 0.000 8.410 0.000) 8.410 9.674 ( 0.000 -4.545 0.000) 4.545 9.834 ( 0.000 12.996 0.000) 12.996 10.163 ( 0.000 -2.713 0.000) 2.713 11.377 ( 0.000 -11.049 0.000) 11.049 11.549 ( 0.000 -13.157 0.000) 13.157 13.354 ( 0.000 11.441 0.000) 11.441 13.423 ( 0.000 6.237 0.000) 6.237 14.320 ( 0.000 1.346 0.000) 1.346 14.501 ( 0.000 16.642 0.000) 16.642 15.062 ( 0.000 -0.443 0.000) 0.443 15.141 ( 0.000 -25.457 0.000) 25.457 17.473 ( 0.000 15.190 0.000) 15.190 18.103 ( 0.000 -2.613 0.000) 2.613 18.694 ( 0.000 -12.257 0.000) 12.257 18.780 ( 0.000 -11.275 0.000) 11.275 21.657 ( 0.000 2.361 0.000) 2.361 21.722 ( 0.000 -0.201 0.000) 0.201 24.706 ( 0.000 8.757 0.000) 8.757 25.205 ( 0.000 -7.575 0.000) 7.575 ======================= Grid point 45 (26/180) ======================= q-point: ( 0.10 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 4.755 24.083 0.000) 24.548 2.503 ( 7.270 21.446 0.000) 22.645 3.512 ( -0.105 -7.253 0.000) 7.253 3.564 ( 9.633 -7.771 0.000) 12.377 4.363 ( -1.136 26.084 0.000) 26.109 4.638 ( -16.734 4.997 0.000) 17.464 5.114 ( 0.132 6.159 0.000) 6.160 5.262 ( -11.770 3.517 0.000) 12.284 5.737 ( 8.492 9.828 0.000) 12.989 6.419 ( 4.443 -4.415 0.000) 6.263 6.852 ( 0.454 -0.333 0.000) 0.563 6.884 ( 14.065 -1.533 0.000) 14.149 7.816 ( -4.437 -3.149 0.000) 5.441 8.003 ( -0.786 -11.199 0.000) 11.227 8.176 ( 6.663 -7.126 0.000) 9.756 8.374 ( 3.138 -19.761 0.000) 20.009 9.217 ( -2.754 10.154 0.000) 10.521 9.671 ( 0.328 1.130 0.000) 1.176 9.806 ( -2.059 3.257 0.000) 3.853 10.310 ( 10.717 -4.607 0.000) 11.665 11.429 ( 5.030 -9.763 0.000) 10.983 11.582 ( 3.419 -11.041 0.000) 11.558 13.046 ( -17.083 11.268 0.000) 20.464 13.617 ( 6.675 1.872 0.000) 6.933 14.137 ( -11.991 4.710 0.000) 12.883 14.680 ( 10.370 11.017 0.000) 15.130 14.810 ( -11.970 -8.240 0.000) 14.532 15.387 ( 12.459 -12.332 0.000) 17.530 17.239 ( -18.610 17.601 0.000) 25.615 18.155 ( -0.646 -9.101 0.000) 9.124 18.570 ( -4.927 -8.499 0.000) 9.824 18.910 ( 8.009 -12.731 0.000) 15.040 21.557 ( -6.003 5.961 0.000) 8.460 21.825 ( 5.939 -3.848 0.000) 7.076 24.623 ( -7.672 11.859 0.000) 14.124 25.193 ( -1.177 -7.798 0.000) 7.886 ======================= Grid point 46 (27/180) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -1.217 20.405 0.000) 20.441 2.699 ( 11.807 20.362 0.000) 23.538 3.413 ( -8.999 -6.152 0.000) 10.901 3.807 ( 8.465 -9.974 0.000) 13.082 4.281 ( -17.669 8.425 0.000) 19.575 4.345 ( 1.523 14.685 0.000) 14.764 4.930 ( -11.480 5.100 0.000) 12.561 5.219 ( 4.300 -0.797 0.000) 4.373 5.939 ( 11.477 14.546 0.000) 18.528 6.568 ( 8.906 -4.008 0.000) 9.766 6.841 ( -0.002 4.413 0.000) 4.413 7.206 ( 15.248 -5.925 0.000) 16.358 7.696 ( -6.900 -1.276 0.000) 7.017 8.016 ( 1.831 -3.084 0.000) 3.586 8.302 ( 4.814 -1.533 0.000) 5.052 8.453 ( 4.524 -22.791 0.000) 23.236 9.184 ( -0.263 11.569 0.000) 11.572 9.644 ( -4.424 7.098 0.000) 8.364 9.815 ( 4.449 -6.030 0.000) 7.493 10.467 ( 3.659 -9.899 0.000) 10.554 11.522 ( 1.184 -3.636 0.000) 3.824 11.711 ( 9.831 -8.194 0.000) 12.798 12.767 ( -8.278 8.857 0.000) 12.123 13.674 ( 0.027 -7.084 0.000) 7.084 13.898 ( -11.125 4.408 0.000) 11.967 14.526 ( -12.337 -9.863 0.000) 15.795 14.951 ( 12.067 14.339 0.000) 18.741 15.588 ( 6.906 -7.227 0.000) 9.996 16.865 ( -16.003 18.081 0.000) 24.146 17.939 ( -18.557 -17.634 0.000) 25.599 18.599 ( 5.926 -3.645 0.000) 6.957 19.072 ( 7.630 -14.752 0.000) 16.608 21.431 ( -6.592 9.663 0.000) 11.697 21.926 ( 3.758 -8.161 0.000) 8.985 24.435 ( -9.854 18.247 0.000) 20.737 25.161 ( -1.917 -8.300 0.000) 8.518 ======================= Grid point 47 (28/180) ======================= q-point: ( 0.30 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -7.057 13.877 0.000) 15.568 2.880 ( 0.963 7.113 0.000) 7.178 3.208 ( -6.113 4.768 0.000) 7.753 3.758 ( -11.055 -6.523 0.000) 12.836 3.939 ( -15.516 9.383 0.000) 18.133 4.506 ( 11.189 9.087 0.000) 14.414 4.808 ( 0.584 -0.438 0.000) 0.730 5.365 ( 9.120 -4.792 0.000) 10.303 6.183 ( 11.868 14.097 0.000) 18.427 6.721 ( 5.014 -5.263 0.000) 7.269 6.881 ( 4.691 8.975 0.000) 10.127 7.441 ( 4.491 -1.490 0.000) 4.732 7.579 ( -1.280 -1.838 0.000) 2.240 8.050 ( 0.734 2.453 0.000) 2.561 8.366 ( 2.118 2.449 0.000) 3.238 8.538 ( 3.259 -23.854 0.000) 24.076 9.197 ( 1.156 11.182 0.000) 11.241 9.522 ( -6.666 9.576 0.000) 11.668 9.957 ( 8.489 -10.243 0.000) 13.304 10.478 ( -1.346 -12.256 0.000) 12.330 11.417 ( -10.769 5.879 0.000) 12.269 11.922 ( 9.397 -7.480 0.000) 12.010 12.758 ( 6.280 5.634 0.000) 8.437 13.626 ( -7.269 7.259 0.000) 10.273 13.737 ( -1.606 -17.072 0.000) 17.147 14.302 ( -9.366 -8.229 0.000) 12.467 15.163 ( 8.544 12.657 0.000) 15.271 15.663 ( 1.209 -2.561 0.000) 2.832 16.652 ( -4.791 12.402 0.000) 13.295 17.504 ( -22.931 -17.457 0.000) 28.819 18.741 ( 7.559 -3.939 0.000) 8.524 19.202 ( 4.880 -15.278 0.000) 16.038 21.293 ( -6.787 11.683 0.000) 13.511 21.972 ( 0.877 -12.024 0.000) 12.056 24.258 ( -7.207 23.549 0.000) 24.627 25.121 ( -1.894 -8.754 0.000) 8.956 ======================= Grid point 48 (29/180) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -6.122 6.371 0.000) 8.836 2.707 ( -11.095 -7.077 0.000) 13.160 3.235 ( 3.590 7.638 0.000) 8.439 3.500 ( -12.256 -4.296 0.000) 12.987 3.701 ( -7.039 17.607 0.000) 18.962 4.656 ( 3.814 18.667 0.000) 19.053 4.930 ( 8.122 -15.604 0.000) 17.592 5.540 ( 7.123 -6.753 0.000) 9.816 6.387 ( 7.560 10.876 0.000) 13.245 6.777 ( 1.440 -3.686 0.000) 3.957 7.008 ( 6.455 10.394 0.000) 12.236 7.364 ( -6.217 7.031 0.000) 9.385 7.683 ( 6.389 -6.843 0.000) 9.362 8.023 ( -3.424 6.201 0.000) 7.083 8.406 ( 1.846 4.088 0.000) 4.486 8.579 ( 0.959 -23.217 0.000) 23.236 9.218 ( 0.778 10.277 0.000) 10.306 9.404 ( -4.410 12.247 0.000) 13.017 10.121 ( 6.772 -13.514 0.000) 15.116 10.453 ( -0.644 -15.395 0.000) 15.409 11.173 ( -11.061 13.202 0.000) 17.223 12.057 ( 3.770 -9.156 0.000) 9.902 12.948 ( 11.180 7.603 0.000) 13.521 13.429 ( -10.598 12.601 0.000) 16.465 13.766 ( 1.988 -20.228 0.000) 20.325 14.164 ( -4.237 -9.554 0.000) 10.451 15.305 ( 5.974 7.902 0.000) 9.906 15.675 ( 0.331 -4.075 0.000) 4.089 16.640 ( 2.660 5.979 0.000) 6.545 17.064 ( -19.346 -11.768 0.000) 22.644 18.887 ( 6.290 -5.012 0.000) 8.043 19.260 ( 0.856 -13.276 0.000) 13.303 21.175 ( -4.381 11.815 0.000) 12.601 21.971 ( -0.564 -14.950 0.000) 14.960 24.151 ( -3.350 26.357 0.000) 26.569 25.089 ( -1.141 -8.975 0.000) 9.048 ======================= Grid point 49 (30/180) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 0.000 3.454 0.000) 3.454 2.582 ( 0.000 -9.832 0.000) 9.832 3.310 ( 0.000 -1.732 0.000) 1.732 3.319 ( -0.000 0.207 0.000) 0.207 3.641 ( 0.000 23.700 0.000) 23.700 4.693 ( 0.000 20.394 0.000) 20.394 5.023 ( 0.000 -19.346 0.000) 19.346 5.618 ( 0.000 -6.695 0.000) 6.695 6.466 ( 0.000 9.012 0.000) 9.012 6.792 ( 0.000 -3.912 0.000) 3.912 7.091 ( 0.000 13.722 0.000) 13.722 7.282 ( 0.000 6.157 0.000) 6.157 7.767 ( 0.000 -10.107 0.000) 10.107 7.962 ( 0.000 11.128 0.000) 11.128 8.428 ( 0.000 4.905 0.000) 4.905 8.587 ( 0.000 -23.032 0.000) 23.032 9.226 ( 0.000 9.888 0.000) 9.888 9.358 ( 0.000 13.290 0.000) 13.290 10.195 ( 0.000 -14.526 0.000) 14.526 10.450 ( 0.000 -18.904 0.000) 18.904 11.048 ( 0.000 17.570 0.000) 17.570 12.090 ( 0.000 -10.499 0.000) 10.499 13.141 ( -0.000 8.473 0.000) 8.473 13.247 ( 0.000 13.410 0.000) 13.410 13.788 ( 0.000 -15.997 0.000) 15.997 14.122 ( 0.000 -11.111 0.000) 11.111 15.381 ( 0.000 5.857 0.000) 5.857 15.675 ( 0.000 -9.006 0.000) 9.006 16.736 ( 0.000 0.790 0.000) 0.790 16.788 ( -0.000 -4.209 0.000) 4.209 18.960 ( 0.000 -5.988 0.000) 5.988 19.260 ( 0.000 -11.399 0.000) 11.399 21.129 ( 0.000 11.427 0.000) 11.427 21.963 ( 0.000 -16.093 0.000) 16.093 24.118 ( 0.000 27.168 0.000) 27.168 25.077 ( 0.000 -9.024 0.000) 9.024 ======================= Grid point 55 (31/180) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 0.000 15.030 0.000) 15.030 2.756 ( 0.000 10.317 0.000) 10.317 3.301 ( 0.000 -5.228 0.000) 5.228 3.352 ( 0.000 -9.218 0.000) 9.218 4.744 ( 0.000 7.985 0.000) 7.985 4.814 ( 0.000 -1.715 0.000) 1.715 5.340 ( 0.000 13.464 0.000) 13.464 5.545 ( 0.000 -6.921 0.000) 6.921 5.794 ( 0.000 21.339 0.000) 21.339 6.174 ( 0.000 -15.636 0.000) 15.636 6.759 ( 0.000 5.933 0.000) 5.933 6.859 ( 0.000 -2.692 0.000) 2.692 7.728 ( 0.000 -3.240 0.000) 3.240 7.842 ( 0.000 -12.979 0.000) 12.979 7.943 ( 0.000 3.270 0.000) 3.270 8.070 ( 0.000 -9.447 0.000) 9.447 9.427 ( 0.000 8.339 0.000) 8.339 9.570 ( 0.000 -6.217 0.000) 6.217 10.050 ( 0.000 7.920 0.000) 7.920 10.133 ( 0.000 -1.481 0.000) 1.481 11.239 ( 0.000 -1.823 0.000) 1.823 11.319 ( 0.000 -9.191 0.000) 9.191 13.528 ( 0.000 5.510 0.000) 5.510 13.541 ( 0.000 4.072 0.000) 4.072 14.384 ( 0.000 7.066 0.000) 7.066 14.626 ( 0.000 -14.182 0.000) 14.182 14.844 ( 0.000 6.519 0.000) 6.519 14.999 ( 0.000 -6.054 0.000) 6.054 17.779 ( 0.000 15.380 0.000) 15.380 18.023 ( 0.000 -7.912 0.000) 7.912 18.517 ( 0.000 -3.243 0.000) 3.243 18.582 ( 0.000 -8.103 0.000) 8.103 21.695 ( 0.000 1.453 0.000) 1.453 21.715 ( 0.000 -0.639 0.000) 0.639 24.879 ( 0.000 8.801 0.000) 8.801 25.048 ( 0.000 -8.411 0.000) 8.411 ======================= Grid point 56 (32/180) ======================= q-point: ( 0.10 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 3.920 15.633 0.000) 16.117 2.829 ( 6.288 9.503 0.000) 11.395 3.353 ( 1.099 -6.318 0.000) 6.413 3.391 ( 7.442 -8.638 0.000) 11.402 4.653 ( -8.595 6.263 0.000) 10.635 4.705 ( -9.873 0.853 0.000) 9.910 5.263 ( -6.618 7.108 0.000) 9.712 5.329 ( -13.697 1.154 0.000) 13.746 5.986 ( 12.327 15.199 0.000) 19.569 6.267 ( 8.083 -11.693 0.000) 14.214 6.847 ( 6.659 2.111 0.000) 6.986 6.894 ( 4.772 -0.983 0.000) 4.872 7.729 ( -0.104 -0.337 0.000) 0.353 7.871 ( 2.685 -11.460 0.000) 11.770 7.999 ( 5.088 0.676 0.000) 5.132 8.118 ( 4.376 -8.874 0.000) 9.894 9.418 ( -0.589 9.750 0.000) 9.767 9.585 ( 1.429 -7.153 0.000) 7.295 9.991 ( -3.815 11.548 0.000) 12.162 10.191 ( 3.114 -8.157 0.000) 8.732 11.318 ( 7.562 -0.874 0.000) 7.613 11.391 ( 6.801 -7.640 0.000) 10.228 13.297 ( -14.911 13.748 0.000) 20.282 13.540 ( -5.981 -9.551 0.000) 11.269 14.272 ( -8.165 9.979 0.000) 12.893 14.516 ( -8.947 -14.206 0.000) 16.788 14.971 ( 11.614 12.344 0.000) 16.948 15.185 ( 13.096 -9.750 0.000) 16.327 17.589 ( -16.001 17.849 0.000) 23.972 17.919 ( -11.647 -15.149 0.000) 19.109 18.521 ( 2.860 3.547 0.000) 4.556 18.672 ( 6.118 -10.838 0.000) 12.446 21.662 ( -2.109 4.794 0.000) 5.237 21.748 ( 1.760 -4.086 0.000) 4.449 24.839 ( -3.690 10.332 0.000) 10.971 25.028 ( -1.855 -9.023 0.000) 9.211 ======================= Grid point 57 (33/180) ======================= q-point: ( 0.20 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( -4.310 15.419 0.000) 16.010 2.941 ( 1.576 0.538 0.000) 1.666 3.367 ( 1.360 5.314 0.000) 5.486 3.579 ( 8.101 -12.745 0.000) 15.102 4.417 ( -13.706 6.282 0.000) 15.077 4.495 ( -8.325 0.013 0.000) 8.325 5.061 ( -9.218 7.789 0.000) 12.068 5.182 ( -2.133 -3.781 0.000) 4.342 6.226 ( 11.210 13.817 0.000) 17.792 6.450 ( 8.991 -8.617 0.000) 12.454 6.953 ( 5.715 6.812 0.000) 8.892 7.090 ( 11.873 -6.558 0.000) 13.564 7.716 ( -1.344 5.960 0.000) 6.110 7.936 ( 3.128 -12.367 0.000) 12.756 8.123 ( 6.623 -0.937 0.000) 6.689 8.226 ( 5.814 -7.077 0.000) 9.159 9.415 ( 0.430 11.711 0.000) 11.719 9.626 ( 2.505 -9.209 0.000) 9.543 9.914 ( -3.732 14.808 0.000) 15.271 10.218 ( -0.574 -15.005 0.000) 15.016 11.503 ( 8.619 1.594 0.000) 8.766 11.575 ( 10.761 -5.511 0.000) 12.090 13.012 ( -10.961 15.892 0.000) 19.306 13.364 ( -8.981 -18.999 0.000) 21.015 14.098 ( -9.114 11.778 0.000) 14.893 14.322 ( -9.939 -10.989 0.000) 14.816 15.219 ( 11.557 12.568 0.000) 17.074 15.432 ( 10.301 -9.187 0.000) 13.803 17.223 ( -18.454 18.500 0.000) 26.131 17.585 ( -19.688 -18.404 0.000) 26.950 18.619 ( 6.104 5.612 0.000) 8.292 18.801 ( 6.476 -12.285 0.000) 13.887 21.606 ( -3.603 8.425 0.000) 9.163 21.767 ( -0.145 -8.104 0.000) 8.106 24.746 ( -5.080 13.711 0.000) 14.622 24.980 ( -2.773 -10.388 0.000) 10.752 ======================= Grid point 58 (34/180) ======================= q-point: ( 0.30 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( -12.373 13.504 0.000) 18.315 2.815 ( -12.746 -9.608 0.000) 15.962 3.401 ( -0.064 11.339 0.000) 11.339 3.602 ( -6.356 -9.123 0.000) 11.119 4.181 ( -7.736 14.230 0.000) 16.197 4.448 ( 3.694 -11.546 0.000) 12.123 4.973 ( 0.358 13.433 0.000) 13.438 5.215 ( 4.993 -10.392 0.000) 11.529 6.429 ( 8.611 10.820 0.000) 13.828 6.604 ( 5.909 -7.139 0.000) 9.267 7.094 ( 8.013 12.107 0.000) 14.519 7.322 ( 10.504 -10.256 0.000) 14.680 7.669 ( -3.440 11.620 0.000) 12.119 7.973 ( 0.186 -15.808 0.000) 15.809 8.248 ( 5.405 0.559 0.000) 5.434 8.337 ( 4.896 -4.771 0.000) 6.836 9.432 ( 1.110 12.976 0.000) 13.024 9.667 ( 0.584 -7.084 0.000) 7.108 9.858 ( -0.826 11.167 0.000) 11.198 10.178 ( -2.977 -17.282 0.000) 17.537 11.583 ( -1.454 9.769 0.000) 9.877 11.766 ( 6.436 -8.616 0.000) 10.754 12.935 ( 4.033 12.945 0.000) 13.558 13.268 ( 0.858 -20.646 0.000) 20.664 13.902 ( -10.035 12.023 0.000) 15.661 14.122 ( -9.610 -10.267 0.000) 14.063 15.401 ( 5.793 10.967 0.000) 12.403 15.575 ( 3.576 -6.664 0.000) 7.563 16.905 ( -11.940 13.508 0.000) 18.028 17.185 ( -18.542 -15.233 0.000) 23.997 18.751 ( 6.596 5.022 0.000) 8.290 18.926 ( 5.641 -12.273 0.000) 13.508 21.515 ( -5.164 11.262 0.000) 12.390 21.739 ( -2.436 -11.682 0.000) 11.934 24.651 ( -4.021 16.776 0.000) 17.251 24.925 ( -2.443 -11.613 0.000) 11.867 ======================= Grid point 59 (35/180) ======================= q-point: ( 0.40 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -10.853 9.870 0.000) 14.670 2.530 ( -12.849 -10.315 0.000) 16.477 3.339 ( -4.452 4.202 0.000) 6.121 3.418 ( -9.092 -4.085 0.000) 9.968 4.119 ( 0.174 22.954 0.000) 22.954 4.554 ( 4.739 -20.808 0.000) 21.341 5.034 ( 4.156 17.662 0.000) 18.144 5.342 ( 6.129 -13.287 0.000) 14.632 6.564 ( 4.485 7.417 0.000) 8.668 6.686 ( 2.407 -5.343 0.000) 5.860 7.264 ( 8.525 13.681 0.000) 16.120 7.501 ( 6.834 -10.652 0.000) 12.656 7.575 ( -5.672 15.366 0.000) 16.380 7.944 ( -2.625 -18.400 0.000) 18.586 8.333 ( 2.826 2.396 0.000) 3.705 8.418 ( 3.005 -3.133 0.000) 4.341 9.454 ( 0.877 13.686 0.000) 13.714 9.637 ( -2.497 4.451 0.000) 5.103 9.890 ( 2.773 -3.328 0.000) 4.332 10.118 ( -2.504 -17.468 0.000) 17.646 11.492 ( -5.399 17.775 0.000) 18.577 11.821 ( -0.064 -14.898 0.000) 14.898 13.121 ( 11.874 10.514 0.000) 15.860 13.375 ( 7.200 -15.528 0.000) 17.116 13.706 ( -8.744 12.246 0.000) 15.047 13.949 ( -7.006 -12.073 0.000) 13.959 15.457 ( 0.811 7.387 0.000) 7.431 15.585 ( -2.081 -5.477 0.000) 5.859 16.755 ( -3.335 5.897 0.000) 6.774 16.881 ( -10.810 -7.423 0.000) 13.113 18.871 ( 4.869 3.570 0.000) 6.038 19.017 ( 3.084 -10.704 0.000) 11.139 21.416 ( -4.082 12.932 0.000) 13.561 21.683 ( -2.604 -14.326 0.000) 14.561 24.590 ( -1.984 18.497 0.000) 18.603 24.886 ( -1.327 -12.248 0.000) 12.319 ======================= Grid point 60 (36/180) ======================= q-point: (-0.50 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 0.000 7.734 0.000) 7.734 2.385 ( 0.000 -9.935 0.000) 9.935 3.296 ( 0.000 0.045 0.000) 0.045 3.305 ( -0.000 -0.805 0.000) 0.805 4.128 ( 0.000 25.082 0.000) 25.082 4.604 ( 0.000 -23.192 0.000) 23.192 5.085 ( 0.000 18.924 0.000) 18.924 5.412 ( 0.000 -14.025 0.000) 14.025 6.609 ( 0.000 5.926 0.000) 5.926 6.709 ( 0.000 -4.557 0.000) 4.557 7.415 ( -0.000 7.442 0.000) 7.442 7.451 ( 0.000 21.302 0.000) 21.302 7.582 ( 0.000 -7.922 0.000) 7.922 7.906 ( 0.000 -19.899 0.000) 19.899 8.361 ( 0.000 3.248 0.000) 3.248 8.450 ( 0.000 -2.698 0.000) 2.698 9.463 ( 0.000 13.774 0.000) 13.774 9.607 ( 0.000 7.533 0.000) 7.533 9.924 ( 0.000 -8.052 0.000) 8.052 10.090 ( 0.000 -17.143 0.000) 17.143 11.430 ( 0.000 20.520 0.000) 20.520 11.812 ( 0.000 -17.593 0.000) 17.593 13.295 ( -0.000 7.755 0.000) 7.755 13.438 ( 0.000 -2.576 0.000) 2.576 13.609 ( 0.000 6.467 0.000) 6.467 13.867 ( 0.000 -14.440 0.000) 14.440 15.470 ( 0.000 3.492 0.000) 3.492 15.542 ( 0.000 -4.635 0.000) 4.635 16.749 ( 0.000 -0.301 0.000) 0.301 16.750 ( -0.000 0.175 0.000) 0.175 18.925 ( 0.000 2.489 0.000) 2.489 19.047 ( 0.000 -9.377 0.000) 9.377 21.371 ( 0.000 13.404 0.000) 13.404 21.653 ( 0.000 -15.321 0.000) 15.321 24.570 ( 0.000 19.001 0.000) 19.001 24.873 ( 0.000 -12.411 0.000) 12.411 ======================= Grid point 121 (37/180) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 0.000 0.000 26.931) 26.931 0.590 ( 0.000 0.000 28.926) 28.926 1.180 ( 0.000 0.000 57.927) 57.927 3.362 ( 0.000 0.000 -4.033) 4.033 3.936 ( 0.000 0.000 10.235) 10.235 4.187 ( 0.000 0.000 -10.193) 10.193 5.266 ( 0.000 0.000 7.996) 7.996 5.386 ( 0.000 0.000 -6.328) 6.328 5.512 ( 0.000 0.000 10.628) 10.628 6.305 ( 0.000 0.000 5.522) 5.522 6.650 ( 0.000 0.000 9.613) 9.613 6.933 ( 0.000 0.000 -8.150) 8.150 7.127 ( 0.000 0.000 5.009) 5.009 7.735 ( 0.000 0.000 -1.190) 1.190 8.961 ( 0.000 0.000 3.892) 3.892 9.690 ( 0.000 0.000 -2.737) 2.737 9.718 ( 0.000 0.000 -4.996) 4.996 9.741 ( 0.000 0.000 -1.669) 1.669 10.566 ( 0.000 0.000 5.374) 5.374 10.960 ( 0.000 0.000 0.022) 0.022 12.193 ( 0.000 0.000 -2.153) 2.153 12.620 ( 0.000 0.000 7.741) 7.741 12.866 ( 0.000 0.000 7.251) 7.251 13.292 ( 0.000 0.000 2.648) 2.648 13.565 ( 0.000 0.000 -14.211) 14.211 14.405 ( 0.000 0.000 -4.124) 4.124 15.244 ( 0.000 0.000 6.913) 6.913 15.803 ( 0.000 0.000 1.016) 1.016 16.397 ( 0.000 0.000 -4.750) 4.750 16.865 ( 0.000 0.000 -5.912) 5.912 19.419 ( 0.000 0.000 4.900) 4.900 20.167 ( 0.000 0.000 3.626) 3.626 21.031 ( 0.000 0.000 -7.701) 7.701 21.418 ( 0.000 0.000 -4.316) 4.316 23.502 ( 0.000 0.000 9.803) 9.803 25.491 ( 0.000 0.000 -4.709) 4.709 ======================= Grid point 122 (38/180) ======================= q-point: ( 0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 22.808 0.000 21.893) 31.615 0.934 ( 27.226 0.000 18.725) 33.044 1.646 ( 41.717 0.000 35.393) 54.708 3.709 ( 19.480 0.000 -8.212) 21.141 3.969 ( 7.252 0.000 6.233) 9.563 4.042 ( -14.284 0.000 -9.618) 17.220 5.018 ( -15.419 0.000 3.184) 15.745 5.423 ( -4.353 0.000 1.196) 4.514 5.568 ( 3.742 0.000 11.021) 11.639 6.314 ( 0.084 0.000 4.453) 4.454 6.781 ( 7.731 0.000 3.216) 8.373 6.857 ( 1.003 0.000 -4.349) 4.463 7.391 ( 17.665 0.000 -0.183) 17.666 7.742 ( 1.955 0.000 -1.651) 2.559 9.031 ( -0.021 0.000 9.724) 9.724 9.233 ( -26.001 0.000 -1.615) 26.051 9.464 ( -11.289 0.000 2.055) 11.474 10.139 ( 17.833 0.000 -4.174) 18.315 10.364 ( -13.875 0.000 5.894) 15.075 10.922 ( -2.844 0.000 16.534) 16.777 12.135 ( -5.324 0.000 -1.847) 5.635 12.218 ( -13.425 0.000 12.893) 18.613 13.069 ( -15.984 0.000 -3.652) 16.396 13.197 ( 6.989 0.000 -5.098) 8.651 13.802 ( 17.673 0.000 -9.048) 19.855 14.539 ( 11.459 0.000 -4.350) 12.257 14.598 ( -27.636 0.000 31.266) 41.729 15.288 ( 4.937 0.000 7.048) 8.606 16.715 ( -14.021 0.000 -4.100) 14.609 17.921 ( 49.830 0.000 -49.220) 70.040 19.326 ( -8.548 0.000 2.473) 8.898 20.269 ( 8.884 0.000 5.057) 10.223 20.705 ( -17.417 0.000 -6.744) 18.677 21.763 ( 17.491 0.000 -6.136) 18.536 23.145 ( -20.139 0.000 25.344) 32.371 25.491 ( 0.009 0.000 -4.583) 4.583 ======================= Grid point 123 (39/180) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 23.587 0.000 18.571) 30.021 1.523 ( 29.256 0.000 12.131) 31.672 2.521 ( 38.714 0.000 16.630) 42.134 3.644 ( -23.275 0.000 -6.335) 24.122 3.989 ( 14.574 0.000 5.458) 15.562 4.327 ( 23.768 0.000 -4.849) 24.257 4.710 ( -15.794 0.000 1.496) 15.865 5.210 ( -14.311 0.000 5.835) 15.455 5.642 ( 3.499 0.000 12.655) 13.129 6.307 ( -0.174 0.000 3.366) 3.371 6.888 ( 3.223 0.000 5.255) 6.165 6.999 ( 10.827 0.000 -4.653) 11.785 7.742 ( 16.001 0.000 -2.595) 16.210 7.825 ( 5.582 0.000 -4.761) 7.337 8.703 ( -25.632 0.000 0.567) 25.639 8.818 ( -15.595 0.000 20.161) 25.489 9.455 ( 4.256 0.000 -9.468) 10.380 10.063 ( -15.886 0.000 5.176) 16.708 10.449 ( 12.763 0.000 -4.128) 13.414 10.861 ( -2.850 0.000 23.359) 23.532 11.999 ( -7.634 0.000 -1.238) 7.734 12.051 ( -5.393 0.000 2.747) 6.053 12.738 ( -15.632 0.000 -6.563) 16.954 13.152 ( -7.488 0.000 3.619) 8.316 14.169 ( 16.422 0.000 -6.794) 17.772 14.449 ( 3.988 0.000 11.220) 11.908 14.783 ( 10.926 0.000 -6.287) 12.606 15.491 ( 16.143 0.000 5.529) 17.063 16.362 ( -18.560 0.000 0.805) 18.577 18.540 ( 19.444 0.000 -28.505) 34.505 19.092 ( -14.558 0.000 -0.168) 14.559 20.387 ( -14.968 0.000 -11.745) 19.026 20.471 ( 10.053 0.000 6.154) 11.787 22.024 ( 9.176 0.000 4.545) 10.240 22.864 ( -8.760 0.000 15.453) 17.763 25.492 ( 0.141 0.000 -4.239) 4.241 ======================= Grid point 124 (40/180) ======================= q-point: ( 0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 21.329 0.000 15.494) 26.363 2.069 ( 23.474 0.000 8.803) 25.070 3.063 ( 14.654 0.000 8.318) 16.851 3.193 ( -18.580 0.000 -0.910) 18.602 4.335 ( -21.647 0.000 1.413) 21.693 4.431 ( 27.691 0.000 4.430) 28.043 4.839 ( 26.416 0.000 -3.043) 26.591 4.941 ( -10.965 0.000 7.497) 13.283 5.701 ( 2.086 0.000 12.754) 12.924 6.318 ( 1.345 0.000 2.822) 3.126 6.929 ( 1.131 0.000 6.371) 6.471 7.224 ( 10.409 0.000 -4.756) 11.444 7.917 ( 1.554 0.000 -6.935) 7.106 7.962 ( 0.098 0.000 -4.447) 4.448 8.279 ( -10.225 0.000 2.318) 10.484 8.546 ( -8.965 0.000 17.050) 19.263 9.438 ( -9.454 0.000 -10.776) 14.335 9.786 ( -8.206 0.000 6.800) 10.657 10.652 ( 7.297 0.000 -3.353) 8.031 10.819 ( -1.198 0.000 25.667) 25.695 11.844 ( -7.212 0.000 -1.303) 7.329 11.963 ( -3.549 0.000 -0.812) 3.641 12.471 ( -10.310 0.000 -7.505) 12.753 12.995 ( -7.044 0.000 8.198) 10.808 14.404 ( 6.487 0.000 -3.421) 7.334 14.574 ( 6.560 0.000 4.263) 7.823 14.962 ( 7.432 0.000 -7.593) 10.625 15.740 ( -4.882 0.000 -6.528) 8.151 16.231 ( 18.637 0.000 12.130) 22.237 18.734 ( -20.992 0.000 -0.448) 20.997 18.865 ( 14.337 0.000 -18.280) 23.232 20.082 ( -15.310 0.000 -12.856) 19.992 20.650 ( 7.360 0.000 5.992) 9.491 22.161 ( 4.815 0.000 14.668) 15.438 22.745 ( -3.760 0.000 3.296) 5.000 25.497 ( 0.290 0.000 -3.790) 3.801 ======================= Grid point 125 (41/180) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 14.049 0.000 14.291) 20.040 2.374 ( 4.505 0.000 5.288) 6.947 3.039 ( 6.325 0.000 5.056) 8.097 3.202 ( 1.577 0.000 5.288) 5.519 3.867 ( -23.476 0.000 4.605) 23.923 4.776 ( -5.469 0.000 6.180) 8.252 4.951 ( 20.468 0.000 1.499) 20.522 5.361 ( 23.045 0.000 -0.219) 23.046 5.713 ( -1.048 0.000 11.176) 11.225 6.355 ( 1.965 0.000 2.462) 3.150 6.939 ( -0.051 0.000 4.554) 4.555 7.395 ( 6.157 0.000 -3.844) 7.258 7.732 ( -13.088 0.000 -1.154) 13.139 7.834 ( -8.133 0.000 -1.195) 8.221 8.324 ( 5.557 0.000 -1.880) 5.866 8.531 ( 6.994 0.000 8.135) 10.728 9.115 ( -18.662 0.000 -4.469) 19.190 9.717 ( -1.308 0.000 3.485) 3.723 10.750 ( 2.631 0.000 -2.421) 3.575 10.811 ( 0.221 0.000 26.172) 26.173 11.724 ( -4.351 0.000 -2.163) 4.858 11.907 ( -1.927 0.000 -2.113) 2.860 12.326 ( -4.228 0.000 -7.203) 8.352 12.884 ( -3.793 0.000 10.657) 11.312 14.458 ( 0.082 0.000 -1.415) 1.417 14.682 ( 3.768 0.000 2.263) 4.395 15.102 ( 6.444 0.000 -7.022) 9.531 15.507 ( -11.530 0.000 -4.219) 12.278 16.856 ( 35.244 0.000 6.635) 35.863 18.243 ( -27.346 0.000 1.106) 27.369 19.150 ( 14.118 0.000 -15.382) 20.879 19.771 ( -15.305 0.000 -11.711) 19.271 20.762 ( 3.684 0.000 5.492) 6.613 22.229 ( 2.077 0.000 21.831) 21.930 22.695 ( -1.440 0.000 -5.091) 5.291 25.502 ( 0.250 0.000 -3.409) 3.418 ======================= Grid point 126 (42/180) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 0.000 0.000 14.189) 14.189 2.379 ( 0.000 0.000 5.151) 5.151 3.205 ( -0.000 0.000 4.439) 4.439 3.267 ( 0.000 0.000 2.456) 2.456 3.499 ( -0.000 0.000 10.183) 10.183 4.720 ( 0.000 0.000 5.341) 5.341 5.175 ( 0.000 0.000 0.215) 0.215 5.636 ( -0.000 0.000 13.800) 13.800 5.678 ( 0.000 0.000 -2.543) 2.543 6.379 ( 0.000 0.000 2.328) 2.328 6.935 ( 0.000 0.000 2.341) 2.341 7.463 ( 0.000 0.000 -1.347) 1.347 7.584 ( -0.000 0.000 -2.833) 2.833 7.725 ( 0.000 0.000 3.355) 3.355 8.385 ( 0.000 0.000 -2.678) 2.678 8.760 ( -0.000 0.000 6.063) 6.063 8.770 ( 0.000 0.000 -4.909) 4.909 9.703 ( 0.000 0.000 3.219) 3.219 10.773 ( 0.000 0.000 -2.038) 2.038 10.816 ( 0.000 0.000 26.073) 26.073 11.679 ( 0.000 0.000 -2.609) 2.609 11.887 ( 0.000 0.000 -2.501) 2.501 12.286 ( 0.000 0.000 -6.921) 6.921 12.845 ( 0.000 0.000 11.570) 11.570 14.452 ( 0.000 0.000 -0.909) 0.909 14.720 ( 0.000 0.000 1.802) 1.802 15.193 ( 0.000 0.000 -6.532) 6.532 15.363 ( -0.000 0.000 -3.680) 3.680 17.438 ( 0.000 0.000 2.245) 2.245 17.748 ( -0.000 0.000 4.327) 4.327 19.396 ( 0.000 0.000 -21.755) 21.755 19.512 ( -0.000 0.000 -4.184) 4.184 20.799 ( 0.000 0.000 5.262) 5.262 22.250 ( 0.000 0.000 24.495) 24.495 22.681 ( 0.000 0.000 -8.130) 8.130 25.505 ( 0.000 0.000 -3.260) 3.260 ======================= Grid point 132 (43/180) ======================= q-point: ( 0.00 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 0.000 18.838 18.120) 26.139 0.871 ( 0.000 26.849 16.533) 31.532 1.723 ( 0.000 44.132 37.752) 58.076 3.380 ( 0.000 1.645 -4.040) 4.362 3.886 ( 0.000 -2.492 9.891) 10.200 4.286 ( 0.000 7.076 -8.671) 11.192 5.317 ( 0.000 -5.922 -3.320) 6.789 5.319 ( 0.000 2.734 9.949) 10.318 5.544 ( 0.000 2.302 8.176) 8.493 6.622 ( 0.000 -2.647 6.875) 7.367 6.846 ( 0.000 22.475 -17.617) 28.557 6.926 ( 0.000 -0.755 -5.694) 5.744 7.177 ( 0.000 14.056 -5.125) 14.961 7.757 ( 0.000 1.988 -1.628) 2.570 8.893 ( 0.000 -5.497 1.940) 5.830 9.387 ( 0.000 -20.374 -4.798) 20.931 9.594 ( 0.000 -13.451 3.874) 13.998 9.836 ( 0.000 2.794 -0.387) 2.820 10.511 ( 0.000 -27.283 40.122) 48.520 10.552 ( 0.000 -1.936 6.132) 6.430 12.127 ( 0.000 -5.841 -2.879) 6.512 12.340 ( 0.000 -25.203 25.937) 36.166 12.671 ( 0.000 5.107 4.465) 6.784 13.446 ( 0.000 14.453 4.249) 15.064 13.458 ( 0.000 -8.915 -8.484) 12.306 14.044 ( 0.000 -1.025 6.743) 6.820 14.778 ( 0.000 0.801 -3.938) 4.019 16.297 ( 0.000 -10.422 -6.967) 12.537 16.891 ( 0.000 3.104 -3.899) 4.983 17.521 ( 0.000 50.120 -51.195) 71.645 19.371 ( 0.000 -4.840 4.694) 6.742 19.668 ( 0.000 -23.862 23.385) 33.410 21.414 ( 0.000 12.511 -24.078) 27.134 21.437 ( 0.000 1.876 -4.609) 4.976 23.971 ( 0.000 26.852 -9.986) 28.649 25.471 ( 0.000 -2.013 -4.356) 4.799 ======================= Grid point 133 (44/180) ======================= q-point: ( 0.10 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 20.825 10.368 16.326) 28.420 1.134 ( 19.148 17.917 15.691) 30.559 2.071 ( 31.710 36.466 26.636) 55.179 3.650 ( 18.514 -3.401 -6.742) 19.995 3.899 ( 1.867 -3.274 5.840) 6.951 4.155 ( -9.947 7.234 -4.633) 13.143 5.045 ( -15.648 1.401 2.522) 15.912 5.396 ( -2.254 -2.308 3.728) 4.930 5.568 ( 1.568 0.892 10.229) 10.386 6.588 ( -1.390 7.516 4.929) 9.095 6.766 ( -3.708 4.367 -7.318) 9.294 6.987 ( 4.232 14.521 -7.277) 16.784 7.343 ( 13.502 -2.935 -0.159) 13.818 7.805 ( 4.985 5.721 -2.775) 8.080 8.899 ( -6.040 -12.104 -0.297) 13.531 9.117 ( -15.708 -8.039 5.743) 18.557 9.491 ( -8.242 -1.850 5.517) 10.089 9.991 ( 12.958 -12.204 -0.291) 17.802 10.292 ( -9.876 -6.749 10.485) 15.907 10.810 ( 8.400 -7.572 17.849) 21.130 12.076 ( -5.718 -5.590 -0.989) 8.057 12.175 ( -7.311 -5.151 11.863) 14.856 12.893 ( 8.765 -16.544 3.031) 18.967 13.208 ( -11.058 10.060 -1.263) 15.002 13.762 ( 18.519 -4.496 -1.232) 19.096 14.120 ( 7.557 -0.564 6.491) 9.978 14.751 ( -1.103 3.199 -4.891) 5.947 15.949 ( -20.026 28.329 0.401) 34.695 16.534 ( -15.984 -12.197 -6.745) 21.207 18.144 ( 29.893 13.051 -37.682) 49.838 19.248 ( -9.391 -7.555 2.083) 12.232 19.887 ( 16.662 -20.792 17.490) 31.872 20.961 ( -21.929 12.063 -13.394) 28.387 21.829 ( 16.652 2.686 -10.903) 20.084 23.567 ( -28.011 30.981 9.773) 42.894 25.471 ( -0.075 -2.066 -4.328) 4.796 ======================= Grid point 134 (45/180) ======================= q-point: ( 0.20 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 24.067 5.258 12.842) 27.781 1.579 ( 24.303 8.429 13.462) 29.033 2.769 ( 31.317 22.676 13.004) 40.793 3.632 ( -19.648 -1.027 -4.727) 20.234 4.001 ( 11.242 0.682 2.799) 11.605 4.275 ( 19.190 -3.788 -0.680) 19.572 4.734 ( -14.569 2.070 0.821) 14.738 5.239 ( -10.070 2.793 6.752) 12.442 5.626 ( 3.722 -0.392 11.157) 11.768 6.529 ( -3.125 16.106 2.901) 16.661 6.826 ( 6.391 -4.486 -1.106) 7.886 7.069 ( 4.893 7.372 -1.489) 8.973 7.627 ( 12.884 -7.654 -3.969) 15.502 7.945 ( 7.866 8.051 -2.664) 11.567 8.571 ( -20.793 -11.184 -1.845) 23.682 8.833 ( -13.519 0.971 17.100) 21.820 9.469 ( 2.872 -0.276 -3.631) 4.638 9.996 ( -13.610 -7.122 6.163) 16.551 10.304 ( 11.512 -11.037 -0.748) 15.965 10.872 ( -0.651 -0.326 17.790) 17.805 11.906 ( -9.592 -6.239 0.286) 11.446 12.099 ( -1.977 1.328 2.237) 3.267 12.799 ( -12.784 1.208 -4.519) 13.613 13.094 ( -3.576 0.163 4.730) 5.932 14.138 ( 16.209 -5.559 -1.130) 17.173 14.352 ( 13.757 -0.215 3.203) 14.126 14.793 ( 5.957 -0.364 -6.273) 8.659 15.756 ( -0.584 20.016 1.763) 20.102 16.221 ( -13.867 -12.484 -0.867) 18.678 18.560 ( 13.094 0.079 -20.893) 24.657 19.021 ( -12.435 -6.687 -2.616) 14.359 20.189 ( 9.172 -17.978 7.062) 21.382 20.587 ( -12.642 12.060 -8.673) 19.507 22.104 ( 10.998 3.483 -5.089) 12.609 23.103 ( -17.187 22.739 15.996) 32.685 25.468 ( -0.153 -2.443 -3.988) 4.679 ======================= Grid point 135 (46/180) ======================= q-point: ( 0.30 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 20.737 4.523 10.987) 23.899 2.060 ( 21.604 1.403 10.720) 24.158 3.137 ( -3.097 3.991 0.480) 5.074 3.269 ( -4.397 9.861 5.404) 12.074 4.247 ( -6.301 -8.626 1.257) 10.755 4.343 ( 0.067 -6.435 3.540) 7.345 4.808 ( 23.184 1.285 0.056) 23.219 5.143 ( 3.676 13.524 6.327) 15.376 5.697 ( 2.870 0.549 10.107) 10.521 6.495 ( -0.258 14.423 3.334) 14.806 6.915 ( 2.146 -1.283 3.022) 3.922 7.207 ( 7.867 -0.528 -3.357) 8.569 7.787 ( -0.721 -8.861 -6.978) 11.302 8.036 ( -2.138 2.820 -2.517) 4.342 8.247 ( -5.181 -1.597 3.268) 6.331 8.618 ( -5.926 6.398 12.935) 15.600 9.449 ( -8.668 0.470 -7.088) 11.207 9.730 ( -8.594 -5.951 7.227) 12.708 10.522 ( 9.275 -9.953 0.775) 13.627 10.837 ( -1.909 -0.175 18.696) 18.794 11.710 ( -9.502 -9.035 -0.978) 13.148 12.067 ( -1.374 5.459 -0.580) 5.659 12.565 ( -9.057 7.910 -5.371) 13.170 12.993 ( -5.637 1.200 7.579) 9.522 14.389 ( 8.747 -2.734 -1.450) 9.278 14.538 ( 3.980 -0.541 2.069) 4.519 14.976 ( 9.612 -1.521 -8.077) 12.647 15.717 ( -8.231 -2.159 -6.289) 10.581 16.204 ( 17.644 -0.893 9.958) 20.280 18.551 ( -17.000 -13.923 -2.075) 22.071 18.938 ( 8.214 2.589 -14.191) 16.600 20.082 ( -14.551 -4.197 -10.173) 18.243 20.593 ( 7.608 -0.177 6.165) 9.794 22.288 ( 7.441 6.803 1.444) 10.185 22.842 ( -9.613 12.763 11.142) 19.479 25.466 ( -0.052 -3.058 -3.536) 4.675 ======================= Grid point 136 (47/180) ======================= q-point: ( 0.40 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 7.878 -0.954 9.410) 12.310 2.391 ( 11.351 3.746 8.071) 14.423 3.023 ( 2.947 -1.006 5.528) 6.345 3.299 ( 0.731 8.411 4.535) 9.583 3.844 ( -21.669 -2.262 4.342) 22.216 4.418 ( -0.202 -19.256 3.271) 19.533 5.287 ( 18.744 11.154 0.228) 21.813 5.386 ( 17.826 8.396 3.575) 20.026 5.721 ( -0.974 1.793 8.124) 8.376 6.509 ( 1.281 13.363 3.048) 13.766 6.939 ( 0.944 0.098 2.886) 3.038 7.319 ( 0.793 -6.583 -2.781) 7.191 7.599 ( -9.584 -7.262 -2.732) 12.331 7.961 ( -4.800 6.575 -2.278) 8.453 8.283 ( 4.290 -2.196 4.487) 6.585 8.631 ( 6.168 8.397 4.627) 11.400 9.144 ( -17.456 2.709 -2.470) 17.837 9.657 ( -1.322 -6.334 3.712) 7.460 10.657 ( 3.630 -6.788 4.601) 8.968 10.821 ( 0.644 -0.760 16.693) 16.722 11.542 ( -6.469 -12.830 -1.578) 14.455 12.046 ( -0.637 8.257 -2.557) 8.667 12.441 ( -3.506 10.570 -5.239) 12.307 12.893 ( -3.831 1.419 9.713) 10.537 14.473 ( 0.025 0.613 -1.126) 1.283 14.595 ( 2.827 -6.590 2.263) 7.519 15.111 ( 3.787 -1.518 -7.189) 8.266 15.551 ( -5.975 4.909 -5.174) 9.304 16.760 ( 32.841 -8.517 6.678) 34.578 18.081 ( -27.481 -14.785 1.112) 31.225 19.166 ( 12.668 0.272 -13.938) 18.836 19.771 ( -15.305 -1.400 -10.588) 18.663 20.723 ( 4.571 -1.496 6.709) 8.255 22.413 ( 5.023 12.682 10.011) 16.920 22.690 ( -5.681 3.483 2.494) 7.114 25.466 ( 0.024 -3.615 -3.159) 4.801 ======================= Grid point 137 (48/180) ======================= q-point: (-0.50 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 0.000 -4.756 8.073) 9.370 2.526 ( 0.000 9.051 8.612) 12.494 3.110 ( 0.000 -5.612 6.851) 8.856 3.379 ( 0.000 6.847 0.588) 6.873 3.504 ( -0.000 0.479 10.357) 10.368 4.405 ( 0.000 -20.131 2.725) 20.314 5.496 ( 0.000 19.471 0.211) 19.472 5.645 ( -0.000 1.115 10.704) 10.762 5.657 ( 0.000 -0.309 -1.026) 1.072 6.527 ( 0.000 13.314 2.519) 13.550 6.959 ( 0.000 2.312 1.377) 2.691 7.260 ( 0.000 -13.867 -0.395) 13.873 7.539 ( 0.000 -3.555 -2.548) 4.374 7.894 ( 0.000 10.616 0.958) 10.659 8.338 ( 0.000 -3.811 1.457) 4.080 8.826 ( -0.000 5.883 4.940) 7.682 8.829 ( 0.000 5.693 -3.415) 6.638 9.644 ( 0.000 -6.297 3.171) 7.051 10.685 ( 0.000 -5.976 8.730) 10.579 10.838 ( 0.000 0.082 13.136) 13.137 11.473 ( 0.000 -14.850 -1.753) 14.953 12.040 ( 0.000 9.252 -3.388) 9.853 12.408 ( 0.000 11.463 -5.070) 12.534 12.852 ( 0.000 1.009 10.533) 10.582 14.462 ( 0.000 0.102 -0.465) 0.476 14.628 ( 0.000 -7.556 2.190) 7.867 15.146 ( 0.000 -3.909 -6.509) 7.593 15.492 ( 0.000 10.755 -5.049) 11.881 17.353 ( 0.000 -8.085 2.552) 8.478 17.551 ( -0.000 -18.194 4.429) 18.725 19.386 ( 0.000 -2.326 -19.296) 19.436 19.524 ( -0.000 0.640 -4.613) 4.657 20.770 ( 0.000 -1.241 6.537) 6.654 22.475 ( 0.000 21.156 20.490) 29.452 22.622 ( -0.000 -6.000 -8.099) 10.079 25.466 ( 0.000 -3.839 -3.012) 4.879 ======================= Grid point 143 (49/180) ======================= q-point: ( 0.00 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 0.000 28.189 4.965) 28.623 1.435 ( 0.000 29.191 9.503) 30.699 2.659 ( 0.000 48.979 19.703) 52.793 3.416 ( 0.000 1.708 -4.264) 4.594 3.833 ( 0.000 -3.314 6.697) 7.472 4.461 ( 0.000 11.128 -6.117) 12.698 5.181 ( 0.000 -7.529 -0.773) 7.568 5.371 ( 0.000 2.824 11.199) 11.550 5.587 ( 0.000 1.972 7.101) 7.370 6.559 ( 0.000 -3.516 1.670) 3.893 6.891 ( 0.000 -4.820 3.535) 5.977 6.904 ( 0.000 -1.425 -1.237) 1.887 7.670 ( 0.000 24.249 -20.219) 31.572 7.801 ( 0.000 2.154 -2.802) 3.534 8.799 ( 0.000 -3.601 -6.989) 7.862 8.938 ( 0.000 -24.646 -3.338) 24.871 9.287 ( 0.000 -16.963 10.200) 19.794 9.845 ( 0.000 -1.270 3.010) 3.267 10.167 ( 0.000 -9.623 40.664) 41.787 10.478 ( 0.000 -5.333 8.335) 9.895 11.986 ( 0.000 -8.469 -2.658) 8.877 11.991 ( 0.000 -14.356 12.805) 19.237 12.818 ( 0.000 9.738 -1.503) 9.854 13.327 ( 0.000 -4.079 -5.488) 6.838 13.796 ( 0.000 19.920 5.545) 20.677 14.135 ( 0.000 5.969 -2.879) 6.627 14.847 ( 0.000 4.798 -7.586) 8.976 15.993 ( 0.000 -20.134 -9.857) 22.418 16.999 ( 0.000 7.954 -1.424) 8.080 17.982 ( 0.000 7.318 -27.075) 28.047 19.237 ( 0.000 -8.539 4.403) 9.608 19.338 ( 0.000 -12.488 18.943) 22.689 21.483 ( 0.000 2.602 -5.512) 6.095 21.527 ( 0.000 2.118 -18.835) 18.954 24.333 ( 0.000 12.584 -3.333) 13.018 25.412 ( 0.000 -4.041 -3.548) 5.377 ======================= Grid point 144 (50/180) ======================= q-point: ( 0.10 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 11.193 24.818 5.830) 27.842 1.567 ( 10.993 24.858 9.161) 28.682 2.868 ( 19.392 42.218 14.939) 48.801 3.610 ( 14.370 -1.169 -5.741) 15.519 3.832 ( 0.399 -3.923 4.777) 6.195 4.318 ( -11.062 9.503 -1.811) 14.695 5.053 ( -11.881 -0.539 -0.148) 11.894 5.359 ( -1.224 -1.087 8.994) 9.142 5.602 ( 0.868 2.522 9.011) 9.397 6.554 ( 2.631 -4.208 1.490) 5.182 6.837 ( -2.462 1.471 2.174) 3.599 7.122 ( 14.435 -4.828 -3.050) 15.523 7.509 ( -8.632 17.220 -9.415) 21.440 7.949 ( 8.842 8.963 -5.159) 13.606 8.621 ( -13.326 -15.559 -7.199) 21.713 8.967 ( -1.468 -6.649 5.077) 8.494 9.302 ( 1.076 -16.734 7.223) 18.258 9.814 ( 2.044 -4.679 7.517) 9.087 10.143 ( -3.994 -7.535 14.578) 16.889 10.680 ( 13.328 -5.966 16.330) 21.907 11.928 ( -4.784 -9.544 1.785) 10.824 12.020 ( 1.710 -9.523 6.931) 11.901 12.749 ( -3.667 0.104 -0.807) 3.756 13.376 ( -0.270 5.743 -3.134) 6.548 13.815 ( 5.538 9.957 3.312) 11.865 14.230 ( 8.303 7.865 -2.647) 11.739 14.813 ( -2.899 2.862 -7.385) 8.434 15.997 ( 0.237 -17.147 -7.367) 18.664 16.579 ( -29.082 14.703 -2.885) 32.715 18.268 ( 17.528 0.397 -20.171) 26.725 19.055 ( -11.051 -11.593 2.057) 16.148 19.563 ( 14.303 -13.746 16.565) 25.844 21.152 ( -16.883 8.472 -12.480) 22.640 21.833 ( 14.702 -1.625 -10.999) 18.433 24.071 ( -21.935 20.004 3.239) 29.863 25.409 ( -0.372 -4.282 -3.539) 5.568 ======================= Grid point 145 (51/180) ======================= q-point: ( 0.20 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 16.469 14.919 4.902) 22.756 1.858 ( 17.541 18.736 9.760) 27.459 3.284 ( 15.112 26.635 4.598) 30.967 3.613 ( -11.994 -0.032 -0.334) 11.999 3.983 ( 9.553 -2.863 -3.558) 10.588 4.233 ( 5.764 -0.017 5.130) 7.717 4.786 ( -11.375 3.457 1.128) 11.942 5.304 ( -2.011 3.196 8.774) 9.552 5.653 ( 4.403 3.624 9.532) 11.108 6.663 ( 5.457 -2.707 0.729) 6.135 6.802 ( 0.598 2.154 0.967) 2.436 7.311 ( -0.315 13.687 -5.287) 14.676 7.481 ( 9.108 -5.245 -3.815) 11.181 8.106 ( 4.904 7.427 -0.848) 8.940 8.339 ( -12.384 -10.597 -3.479) 16.666 8.856 ( -7.001 1.611 10.274) 12.537 9.358 ( 3.522 -12.769 2.846) 13.548 9.823 ( -7.157 -7.972 7.338) 12.985 10.122 ( 6.601 -7.251 3.437) 10.391 10.833 ( 1.513 -3.326 13.989) 14.459 11.777 ( -10.191 -6.838 0.459) 12.281 12.065 ( 2.708 -4.872 3.704) 6.693 12.712 ( -1.061 -5.382 0.077) 5.486 13.273 ( -7.599 13.731 1.767) 15.792 14.041 ( 14.400 -3.109 0.644) 14.746 14.447 ( 12.298 7.687 -2.582) 14.730 14.756 ( -1.861 -3.563 -7.184) 8.232 15.917 ( -13.261 -13.140 -5.609) 19.493 16.163 ( -4.498 17.103 0.825) 17.704 18.489 ( 0.757 -7.456 -7.547) 10.636 18.852 ( -5.468 -10.127 -6.850) 13.393 19.819 ( 8.945 -18.429 10.836) 23.174 20.856 ( -11.246 14.063 -10.354) 20.771 22.095 ( 11.155 -3.778 -9.179) 14.932 23.613 ( -20.866 26.315 10.647) 35.231 25.397 ( -0.758 -4.810 -3.294) 5.879 ======================= Grid point 146 (52/180) ======================= q-point: ( 0.30 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 14.997 3.255 5.052) 16.156 2.232 ( 18.087 15.166 8.989) 25.258 3.180 ( -15.089 1.121 -2.022) 15.265 3.544 ( -0.401 15.532 5.379) 16.441 4.058 ( -6.074 -9.198 0.938) 11.062 4.236 ( -6.088 -3.723 1.201) 7.237 4.859 ( 19.204 2.766 1.771) 19.482 5.381 ( 9.991 9.303 7.570) 15.610 5.759 ( 5.571 6.758 6.991) 11.206 6.703 ( 0.531 4.086 3.515) 5.416 6.888 ( 5.113 -1.494 -1.750) 5.607 7.283 ( -1.092 9.239 -2.773) 9.708 7.613 ( -0.461 -7.799 -5.877) 9.776 8.030 ( -5.185 -2.569 -2.778) 6.419 8.281 ( 1.954 4.883 7.976) 9.554 8.767 ( -0.851 8.420 5.867) 10.298 9.394 ( -1.454 -9.403 0.085) 9.516 9.582 ( -12.857 -6.113 7.535) 16.107 10.335 ( 11.619 -8.535 1.549) 14.500 10.804 ( -2.588 -2.720 13.775) 14.277 11.534 ( -13.129 -8.570 -0.505) 15.686 12.120 ( 2.455 -0.370 0.212) 2.492 12.681 ( -1.629 2.882 -0.359) 3.330 13.118 ( -7.537 11.844 4.695) 14.804 14.302 ( 9.817 -5.885 0.223) 11.448 14.565 ( -2.783 0.526 -0.112) 2.835 14.861 ( 12.453 -7.183 -8.414) 16.657 15.669 ( -6.593 -2.405 -5.803) 9.107 16.258 ( 10.754 6.498 4.900) 13.486 18.239 ( -21.063 -17.531 0.117) 27.404 18.921 ( 8.537 -4.160 -11.056) 14.574 19.860 ( -5.037 -15.578 0.034) 16.372 20.738 ( -0.616 12.178 -2.138) 12.379 22.285 ( 7.699 -5.862 -8.005) 12.558 23.266 ( -13.446 27.338 13.031) 33.136 25.381 ( -0.764 -5.530 -2.907) 6.294 ======================= Grid point 147 (53/180) ======================= q-point: ( 0.40 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 3.666 -3.201 5.806) 7.576 2.556 ( 13.970 12.218 6.264) 19.588 3.007 ( -1.233 -0.752 5.347) 5.539 3.462 ( -5.488 6.285 3.141) 8.915 3.774 ( -16.400 -4.950 4.969) 17.836 4.168 ( -2.118 -3.745 0.802) 4.376 5.285 ( 18.840 -4.130 -2.897) 19.503 5.613 ( 9.089 5.078 6.011) 12.021 5.869 ( 5.497 14.703 4.197) 16.248 6.736 ( 2.978 6.362 3.563) 7.877 6.955 ( 1.925 1.069 -1.179) 2.498 7.211 ( -8.082 -1.927 -2.751) 8.752 7.524 ( -2.937 0.965 -1.950) 3.655 8.021 ( 1.257 -0.730 -5.140) 5.342 8.297 ( 0.064 4.013 12.473) 13.103 8.819 ( 5.286 10.356 2.227) 11.838 9.206 ( -13.567 3.104 1.095) 13.960 9.459 ( -1.425 -13.682 5.323) 14.750 10.527 ( 6.182 -6.365 3.082) 9.393 10.783 ( 1.291 -2.513 13.145) 13.445 11.284 ( -10.562 -12.972 -0.780) 16.747 12.159 ( 1.378 2.760 -2.791) 4.161 12.666 ( 0.418 10.510 -0.993) 10.565 12.976 ( -6.111 8.137 6.467) 12.057 14.412 ( 0.704 -7.648 -0.137) 7.681 14.486 ( -2.257 -5.572 2.002) 6.337 15.056 ( 5.475 -1.423 -6.515) 8.628 15.655 ( 2.666 3.626 -7.945) 9.131 16.601 ( 23.242 -5.708 6.360) 24.763 17.737 ( -27.686 -18.963 1.929) 33.613 19.117 ( 10.272 -5.448 -10.787) 15.860 19.676 ( -11.187 -8.032 -6.020) 15.030 20.773 ( 2.533 6.446 3.595) 7.803 22.406 ( 4.278 -9.001 -7.684) 12.585 23.063 ( -6.738 28.635 13.499) 32.367 25.368 ( -0.460 -6.186 -2.571) 6.715 ======================= Grid point 148 (54/180) ======================= q-point: (-0.50 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 0.000 -3.627 6.649) 7.574 2.743 ( 0.000 13.145 3.154) 13.518 2.999 ( 0.000 -6.141 9.284) 11.131 3.459 ( 0.000 -0.742 -0.756) 1.059 3.519 ( -0.000 1.117 11.096) 11.152 4.145 ( 0.000 -2.999 -0.200) 3.006 5.511 ( 0.000 -8.012 -4.920) 9.402 5.676 ( 0.000 1.624 4.951) 5.211 5.948 ( 0.000 19.207 3.820) 19.583 6.788 ( -0.000 9.553 2.452) 9.863 7.023 ( 0.000 -9.056 -0.208) 9.059 7.027 ( -0.000 5.474 -1.977) 5.820 7.512 ( 0.000 2.807 -0.728) 2.900 8.032 ( 0.000 1.411 -4.952) 5.149 8.298 ( 0.000 1.861 11.950) 12.094 8.960 ( -0.000 7.404 4.072) 8.449 8.974 ( 0.000 8.582 -0.388) 8.590 9.446 ( 0.000 -13.864 4.248) 14.500 10.582 ( 0.000 -4.467 6.786) 8.125 10.819 ( 0.000 -1.280 10.020) 10.101 11.161 ( 0.000 -16.710 -0.760) 16.727 12.173 ( 0.000 3.685 -4.097) 5.510 12.680 ( 0.000 14.954 -1.917) 15.076 12.903 ( 0.000 4.738 7.696) 9.038 14.394 ( 0.000 -8.536 0.173) 8.538 14.480 ( 0.000 -7.071 3.135) 7.735 15.106 ( 0.000 1.354 -5.944) 6.096 15.690 ( 0.000 7.411 -8.381) 11.187 17.144 ( 0.000 -20.522 5.541) 21.257 17.157 ( -0.000 -10.967 3.103) 11.397 19.272 ( 0.000 -8.943 -12.699) 15.532 19.509 ( -0.000 -2.807 -5.368) 6.058 20.802 ( 0.000 4.676 4.881) 6.759 22.451 ( 0.000 -11.204 -7.855) 13.683 22.994 ( 0.000 30.098 13.736) 33.084 25.363 ( 0.000 -6.454 -2.438) 6.899 ======================= Grid point 154 (55/180) ======================= q-point: ( 0.00 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 0.000 27.168 0.979) 27.186 1.982 ( 0.000 26.270 5.917) 26.928 3.430 ( 0.000 -0.730 -4.815) 4.870 3.540 ( 0.000 31.736 6.586) 32.412 3.786 ( 0.000 6.455 4.152) 7.675 4.720 ( 0.000 15.144 -3.525) 15.548 5.038 ( 0.000 -6.689 2.218) 7.047 5.434 ( 0.000 3.821 10.563) 11.233 5.620 ( 0.000 1.265 5.211) 5.362 6.485 ( 0.000 -4.310 -2.008) 4.755 6.795 ( 0.000 -4.092 6.193) 7.423 6.880 ( 0.000 -0.708 1.776) 1.912 7.832 ( 0.000 0.960 -3.672) 3.796 8.000 ( 0.000 7.670 -10.666) 13.137 8.455 ( 0.000 -23.985 -0.960) 24.005 8.756 ( 0.000 -2.728 -12.439) 12.735 8.970 ( 0.000 -11.643 8.622) 14.488 9.794 ( 0.000 -4.075 4.061) 5.753 10.088 ( 0.000 0.877 33.446) 33.458 10.375 ( 0.000 -4.245 11.687) 12.434 11.723 ( 0.000 -13.219 9.998) 16.574 11.795 ( 0.000 -10.867 -0.516) 10.879 13.037 ( 0.000 12.181 -5.876) 13.524 13.302 ( 0.000 1.483 -4.216) 4.469 14.186 ( 0.000 19.232 4.579) 19.770 14.223 ( 0.000 2.659 -5.383) 6.004 14.937 ( 0.000 3.918 -8.546) 9.401 15.537 ( 0.000 -25.601 -11.139) 27.919 17.199 ( 0.000 12.273 -0.337) 12.278 18.021 ( 0.000 -0.636 -13.225) 13.240 19.047 ( 0.000 -10.577 4.589) 11.530 19.106 ( 0.000 -12.127 15.118) 19.381 21.532 ( 0.000 2.226 -6.961) 7.308 21.552 ( 0.000 0.894 -16.370) 16.395 24.535 ( 0.000 8.977 -0.081) 8.978 25.314 ( 0.000 -5.915 -2.760) 6.527 ======================= Grid point 155 (56/180) ======================= q-point: ( 0.10 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 6.922 26.334 1.652) 27.278 2.060 ( 6.674 24.617 3.960) 25.811 3.548 ( 11.739 6.823 -3.048) 13.916 3.613 ( 2.645 6.855 -0.261) 7.353 3.818 ( 4.311 15.551 5.154) 16.941 4.513 ( -14.907 9.714 0.507) 17.799 5.050 ( -4.395 1.460 -0.284) 4.640 5.350 ( -3.831 -0.206 11.073) 11.719 5.671 ( 3.624 4.738 7.621) 9.678 6.479 ( 2.444 -3.372 -0.591) 4.207 6.847 ( -0.735 -0.396 2.077) 2.239 7.003 ( 14.073 -5.362 1.245) 15.111 7.739 ( -6.137 6.107 -5.844) 10.446 8.106 ( 5.726 2.047 -5.262) 8.042 8.324 ( -7.408 -12.317 -2.605) 14.608 8.865 ( 6.215 -8.954 -10.227) 14.947 8.950 ( -0.935 -10.669 11.884) 15.998 9.767 ( -0.775 -1.286 8.897) 9.023 10.020 ( -4.338 -4.437 16.119) 17.272 10.580 ( 13.557 -4.021 17.113) 22.199 11.712 ( -0.964 -11.750 4.607) 12.658 11.831 ( 3.415 -9.748 4.629) 11.318 12.822 ( -12.694 6.431 -3.737) 14.713 13.476 ( 8.833 5.220 -4.535) 11.218 14.018 ( -7.537 7.628 0.400) 10.731 14.412 ( 10.561 11.485 -2.426) 15.790 14.840 ( -8.163 -0.982 -7.906) 11.406 15.608 ( 5.254 -19.900 -9.506) 22.671 16.890 ( -22.616 16.459 -1.640) 28.019 18.221 ( 12.715 -3.824 -8.756) 15.905 18.811 ( -13.512 -12.998 2.518) 18.918 19.306 ( 10.205 -13.117 13.256) 21.258 21.305 ( -10.883 7.131 -12.265) 17.880 21.784 ( 11.324 -3.028 -10.263) 15.580 24.390 ( -13.054 13.567 2.014) 18.935 25.306 ( -0.767 -6.123 -2.714) 6.741 ======================= Grid point 156 (57/180) ======================= q-point: ( 0.20 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 5.503 20.401 1.448) 21.180 2.267 ( 14.283 21.986 2.846) 26.372 3.500 ( -12.801 -2.759 -2.688) 13.368 3.826 ( 9.123 8.524 -3.032) 12.848 3.943 ( 6.384 9.017 -1.143) 11.107 4.262 ( -7.814 2.856 4.701) 9.556 4.878 ( -8.008 5.736 3.942) 10.610 5.339 ( 2.838 0.096 9.757) 10.162 5.781 ( 7.614 9.440 8.225) 14.654 6.592 ( 7.219 -3.407 -3.307) 8.640 6.828 ( -0.358 0.831 3.664) 3.774 7.294 ( 12.595 -6.638 -3.854) 14.750 7.621 ( -5.233 9.588 -3.319) 11.416 8.068 ( -6.282 -8.836 -4.262) 11.649 8.334 ( 4.895 6.605 4.391) 9.320 8.885 ( -0.330 -3.125 -0.082) 3.143 9.022 ( 4.778 -14.011 4.536) 15.483 9.728 ( -5.996 -1.884 10.697) 12.407 9.999 ( 4.812 -5.837 5.927) 9.611 10.751 ( 2.460 -5.158 12.948) 14.153 11.646 ( -7.335 -6.146 1.620) 9.705 11.932 ( 6.265 -7.795 5.073) 11.214 12.666 ( -1.519 0.831 -0.020) 1.732 13.534 ( -3.642 11.884 -0.175) 12.431 13.961 ( 3.056 -6.618 -2.610) 7.743 14.636 ( 8.057 9.037 -3.714) 12.664 14.658 ( -5.796 -3.543 -5.401) 8.679 15.673 ( -0.132 -10.572 -7.175) 12.778 16.507 ( -12.040 17.582 -0.730) 21.322 18.280 ( -12.216 -13.520 0.907) 18.244 18.656 ( 3.227 -8.771 -6.956) 11.650 19.480 ( 6.415 -16.518 9.626) 20.166 21.111 ( -8.086 11.757 -10.654) 17.808 21.986 ( 8.357 -6.786 -8.775) 13.888 24.083 ( -15.547 21.429 5.506) 27.041 25.284 ( -1.330 -6.578 -2.529) 7.172 ======================= Grid point 157 (58/180) ======================= q-point: ( 0.30 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 3.770 9.033 2.840) 10.191 2.582 ( 14.972 19.033 2.432) 24.338 3.183 ( -15.345 -0.906 -1.698) 15.465 3.789 ( -10.976 8.005 3.660) 14.070 3.905 ( -9.381 -6.788 -0.538) 11.592 4.257 ( 2.918 7.469 -1.769) 8.212 4.887 ( 9.825 -0.358 3.067) 10.299 5.471 ( 9.017 0.181 6.204) 10.946 5.970 ( 10.641 13.682 6.575) 18.538 6.710 ( 3.918 -1.430 -3.384) 5.371 6.863 ( 3.947 0.080 3.398) 5.209 7.401 ( -4.011 -1.483 -5.438) 6.918 7.583 ( 2.903 6.384 -1.131) 7.104 7.980 ( -1.827 -2.022 -2.461) 3.672 8.399 ( 1.381 6.121 10.307) 12.067 8.922 ( 3.611 2.981 -0.605) 4.722 9.086 ( 1.576 -14.784 4.551) 15.549 9.539 ( -11.062 0.709 9.166) 14.384 10.180 ( 11.017 -7.907 3.514) 14.008 10.733 ( -2.301 -5.305 9.426) 11.058 11.403 ( -15.339 -3.598 0.573) 15.766 12.059 ( 5.694 -5.276 0.970) 7.823 12.720 ( 4.930 2.175 2.290) 5.855 13.389 ( -9.073 14.379 2.788) 17.229 14.090 ( 6.998 -17.490 -2.962) 19.070 14.467 ( -7.980 -7.344 -0.084) 10.845 14.885 ( 12.049 8.632 -5.484) 15.804 15.628 ( -1.886 -1.880 -6.597) 7.114 16.431 ( 2.950 10.544 1.383) 11.036 17.882 ( -23.660 -18.504 1.700) 30.084 18.805 ( 8.694 -6.566 -6.532) 12.703 19.544 ( -0.256 -16.184 2.550) 16.386 20.986 ( -4.156 12.389 -5.792) 14.294 22.117 ( 4.662 -10.350 -7.846) 13.799 23.809 ( -10.937 26.785 7.366) 29.854 25.256 ( -1.382 -7.107 -2.248) 7.581 ======================= Grid point 158 (59/180) ======================= q-point: ( 0.40 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 0.608 0.251 4.908) 4.952 2.795 ( 4.899 7.797 3.947) 10.018 3.010 ( -0.263 3.712 0.012) 3.721 3.507 ( -12.920 -0.663 0.110) 12.937 3.696 ( -10.389 -1.370 8.644) 13.584 4.284 ( 0.477 13.371 -2.697) 13.648 5.151 ( 12.689 -9.680 -3.280) 16.293 5.630 ( 5.413 -2.312 1.413) 6.054 6.178 ( 8.751 14.931 4.709) 17.936 6.782 ( 3.762 0.295 -0.050) 3.774 6.938 ( 2.181 -0.401 0.303) 2.238 7.260 ( -7.352 4.543 -1.151) 8.719 7.646 ( 2.674 9.295 -1.698) 9.820 7.970 ( -0.299 -3.155 -1.523) 3.517 8.407 ( -0.145 6.120 11.712) 13.216 9.003 ( 3.686 0.464 -0.053) 3.716 9.098 ( 0.131 -9.858 4.374) 10.785 9.329 ( -8.782 4.925 8.606) 13.245 10.384 ( 8.068 -8.892 3.055) 12.389 10.721 ( 2.067 -5.822 7.452) 9.680 11.086 ( -14.884 -4.444 1.117) 15.574 12.145 ( 2.629 -4.123 -3.339) 5.921 12.835 ( 6.487 7.482 2.213) 10.147 13.198 ( -9.503 13.007 3.122) 16.408 14.155 ( -0.494 -18.052 -0.649) 18.071 14.367 ( -2.079 -6.173 3.894) 7.589 15.106 ( 8.662 5.763 -5.549) 11.791 15.657 ( 4.261 -2.718 -8.839) 10.182 16.575 ( 11.028 2.484 3.976) 11.983 17.380 ( -25.113 -16.816 2.885) 30.360 18.978 ( 7.954 -7.710 -6.243) 12.716 19.480 ( -5.226 -11.606 -3.429) 13.182 20.939 ( -0.893 9.661 -0.661) 9.725 22.180 ( 1.725 -13.339 -7.393) 15.348 23.648 ( -5.105 29.524 7.684) 30.931 25.232 ( -0.869 -7.532 -2.000) 7.841 ======================= Grid point 159 (60/180) ======================= q-point: (-0.50 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 0.000 -1.139 6.200) 6.304 2.850 ( 0.000 -9.333 8.571) 12.671 3.022 ( 0.000 14.121 -4.946) 14.962 3.377 ( 0.000 -4.761 -0.195) 4.765 3.563 ( -0.000 4.453 12.565) 13.330 4.289 ( -0.000 14.720 -3.403) 15.109 5.296 ( 0.000 -13.848 -5.400) 14.864 5.680 ( -0.000 -2.014 -0.624) 2.108 6.275 ( 0.000 13.988 3.807) 14.497 6.839 ( -0.000 -1.886 -0.131) 1.891 6.945 ( 0.000 1.733 0.345) 1.767 7.175 ( 0.000 7.943 0.467) 7.957 7.680 ( 0.000 13.093 -0.885) 13.123 7.959 ( 0.000 -6.820 -1.370) 6.957 8.404 ( 0.000 6.830 11.881) 13.704 9.043 ( 0.000 -14.865 -0.121) 14.866 9.108 ( 0.000 7.811 4.212) 8.874 9.224 ( 0.000 5.007 8.946) 10.252 10.471 ( 0.000 -8.221 4.165) 9.216 10.825 ( -0.000 -17.510 0.750) 17.526 10.846 ( 0.000 5.550 6.548) 8.583 12.169 ( 0.000 -4.173 -5.256) 6.711 12.954 ( -0.000 12.442 0.446) 12.450 13.047 ( 0.000 9.799 4.566) 10.811 14.139 ( 0.000 -15.892 1.261) 15.942 14.349 ( 0.000 -6.812 4.628) 8.235 15.196 ( 0.000 6.666 -5.222) 8.468 15.721 ( 0.000 -4.619 -10.772) 11.721 16.845 ( 0.000 -8.729 5.788) 10.473 16.955 ( -0.000 -9.009 3.385) 9.624 19.079 ( 0.000 -9.563 -6.333) 11.470 19.402 ( 0.000 -7.978 -5.506) 9.693 20.933 ( 0.000 8.104 1.294) 8.207 22.196 ( 0.000 -14.560 -7.272) 16.275 23.597 ( 0.000 30.371 7.613) 31.310 25.223 ( 0.000 -7.694 -1.901) 7.925 ======================= Grid point 165 (61/180) ======================= q-point: ( 0.00 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 0.000 22.941 -1.516) 22.991 2.448 ( 0.000 20.794 3.120) 21.027 3.376 ( 0.000 -4.763 -4.646) 6.654 3.554 ( 0.000 -8.606 2.170) 8.875 4.371 ( 0.000 29.825 -0.424) 29.828 4.931 ( 0.000 -4.030 4.666) 6.165 5.039 ( 0.000 16.619 -1.036) 16.652 5.544 ( 0.000 8.782 8.461) 12.195 5.622 ( 0.000 -1.619 1.619) 2.289 6.374 ( 0.000 -7.601 -2.365) 7.961 6.757 ( 0.000 0.539 6.509) 6.531 6.880 ( 0.000 0.473 1.966) 2.022 7.840 ( 0.000 -0.876 -1.960) 2.147 7.962 ( 0.000 -9.163 -7.908) 12.104 8.043 ( 0.000 -15.710 1.294) 15.764 8.517 ( 0.000 -16.646 10.938) 19.918 9.038 ( 0.000 12.221 -12.505) 17.485 9.680 ( 0.000 -7.489 1.297) 7.601 10.172 ( 0.000 6.685 25.611) 26.469 10.336 ( 0.000 0.146 16.043) 16.044 11.486 ( 0.000 -10.421 10.942) 15.110 11.573 ( 0.000 -11.305 2.676) 11.618 13.272 ( 0.000 11.265 -7.595) 13.586 13.377 ( 0.000 5.708 -4.500) 7.268 14.247 ( 0.000 0.449 -7.147) 7.161 14.525 ( 0.000 14.643 1.814) 14.755 14.984 ( 0.000 0.493 -7.683) 7.699 15.029 ( 0.000 -25.017 -11.064) 27.354 17.469 ( 0.000 14.937 -0.195) 14.938 18.005 ( 0.000 -0.819 -7.573) 7.617 18.838 ( 0.000 -10.306 5.719) 11.786 18.858 ( 0.000 -12.674 14.068) 18.935 21.567 ( 0.000 1.336 -8.781) 8.882 21.569 ( 0.000 0.848 -14.702) 14.726 24.703 ( 0.000 8.407 -0.243) 8.410 25.183 ( 0.000 -7.352 -2.222) 7.681 ======================= Grid point 166 (62/180) ======================= q-point: ( 0.10 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 5.546 23.032 -0.687) 23.700 2.502 ( 4.787 19.868 0.457) 20.442 3.484 ( 9.315 -6.312 -5.715) 12.621 3.536 ( -1.703 -8.284 1.113) 8.530 4.359 ( -1.380 24.821 -0.581) 24.867 4.664 ( -17.059 5.248 1.825) 17.941 5.145 ( -0.008 7.671 2.451) 8.053 5.351 ( -8.583 0.766 8.517) 12.116 5.794 ( 9.652 8.033 5.144) 13.570 6.406 ( 4.001 -4.929 -1.252) 6.470 6.806 ( 2.370 -3.088 -2.049) 4.399 6.966 ( 9.316 1.447 5.879) 11.111 7.800 ( -2.698 0.704 -2.369) 3.659 7.936 ( -2.112 -11.830 -3.809) 12.606 8.153 ( 9.088 -10.148 -0.548) 13.634 8.540 ( 1.843 -15.996 11.011) 19.506 9.050 ( 1.461 11.944 -10.083) 15.699 9.709 ( 2.687 -5.606 2.001) 6.531 10.009 ( -9.139 3.724 17.566) 20.148 10.519 ( 9.575 -2.744 18.999) 21.451 11.504 ( 2.675 -8.530 7.071) 11.398 11.641 ( 5.863 -9.435 6.671) 12.958 12.987 ( -16.161 10.368 -5.542) 19.984 13.554 ( 6.314 1.030 -5.984) 8.759 14.102 ( -10.487 3.190 -4.018) 11.675 14.664 ( 9.636 11.334 -1.501) 14.952 14.737 ( -11.261 -8.211 -6.998) 15.595 15.288 ( 12.859 -11.945 -9.802) 20.103 17.220 ( -18.750 17.091 -1.682) 25.426 18.141 ( 6.088 -4.777 -1.542) 7.890 18.571 ( -12.496 -10.355 1.940) 16.344 19.048 ( 7.612 -12.770 11.850) 19.011 21.430 ( -6.133 5.570 -12.590) 15.071 21.722 ( 7.280 -3.233 -9.627) 12.495 24.627 ( -6.989 11.064 0.477) 13.095 25.172 ( -1.108 -7.563 -2.153) 7.941 ======================= Grid point 167 (63/180) ======================= q-point: ( 0.20 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -1.955 19.356 -0.490) 19.460 2.675 ( 12.210 18.622 -2.118) 22.368 3.408 ( -9.891 -5.503 -0.151) 11.320 3.725 ( 9.975 -9.134 -7.547) 15.488 4.255 ( -15.064 9.568 -0.496) 17.853 4.381 ( -2.940 11.171 1.161) 11.609 4.990 ( -10.002 5.453 5.659) 12.720 5.317 ( 2.646 -2.015 8.537) 9.162 6.007 ( 11.489 12.925 6.343) 18.419 6.531 ( 7.464 -3.243 -3.096) 8.707 6.849 ( 2.683 1.304 0.269) 2.995 7.195 ( 11.357 -2.707 -0.419) 11.682 7.732 ( -3.932 1.915 2.473) 5.024 7.925 ( 1.414 -4.431 -5.085) 6.892 8.340 ( 8.119 -9.452 0.756) 12.483 8.577 ( 1.731 -13.988 11.147) 17.970 9.103 ( 3.653 11.381 -5.363) 13.101 9.745 ( -2.610 2.469 7.135) 7.989 9.890 ( 0.664 -4.344 8.359) 9.444 10.615 ( -0.049 -9.019 13.612) 16.328 11.558 ( -0.152 -2.404 4.156) 4.804 11.790 ( 8.215 -6.311 7.383) 12.721 12.744 ( -5.509 7.245 -1.933) 9.304 13.606 ( 0.328 -10.759 -6.500) 12.574 13.889 ( -10.185 6.436 -1.166) 12.104 14.508 ( -10.032 -8.423 -2.008) 13.252 14.898 ( 11.361 13.628 -4.849) 18.393 15.500 ( 7.533 -7.734 -8.783) 13.918 16.855 ( -15.249 18.014 -0.895) 23.618 17.977 ( -19.732 -16.900 3.706) 26.243 18.543 ( 7.294 -2.369 -4.303) 8.794 19.169 ( 4.546 -15.048 8.391) 17.819 21.316 ( -5.316 9.199 -11.153) 15.404 21.845 ( 4.580 -7.306 -7.668) 11.539 24.454 ( -9.203 16.683 1.862) 19.144 25.141 ( -1.807 -8.064 -1.979) 8.498 ======================= Grid point 168 (64/180) ======================= q-point: ( 0.30 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -6.131 12.036 -0.059) 13.508 2.890 ( 4.456 8.490 0.551) 9.604 3.182 ( -8.205 3.921 -1.979) 9.306 3.765 ( -8.603 -7.722 -1.134) 11.616 3.907 ( -13.381 5.890 -1.033) 14.657 4.476 ( 8.503 11.088 -3.279) 14.352 4.859 ( -1.867 -0.652 4.292) 4.726 5.408 ( 5.810 -6.326 3.369) 9.226 6.241 ( 11.030 12.918 6.050) 18.031 6.672 ( 5.922 -2.240 -3.502) 7.235 6.929 ( 5.137 6.581 3.513) 9.057 7.366 ( 4.342 -0.540 -4.789) 6.487 7.675 ( -0.515 1.503 6.609) 6.797 7.971 ( 2.233 1.147 -4.689) 5.318 8.451 ( 3.057 -4.962 2.860) 6.492 8.612 ( 1.544 -16.484 9.829) 19.254 9.184 ( 3.935 11.402 -0.880) 12.094 9.619 ( -7.172 7.847 9.229) 14.077 10.011 ( 8.393 -9.428 4.897) 13.539 10.563 ( -3.722 -12.015 8.207) 15.019 11.425 ( -11.996 5.531 0.840) 13.236 11.937 ( 5.729 -6.664 1.690) 8.949 12.785 ( 7.582 4.854 2.499) 9.342 13.615 ( -2.280 -5.053 -1.803) 5.829 13.715 ( -3.486 -4.872 -0.904) 6.058 14.330 ( -7.329 -7.495 2.297) 10.731 15.101 ( 8.274 12.101 -5.905) 15.804 15.585 ( 1.439 -2.949 -7.696) 8.366 16.656 ( -4.256 12.304 0.289) 13.023 17.528 ( -22.921 -17.436 2.288) 28.890 18.708 ( 8.129 -2.417 -2.815) 8.936 19.233 ( 1.743 -15.326 2.654) 15.651 21.213 ( -4.645 10.891 -7.558) 14.047 21.902 ( 1.193 -11.212 -6.626) 13.078 24.286 ( -6.986 21.587 2.747) 22.855 25.104 ( -1.791 -8.558 -1.781) 8.923 ======================= Grid point 169 (65/180) ======================= q-point: ( 0.40 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -4.074 5.045 3.166) 7.217 2.764 ( -10.104 -6.959 5.523) 13.455 3.184 ( 2.914 9.235 -4.702) 10.765 3.477 ( -13.518 -2.423 -1.268) 13.792 3.775 ( -2.771 10.485 5.844) 12.320 4.601 ( 3.041 16.894 -5.504) 18.026 4.914 ( 5.390 -13.566 -1.943) 14.727 5.524 ( 4.856 -8.581 -2.597) 10.196 6.427 ( 6.803 10.173 4.711) 13.114 6.760 ( 2.716 -1.993 -0.675) 3.436 7.040 ( 5.126 10.834 2.579) 12.260 7.366 ( -2.802 6.676 0.196) 7.243 7.729 ( 4.877 -3.169 3.994) 7.055 7.983 ( -1.435 5.187 -2.746) 6.042 8.491 ( 1.356 0.360 5.828) 5.994 8.626 ( -0.070 -20.692 6.010) 21.547 9.252 ( 2.656 11.131 3.190) 11.879 9.493 ( -4.824 11.231 8.523) 14.901 10.174 ( 6.839 -12.210 5.145) 14.911 10.502 ( -2.029 -15.030 4.853) 15.924 11.168 ( -11.142 11.038 -0.370) 15.688 12.006 ( 1.241 -9.895 -4.740) 11.042 12.978 ( 10.717 7.302 2.696) 13.246 13.446 ( -10.386 11.563 1.510) 15.616 13.784 ( 4.729 -17.691 2.112) 18.434 14.222 ( -3.396 -8.993 5.300) 10.977 15.241 ( 6.095 7.384 -6.090) 11.347 15.590 ( -0.627 -3.598 -8.201) 8.978 16.657 ( 3.541 5.140 1.570) 6.436 17.097 ( -18.768 -11.942 3.012) 22.448 18.858 ( 6.340 -3.631 -2.673) 7.780 19.237 ( -1.213 -12.764 -2.328) 13.031 21.138 ( -2.642 10.623 -3.487) 11.488 21.905 ( -0.537 -14.356 -6.398) 15.726 24.181 ( -3.372 24.358 2.942) 24.766 25.074 ( -1.082 -8.841 -1.637) 9.056 ======================= Grid point 170 (66/180) ======================= q-point: (-0.50 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 0.000 3.192 5.848) 6.662 2.646 ( 0.000 -10.964 6.045) 12.520 3.223 ( 0.000 5.519 -6.823) 8.776 3.316 ( -0.000 -1.767 0.518) 1.841 3.755 ( 0.000 15.825 8.650) 18.035 4.627 ( -0.000 17.814 -6.659) 19.018 4.981 ( 0.000 -17.366 -4.421) 17.920 5.578 ( -0.000 -8.626 -5.003) 9.972 6.499 ( 0.000 9.042 4.063) 9.913 6.785 ( 0.000 -3.017 0.553) 3.068 7.102 ( 0.000 14.115 1.053) 14.154 7.323 ( 0.000 7.397 3.577) 8.217 7.806 ( -0.000 -8.464 3.216) 9.055 7.943 ( 0.000 11.423 -1.856) 11.573 8.507 ( 0.000 2.678 7.541) 8.002 8.623 ( 0.000 -22.680 3.468) 22.943 9.282 ( 0.000 10.507 5.385) 11.806 9.441 ( 0.000 13.023 7.796) 15.178 10.252 ( 0.000 -13.490 5.514) 14.574 10.481 ( 0.000 -17.463 3.124) 17.740 11.045 ( 0.000 14.131 -0.088) 14.131 12.013 ( 0.000 -11.668 -7.439) 13.837 13.161 ( -0.000 8.906 1.769) 9.080 13.269 ( 0.000 12.118 2.426) 12.359 13.835 ( 0.000 -13.622 4.252) 14.271 14.187 ( 0.000 -10.294 6.341) 12.090 15.322 ( 0.000 5.465 -5.541) 7.782 15.573 ( 0.000 -8.026 -9.731) 12.614 16.772 ( 0.000 -0.615 3.217) 3.276 16.821 ( -0.000 -4.515 3.092) 5.472 18.933 ( 0.000 -4.734 -2.612) 5.406 19.214 ( 0.000 -10.611 -4.499) 11.525 21.111 ( 0.000 10.103 -1.662) 10.239 21.897 ( 0.000 -15.619 -6.441) 16.895 24.147 ( 0.000 25.198 2.920) 25.367 25.062 ( 0.000 -8.920 -1.586) 9.059 ======================= Grid point 176 (67/180) ======================= q-point: ( 0.00 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 0.000 14.475 -3.742) 14.951 2.751 ( 0.000 7.631 -1.197) 7.724 3.280 ( 0.000 -2.507 -1.138) 2.753 3.366 ( 0.000 -9.424 2.193) 9.676 4.762 ( 0.000 10.687 0.901) 10.725 4.872 ( 0.000 -2.811 4.499) 5.305 5.329 ( 0.000 12.664 -1.277) 12.729 5.533 ( 0.000 -7.745 -1.367) 7.865 5.821 ( 0.000 18.405 3.417) 18.719 6.162 ( 0.000 -14.557 -0.688) 14.574 6.812 ( 0.000 4.348 4.877) 6.534 6.878 ( 0.000 -1.471 2.147) 2.602 7.721 ( 0.000 -5.406 -0.504) 5.430 7.761 ( 0.000 -8.526 -4.951) 9.859 7.997 ( 0.000 7.180 4.611) 8.533 8.211 ( 0.000 -13.908 10.054) 17.161 9.291 ( 0.000 12.394 -9.000) 15.317 9.509 ( 0.000 -9.934 -3.655) 10.585 10.301 ( 0.000 5.300 20.415) 21.092 10.350 ( 0.000 0.110 18.691) 18.692 11.345 ( 0.000 -3.043 10.754) 11.176 11.385 ( 0.000 -6.794 6.970) 9.733 13.451 ( 0.000 6.167 -7.311) 9.565 13.481 ( 0.000 3.193 -5.863) 6.676 14.294 ( 0.000 6.350 -8.791) 10.845 14.537 ( 0.000 -16.989 -9.167) 19.304 14.815 ( 0.000 7.877 -2.740) 8.340 14.947 ( 0.000 -4.449 -5.237) 6.871 17.759 ( 0.000 13.715 -1.622) 13.811 17.957 ( 0.000 -5.639 -5.014) 7.546 18.661 ( 0.000 -5.580 12.663) 13.838 18.671 ( 0.000 -5.765 8.515) 10.283 21.582 ( 0.000 0.448 -12.854) 12.861 21.584 ( 0.000 0.357 -10.807) 10.813 24.867 ( 0.000 8.405 -1.118) 8.479 25.030 ( 0.000 -8.166 -1.777) 8.357 ======================= Grid point 177 (68/180) ======================= q-point: ( 0.10 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 5.019 14.309 -3.300) 15.519 2.800 ( 4.205 8.494 -2.640) 9.839 3.342 ( 5.101 -6.424 -2.158) 8.481 3.371 ( 1.263 -6.823 0.616) 6.967 4.674 ( -8.956 7.403 0.810) 11.648 4.730 ( -11.678 1.735 2.020) 11.978 5.265 ( -6.800 3.348 1.022) 7.648 5.391 ( -8.374 2.104 4.568) 9.769 6.001 ( 12.669 12.973 1.974) 18.240 6.254 ( 8.181 -10.881 -0.693) 13.631 6.770 ( 0.520 -0.497 -3.043) 3.127 7.014 ( 8.794 2.222 7.252) 11.613 7.728 ( 0.726 -3.138 -0.001) 3.221 7.788 ( 2.597 -7.154 -4.660) 8.925 8.035 ( 3.537 1.818 3.095) 5.039 8.276 ( 5.651 -10.394 11.674) 16.621 9.293 ( 0.665 10.827 -7.457) 13.163 9.566 ( 5.145 -7.871 -3.427) 10.009 10.117 ( -9.990 5.065 13.748) 17.732 10.457 ( 2.279 -3.051 21.362) 21.699 11.411 ( 6.504 -0.622 9.390) 11.439 11.479 ( 8.541 -6.367 9.039) 13.972 13.221 ( -14.949 13.097 -7.184) 21.133 13.463 ( -6.900 -9.934 -7.396) 14.177 14.226 ( -5.348 9.936 -4.926) 12.313 14.469 ( -6.254 -14.077 -4.840) 16.146 14.914 ( 10.200 10.341 -5.488) 15.527 15.109 ( 11.960 -7.713 -7.371) 16.027 17.530 ( -15.832 12.544 -4.495) 20.694 18.003 ( -6.720 -8.265 6.567) 12.514 18.456 ( -3.326 -1.561 -1.983) 4.175 18.842 ( 5.708 -6.727 12.804) 15.549 21.517 ( -2.666 2.996 -13.483) 14.067 21.665 ( 3.736 -2.226 -8.627) 9.661 24.830 ( -3.479 9.756 -0.899) 10.397 25.012 ( -1.739 -8.707 -1.648) 9.031 ======================= Grid point 178 (69/180) ======================= q-point: ( 0.20 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -6.273 11.727 -4.256) 13.964 2.930 ( 5.357 5.004 -1.203) 7.428 3.351 ( -0.423 2.675 -0.966) 2.875 3.519 ( 8.445 -11.255 -5.712) 15.186 4.359 ( -19.267 2.816 -2.442) 19.624 4.559 ( -4.750 4.339 2.860) 7.041 5.103 ( -7.780 6.109 3.303) 10.428 5.256 ( -4.593 -4.275 6.357) 8.932 6.252 ( 11.346 10.977 3.238) 16.115 6.445 ( 9.770 -5.937 -0.234) 11.435 6.866 ( 8.538 0.248 -5.606) 10.217 7.194 ( 8.798 1.524 6.771) 11.206 7.738 ( -0.111 1.564 2.185) 2.689 7.860 ( 3.997 -6.135 -4.349) 8.516 8.127 ( 5.238 -4.540 1.172) 7.031 8.400 ( 5.670 -5.902 12.827) 15.215 9.329 ( 2.948 9.197 -4.796) 10.783 9.694 ( 6.933 -5.659 0.333) 8.956 9.938 ( -7.423 6.180 7.686) 12.344 10.425 ( -4.633 -8.230 17.444) 19.837 11.546 ( 5.287 0.448 6.178) 8.143 11.696 ( 10.502 -2.868 9.913) 14.724 12.954 ( -9.020 14.040 -5.307) 17.512 13.283 ( -7.945 -18.174 -7.373) 21.161 14.091 ( -8.090 11.134 -1.228) 13.818 14.324 ( -7.680 -10.065 0.024) 12.660 15.148 ( 11.255 11.498 -6.936) 17.521 15.345 ( 10.330 -8.640 -8.635) 15.998 17.199 ( -16.084 15.809 -2.123) 22.653 17.646 ( -23.001 -15.523 5.716) 28.332 18.554 ( 8.600 2.335 -4.049) 9.788 18.921 ( 2.715 -8.637 9.459) 13.093 21.467 ( -2.571 5.612 -12.773) 14.186 21.715 ( 0.885 -5.166 -5.699) 7.743 24.742 ( -4.843 12.821 -0.429) 13.712 24.966 ( -2.649 -9.968 -1.393) 10.407 ======================= Grid point 179 (70/180) ======================= q-point: ( 0.30 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -11.884 8.185 -4.756) 15.194 2.882 ( -9.997 -4.346 5.613) 12.261 3.367 ( 0.182 10.944 -3.464) 11.481 3.600 ( -3.095 -8.859 -1.737) 9.544 4.028 ( -8.812 4.939 -8.670) 13.313 4.552 ( 2.973 -1.783 4.614) 5.772 4.977 ( -3.801 11.923 0.589) 12.528 5.231 ( 1.972 -11.325 0.577) 11.510 6.442 ( 7.572 6.707 3.119) 10.586 6.626 ( 7.544 -2.281 1.593) 8.041 7.077 ( 11.342 6.319 -1.534) 13.073 7.368 ( 8.447 -0.217 3.818) 9.273 7.714 ( -2.463 5.655 4.689) 7.748 7.923 ( 1.789 -10.018 -3.314) 10.703 8.240 ( 5.750 -4.522 0.470) 7.330 8.481 ( 2.139 -3.373 10.773) 11.490 9.406 ( 4.297 9.485 -1.259) 10.489 9.775 ( -2.671 -0.980 9.251) 9.678 9.869 ( 3.924 3.012 1.102) 5.068 10.306 ( -6.336 -11.774 12.289) 18.160 11.569 ( -3.738 7.096 -0.321) 8.027 11.810 ( 0.449 -5.769 2.848) 6.450 12.925 ( 5.660 9.425 -0.897) 11.031 13.248 ( 5.821 -17.236 -0.686) 18.205 13.904 ( -10.059 9.995 -0.255) 14.183 14.167 ( -7.584 -8.333 4.154) 12.008 15.322 ( 5.393 9.713 -7.680) 13.506 15.499 ( 4.453 -5.839 -7.411) 10.433 16.912 ( -11.455 13.876 0.646) 18.004 17.204 ( -19.010 -15.589 1.888) 24.657 18.725 ( 7.700 3.463 -2.053) 8.689 18.970 ( 2.276 -10.192 3.857) 11.132 21.409 ( -3.047 8.374 -9.900) 13.320 21.697 ( -2.473 -8.778 -4.359) 10.108 24.650 ( -3.911 15.736 -0.066) 16.215 24.913 ( -2.388 -11.185 -1.216) 11.502 ======================= Grid point 180 (71/180) ======================= q-point: ( 0.40 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -6.899 5.730 -0.351) 8.975 2.615 ( -13.916 -6.548 7.663) 17.183 3.314 ( -3.927 4.545 -2.438) 6.483 3.416 ( -10.260 -3.405 -0.823) 10.841 4.052 ( 6.320 14.129 -5.131) 16.306 4.583 ( -0.983 -13.345 1.686) 13.487 4.980 ( 3.176 16.338 -5.752) 17.610 5.301 ( 3.861 -13.617 -4.781) 14.939 6.569 ( 5.232 4.153 2.896) 7.280 6.724 ( 1.824 -1.386 3.154) 3.898 7.295 ( 9.895 12.022 2.510) 15.771 7.518 ( 4.984 4.377 1.346) 6.768 7.644 ( -3.536 2.416 6.844) 8.073 7.932 ( -0.600 -15.648 -0.941) 15.688 8.341 ( 3.788 -0.477 0.995) 3.946 8.494 ( -0.305 -3.040 6.338) 7.036 9.487 ( 3.294 11.788 3.259) 12.666 9.700 ( -3.217 4.880 6.513) 8.751 9.967 ( 4.001 -4.091 6.744) 8.844 10.196 ( -4.033 -14.465 8.033) 17.030 11.443 ( -6.513 15.498 -4.481) 17.398 11.765 ( -3.311 -14.165 -5.373) 15.507 13.117 ( 11.852 6.143 -0.041) 13.349 13.444 ( 8.607 -9.578 6.707) 14.519 13.713 ( -6.875 8.930 0.651) 11.288 14.028 ( -6.127 -9.478 7.059) 13.312 15.377 ( 1.121 5.906 -7.822) 9.865 15.515 ( -2.526 -4.013 -6.577) 8.108 16.763 ( -3.173 5.476 0.808) 6.380 16.909 ( -10.259 -7.390 2.390) 12.867 18.854 ( 4.913 3.200 -1.634) 6.087 19.008 ( 1.260 -9.642 -0.832) 9.760 21.354 ( -2.151 11.076 -5.951) 12.756 21.634 ( -3.110 -12.659 -4.716) 13.862 24.590 ( -1.974 17.482 0.057) 17.593 24.875 ( -1.326 -11.893 -1.176) 12.024 ======================= Grid point 181 (72/180) ======================= q-point: (-0.50 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 0.000 7.452 5.297) 9.143 2.437 ( 0.000 -10.077 5.046) 11.269 3.276 ( 0.000 1.128 -2.783) 3.003 3.293 ( -0.000 -0.849 -0.444) 0.958 4.135 ( 0.000 21.540 0.605) 21.549 4.558 ( 0.000 -20.732 -4.430) 21.200 5.025 ( 0.000 17.561 -6.428) 18.700 5.347 ( -0.000 -14.578 -7.124) 16.225 6.638 ( 0.000 5.475 3.923) 6.736 6.723 ( 0.000 -3.508 2.643) 4.392 7.470 ( 0.000 22.106 1.625) 22.165 7.472 ( -0.000 7.913 4.989) 9.354 7.639 ( 0.000 -8.016 5.232) 9.572 7.919 ( 0.000 -18.411 1.115) 18.445 8.380 ( 0.000 2.739 1.769) 3.260 8.488 ( 0.000 -4.466 3.319) 5.564 9.523 ( 0.000 13.382 5.956) 14.648 9.664 ( 0.000 5.516 5.726) 7.950 10.010 ( 0.000 -6.430 8.231) 10.445 10.154 ( 0.000 -15.211 6.289) 16.460 11.369 ( 0.000 18.231 -5.600) 19.071 11.725 ( 0.000 -17.204 -8.211) 19.063 13.316 ( -0.000 7.249 1.938) 7.504 13.425 ( 0.000 -0.795 -0.000) 0.795 13.713 ( -0.000 5.540 8.583) 10.216 13.945 ( 0.000 -13.805 7.389) 15.658 15.401 ( 0.000 2.840 -6.552) 7.142 15.458 ( -0.000 -3.770 -8.021) 8.863 16.771 ( 0.000 -0.007 1.812) 1.812 16.774 ( -0.000 -0.763 2.238) 2.364 18.909 ( 0.000 2.355 -1.625) 2.861 19.019 ( 0.000 -8.474 -2.749) 8.909 21.331 ( 0.000 12.461 -3.824) 13.035 21.598 ( 0.000 -14.668 -5.354) 15.615 24.570 ( 0.000 18.022 0.066) 18.022 24.861 ( 0.000 -12.100 -1.183) 12.158 ======================= Grid point 242 (73/180) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.000 0.000 25.583) 25.583 1.140 ( 0.000 0.000 25.802) 25.802 2.286 ( 0.000 0.000 52.225) 52.225 3.264 ( 0.000 0.000 -5.428) 5.428 3.923 ( 0.000 0.000 -15.546) 15.546 4.226 ( 0.000 0.000 18.434) 18.434 5.201 ( 0.000 0.000 -12.025) 12.025 5.463 ( 0.000 0.000 10.904) 10.904 5.726 ( 0.000 0.000 9.135) 9.135 6.455 ( 0.000 0.000 9.265) 9.265 6.691 ( 0.000 0.000 -16.039) 16.039 6.930 ( 0.000 0.000 17.366) 17.366 7.270 ( 0.000 0.000 8.971) 8.971 7.687 ( 0.000 0.000 -3.854) 3.854 9.053 ( 0.000 0.000 4.699) 4.699 9.587 ( 0.000 0.000 -7.689) 7.689 9.617 ( 0.000 0.000 -4.307) 4.307 9.690 ( 0.000 0.000 -3.403) 3.403 10.732 ( 0.000 0.000 11.491) 11.491 10.998 ( 0.000 0.000 4.488) 4.488 12.114 ( 0.000 0.000 -5.990) 5.990 12.853 ( 0.000 0.000 15.507) 15.507 13.052 ( 0.000 0.000 10.627) 10.627 13.170 ( 0.000 0.000 -24.392) 24.392 13.364 ( 0.000 0.000 4.273) 4.273 14.326 ( 0.000 0.000 -4.036) 4.036 15.384 ( 0.000 0.000 6.571) 6.571 15.838 ( 0.000 0.000 2.576) 2.576 16.261 ( 0.000 0.000 -8.649) 8.649 16.701 ( 0.000 0.000 -10.175) 10.175 19.558 ( 0.000 0.000 8.785) 8.785 20.273 ( 0.000 0.000 6.948) 6.948 20.826 ( 0.000 0.000 -12.232) 12.232 21.293 ( 0.000 0.000 -8.004) 8.004 23.766 ( 0.000 0.000 15.937) 15.937 25.352 ( 0.000 0.000 -9.197) 9.197 ======================= Grid point 243 (74/180) ======================= q-point: ( 0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 20.377 0.000 19.720) 28.357 1.360 ( 19.552 0.000 22.231) 29.605 2.471 ( 19.169 0.000 42.759) 46.859 3.539 ( 22.487 0.000 -7.408) 23.675 3.798 ( -11.887 0.000 -14.083) 18.429 4.230 ( 1.817 0.000 18.094) 18.185 5.012 ( -13.795 0.000 -5.111) 14.711 5.508 ( -0.803 0.000 7.501) 7.544 5.778 ( 4.280 0.000 8.587) 9.595 6.423 ( -2.696 0.000 4.907) 5.599 6.711 ( 4.108 0.000 -9.316) 10.181 6.996 ( 5.470 0.000 15.970) 16.880 7.421 ( 12.459 0.000 3.607) 12.970 7.682 ( 0.065 0.000 -4.506) 4.507 9.154 ( 8.315 0.000 2.885) 8.802 9.188 ( -23.074 0.000 -2.860) 23.250 9.478 ( -12.661 0.000 0.592) 12.674 10.027 ( 17.141 0.000 -6.769) 18.429 10.523 ( -14.479 0.000 11.140) 18.269 11.141 ( 8.381 0.000 7.693) 11.377 12.063 ( -4.640 0.000 -5.642) 7.304 12.555 ( -17.764 0.000 20.080) 26.810 12.901 ( -17.925 0.000 -14.551) 23.087 13.250 ( 8.193 0.000 8.212) 11.600 13.628 ( 18.104 0.000 -6.233) 19.147 14.444 ( 9.660 0.000 -5.448) 11.090 15.047 ( -33.011 0.000 15.090) 36.297 15.422 ( 4.045 0.000 5.535) 6.855 16.606 ( -8.681 0.000 -6.301) 10.727 17.197 ( 47.031 0.000 -25.848) 53.666 19.405 ( -12.787 0.000 5.488) 13.915 20.411 ( 11.075 0.000 8.946) 14.237 20.523 ( -20.045 0.000 -11.162) 22.943 21.592 ( 19.358 0.000 -10.394) 21.972 23.604 ( -13.482 0.000 21.793) 25.626 25.354 ( 0.246 0.000 -9.120) 9.123 ======================= Grid point 244 (75/180) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 21.180 0.000 16.340) 26.751 1.828 ( 24.694 0.000 17.081) 30.026 2.952 ( 23.242 0.000 24.344) 33.657 3.487 ( -17.182 0.000 -8.631) 19.228 4.021 ( 23.746 0.000 -4.452) 24.160 4.385 ( 15.483 0.000 14.010) 20.881 4.713 ( -15.791 0.000 -1.925) 15.908 5.380 ( -10.507 0.000 10.680) 14.982 5.867 ( 4.025 0.000 8.293) 9.218 6.382 ( -1.022 0.000 2.907) 3.082 6.870 ( 10.601 0.000 -7.361) 12.906 7.099 ( 3.729 0.000 14.768) 15.231 7.689 ( 12.632 0.000 -2.099) 12.805 7.708 ( 2.436 0.000 -7.162) 7.565 8.717 ( -22.747 0.000 0.790) 22.761 9.157 ( -16.455 0.000 5.801) 17.448 9.314 ( 4.440 0.000 1.956) 4.852 10.230 ( -13.759 0.000 12.684) 18.713 10.336 ( 13.215 0.000 -7.028) 14.967 11.277 ( 5.244 0.000 14.404) 15.329 11.943 ( -6.974 0.000 -4.788) 8.460 12.239 ( -13.118 0.000 18.513) 22.690 12.538 ( -16.772 0.000 -13.497) 21.529 13.305 ( -1.885 0.000 11.351) 11.507 14.016 ( 18.773 0.000 -7.563) 20.239 14.630 ( 7.499 0.000 -9.167) 11.843 14.679 ( -6.012 0.000 10.670) 12.247 15.548 ( 7.047 0.000 -1.134) 7.138 16.420 ( -6.415 0.000 5.676) 8.565 17.952 ( 28.737 0.000 -27.647) 39.877 19.104 ( -16.535 0.000 1.744) 16.626 20.138 ( -17.746 0.000 -13.240) 22.141 20.640 ( 10.514 0.000 10.415) 14.799 21.945 ( 15.118 0.000 -9.999) 18.125 23.320 ( -13.264 0.000 26.899) 29.991 25.362 ( 0.558 0.000 -8.891) 8.908 ======================= Grid point 245 (76/180) ======================= q-point: ( 0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 20.349 0.000 15.090) 25.334 2.286 ( 18.578 0.000 11.527) 21.864 3.189 ( -9.652 0.000 1.257) 9.734 3.267 ( 7.525 0.000 11.114) 13.422 4.366 ( -18.325 0.000 1.432) 18.381 4.520 ( 25.628 0.000 1.078) 25.651 4.833 ( 26.420 0.000 6.797) 27.280 5.149 ( -11.157 0.000 12.795) 16.976 5.927 ( 1.673 0.000 7.785) 7.963 6.380 ( 0.668 0.000 2.405) 2.496 7.096 ( 10.925 0.000 -7.455) 13.226 7.128 ( -0.928 0.000 12.296) 12.331 7.762 ( 2.212 0.000 -8.377) 8.664 7.863 ( 1.469 0.000 -4.971) 5.183 8.330 ( -12.251 0.000 2.709) 12.546 8.844 ( -13.160 0.000 7.592) 15.193 9.298 ( -6.719 0.000 0.612) 6.747 10.009 ( -7.178 0.000 16.302) 17.812 10.554 ( 8.244 0.000 -6.474) 10.482 11.367 ( 3.965 0.000 23.139) 23.476 11.790 ( -7.872 0.000 -4.672) 9.154 12.022 ( -8.637 0.000 11.580) 14.446 12.263 ( -9.806 0.000 -12.670) 16.021 13.237 ( -3.624 0.000 15.585) 16.001 14.321 ( 10.008 0.000 -4.571) 11.002 14.673 ( 2.826 0.000 5.040) 5.778 14.753 ( 5.923 0.000 -13.278) 14.539 15.568 ( -6.739 0.000 -10.754) 12.691 16.526 ( 18.383 0.000 16.587) 24.760 18.418 ( 18.616 0.000 -24.288) 30.602 18.736 ( -20.076 0.000 1.047) 20.103 19.805 ( -15.198 0.000 -14.469) 20.984 20.817 ( 6.885 0.000 10.430) 12.497 22.204 ( 10.689 0.000 -9.153) 14.073 23.087 ( -9.776 0.000 28.313) 29.953 25.376 ( 0.744 0.000 -8.555) 8.587 ======================= Grid point 246 (77/180) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 3.176 0.000 6.867) 7.566 2.552 ( 14.875 0.000 16.277) 22.050 3.183 ( 8.139 0.000 8.930) 12.083 3.311 ( -1.533 0.000 4.817) 5.055 4.000 ( -16.758 0.000 8.674) 18.870 4.957 ( -7.239 0.000 11.760) 13.809 4.986 ( 18.557 0.000 0.942) 18.581 5.357 ( 22.890 0.000 2.271) 23.003 5.922 ( -2.369 0.000 6.732) 7.137 6.403 ( 1.434 0.000 1.529) 2.096 7.072 ( -3.948 0.000 7.747) 8.695 7.293 ( 8.458 0.000 -5.884) 10.304 7.703 ( -12.444 0.000 -1.633) 12.551 7.780 ( -0.339 0.000 -3.884) 3.898 8.280 ( 2.743 0.000 -2.242) 3.543 8.658 ( -4.969 0.000 -0.015) 4.969 9.096 ( -10.693 0.000 7.215) 12.900 9.929 ( -1.769 0.000 17.476) 17.566 10.668 ( 3.254 0.000 -5.992) 6.819 11.441 ( 3.141 0.000 32.595) 32.746 11.650 ( -5.189 0.000 -5.478) 7.546 11.883 ( -5.036 0.000 2.877) 5.800 12.137 ( -3.312 0.000 -10.976) 11.465 13.180 ( -1.824 0.000 18.522) 18.612 14.416 ( 0.821 0.000 -3.116) 3.223 14.734 ( 2.562 0.000 2.628) 3.670 14.899 ( 7.993 0.000 -12.974) 15.239 15.371 ( -10.251 0.000 -9.592) 14.039 17.041 ( 29.027 0.000 11.420) 31.192 18.288 ( -24.015 0.000 3.740) 24.304 18.733 ( 12.602 0.000 -24.258) 27.336 19.528 ( -11.828 0.000 -12.561) 17.253 20.918 ( 3.201 0.000 9.929) 10.432 22.380 ( 6.611 0.000 -10.926) 12.770 22.924 ( -6.164 0.000 30.822) 31.432 25.389 ( 0.546 0.000 -8.246) 8.264 ======================= Grid point 247 (78/180) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -0.000 0.000 8.353) 8.353 2.721 ( 0.000 0.000 18.556) 18.556 3.277 ( -0.000 0.000 1.454) 1.454 3.327 ( 0.000 0.000 3.268) 3.268 3.786 ( -0.000 0.000 17.975) 17.975 4.880 ( 0.000 0.000 10.531) 10.531 5.192 ( 0.000 0.000 1.221) 1.221 5.635 ( -0.000 0.000 -0.906) 0.906 5.864 ( 0.000 0.000 6.326) 6.326 6.422 ( -0.000 0.000 1.043) 1.043 7.019 ( 0.000 0.000 5.693) 5.693 7.423 ( 0.000 0.000 -2.650) 2.650 7.519 ( -0.000 0.000 -3.067) 3.067 7.770 ( 0.000 0.000 0.368) 0.368 8.316 ( 0.000 0.000 -3.868) 3.868 8.619 ( -0.000 0.000 -9.475) 9.475 8.968 ( 0.000 0.000 14.981) 14.981 9.913 ( 0.000 0.000 17.624) 17.624 10.699 ( 0.000 0.000 -5.898) 5.898 11.477 ( 0.000 0.000 38.719) 38.719 11.597 ( 0.000 0.000 -5.752) 5.752 11.829 ( -0.000 0.000 -3.038) 3.038 12.107 ( 0.000 0.000 -10.228) 10.228 13.162 ( 0.000 0.000 19.650) 19.650 14.415 ( 0.000 0.000 -3.379) 3.379 14.762 ( 0.000 0.000 1.986) 1.986 15.013 ( 0.000 0.000 -10.923) 10.923 15.235 ( -0.000 0.000 -9.631) 9.631 17.498 ( 0.000 0.000 3.721) 3.721 17.889 ( -0.000 0.000 9.970) 9.970 18.884 ( 0.000 0.000 -27.347) 27.347 19.384 ( 0.000 0.000 -8.804) 8.804 20.950 ( 0.000 0.000 9.666) 9.666 22.454 ( 0.000 0.000 -14.218) 14.218 22.856 ( -0.000 0.000 34.289) 34.289 25.395 ( 0.000 0.000 -8.120) 8.120 ======================= Grid point 253 (79/180) ======================= q-point: ( 0.00 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 0.000 6.235 22.898) 23.732 1.262 ( 0.000 17.912 21.142) 27.710 2.545 ( 0.000 24.094 41.807) 48.253 3.280 ( 0.000 1.388 -5.643) 5.811 4.003 ( 0.000 4.552 -10.629) 11.563 4.213 ( 0.000 1.398 14.480) 14.547 5.159 ( 0.000 -3.849 -11.411) 12.043 5.537 ( 0.000 5.231 11.127) 12.295 5.748 ( 0.000 1.945 9.567) 9.762 6.618 ( 0.000 -6.264 -12.256) 13.764 6.675 ( 0.000 19.229 0.141) 19.229 6.960 ( 0.000 2.073 13.256) 13.417 7.267 ( 0.000 0.826 8.518) 8.558 7.698 ( 0.000 0.944 -4.432) 4.531 8.923 ( 0.000 -11.407 0.695) 11.428 9.259 ( 0.000 -19.899 -7.667) 21.325 9.655 ( 0.000 -4.354 2.953) 5.261 9.825 ( 0.000 8.100 -0.800) 8.140 10.736 ( 0.000 0.022 12.355) 12.355 10.946 ( 0.000 -4.990 11.916) 12.918 12.048 ( 0.000 -5.815 -5.118) 7.747 12.805 ( 0.000 -2.470 9.272) 9.595 12.818 ( 0.000 -20.717 17.371) 27.036 13.179 ( 0.000 -1.257 -16.839) 16.886 13.559 ( 0.000 16.693 6.653) 17.969 14.199 ( 0.000 -11.329 6.285) 12.956 14.720 ( 0.000 -15.473 -0.376) 15.477 16.095 ( 0.000 -15.220 -12.975) 20.000 16.788 ( 0.000 7.427 -6.136) 9.634 16.843 ( 0.000 48.177 -20.171) 52.229 19.503 ( 0.000 -5.367 8.371) 9.944 19.997 ( 0.000 -18.636 12.069) 22.203 21.002 ( 0.000 9.504 -17.243) 19.689 21.306 ( 0.000 1.097 -8.414) 8.485 23.995 ( 0.000 18.738 8.920) 20.752 25.342 ( 0.000 -1.009 -8.486) 8.545 ======================= Grid point 254 (80/180) ======================= q-point: ( 0.10 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 16.425 3.024 20.521) 26.458 1.471 ( 16.927 12.547 17.884) 27.637 2.708 ( 16.357 21.759 33.550) 43.204 3.496 ( 16.256 -2.325 -7.639) 18.111 3.893 ( -8.647 5.765 -9.467) 14.058 4.230 ( 2.640 1.386 15.587) 15.870 5.013 ( -12.227 -0.451 -6.127) 13.684 5.530 ( -2.103 2.095 9.276) 9.740 5.784 ( 2.548 0.851 9.421) 9.796 6.591 ( -2.008 5.625 -8.196) 10.141 6.685 ( 2.414 6.495 0.567) 6.952 7.033 ( 6.020 3.237 11.701) 13.552 7.367 ( 7.948 -4.048 2.742) 9.332 7.741 ( 4.708 5.070 -3.834) 7.910 8.824 ( -11.446 -18.794 -5.421) 22.663 9.238 ( 0.586 -7.178 4.614) 8.553 9.545 ( -9.373 3.806 1.306) 10.200 9.972 ( 11.783 -3.817 -1.193) 12.443 10.510 ( -14.613 -1.486 12.596) 19.349 11.108 ( 8.355 -3.009 11.429) 14.473 12.012 ( -3.559 -4.645 -4.915) 7.642 12.485 ( -15.921 -5.484 15.993) 23.224 12.907 ( -7.361 -6.981 -5.603) 11.590 13.201 ( 4.391 1.499 3.845) 6.026 13.724 ( 14.657 7.928 -0.548) 16.672 14.292 ( 7.974 -13.978 7.589) 17.792 14.656 ( -4.147 -8.013 -2.970) 9.499 15.947 ( -11.724 20.172 -0.835) 23.346 16.340 ( -12.517 -13.897 -12.307) 22.389 17.542 ( 33.381 22.922 -21.874) 46.024 19.323 ( -13.809 -7.657 5.294) 16.653 20.179 ( 12.732 -15.222 12.223) 23.307 20.677 ( -19.570 8.583 -13.940) 25.514 21.608 ( 18.124 0.635 -11.229) 21.330 23.823 ( -14.591 18.675 15.394) 28.260 25.343 ( 0.099 -1.148 -8.454) 8.532 ======================= Grid point 255 (81/180) ======================= q-point: ( 0.20 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 20.873 -0.278 16.435) 26.568 1.868 ( 21.819 6.009 14.643) 26.956 3.090 ( 15.893 12.613 16.489) 26.145 3.512 ( -12.156 2.535 -5.833) 13.720 4.010 ( 18.785 -1.546 -3.714) 19.211 4.368 ( 10.751 -1.209 12.011) 16.165 4.745 ( -12.075 3.215 0.321) 12.499 5.424 ( -7.297 4.168 11.122) 13.940 5.837 ( 2.557 -1.439 8.247) 8.754 6.561 ( -0.728 13.619 -1.206) 13.692 6.796 ( 7.833 -4.710 -2.859) 9.577 7.142 ( 3.921 3.473 10.313) 11.567 7.530 ( 7.541 -8.209 -5.296) 12.341 7.885 ( 8.459 10.062 -3.058) 13.496 8.512 ( -17.113 -15.270 -4.085) 23.296 9.155 ( -11.331 -2.733 13.139) 17.564 9.427 ( -0.781 7.937 -0.321) 7.981 10.145 ( -5.336 -8.578 6.957) 12.266 10.297 ( 3.932 -2.360 3.230) 5.609 11.220 ( 3.095 -4.815 13.848) 14.984 11.897 ( -8.118 -4.843 -2.689) 9.828 12.222 ( -9.560 -0.054 10.974) 14.554 12.660 ( -13.666 7.504 -7.888) 17.473 13.259 ( 0.046 -1.982 11.566) 11.735 14.059 ( 16.450 3.019 -5.208) 17.516 14.481 ( 9.883 -11.317 7.522) 16.803 14.631 ( 2.110 -2.312 -9.245) 9.761 15.740 ( -9.051 13.683 -4.337) 16.970 16.225 ( 1.478 -15.265 1.600) 15.420 18.098 ( 21.739 10.909 -22.146) 32.894 19.016 ( -16.241 -8.323 1.680) 18.326 20.180 ( -16.169 0.231 -10.006) 19.016 20.551 ( 9.966 -4.381 7.298) 13.107 21.936 ( 14.104 -1.425 -10.967) 17.923 23.507 ( -15.106 16.946 22.892) 32.239 25.347 ( 0.244 -1.607 -8.278) 8.436 ======================= Grid point 256 (82/180) ======================= q-point: ( 0.30 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 18.730 -1.752 13.125) 22.938 2.300 ( 18.909 2.459 11.982) 22.521 3.138 ( -5.934 -1.219 0.442) 6.074 3.420 ( 1.251 11.030 8.746) 14.132 4.266 ( -8.983 -8.640 -0.035) 12.464 4.440 ( 8.537 -7.755 4.568) 12.405 4.837 ( 19.148 2.905 5.349) 20.093 5.333 ( 1.556 14.095 12.310) 18.778 5.876 ( 0.969 -2.810 5.959) 6.659 6.560 ( 0.575 14.751 2.006) 14.898 6.948 ( 5.757 -9.038 -2.595) 11.025 7.201 ( 2.833 2.542 5.605) 6.776 7.636 ( 1.370 -8.068 -7.677) 11.220 7.972 ( -3.984 4.383 -3.080) 6.676 8.269 ( -1.620 -1.383 -1.241) 2.466 8.908 ( -10.999 4.142 13.025) 17.544 9.359 ( -7.983 5.291 -0.617) 9.598 9.951 ( -7.584 -6.126 15.372) 18.203 10.492 ( 9.478 -5.371 -2.739) 11.233 11.262 ( 1.851 -8.419 17.999) 19.956 11.698 ( -10.632 -8.130 -0.318) 13.388 12.082 ( -5.240 5.075 3.932) 8.287 12.429 ( -8.362 13.287 -6.155) 16.863 13.222 ( -2.893 -0.628 15.062) 15.350 14.334 ( 9.977 0.594 -3.746) 10.674 14.592 ( 1.527 -3.861 1.142) 4.306 14.768 ( 9.568 -2.589 -10.800) 14.659 15.552 ( -9.260 -1.547 -10.243) 13.895 16.438 ( 19.268 -6.479 12.714) 23.976 18.404 ( 3.862 -3.889 -14.942) 15.916 18.709 ( -8.880 -1.262 -4.157) 9.885 19.833 ( -16.435 1.321 -14.061) 21.670 20.758 ( 8.787 -4.143 10.059) 13.984 22.178 ( 9.895 -3.032 -10.840) 14.987 23.242 ( -10.942 14.782 26.239) 32.042 25.353 ( 0.385 -2.273 -7.984) 8.310 ======================= Grid point 257 (83/180) ======================= q-point: ( 0.40 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 4.795 -4.892 9.685) 11.862 2.601 ( 12.956 3.608 12.077) 18.075 3.168 ( 8.672 -0.896 7.990) 11.826 3.386 ( -4.103 6.245 3.864) 8.412 3.969 ( -14.487 -2.755 7.926) 16.742 4.539 ( -0.920 -20.434 9.169) 22.415 5.226 ( 17.050 1.910 -5.285) 17.953 5.532 ( 14.451 17.821 10.719) 25.324 5.862 ( -2.535 -3.509 3.552) 5.600 6.575 ( 0.568 14.441 2.444) 14.657 7.004 ( 0.599 -6.243 2.116) 6.619 7.262 ( 1.603 -3.674 -1.671) 4.342 7.546 ( -7.118 -7.542 -2.186) 10.599 7.875 ( -2.380 3.331 -5.252) 6.659 8.351 ( 5.035 7.516 0.728) 9.076 8.750 ( -4.287 7.691 4.968) 10.110 9.138 ( -11.478 4.107 5.068) 13.202 9.861 ( -2.156 -6.904 16.249) 17.786 10.637 ( 4.677 -2.988 -3.482) 6.552 11.310 ( 2.799 -10.243 23.137) 25.457 11.505 ( -7.651 -11.286 -0.221) 13.637 11.992 ( -3.474 7.245 -1.664) 8.206 12.323 ( -2.701 15.688 -4.447) 16.528 13.166 ( -2.221 -0.989 17.290) 17.460 14.437 ( 0.780 1.336 -2.983) 3.361 14.638 ( 3.390 -6.833 0.973) 7.689 14.921 ( 5.021 -0.521 -10.560) 11.705 15.393 ( -5.867 2.436 -10.597) 12.355 16.939 ( 28.225 -9.112 10.658) 31.516 18.113 ( -23.457 -14.750 1.738) 27.764 18.812 ( 9.917 4.924 -19.092) 22.070 19.536 ( -12.487 0.170 -12.697) 17.809 20.891 ( 4.306 -1.970 9.876) 10.952 22.336 ( 5.660 -4.707 -12.389) 14.411 23.068 ( -6.170 13.998 28.845) 32.651 25.361 ( 0.308 -2.867 -7.705) 8.227 ======================= Grid point 258 (84/180) ======================= q-point: (-0.50 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 0.000 -4.745 10.089) 11.149 2.768 ( 0.000 3.855 14.664) 15.162 3.252 ( 0.000 -1.672 5.773) 6.010 3.377 ( 0.000 3.706 -1.055) 3.853 3.785 ( -0.000 0.011 17.144) 17.144 4.510 ( 0.000 -22.729 8.499) 24.266 5.432 ( 0.000 5.018 -6.664) 8.342 5.722 ( -0.000 13.967 7.703) 15.950 5.802 ( 0.000 -4.781 2.739) 5.510 6.579 ( 0.000 13.776 1.828) 13.897 7.010 ( 0.000 -1.349 3.450) 3.704 7.245 ( 0.000 -13.240 -1.059) 13.282 7.486 ( 0.000 -1.801 -2.113) 2.776 7.852 ( 0.000 4.577 -5.102) 6.854 8.406 ( 0.000 8.373 4.131) 9.336 8.719 ( -0.000 9.281 -6.996) 11.622 8.999 ( 0.000 2.999 13.122) 13.460 9.841 ( 0.000 -7.236 16.234) 17.774 10.683 ( 0.000 -1.604 -3.798) 4.123 11.352 ( 0.000 -9.824 29.968) 31.537 11.417 ( 0.000 -13.500 -3.993) 14.078 11.954 ( -0.000 7.837 -4.927) 9.257 12.299 ( 0.000 16.271 -3.667) 16.679 13.143 ( 0.000 -1.653 18.057) 18.132 14.434 ( 0.000 0.808 -3.114) 3.217 14.681 ( 0.000 -6.388 2.723) 6.944 14.971 ( 0.000 -3.198 -10.137) 10.629 15.331 ( 0.000 7.653 -11.215) 13.577 17.421 ( 0.000 -7.392 4.154) 8.479 17.682 ( -0.000 -18.313 8.470) 20.177 18.940 ( 0.000 3.681 -23.061) 23.353 19.384 ( 0.000 -0.295 -9.367) 9.371 20.934 ( 0.000 -1.101 9.743) 9.805 22.396 ( 0.000 -5.776 -14.049) 15.190 23.003 ( 0.000 14.227 30.710) 33.845 25.364 ( 0.000 -3.104 -7.590) 8.200 ======================= Grid point 264 (85/180) ======================= q-point: ( 0.00 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 0.000 17.708 12.606) 21.737 1.684 ( 0.000 23.583 14.497) 27.682 3.116 ( 0.000 31.985 23.802) 39.869 3.307 ( 0.000 1.031 -6.274) 6.358 3.981 ( 0.000 -5.149 4.508) 6.844 4.376 ( 0.000 13.509 1.819) 13.631 5.074 ( 0.000 -4.275 -9.372) 10.301 5.621 ( 0.000 3.436 12.769) 13.223 5.783 ( 0.000 1.012 10.020) 10.071 6.488 ( 0.000 -6.272 -9.833) 11.664 6.954 ( 0.000 4.212 2.081) 4.698 6.987 ( 0.000 0.406 10.143) 10.151 7.434 ( 0.000 18.704 -2.611) 18.885 7.718 ( 0.000 1.004 -5.389) 5.482 8.677 ( 0.000 -12.511 -5.566) 13.693 8.842 ( 0.000 -22.132 -6.099) 22.957 9.505 ( 0.000 -10.686 11.389) 15.617 9.925 ( 0.000 2.105 4.393) 4.872 10.720 ( 0.000 -1.483 15.693) 15.763 10.826 ( 0.000 -6.474 23.759) 24.625 11.924 ( 0.000 -6.421 -3.279) 7.210 12.377 ( 0.000 -21.141 23.529) 31.631 12.805 ( 0.000 2.711 1.065) 2.913 13.153 ( 0.000 -0.395 -11.481) 11.488 13.924 ( 0.000 19.183 6.439) 20.234 14.084 ( 0.000 -0.935 -1.488) 1.757 14.644 ( 0.000 1.651 -11.950) 12.064 15.713 ( 0.000 -23.056 -17.719) 29.079 16.964 ( 0.000 10.488 -1.861) 10.652 17.497 ( 0.000 20.824 -19.996) 28.869 19.361 ( 0.000 -8.738 7.813) 11.722 19.679 ( 0.000 -13.791 14.861) 20.274 21.114 ( 0.000 2.735 -20.287) 20.470 21.328 ( 0.000 0.979 -9.776) 9.825 24.336 ( 0.000 14.361 3.899) 14.881 25.307 ( 0.000 -2.755 -6.921) 7.449 ======================= Grid point 265 (86/180) ======================= q-point: ( 0.10 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 10.645 14.748 12.263) 21.936 1.793 ( 9.796 19.251 13.027) 25.225 3.202 ( 9.583 25.056 14.655) 30.568 3.477 ( 11.660 1.221 -5.400) 12.907 3.924 ( -4.911 -2.309 1.577) 5.651 4.341 ( -1.325 9.645 7.525) 12.305 4.997 ( -7.371 -0.327 -5.363) 9.122 5.577 ( -3.246 2.225 11.778) 12.418 5.810 ( 1.712 1.596 9.704) 9.983 6.513 ( 2.886 -5.326 -6.719) 9.046 6.909 ( -2.240 4.407 3.019) 5.792 7.108 ( 8.935 1.747 4.967) 10.371 7.377 ( -2.987 9.366 -3.085) 10.303 7.863 ( 11.260 7.665 -3.597) 14.089 8.480 ( -12.595 -15.824 -6.739) 21.318 8.996 ( 7.514 -16.021 -1.968) 17.805 9.486 ( -1.993 -9.274 10.822) 14.391 9.945 ( 2.883 0.264 5.862) 6.538 10.461 ( -14.163 -3.312 16.598) 22.069 11.042 ( 8.975 -3.182 17.269) 19.720 11.906 ( -2.330 -5.921 -2.687) 6.907 12.316 ( -5.798 -12.516 19.484) 23.872 12.731 ( -2.960 -4.777 -1.019) 5.711 13.280 ( 7.046 3.916 -5.350) 9.675 13.900 ( 1.650 8.631 4.961) 10.091 14.179 ( 7.240 3.032 -2.229) 8.159 14.621 ( -1.636 0.875 -10.815) 10.973 15.775 ( 4.717 -22.402 -14.731) 27.224 16.507 ( -27.872 17.869 -3.962) 33.344 17.891 ( 23.132 12.082 -15.882) 30.550 19.135 ( -15.884 -11.032 5.561) 20.123 19.882 ( 12.482 -14.843 14.872) 24.439 20.833 ( -16.161 7.376 -17.896) 25.216 21.596 ( 15.641 -1.825 -12.019) 19.810 24.188 ( -13.154 16.560 8.388) 22.751 25.304 ( -0.277 -2.981 -6.919) 7.539 ======================= Grid point 266 (87/180) ======================= q-point: ( 0.20 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 15.822 7.268 11.235) 20.722 2.058 ( 16.100 12.781 10.180) 22.939 3.339 ( -3.980 9.378 -0.954) 10.232 3.608 ( 4.003 8.422 0.483) 9.338 3.949 ( 9.555 -4.158 -0.926) 10.461 4.351 ( -0.307 -0.614 7.478) 7.510 4.844 ( -4.334 7.042 5.168) 9.751 5.517 ( -1.586 4.318 11.598) 12.477 5.846 ( 2.045 2.796 7.972) 8.692 6.606 ( 5.848 -5.386 -5.752) 9.814 6.877 ( -0.682 6.322 3.957) 7.489 7.253 ( 2.509 7.850 1.345) 8.350 7.389 ( 5.538 -4.365 -4.737) 8.495 8.075 ( 5.194 6.780 -1.756) 8.719 8.257 ( -5.208 -6.953 -4.424) 9.749 9.047 ( -2.588 -8.445 6.791) 11.142 9.457 ( -0.371 -6.724 7.026) 9.732 9.996 ( -3.343 -3.998 9.162) 10.541 10.249 ( -1.769 -2.925 9.828) 10.406 11.123 ( -0.217 -4.623 13.395) 14.172 11.785 ( -10.172 -5.828 -1.041) 11.769 12.210 ( -3.569 -2.462 11.057) 11.876 12.699 ( -1.477 -2.359 -1.292) 3.069 13.333 ( -1.314 8.892 4.803) 10.191 14.059 ( 12.535 -4.367 1.191) 13.327 14.370 ( 12.212 0.446 -6.773) 13.972 14.590 ( -1.636 -0.883 -6.889) 7.135 15.749 ( -11.548 -14.510 -11.174) 21.651 16.176 ( 0.605 13.132 0.216) 13.148 18.261 ( 12.121 4.716 -12.905) 18.322 18.807 ( -15.061 -12.321 1.628) 19.527 20.004 ( -3.808 -15.473 5.389) 16.822 20.630 ( -0.850 9.915 -9.562) 13.800 21.879 ( 12.073 -4.366 -11.666) 17.347 23.882 ( -15.478 19.406 15.529) 29.280 25.296 ( -0.455 -3.590 -6.827) 7.727 ======================= Grid point 267 (88/180) ======================= q-point: ( 0.30 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 14.498 -0.615 10.117) 17.689 2.409 ( 17.091 8.626 8.076) 20.778 3.144 ( -8.405 1.131 -1.292) 8.578 3.651 ( -2.534 11.756 4.780) 12.941 4.077 ( -3.562 -9.749 -0.226) 10.382 4.287 ( -1.705 -6.527 4.278) 7.988 4.916 ( 10.387 3.828 4.563) 11.974 5.572 ( 7.305 7.355 10.394) 14.680 5.894 ( 2.836 6.706 5.408) 9.069 6.726 ( 5.605 -4.325 -3.606) 7.945 6.883 ( 0.999 6.414 2.609) 6.996 7.250 ( -1.825 3.814 -0.133) 4.230 7.491 ( 2.103 -5.321 -5.677) 8.060 7.976 ( -6.136 -1.313 -1.880) 6.550 8.381 ( 9.452 10.453 1.392) 14.161 8.956 ( -4.656 0.532 12.029) 12.909 9.420 ( -5.171 -2.502 2.055) 6.101 9.800 ( -10.294 -6.380 14.172) 18.641 10.388 ( 10.096 -4.847 3.936) 11.871 11.094 ( -1.250 -8.313 12.690) 15.222 11.532 ( -13.506 -7.862 0.017) 15.628 12.152 ( -2.800 1.204 3.715) 4.805 12.663 ( -1.604 8.726 -0.752) 8.904 13.268 ( -4.506 6.512 10.762) 13.361 14.305 ( 10.036 -5.272 -0.280) 11.340 14.520 ( -2.485 -7.137 -8.818) 11.614 14.682 ( 14.331 -0.343 -4.560) 15.043 15.506 ( -8.321 -3.121 -10.375) 13.661 16.370 ( 15.152 0.689 5.797) 16.237 18.226 ( -16.521 -13.283 -2.173) 21.310 18.700 ( 5.806 -0.659 -8.845) 10.601 19.782 ( -14.480 -7.513 -8.289) 18.298 20.739 ( 7.975 3.156 3.032) 9.097 22.080 ( 7.821 -6.859 -11.885) 15.795 23.604 ( -11.487 20.671 19.888) 30.900 25.287 ( -0.404 -4.423 -6.633) 7.983 ======================= Grid point 268 (89/180) ======================= q-point: ( 0.40 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 4.456 -4.476 9.532) 11.435 2.697 ( 11.699 6.504 7.419) 15.304 3.145 ( 7.399 -2.088 7.030) 10.417 3.497 ( -10.324 3.537 0.770) 10.941 3.918 ( -8.665 -1.761 7.821) 11.805 4.232 ( -4.446 -9.368 6.905) 12.458 5.187 ( 13.872 -4.829 -6.822) 16.195 5.707 ( 2.794 -2.855 1.027) 4.125 5.990 ( 6.961 17.470 8.350) 20.576 6.823 ( 3.665 2.407 3.095) 5.367 6.910 ( 2.024 3.498 -2.027) 4.522 7.157 ( -7.526 -3.997 -2.103) 8.777 7.497 ( 0.392 2.232 -0.808) 2.406 7.917 ( -0.839 1.752 -4.502) 4.903 8.537 ( 5.365 9.971 8.568) 14.199 8.903 ( 0.035 7.374 7.635) 10.615 9.235 ( -11.145 4.600 2.608) 12.336 9.669 ( -3.226 -11.579 14.670) 18.966 10.566 ( 6.673 -4.027 1.592) 7.955 11.102 ( 1.910 -10.837 13.245) 17.220 11.282 ( -10.249 -10.446 2.834) 14.907 12.093 ( -2.702 2.275 -3.299) 4.833 12.646 ( -0.136 15.531 0.065) 15.532 13.172 ( -4.306 2.586 13.177) 14.102 14.397 ( -1.056 -7.859 -3.012) 8.482 14.519 ( 3.425 -4.530 1.083) 5.781 14.902 ( 6.238 0.956 -7.194) 9.570 15.439 ( 0.454 1.070 -13.308) 13.359 16.757 ( 22.780 -7.818 8.591) 25.570 17.788 ( -24.681 -17.510 2.856) 30.396 18.862 ( 8.259 0.036 -13.157) 15.535 19.501 ( -12.211 -4.343 -11.255) 17.165 20.878 ( 5.038 1.171 6.793) 8.539 22.197 ( 3.774 -9.342 -12.811) 16.298 23.427 ( -5.902 21.426 21.988) 31.263 25.281 ( -0.218 -5.165 -6.431) 8.251 ======================= Grid point 269 (90/180) ======================= q-point: (-0.50 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 0.000 -4.185 10.621) 11.416 2.857 ( 0.000 5.319 8.248) 9.814 3.205 ( 0.000 -3.995 9.348) 10.166 3.420 ( 0.000 -0.822 -3.431) 3.528 3.790 ( -0.000 0.615 15.148) 15.160 4.176 ( 0.000 -8.441 4.774) 9.698 5.359 ( 0.000 -8.841 -10.324) 13.592 5.707 ( 0.000 -5.138 -3.600) 6.274 6.086 ( -0.000 18.945 9.771) 21.316 6.859 ( -0.000 9.915 3.764) 10.605 6.976 ( 0.000 1.890 -2.632) 3.240 7.018 ( 0.000 -8.433 -0.277) 8.438 7.510 ( 0.000 4.826 0.717) 4.879 7.909 ( 0.000 1.542 -6.667) 6.843 8.590 ( 0.000 8.949 15.064) 17.522 8.937 ( -0.000 11.702 -2.678) 12.005 9.080 ( 0.000 5.267 8.496) 9.997 9.639 ( 0.000 -12.724 14.149) 19.029 10.638 ( 0.000 -2.955 0.502) 2.997 11.134 ( -0.000 -14.879 -2.034) 15.017 11.164 ( 0.000 -8.596 20.758) 22.467 12.062 ( 0.000 2.329 -6.822) 7.209 12.647 ( 0.000 17.950 -0.017) 17.950 13.123 ( 0.000 0.507 14.097) 14.106 14.376 ( 0.000 -7.981 -2.916) 8.497 14.562 ( 0.000 -5.263 4.612) 6.998 14.957 ( 0.000 3.084 -7.792) 8.380 15.455 ( 0.000 3.580 -14.712) 15.141 17.239 ( 0.000 -10.395 4.871) 11.480 17.288 ( -0.000 -19.582 8.352) 21.288 18.970 ( 0.000 -0.944 -15.814) 15.842 19.352 ( 0.000 -3.399 -10.165) 10.719 20.930 ( 0.000 1.018 7.722) 7.789 22.234 ( 0.000 -10.506 -13.391) 17.020 23.367 ( 0.000 21.808 22.677) 31.462 25.279 ( 0.000 -5.464 -6.345) 8.373 ======================= Grid point 275 (91/180) ======================= q-point: ( 0.00 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 0.000 21.533 2.606) 21.690 2.139 ( 0.000 21.984 8.843) 23.696 3.309 ( 0.000 -0.870 -6.457) 6.515 3.692 ( 0.000 17.603 7.426) 19.105 3.904 ( 0.000 5.970 6.821) 9.065 4.686 ( 0.000 17.525 1.681) 17.606 5.007 ( 0.000 -2.453 -5.720) 6.224 5.683 ( 0.000 3.199 13.322) 13.700 5.764 ( 0.000 -3.296 7.045) 7.778 6.392 ( 0.000 -3.593 -6.769) 7.663 6.941 ( 0.000 -2.451 7.586) 7.972 6.979 ( 0.000 -1.027 7.851) 7.918 7.743 ( 0.000 1.966 -4.714) 5.108 7.807 ( 0.000 13.375 -7.402) 15.286 8.415 ( 0.000 -20.972 -3.150) 21.207 8.486 ( 0.000 -4.601 -11.710) 12.581 9.257 ( 0.000 -13.795 15.982) 21.113 9.898 ( 0.000 -5.054 5.674) 7.599 10.703 ( 0.000 0.515 20.448) 20.455 10.724 ( 0.000 -3.365 28.110) 28.311 11.799 ( 0.000 -6.440 1.376) 6.585 12.033 ( 0.000 -14.149 20.825) 25.177 12.910 ( 0.000 7.677 -5.866) 9.662 13.175 ( 0.000 2.604 -8.389) 8.784 14.080 ( 0.000 -0.693 -8.489) 8.517 14.277 ( 0.000 16.361 3.642) 16.761 14.704 ( 0.000 3.779 -13.956) 14.458 15.221 ( 0.000 -26.443 -19.973) 33.138 17.198 ( 0.000 13.323 0.462) 13.331 17.758 ( 0.000 7.954 -12.100) 14.480 19.177 ( 0.000 -9.740 8.179) 12.718 19.431 ( 0.000 -12.319 16.332) 20.457 21.146 ( 0.000 1.282 -22.280) 22.317 21.338 ( 0.000 -0.081 -12.107) 12.107 24.555 ( 0.000 8.744 2.411) 9.070 25.232 ( 0.000 -4.940 -5.456) 7.360 ======================= Grid point 276 (92/180) ======================= q-point: ( 0.10 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 6.657 20.410 2.188) 21.579 2.185 ( 4.491 19.877 7.977) 21.883 3.393 ( 7.972 -1.286 -9.141) 12.197 3.684 ( -2.867 6.130 3.706) 7.716 3.932 ( 2.972 12.454 5.628) 13.986 4.547 ( -9.995 9.803 3.631) 14.463 5.040 ( 0.437 5.557 -0.826) 5.635 5.595 ( -4.555 -0.983 11.925) 12.803 5.844 ( 4.841 2.159 8.023) 9.615 6.434 ( 3.663 -2.723 -3.908) 6.008 6.886 ( -1.455 -4.341 2.254) 5.103 7.093 ( 7.314 -0.965 7.362) 10.422 7.603 ( -5.529 9.071 -6.838) 12.634 8.019 ( 9.781 2.990 -3.217) 10.722 8.250 ( -5.246 -4.305 -4.170) 7.966 8.670 ( 9.301 -14.786 -8.247) 19.317 9.256 ( -0.244 -12.880 16.120) 20.635 9.915 ( 2.035 -4.375 6.587) 8.166 10.402 ( -14.030 -1.973 20.348) 24.795 10.997 ( 9.311 -1.369 22.246) 24.155 11.782 ( -1.384 -6.533 2.601) 7.167 12.068 ( 2.753 -11.134 18.838) 22.055 12.736 ( -9.331 3.834 -4.265) 10.952 13.354 ( 10.843 3.709 -7.329) 13.603 13.979 ( -6.915 -0.426 -4.793) 8.425 14.355 ( 5.053 12.400 -3.945) 13.959 14.644 ( -3.639 0.703 -9.926) 10.595 15.332 ( 8.313 -21.366 -17.869) 29.067 16.850 ( -23.053 17.313 -2.092) 28.906 18.043 ( 17.803 4.557 -8.046) 20.061 18.906 ( -18.862 -12.134 6.582) 23.374 19.597 ( 8.481 -14.362 15.063) 22.474 20.967 ( -9.880 6.334 -20.255) 23.410 21.544 ( 12.697 -3.260 -12.953) 18.429 24.455 ( -9.163 11.173 4.626) 15.172 25.225 ( -0.660 -5.112 -5.422) 7.481 ======================= Grid point 277 (93/180) ======================= q-point: ( 0.20 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 6.911 15.077 2.669) 16.799 2.343 ( 11.747 15.690 4.934) 20.211 3.421 ( -11.115 0.632 -5.318) 12.338 3.706 ( 9.960 -4.246 -7.351) 13.087 3.988 ( 1.213 12.182 3.639) 12.771 4.347 ( -9.742 0.456 4.359) 10.683 5.001 ( -3.313 8.011 7.844) 11.691 5.553 ( 0.581 -1.035 10.056) 10.126 5.956 ( 6.811 8.284 7.648) 13.172 6.522 ( 4.970 -2.667 -2.888) 6.337 6.897 ( 2.113 -2.296 2.195) 3.815 7.236 ( 5.826 -3.918 -0.712) 7.056 7.535 ( -1.476 11.601 -4.962) 12.704 8.016 ( -4.198 -5.814 -0.677) 7.203 8.379 ( 11.717 10.473 0.808) 15.736 8.822 ( 5.955 -13.050 -4.212) 14.950 9.248 ( -0.513 -11.517 14.436) 18.475 9.957 ( -1.580 -2.211 10.738) 11.076 10.181 ( -4.295 -3.545 12.413) 13.605 11.044 ( -3.366 -3.702 15.340) 16.135 11.689 ( -9.589 -3.440 1.371) 10.279 12.118 ( 1.635 -6.034 14.274) 15.583 12.670 ( 2.970 0.414 0.617) 3.062 13.516 ( 3.490 7.720 -1.417) 8.590 13.887 ( 0.366 -11.636 -4.776) 12.583 14.431 ( 1.592 3.466 -12.867) 13.420 14.630 ( 3.411 5.318 -0.331) 6.326 15.457 ( 2.440 -13.331 -14.288) 19.693 16.486 ( -10.224 17.121 -1.340) 19.986 18.273 ( -2.599 -4.048 -2.280) 5.324 18.569 ( -6.644 -10.299 -0.260) 12.259 19.676 ( -1.237 -17.016 8.898) 19.242 20.837 ( -2.351 10.283 -15.262) 18.553 21.773 ( 9.477 -6.202 -11.660) 16.255 24.229 ( -12.002 15.922 8.891) 21.831 25.206 ( -1.110 -5.574 -5.336) 7.796 ======================= Grid point 278 (94/180) ======================= q-point: ( 0.30 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 6.084 4.780 5.124) 9.280 2.625 ( 14.385 12.836 1.745) 19.358 3.161 ( -10.896 0.470 -0.169) 10.907 3.792 ( -8.606 -2.084 -4.424) 9.899 3.949 ( -1.898 -0.128 4.818) 5.180 4.231 ( -0.533 2.319 0.090) 2.381 4.958 ( 0.581 0.190 3.791) 3.840 5.587 ( 1.592 -4.356 3.320) 5.704 6.131 ( 10.222 14.964 8.895) 20.187 6.642 ( 6.902 -2.209 -2.475) 7.658 6.946 ( 2.107 0.892 4.352) 4.917 7.288 ( -0.926 -1.127 -5.168) 5.370 7.541 ( 2.068 10.032 -3.310) 10.765 7.968 ( -0.804 0.196 1.747) 1.933 8.576 ( 7.136 6.049 6.270) 11.261 8.932 ( 5.349 -2.310 1.367) 5.985 9.231 ( -1.319 -12.181 9.599) 15.564 9.778 ( -11.907 2.573 14.219) 18.724 10.285 ( 9.718 -6.437 6.556) 13.373 10.943 ( -4.929 -7.295 10.875) 13.992 11.419 ( -15.337 -3.004 0.242) 15.630 12.119 ( -1.638 -4.372 5.203) 6.990 12.776 ( 5.895 4.057 3.577) 8.000 13.457 ( -7.376 11.263 4.126) 14.082 14.024 ( 9.440 -20.962 -3.980) 23.332 14.429 ( -0.285 -1.851 -4.390) 4.773 14.775 ( 9.748 7.710 -3.959) 13.044 15.436 ( -2.561 -3.796 -12.437) 13.253 16.461 ( 6.082 7.896 1.308) 10.052 17.926 ( -22.830 -16.697 2.398) 28.386 18.672 ( 8.434 -1.816 -5.780) 10.384 19.563 ( -8.922 -13.679 -1.577) 16.407 20.859 ( 3.505 7.929 -5.764) 10.411 21.919 ( 5.008 -9.262 -11.229) 15.394 24.007 ( -9.416 19.828 12.010) 25.020 25.183 ( -1.130 -6.188 -5.212) 8.169 ======================= Grid point 279 (95/180) ======================= q-point: ( 0.40 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 3.340 -1.461 8.157) 8.934 2.854 ( 7.693 9.018 1.752) 11.982 3.070 ( 1.368 -5.241 5.463) 7.693 3.504 ( -13.996 -1.839 -0.340) 14.120 3.891 ( -4.791 -1.419 9.791) 10.992 4.224 ( -1.067 7.989 -2.217) 8.359 5.046 ( 6.579 -9.420 -7.222) 13.571 5.595 ( -0.619 -8.048 -6.208) 10.183 6.328 ( 7.935 15.839 10.066) 20.375 6.784 ( 6.452 -1.042 0.496) 6.555 6.967 ( -0.067 1.585 2.593) 3.040 7.231 ( -3.514 8.059 -1.548) 8.927 7.609 ( 4.204 8.646 -2.197) 9.861 7.949 ( -1.735 1.294 0.038) 2.165 8.676 ( 3.301 2.484 13.211) 13.842 9.029 ( 3.327 2.250 3.385) 5.253 9.204 ( -0.534 -6.413 5.636) 8.555 9.558 ( -8.963 3.783 13.560) 16.689 10.471 ( 7.610 -6.221 5.533) 11.280 10.880 ( -1.707 -11.871 7.058) 13.916 11.137 ( -10.704 -3.479 4.222) 12.021 12.063 ( -3.270 -5.555 -4.603) 7.920 12.892 ( 5.541 9.740 3.723) 11.808 13.290 ( -8.019 9.078 6.563) 13.776 14.141 ( 2.002 -15.968 -1.726) 16.186 14.452 ( 1.867 -3.425 4.201) 5.733 14.976 ( 8.576 5.426 -6.400) 11.998 15.418 ( 1.038 -2.616 -14.498) 14.768 16.668 ( 13.767 -1.186 4.987) 14.691 17.454 ( -23.135 -16.107 4.235) 28.506 18.831 ( 7.029 -2.512 -7.585) 10.642 19.365 ( -9.432 -9.137 -8.060) 15.408 20.938 ( 3.514 4.744 1.009) 5.989 21.983 ( 1.611 -12.144 -11.717) 16.952 23.862 ( -4.812 22.130 13.372) 26.300 25.164 ( -0.700 -6.717 -5.095) 8.459 ======================= Grid point 280 (96/180) ======================= q-point: (-0.50 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 0.000 -1.461 10.452) 10.554 2.978 ( 0.000 6.851 0.811) 6.899 3.050 ( -0.000 -11.870 9.627) 15.283 3.366 ( 0.000 -2.761 -0.954) 2.921 3.820 ( -0.000 2.903 12.545) 12.877 4.208 ( -0.000 9.495 -3.296) 10.050 5.130 ( 0.000 -13.990 -11.210) 17.927 5.582 ( -0.000 -8.036 -9.986) 12.818 6.413 ( 0.000 14.327 9.853) 17.388 6.863 ( -0.000 -1.780 2.310) 2.916 6.957 ( 0.000 2.828 1.012) 3.004 7.189 ( 0.000 12.275 0.722) 12.296 7.668 ( 0.000 10.750 -0.078) 10.750 7.917 ( 0.000 -0.853 -2.553) 2.692 8.712 ( 0.000 2.824 17.310) 17.539 9.053 ( -0.000 -6.653 1.253) 6.770 9.215 ( 0.000 8.875 6.238) 10.848 9.455 ( 0.000 0.568 12.863) 12.876 10.560 ( 0.000 -5.545 4.708) 7.274 10.846 ( -0.000 -14.441 1.227) 14.493 11.039 ( 0.000 -3.485 11.817) 12.320 12.022 ( 0.000 -6.613 -9.173) 11.308 12.968 ( 0.000 14.342 1.438) 14.414 13.188 ( 0.000 6.306 9.574) 11.464 14.153 ( 0.000 -13.048 -0.610) 13.062 14.472 ( 0.000 -4.502 6.970) 8.298 15.068 ( 0.000 6.819 -6.764) 9.604 15.441 ( 0.000 -4.818 -16.404) 17.097 16.981 ( 0.000 -11.074 7.266) 13.245 17.042 ( -0.000 -9.139 4.989) 10.412 18.920 ( 0.000 -3.373 -8.734) 9.363 19.247 ( 0.000 -7.138 -9.731) 12.068 20.977 ( 0.000 3.734 3.314) 4.992 21.997 ( 0.000 -13.418 -12.134) 18.091 23.813 ( 0.000 22.885 13.690) 26.667 25.156 ( 0.000 -6.925 -5.046) 8.568 ======================= Grid point 286 (97/180) ======================= q-point: ( 0.00 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 0.000 18.566 -4.409) 19.082 2.510 ( 0.000 14.896 1.702) 14.993 3.283 ( 0.000 -1.073 -2.948) 3.137 3.645 ( 0.000 -8.300 6.967) 10.837 4.346 ( 0.000 24.386 -2.356) 24.499 4.971 ( 0.000 -1.625 -2.089) 2.647 5.032 ( 0.000 16.703 1.171) 16.744 5.657 ( 0.000 -7.269 0.847) 7.318 5.765 ( 0.000 6.015 12.590) 13.953 6.320 ( 0.000 -4.740 -2.097) 5.184 6.910 ( 0.000 -0.201 8.063) 8.066 6.957 ( 0.000 -0.924 5.459) 5.537 7.802 ( 0.000 2.743 -1.530) 3.141 7.835 ( 0.000 -7.368 -4.511) 8.640 8.060 ( 0.000 -12.752 0.240) 12.754 8.524 ( 0.000 1.872 -10.012) 10.186 9.043 ( 0.000 -3.822 12.528) 13.098 9.732 ( 0.000 -11.393 3.412) 11.893 10.702 ( 0.000 0.995 25.927) 25.946 10.742 ( 0.000 2.794 23.116) 23.284 11.680 ( 0.000 -5.183 8.875) 10.277 11.810 ( 0.000 -9.018 21.154) 22.996 13.086 ( 0.000 9.685 -10.193) 14.060 13.249 ( 0.000 4.554 -8.151) 9.337 14.046 ( 0.000 -2.197 -12.582) 12.773 14.541 ( 0.000 8.531 -1.070) 8.598 14.718 ( 0.000 -22.171 -19.208) 29.334 14.773 ( 0.000 2.774 -12.778) 13.076 17.475 ( 0.000 14.474 1.006) 14.509 17.859 ( 0.000 2.913 -6.546) 7.165 18.999 ( 0.000 -7.863 10.120) 12.816 19.185 ( 0.000 -12.617 17.756) 21.782 21.179 ( 0.000 2.203 -22.959) 23.065 21.323 ( 0.000 -1.406 -15.163) 15.228 24.703 ( 0.000 6.912 0.473) 6.928 25.117 ( 0.000 -6.643 -4.381) 7.957 ======================= Grid point 287 (98/180) ======================= q-point: ( 0.10 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 5.300 18.300 -5.395) 19.801 2.536 ( 2.307 14.963 1.976) 15.268 3.342 ( 5.893 -2.979 -6.610) 9.343 3.605 ( -4.347 -7.711 5.230) 10.281 4.327 ( -1.913 20.554 -2.816) 20.834 4.689 ( -15.959 4.791 0.573) 16.673 5.201 ( 3.475 8.851 2.806) 9.914 5.534 ( -5.573 -4.395 7.700) 10.472 5.915 ( 10.072 5.594 6.587) 13.271 6.383 ( 5.197 -3.531 -0.661) 6.318 6.799 ( -3.206 -3.710 1.733) 5.200 7.097 ( 7.003 1.517 6.610) 9.749 7.723 ( -2.319 3.291 -4.074) 5.728 7.909 ( 1.625 -7.790 0.446) 7.970 8.150 ( 8.629 -10.482 -0.095) 13.577 8.593 ( 6.267 2.643 -6.636) 9.502 9.056 ( 1.299 -3.536 11.336) 11.946 9.762 ( 3.046 -10.905 3.086) 11.736 10.401 ( -14.619 1.693 20.369) 25.129 10.978 ( 6.231 -1.131 25.312) 26.092 11.679 ( 1.889 -3.106 10.037) 10.675 11.892 ( 6.118 -7.245 18.752) 21.013 12.852 ( -13.054 7.775 -7.145) 16.790 13.394 ( 5.275 -1.319 -9.640) 11.068 13.955 ( -6.537 0.441 -10.895) 12.713 14.541 ( -6.652 -2.051 -11.356) 13.320 14.632 ( 6.026 3.849 -2.722) 7.651 15.008 ( 13.149 -9.914 -17.631) 24.125 17.183 ( -19.434 16.299 -1.744) 25.424 18.102 ( 14.428 1.827 -1.915) 14.668 18.673 ( -21.981 -11.041 7.884) 25.831 19.326 ( 5.358 -12.846 15.233) 20.634 21.081 ( -4.959 5.285 -21.196) 22.400 21.475 ( 9.761 -3.569 -14.330) 17.702 24.645 ( -5.429 8.676 1.419) 10.333 25.107 ( -0.953 -6.810 -4.294) 8.107 ======================= Grid point 288 (99/180) ======================= q-point: ( 0.20 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -0.512 14.957 -4.659) 15.674 2.645 ( 9.769 14.544 -0.162) 17.521 3.403 ( -8.194 -2.061 -1.787) 8.637 3.554 ( 6.468 -9.171 -7.397) 13.441 4.257 ( -8.375 10.883 -0.192) 13.734 4.390 ( -9.515 5.669 0.844) 11.108 5.117 ( -8.851 3.285 5.765) 11.061 5.488 ( -1.465 -4.954 6.909) 8.627 6.150 ( 13.111 10.874 6.620) 18.274 6.496 ( 6.024 -0.530 0.760) 6.095 6.838 ( 6.388 -3.291 -0.887) 7.241 7.211 ( 4.395 1.986 1.882) 5.177 7.720 ( 1.487 6.874 -3.224) 7.736 7.927 ( 1.063 -3.419 4.823) 6.007 8.334 ( 8.116 -14.213 -1.092) 16.404 8.749 ( 8.105 2.039 2.939) 8.859 9.096 ( 2.781 -0.073 6.964) 7.499 9.854 ( 5.380 -8.689 3.921) 10.946 10.148 ( -9.663 0.654 15.851) 18.576 10.954 ( -6.546 -5.760 19.510) 21.370 11.675 ( -5.929 2.326 5.866) 8.659 12.007 ( 3.547 -5.026 14.794) 16.022 12.716 ( 1.539 4.224 -0.148) 4.498 13.445 ( 2.748 -15.526 -8.484) 17.905 13.832 ( -6.058 7.930 -4.948) 11.138 14.433 ( -3.971 -3.657 -5.861) 7.969 14.785 ( 8.392 9.356 -5.653) 13.781 15.243 ( 9.269 -8.711 -16.657) 20.958 16.831 ( -13.903 17.837 -1.441) 22.661 18.078 ( -22.394 -14.452 6.010) 27.322 18.470 ( 8.213 -0.502 -2.451) 8.586 19.359 ( -1.553 -14.798 9.921) 17.883 21.019 ( -1.266 8.155 -17.349) 19.212 21.647 ( 6.574 -6.358 -11.444) 14.649 24.507 ( -7.538 12.640 3.419) 15.109 25.080 ( -1.603 -7.251 -4.128) 8.497 ======================= Grid point 289 (100/180) ======================= q-point: ( 0.30 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -2.804 7.320 -0.420) 7.850 2.874 ( 10.377 11.162 -2.376) 15.425 3.173 ( -11.345 1.555 1.678) 11.573 3.653 ( -1.889 -8.868 -8.914) 12.715 3.968 ( -12.276 0.386 6.030) 13.683 4.384 ( 4.108 10.847 -5.228) 12.723 4.938 ( -7.737 -1.105 2.776) 8.294 5.437 ( -2.913 -10.474 -1.905) 11.037 6.412 ( 11.589 12.621 9.958) 19.818 6.639 ( 8.041 1.340 1.444) 8.279 6.988 ( 6.916 3.644 2.097) 8.093 7.294 ( 4.311 3.054 -2.071) 5.675 7.749 ( 0.941 9.425 -0.810) 9.506 7.963 ( 1.972 -1.199 5.080) 5.579 8.468 ( 5.559 -14.471 0.072) 15.502 8.859 ( 1.543 -7.558 12.131) 14.376 9.185 ( 6.391 9.184 1.453) 11.283 9.855 ( -6.348 4.733 13.277) 15.459 10.126 ( 7.836 -9.366 6.139) 13.668 10.790 ( -8.467 -8.564 14.177) 18.601 11.438 ( -15.075 4.968 -0.180) 15.874 11.998 ( -3.943 -7.515 4.179) 9.460 12.851 ( 9.177 3.759 4.363) 10.835 13.577 ( 6.926 -14.146 -0.614) 15.763 13.709 ( -3.266 5.430 -0.421) 6.350 14.371 ( -2.123 -4.727 1.254) 5.331 14.948 ( 7.256 9.248 -8.668) 14.605 15.364 ( 2.780 -3.599 -14.083) 14.799 16.659 ( -2.937 12.074 -0.091) 12.426 17.589 ( -23.348 -17.379 3.630) 29.332 18.652 ( 8.132 0.313 -2.396) 8.484 19.286 ( -5.255 -13.790 2.107) 14.907 21.021 ( 1.164 8.195 -10.780) 13.592 21.731 ( 1.845 -9.534 -9.837) 13.823 24.364 ( -6.186 16.480 5.029) 18.308 25.046 ( -1.629 -7.772 -4.004) 8.893 ======================= Grid point 290 (101/180) ======================= q-point: ( 0.40 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 1.280 2.022 5.515) 6.012 2.909 ( -7.638 -5.681 7.968) 12.414 3.079 ( 2.497 8.410 -4.764) 9.982 3.451 ( -11.764 -3.562 -1.841) 12.429 3.895 ( 1.523 2.607 5.936) 6.660 4.455 ( 1.276 13.481 -8.253) 15.858 4.839 ( -1.618 -10.497 -5.435) 11.931 5.394 ( -1.156 -12.346 -10.855) 16.480 6.589 ( 5.779 10.328 11.043) 16.187 6.789 ( 5.761 1.191 3.799) 7.003 7.093 ( 3.646 11.631 2.640) 12.471 7.377 ( 2.987 7.138 1.064) 7.810 7.781 ( 3.178 6.405 -0.532) 7.170 7.970 ( -1.986 1.478 2.590) 3.583 8.578 ( 5.750 -13.088 3.532) 14.726 8.818 ( -4.594 -12.870 11.196) 17.665 9.334 ( 7.383 12.825 4.679) 15.521 9.716 ( -6.329 10.113 13.025) 17.663 10.307 ( 8.084 -10.370 7.399) 15.088 10.644 ( -5.660 -11.965 9.401) 16.235 11.161 ( -10.483 5.700 -0.456) 11.941 11.886 ( -5.910 -12.000 -6.962) 15.080 13.050 ( 10.143 6.633 4.833) 13.048 13.490 ( -8.527 10.404 3.023) 13.788 13.846 ( 7.878 -12.723 3.389) 15.343 14.351 ( -0.054 -7.299 6.919) 10.057 15.082 ( 6.498 5.061 -9.253) 12.388 15.370 ( -1.939 -1.797 -13.017) 13.282 16.693 ( 5.599 3.266 1.853) 6.741 17.170 ( -17.798 -12.779 3.936) 22.261 18.792 ( 5.798 -0.803 -3.591) 6.867 19.167 ( -5.914 -10.422 -4.570) 12.825 21.055 ( 1.815 7.002 -4.250) 8.389 21.736 ( -0.795 -12.671 -9.906) 16.103 24.268 ( -3.223 18.924 5.736) 20.035 25.019 ( -1.003 -8.153 -3.954) 9.116 ======================= Grid point 291 (102/180) ======================= q-point: (-0.50 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 0.000 2.552 9.946) 10.268 2.797 ( 0.000 -12.692 8.262) 15.144 3.108 ( 0.000 5.978 -4.102) 7.250 3.322 ( 0.000 -2.194 -0.140) 2.199 3.926 ( 0.000 8.337 7.961) 11.528 4.452 ( -0.000 13.118 -9.627) 16.271 4.837 ( 0.000 -14.642 -10.021) 17.742 5.384 ( -0.000 -12.117 -14.291) 18.737 6.647 ( 0.000 9.527 10.391) 14.098 6.849 ( -0.000 0.020 5.554) 5.554 7.133 ( 0.000 14.911 2.196) 15.072 7.402 ( 0.000 9.831 3.839) 10.554 7.869 ( -0.000 -4.130 2.755) 4.964 7.895 ( 0.000 11.064 -2.494) 11.342 8.692 ( 0.000 -4.579 9.723) 10.747 8.713 ( -0.000 -21.906 5.214) 22.518 9.430 ( -0.000 12.818 9.140) 15.743 9.634 ( 0.000 12.446 10.518) 16.295 10.404 ( -0.000 -10.110 9.337) 13.762 10.573 ( 0.000 -13.404 5.869) 14.633 11.055 ( 0.000 5.337 1.390) 5.515 11.815 ( 0.000 -13.788 -11.704) 18.086 13.204 ( 0.000 9.990 2.702) 10.349 13.353 ( 0.000 9.332 6.153) 11.178 13.925 ( -0.000 -8.726 3.885) 9.552 14.352 ( 0.000 -8.638 9.162) 12.592 15.184 ( 0.000 4.393 -7.592) 8.772 15.318 ( -0.000 -5.887 -14.841) 15.966 16.845 ( 0.000 -3.663 3.792) 5.272 16.896 ( -0.000 -5.587 4.037) 6.893 18.864 ( 0.000 -1.777 -3.959) 4.340 19.090 ( 0.000 -8.311 -7.508) 11.200 21.076 ( 0.000 6.511 -1.355) 6.651 21.723 ( 0.000 -14.153 -10.397) 17.562 24.235 ( 0.000 19.729 5.885) 20.588 25.009 ( 0.000 -8.286 -3.946) 9.178 ======================= Grid point 297 (103/180) ======================= q-point: ( 0.00 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 0.000 12.182 -9.276) 15.311 2.665 ( 0.000 -0.118 -8.139) 8.140 3.316 ( 0.000 5.396 5.912) 8.004 3.471 ( 0.000 -9.162 8.411) 12.437 4.733 ( 0.000 14.596 -4.559) 15.291 4.917 ( 0.000 -4.960 -1.709) 5.246 5.301 ( 0.000 10.886 -0.842) 10.919 5.493 ( 0.000 -9.231 -2.325) 9.519 5.943 ( 0.000 11.859 8.287) 14.467 6.175 ( 0.000 -10.324 2.329) 10.583 6.931 ( 0.000 1.640 6.391) 6.598 6.948 ( 0.000 -0.170 4.666) 4.669 7.690 ( 0.000 -4.653 -2.056) 5.087 7.714 ( 0.000 -6.871 -0.157) 6.873 8.092 ( 0.000 11.903 4.284) 12.651 8.368 ( 0.000 -14.325 4.067) 14.891 9.185 ( 0.000 14.017 -0.277) 14.020 9.474 ( 0.000 -14.505 0.176) 14.506 10.745 ( 0.000 2.691 22.590) 22.749 10.777 ( 0.000 0.058 22.250) 22.250 11.622 ( 0.000 -0.238 17.363) 17.365 11.672 ( 0.000 -5.062 21.761) 22.342 13.258 ( 0.000 6.966 -11.422) 13.378 13.319 ( 0.000 1.163 -10.017) 10.084 14.048 ( 0.000 4.398 -15.375) 15.992 14.267 ( 0.000 -17.516 -17.354) 24.657 14.733 ( 0.000 5.713 -5.681) 8.056 14.796 ( 0.000 -0.784 -9.626) 9.658 17.733 ( 0.000 10.867 -0.661) 10.887 17.867 ( 0.000 -2.709 -3.567) 4.479 18.899 ( 0.000 -1.368 13.890) 13.957 18.969 ( 0.000 -8.274 17.404) 19.271 21.230 ( 0.000 2.855 -21.495) 21.683 21.284 ( 0.000 -2.490 -18.537) 18.704 24.838 ( 0.000 7.019 -1.659) 7.212 24.979 ( 0.000 -7.271 -3.282) 7.977 ======================= Grid point 298 (104/180) ======================= q-point: ( 0.10 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 3.782 11.063 -10.784) 15.905 2.716 ( 5.038 2.268 -6.792) 8.756 3.323 ( 1.123 2.338 2.201) 3.402 3.446 ( -2.510 -7.803 6.464) 10.439 4.644 ( -8.436 10.259 -4.086) 13.896 4.745 ( -12.933 0.976 -1.370) 13.042 5.290 ( -5.287 -0.150 0.556) 5.318 5.479 ( -0.223 -0.483 4.144) 4.178 6.072 ( 11.524 10.098 4.962) 16.106 6.267 ( 8.408 -8.508 2.001) 12.128 6.756 ( -5.418 -0.791 1.852) 5.780 7.145 ( 8.919 2.508 5.455) 10.751 7.700 ( 1.460 -3.333 -2.136) 4.220 7.772 ( 4.763 -5.824 2.421) 7.904 8.090 ( 1.239 4.456 1.872) 4.990 8.493 ( 9.579 -8.638 8.739) 15.580 9.203 ( 1.963 13.956 -0.896) 14.122 9.511 ( 3.885 -14.037 -1.354) 14.628 10.444 ( -14.894 1.786 17.236) 22.849 10.947 ( 1.190 -1.426 26.624) 26.689 11.676 ( 7.496 2.399 16.215) 18.024 11.771 ( 6.879 -5.145 20.567) 22.289 13.034 ( -14.021 10.415 -10.832) 20.552 13.271 ( -8.275 -9.912 -11.062) 17.003 14.059 ( 0.940 9.803 -11.963) 15.495 14.317 ( 1.635 -13.931 -10.410) 17.467 14.762 ( 6.420 4.777 -9.631) 12.522 14.912 ( 8.383 -2.039 -11.511) 14.385 17.447 ( -16.137 8.713 -3.467) 18.664 18.112 ( 8.965 -0.686 3.492) 9.646 18.510 ( -21.478 -4.553 7.743) 23.281 19.131 ( 3.805 -5.888 15.679) 17.175 21.164 ( -2.336 2.696 -20.905) 21.207 21.415 ( 7.788 -2.104 -15.710) 17.660 24.806 ( -2.977 7.908 -1.368) 8.560 24.964 ( -1.419 -7.587 -3.050) 8.299 ======================= Grid point 299 (105/180) ======================= q-point: ( 0.20 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( -5.347 6.596 -9.946) 13.078 2.882 ( 10.157 8.157 -4.334) 13.729 3.357 ( -3.432 -2.386 0.748) 4.246 3.391 ( 2.858 -5.595 -4.384) 7.661 4.349 ( -19.374 1.414 1.122) 19.458 4.563 ( -4.404 7.078 -2.431) 8.684 5.139 ( -7.589 -0.168 -0.977) 7.654 5.393 ( -8.882 -3.521 6.866) 11.766 6.351 ( 14.486 8.833 5.373) 17.798 6.471 ( 10.371 -2.972 3.402) 11.312 6.780 ( 8.318 -2.082 -1.983) 8.801 7.303 ( 6.970 5.613 3.777) 9.714 7.748 ( 3.069 -4.054 -1.497) 5.301 7.874 ( 4.492 -2.190 5.856) 7.699 8.152 ( 4.505 -1.149 1.136) 4.786 8.660 ( 5.451 -6.329 12.308) 14.874 9.274 ( 5.141 12.152 -0.782) 13.218 9.646 ( 9.650 -10.855 -3.126) 14.857 10.183 ( -10.698 1.818 14.291) 17.944 10.846 ( -9.064 -3.891 23.908) 25.863 11.753 ( -2.742 4.072 12.757) 13.669 11.923 ( 4.074 -3.310 12.136) 13.223 12.840 ( -2.580 8.192 -4.841) 9.859 13.124 ( -1.604 -14.395 -6.582) 15.909 14.022 ( -5.145 9.047 -6.033) 12.030 14.311 ( -1.629 -7.277 -1.939) 7.705 14.958 ( 10.266 7.844 -11.577) 17.348 15.100 ( 10.005 -6.548 -15.416) 19.510 17.150 ( -12.978 12.429 -2.630) 18.162 17.795 ( -29.246 -11.657 8.791) 32.688 18.494 ( 10.459 1.671 -1.892) 10.759 19.133 ( -2.533 -6.978 11.333) 13.548 21.144 ( 0.071 3.964 -18.426) 18.848 21.543 ( 4.159 -3.495 -10.964) 12.236 24.730 ( -4.211 10.137 -0.661) 10.997 24.925 ( -2.334 -8.490 -2.633) 9.190 ======================= Grid point 300 (106/180) ======================= q-point: ( 0.30 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -7.959 3.711 -5.049) 10.130 2.998 ( -2.407 1.758 4.585) 5.469 3.275 ( -1.795 8.717 -4.648) 10.040 3.472 ( 1.469 -9.508 -9.993) 13.871 3.976 ( -13.266 0.388 3.263) 13.667 4.552 ( 2.769 4.487 -4.020) 6.630 4.983 ( -9.268 7.151 -1.498) 11.802 5.201 ( -7.207 -12.720 -3.418) 15.015 6.586 ( 8.114 4.329 10.464) 13.931 6.674 ( 9.790 1.773 3.690) 10.612 7.048 ( 15.927 1.577 -0.976) 16.034 7.436 ( 6.319 10.232 2.577) 12.299 7.810 ( 2.639 -6.360 1.604) 7.070 7.920 ( -0.144 -1.179 5.742) 5.864 8.260 ( 5.765 -2.681 1.280) 6.486 8.695 ( -1.595 -6.701 9.853) 12.022 9.408 ( 7.976 9.678 1.450) 12.624 9.877 ( 11.730 -5.208 0.503) 12.844 10.012 ( -6.159 0.980 12.796) 14.234 10.636 ( -10.867 -5.512 19.831) 23.276 11.581 ( -12.434 7.955 0.719) 14.779 11.839 ( -10.067 -7.841 -0.094) 12.761 12.918 ( 8.639 2.665 1.581) 9.178 13.303 ( 17.032 -8.797 6.744) 20.322 13.874 ( -8.816 6.594 -2.839) 11.370 14.261 ( -3.111 -5.033 4.321) 7.327 15.106 ( 4.293 5.866 -13.476) 15.312 15.294 ( 7.577 -3.261 -12.762) 15.196 16.922 ( -9.685 14.241 0.105) 17.223 17.257 ( -21.426 -16.009 3.287) 26.948 18.685 ( 7.865 2.295 -1.712) 8.369 19.062 ( -3.913 -7.519 5.102) 9.893 21.159 ( 1.387 4.969 -14.090) 15.004 21.571 ( -1.226 -5.603 -7.748) 9.640 24.649 ( -3.533 12.590 0.015) 13.076 24.876 ( -2.282 -9.608 -2.404) 10.164 ======================= Grid point 301 (107/180) ======================= q-point: ( 0.40 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 0.476 2.037 2.220) 3.050 2.805 ( -14.079 -3.485 10.668) 18.004 3.238 ( -2.696 7.024 -5.266) 9.184 3.364 ( -8.311 -5.168 -4.360) 10.714 3.976 ( 9.974 3.983 -1.574) 10.855 4.577 ( -4.810 -3.796 -2.941) 6.797 4.815 ( -2.823 11.632 -9.581) 15.332 5.128 ( -1.276 -13.941 -12.420) 18.715 6.716 ( 5.318 2.853 11.089) 12.625 6.819 ( 3.834 1.326 6.399) 7.577 7.349 ( 12.708 9.611 2.846) 16.185 7.551 ( 4.405 12.848 1.904) 13.715 7.810 ( -3.083 -1.538 7.755) 8.486 7.921 ( 1.373 -11.729 0.933) 11.846 8.365 ( 4.317 -1.713 1.079) 4.768 8.622 ( -4.816 -7.594 5.598) 10.592 9.581 ( 8.382 10.205 5.957) 14.487 9.890 ( -4.526 4.981 11.968) 13.731 10.111 ( 9.032 -6.798 6.769) 13.176 10.436 ( -8.343 -7.808 15.315) 19.108 11.338 ( -9.764 11.487 -5.490) 16.044 11.623 ( -9.433 -13.760 -8.323) 18.644 13.146 ( 12.821 2.775 3.744) 13.641 13.616 ( 1.102 -1.155 8.859) 9.001 13.730 ( 4.836 3.568 1.635) 6.228 14.192 ( -3.764 -6.973 8.288) 11.466 15.162 ( 2.355 2.606 -13.063) 13.527 15.346 ( -2.613 -0.755 -9.674) 10.049 16.783 ( -2.732 5.459 1.090) 6.201 16.958 ( -9.473 -8.506 2.220) 12.924 18.809 ( 4.562 2.181 -2.758) 5.760 18.988 ( -3.272 -6.707 -1.024) 7.532 21.200 ( 2.479 6.817 -8.751) 11.367 21.511 ( -3.978 -9.006 -7.055) 12.112 24.594 ( -1.862 14.330 0.383) 14.456 24.839 ( -1.358 -10.473 -2.425) 10.836 ======================= Grid point 302 (108/180) ======================= q-point: (-0.50 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -0.000 6.675 9.016) 11.218 2.574 ( 0.000 -10.034 8.180) 12.946 3.205 ( 0.000 3.985 -4.031) 5.669 3.272 ( -0.000 -2.979 -1.839) 3.501 4.148 ( 0.000 13.955 0.579) 13.967 4.442 ( 0.000 -14.604 -6.657) 16.049 4.824 ( 0.000 13.877 -13.023) 19.031 5.118 ( -0.000 -14.821 -15.293) 21.297 6.786 ( 0.000 4.775 10.313) 11.364 6.842 ( 0.000 -1.243 8.736) 8.824 7.511 ( 0.000 21.794 2.472) 21.934 7.582 ( 0.000 8.478 5.445) 10.076 7.761 ( 0.000 -6.146 6.281) 8.788 7.942 ( 0.000 -12.837 1.031) 12.878 8.420 ( 0.000 -0.821 1.979) 2.143 8.553 ( 0.000 -8.927 2.448) 9.257 9.692 ( -0.000 12.903 10.591) 16.693 9.825 ( 0.000 3.330 9.827) 10.376 10.227 ( -0.000 -4.204 12.558) 13.243 10.327 ( 0.000 -11.080 10.420) 15.210 11.235 ( 0.000 12.449 -7.106) 14.334 11.517 ( 0.000 -15.709 -11.655) 19.561 13.368 ( 0.000 6.920 3.396) 7.709 13.459 ( 0.000 -0.724 3.427) 3.503 13.896 ( -0.000 7.305 8.687) 11.350 14.128 ( 0.000 -13.443 9.728) 16.593 15.234 ( 0.000 1.048 -9.344) 9.403 15.249 ( -0.000 -1.374 -11.936) 12.015 16.809 ( 0.000 -0.440 1.771) 1.825 16.823 ( -0.000 -2.034 2.392) 3.140 18.865 ( 0.000 1.991 -2.632) 3.301 18.945 ( 0.000 -6.077 -4.435) 7.523 21.235 ( 0.000 9.783 -5.234) 11.095 21.457 ( 0.000 -12.734 -8.176) 15.132 24.575 ( 0.000 14.944 0.483) 14.952 24.824 ( 0.000 -10.793 -2.482) 11.074 ======================= Grid point 363 (109/180) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 0.000 0.000 21.331) 21.331 1.599 ( 0.000 0.000 19.572) 19.572 3.161 ( 0.000 0.000 -4.431) 4.431 3.238 ( 0.000 0.000 42.684) 42.684 3.591 ( 0.000 0.000 -17.021) 17.021 4.659 ( 0.000 0.000 24.813) 24.813 4.910 ( 0.000 0.000 -17.148) 17.148 5.670 ( 0.000 0.000 9.242) 9.242 5.852 ( 0.000 0.000 3.576) 3.576 6.298 ( 0.000 0.000 -23.143) 23.143 6.671 ( 0.000 0.000 12.364) 12.364 7.244 ( 0.000 0.000 9.946) 9.946 7.464 ( 0.000 0.000 9.755) 9.755 7.600 ( 0.000 0.000 -2.850) 2.850 9.135 ( 0.000 0.000 3.508) 3.508 9.430 ( 0.000 0.000 -7.606) 7.606 9.531 ( 0.000 0.000 -3.829) 3.829 9.608 ( 0.000 0.000 -4.577) 4.577 11.034 ( 0.000 0.000 18.997) 18.997 11.153 ( 0.000 0.000 10.972) 10.972 11.949 ( 0.000 0.000 -10.479) 10.479 12.629 ( 0.000 0.000 -28.971) 28.971 13.221 ( 0.000 0.000 20.720) 20.720 13.261 ( 0.000 0.000 9.678) 9.678 13.445 ( 0.000 0.000 3.316) 3.316 14.218 ( 0.000 0.000 -7.583) 7.583 15.507 ( 0.000 0.000 6.187) 6.187 15.913 ( 0.000 0.000 5.082) 5.082 16.063 ( 0.000 0.000 -10.866) 10.866 16.476 ( 0.000 0.000 -11.951) 11.951 19.762 ( 0.000 0.000 11.453) 11.453 20.440 ( 0.000 0.000 9.628) 9.628 20.562 ( 0.000 0.000 -13.939) 13.939 21.106 ( 0.000 0.000 -10.555) 10.555 24.113 ( 0.000 0.000 18.398) 18.398 25.127 ( 0.000 0.000 -13.194) 13.194 ======================= Grid point 364 (110/180) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 14.275 0.000 17.602) 22.663 1.772 ( 15.659 0.000 17.995) 23.854 3.161 ( 6.842 0.000 15.834) 17.249 3.507 ( -7.684 0.000 -14.368) 16.294 3.515 ( 18.997 0.000 14.466) 23.878 4.667 ( 1.917 0.000 25.314) 25.386 4.821 ( -7.968 0.000 -13.416) 15.604 5.682 ( -0.423 0.000 8.645) 8.655 5.893 ( 3.500 0.000 3.160) 4.716 6.283 ( -0.263 0.000 -19.044) 19.045 6.709 ( 3.414 0.000 9.606) 10.195 7.291 ( 4.100 0.000 8.850) 9.754 7.528 ( 5.897 0.000 6.422) 8.719 7.582 ( -1.456 0.000 -3.004) 3.339 9.127 ( -18.926 0.000 -2.930) 19.151 9.150 ( -0.513 0.000 -2.539) 2.590 9.515 ( -0.503 0.000 3.118) 3.159 9.880 ( 15.813 0.000 -7.715) 17.595 10.827 ( -12.925 0.000 19.167) 23.117 11.309 ( 8.308 0.000 10.204) 13.158 11.902 ( -4.252 0.000 -10.552) 11.377 12.497 ( -12.056 0.000 -24.383) 27.201 12.987 ( -12.256 0.000 22.034) 25.213 13.461 ( 8.478 0.000 12.048) 14.732 13.567 ( 11.862 0.000 -1.076) 11.911 14.300 ( 6.425 0.000 -9.515) 11.481 15.265 ( -28.779 0.000 7.928) 29.851 15.492 ( -1.494 0.000 1.359) 2.020 16.489 ( 1.823 0.000 -4.619) 4.966 16.797 ( 37.595 0.000 -15.523) 40.673 19.547 ( -16.980 0.000 8.796) 19.123 20.275 ( -20.588 0.000 -13.346) 24.536 20.616 ( 13.257 0.000 11.381) 17.472 21.364 ( 17.799 0.000 -12.202) 21.579 24.034 ( -7.155 0.000 21.337) 22.504 25.128 ( 0.136 0.000 -13.445) 13.445 ======================= Grid point 365 (111/180) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 17.355 0.000 11.892) 21.038 2.148 ( 19.323 0.000 13.457) 23.547 3.334 ( -7.549 0.000 -5.603) 9.401 3.372 ( 10.159 0.000 13.786) 17.125 3.940 ( 23.113 0.000 0.497) 23.119 4.620 ( -11.415 0.000 -7.503) 13.660 4.801 ( 12.422 0.000 25.660) 28.509 5.605 ( -7.086 0.000 10.931) 13.027 5.965 ( 2.966 0.000 1.916) 3.531 6.313 ( 2.576 0.000 -12.209) 12.478 6.808 ( 6.662 0.000 3.695) 7.618 7.363 ( 1.168 0.000 5.986) 6.099 7.566 ( 0.915 0.000 -3.345) 3.467 7.673 ( 7.459 0.000 0.428) 7.471 8.737 ( -19.160 0.000 1.366) 19.209 9.041 ( -10.042 0.000 -8.756) 13.323 9.534 ( 1.070 0.000 12.258) 12.305 10.176 ( 13.025 0.000 -8.873) 15.759 10.581 ( -10.604 0.000 21.787) 24.230 11.456 ( 6.603 0.000 6.468) 9.243 11.791 ( -6.636 0.000 -10.794) 12.671 12.214 ( -13.917 0.000 -18.108) 22.838 12.752 ( -10.952 0.000 29.797) 31.746 13.568 ( 2.299 0.000 14.002) 14.190 13.883 ( 17.896 0.000 -6.131) 18.917 14.406 ( 3.008 0.000 -13.483) 13.815 14.864 ( -10.972 0.000 8.232) 13.717 15.440 ( -3.979 0.000 -8.890) 9.739 16.587 ( 8.929 0.000 10.537) 13.812 17.471 ( 28.616 0.000 -20.744) 35.344 19.176 ( -18.916 0.000 5.717) 19.761 19.860 ( -19.504 0.000 -14.400) 24.244 20.873 ( 11.201 0.000 12.731) 16.958 21.700 ( 14.658 0.000 -13.631) 20.017 23.863 ( -8.863 0.000 26.779) 28.208 25.134 ( 0.452 0.000 -14.035) 14.043 ======================= Grid point 366 (112/180) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 19.347 0.000 7.628) 20.796 2.472 ( 11.558 0.000 6.190) 13.111 3.274 ( 2.393 0.000 7.524) 7.896 3.475 ( -0.040 0.000 8.887) 8.887 4.381 ( -11.387 0.000 -0.170) 11.388 4.446 ( 25.897 0.000 -5.924) 26.566 5.146 ( 19.876 0.000 21.554) 29.320 5.426 ( -9.907 0.000 14.224) 17.334 5.997 ( -0.135 0.000 -0.376) 0.399 6.355 ( 1.371 0.000 -6.647) 6.787 6.980 ( 9.915 0.000 -2.352) 10.190 7.308 ( -5.581 0.000 1.920) 5.902 7.630 ( 4.334 0.000 -2.183) 4.853 7.779 ( 1.328 0.000 -3.246) 3.507 8.391 ( -13.436 0.000 3.499) 13.884 8.792 ( -13.458 0.000 -8.341) 15.833 9.503 ( -4.334 0.000 15.815) 16.398 10.392 ( 8.007 0.000 -9.939) 12.763 10.422 ( -5.036 0.000 23.802) 24.329 11.588 ( 6.508 0.000 3.296) 7.295 11.635 ( -8.374 0.000 -11.405) 14.149 11.999 ( -6.738 0.000 -12.788) 14.455 12.545 ( -9.463 0.000 35.807) 37.036 13.586 ( 0.355 0.000 18.468) 18.471 14.222 ( 12.782 0.000 -6.358) 14.276 14.434 ( 2.271 0.000 -18.120) 18.262 14.764 ( -0.796 0.000 4.255) 4.329 15.319 ( -7.974 0.000 -13.712) 15.862 16.869 ( 18.559 0.000 17.458) 25.480 17.954 ( 19.317 0.000 -21.639) 29.007 18.793 ( -18.994 0.000 5.083) 19.662 19.506 ( -15.213 0.000 -15.430) 21.668 21.055 ( 6.712 0.000 13.131) 14.747 21.946 ( 9.583 0.000 -15.031) 17.826 23.701 ( -6.775 0.000 31.292) 32.017 25.146 ( 0.720 0.000 -14.643) 14.661 ======================= Grid point 367 (113/180) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 5.625 0.000 6.276) 8.428 2.799 ( 18.091 0.000 7.139) 19.448 3.363 ( 3.416 0.000 8.152) 8.839 3.394 ( -7.501 0.000 4.092) 8.545 4.211 ( -4.234 0.000 12.370) 13.074 4.931 ( 20.480 0.000 -6.700) 21.548 5.230 ( -8.589 0.000 15.044) 17.323 5.521 ( 15.243 0.000 13.692) 20.489 5.949 ( -4.558 0.000 -3.549) 5.777 6.375 ( 0.749 0.000 -5.307) 5.360 7.187 ( -5.284 0.000 2.669) 5.920 7.189 ( 10.431 0.000 -3.773) 11.092 7.675 ( -10.436 0.000 -1.026) 10.486 7.706 ( 2.787 0.000 -2.813) 3.960 8.250 ( -1.470 0.000 -0.387) 1.520 8.541 ( -10.225 0.000 -8.609) 13.367 9.395 ( -5.015 0.000 19.630) 20.261 10.361 ( -1.519 0.000 24.148) 24.196 10.497 ( 2.682 0.000 -11.521) 11.829 11.492 ( -5.027 0.000 -10.711) 11.832 11.713 ( 5.398 0.000 0.362) 5.410 11.925 ( -1.493 0.000 -9.483) 9.600 12.379 ( -6.555 0.000 40.034) 40.567 13.597 ( 0.654 0.000 22.500) 22.509 14.288 ( -1.852 0.000 -12.361) 12.499 14.623 ( 12.689 0.000 -12.666) 17.929 14.775 ( 1.018 0.000 1.350) 1.691 15.133 ( -9.992 0.000 -13.594) 16.872 17.291 ( 21.454 0.000 13.183) 25.180 18.256 ( 10.540 0.000 -22.393) 24.750 18.408 ( -18.704 0.000 8.627) 20.598 19.257 ( -9.097 0.000 -14.785) 17.360 21.150 ( 2.876 0.000 13.072) 13.385 22.089 ( 4.643 0.000 -16.461) 17.103 23.597 ( -3.481 0.000 34.294) 34.470 25.160 ( 0.568 0.000 -15.042) 15.053 ======================= Grid point 368 (114/180) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( -0.000 0.000 9.706) 9.706 3.065 ( 0.000 0.000 14.926) 14.926 3.238 ( -0.000 0.000 -5.225) 5.225 3.383 ( 0.000 0.000 1.933) 1.933 4.188 ( -0.000 0.000 21.526) 21.526 5.130 ( 0.000 0.000 14.180) 14.180 5.170 ( 0.000 0.000 -5.176) 5.176 5.695 ( -0.000 0.000 7.948) 7.948 5.867 ( 0.000 0.000 -5.163) 5.163 6.384 ( 0.000 0.000 -5.467) 5.467 7.129 ( 0.000 0.000 4.769) 4.769 7.359 ( 0.000 0.000 -3.656) 3.656 7.490 ( 0.000 0.000 0.657) 0.657 7.735 ( 0.000 0.000 -3.567) 3.567 8.247 ( 0.000 0.000 -2.662) 2.662 8.428 ( 0.000 0.000 -8.905) 8.905 9.339 ( 0.000 0.000 21.344) 21.344 10.347 ( 0.000 0.000 24.068) 24.068 10.520 ( 0.000 0.000 -12.366) 12.366 11.441 ( 0.000 0.000 -10.063) 10.063 11.775 ( 0.000 0.000 -2.141) 2.141 11.913 ( 0.000 0.000 -8.405) 8.405 12.305 ( -0.000 0.000 42.920) 42.920 13.605 ( 0.000 0.000 24.107) 24.107 14.262 ( 0.000 0.000 -14.051) 14.051 14.787 ( -0.000 0.000 0.366) 0.366 14.813 ( 0.000 0.000 -7.096) 7.096 14.971 ( 0.000 0.000 -16.706) 16.706 17.587 ( 0.000 0.000 5.375) 5.375 18.145 ( -0.000 0.000 15.433) 15.433 18.367 ( 0.000 0.000 -23.443) 23.443 19.159 ( 0.000 0.000 -13.622) 13.622 21.178 ( 0.000 0.000 12.987) 12.987 22.135 ( 0.000 0.000 -17.120) 17.120 23.562 ( 0.000 0.000 35.404) 35.404 25.166 ( 0.000 0.000 -15.175) 15.175 ======================= Grid point 374 (115/180) ======================= q-point: ( 0.00 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 0.000 1.964 18.952) 19.054 1.669 ( 0.000 12.030 18.539) 22.100 3.172 ( 0.000 1.003 -4.524) 4.634 3.286 ( 0.000 6.365 27.149) 27.885 3.750 ( 0.000 12.750 -7.729) 14.910 4.629 ( 0.000 -2.021 24.865) 24.947 4.881 ( 0.000 -2.547 -16.320) 16.518 5.740 ( 0.000 5.871 8.856) 10.625 5.879 ( 0.000 2.207 3.135) 3.834 6.268 ( 0.000 -2.651 -21.102) 21.268 6.776 ( 0.000 10.224 8.836) 13.514 7.243 ( 0.000 -0.426 10.180) 10.189 7.456 ( 0.000 -0.416 9.527) 9.536 7.597 ( 0.000 -0.108 -3.879) 3.881 8.920 ( 0.000 -16.896 -0.632) 16.908 9.100 ( 0.000 -19.861 -7.741) 21.316 9.708 ( 0.000 5.196 2.119) 5.611 9.801 ( 0.000 13.489 -1.628) 13.587 11.052 ( 0.000 1.624 19.347) 19.416 11.163 ( 0.000 0.884 11.330) 11.364 11.913 ( 0.000 -3.233 -8.614) 9.200 12.635 ( 0.000 0.438 -25.768) 25.772 13.042 ( 0.000 -10.252 13.838) 17.221 13.213 ( 0.000 -5.290 11.471) 12.632 13.695 ( 0.000 17.162 6.689) 18.420 14.213 ( 0.000 -1.217 -5.174) 5.315 14.818 ( 0.000 -35.940 10.330) 37.395 15.793 ( 0.000 -21.727 -16.896) 27.523 16.592 ( 0.000 37.131 -6.978) 37.781 16.662 ( 0.000 13.497 -6.132) 14.824 19.696 ( 0.000 -6.244 10.785) 12.462 20.179 ( 0.000 -15.494 5.258) 16.361 20.727 ( 0.000 6.554 -9.255) 11.341 21.111 ( 0.000 0.321 -10.763) 10.767 24.243 ( 0.000 11.405 14.795) 18.680 25.136 ( 0.000 0.666 -12.103) 12.122 ======================= Grid point 375 (116/180) ======================= q-point: ( 0.10 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 12.237 1.357 16.442) 20.541 1.833 ( 13.788 8.010 17.496) 23.673 3.202 ( 5.954 3.558 6.656) 9.613 3.407 ( 4.881 -0.726 0.326) 4.945 3.741 ( 2.645 12.563 2.611) 13.102 4.630 ( 0.059 -2.715 19.881) 20.065 4.838 ( -3.122 1.512 -7.616) 8.369 5.719 ( -1.957 3.396 8.518) 9.377 5.910 ( 1.830 1.373 3.052) 3.814 6.300 ( 3.544 0.836 -18.736) 19.087 6.779 ( 0.494 7.556 7.834) 10.895 7.293 ( 4.222 -0.253 8.574) 9.561 7.435 ( -1.028 -5.301 4.390) 6.959 7.678 ( 6.819 6.027 -0.886) 9.144 8.710 ( -13.935 -20.793 -5.594) 25.648 9.281 ( 10.412 -13.803 0.185) 17.291 9.564 ( -9.596 12.757 0.506) 15.971 9.950 ( 10.022 4.820 -0.992) 11.165 10.823 ( -13.828 -0.455 18.727) 23.284 11.324 ( 7.367 1.482 11.529) 13.761 11.874 ( -3.544 -2.589 -9.086) 10.090 12.496 ( -11.838 0.330 -19.204) 22.562 12.942 ( -7.170 -4.875 16.058) 18.249 13.356 ( 9.668 -5.288 8.872) 14.147 13.755 ( 6.417 12.738 2.691) 14.515 14.293 ( 6.019 -1.629 -7.132) 9.473 14.723 ( -6.475 -28.674 8.885) 30.709 15.908 ( 3.694 2.469 -3.601) 5.719 16.078 ( -16.671 -6.689 -12.323) 21.784 17.234 ( 28.178 25.281 -10.159) 39.196 19.454 ( -17.734 -8.335 7.587) 21.012 20.298 ( -6.978 -0.539 -6.274) 9.399 20.515 ( 1.047 -6.701 4.083) 7.916 21.382 ( 17.281 0.741 -11.185) 20.599 24.160 ( -7.542 11.221 17.836) 22.381 25.135 ( -0.057 0.488 -12.369) 12.379 ======================= Grid point 376 (117/180) ======================= q-point: ( 0.20 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 15.754 -0.287 10.543) 18.959 2.172 ( 18.632 2.872 15.054) 24.125 3.246 ( -4.886 -2.196 -1.842) 5.665 3.506 ( 8.279 6.295 3.630) 11.016 3.942 ( 15.585 0.573 0.825) 15.618 4.559 ( -7.900 -4.607 -0.540) 9.161 4.881 ( 8.989 6.670 18.952) 22.011 5.652 ( -4.452 4.185 10.781) 12.392 5.931 ( 0.260 -1.652 1.203) 2.060 6.405 ( 6.065 5.783 -13.682) 16.045 6.807 ( 2.492 2.033 4.448) 5.489 7.347 ( -0.309 -3.500 1.887) 3.989 7.461 ( 4.185 -4.051 3.772) 6.939 7.837 ( 8.116 11.209 -1.311) 13.901 8.418 ( -14.332 -18.745 -4.944) 24.108 9.317 ( -11.604 8.570 3.081) 14.751 9.463 ( 3.533 -1.352 3.891) 5.427 10.160 ( 9.657 -1.237 -2.319) 10.008 10.569 ( -10.081 -1.372 20.322) 22.726 11.415 ( 2.104 -3.217 7.285) 8.237 11.775 ( -6.416 -2.456 -9.372) 11.620 12.248 ( -10.872 4.003 -12.484) 17.032 12.776 ( -8.724 1.403 22.206) 23.899 13.517 ( 5.182 -3.340 12.920) 14.315 13.958 ( 13.246 5.801 -5.470) 15.460 14.379 ( 1.690 -3.929 -12.472) 13.185 14.664 ( 1.345 -13.838 7.527) 15.810 15.591 ( -17.083 8.462 -9.612) 21.350 16.274 ( 17.864 -20.670 2.775) 27.461 17.735 ( 21.004 18.547 -13.829) 31.247 19.083 ( -18.349 -8.477 4.948) 20.810 19.923 ( -20.704 4.804 -13.667) 25.269 20.754 ( 13.210 -10.274 11.249) 20.164 21.698 ( 13.496 -0.816 -12.206) 18.215 23.977 ( -9.577 10.494 23.646) 27.586 25.135 ( 0.082 -0.053 -13.007) 13.007 ======================= Grid point 377 (118/180) ======================= q-point: ( 0.30 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 15.764 -3.077 5.620) 17.016 2.519 ( 14.624 2.844 9.352) 17.590 3.184 ( 1.562 -5.140 4.701) 7.138 3.594 ( -0.680 8.369 8.218) 11.749 4.218 ( 1.543 -11.041 -4.922) 12.187 4.477 ( 9.546 -1.615 0.021) 9.682 5.081 ( 6.521 -2.652 17.501) 18.864 5.607 ( 2.964 12.839 14.263) 19.418 5.915 ( -2.134 -4.239 -1.717) 5.047 6.512 ( 4.040 11.044 -7.935) 14.186 6.885 ( 5.037 -5.716 -0.961) 7.679 7.311 ( -2.412 -1.839 0.309) 3.049 7.540 ( 2.263 -5.055 0.669) 5.579 7.924 ( -3.316 6.834 -1.583) 7.759 8.214 ( -1.476 -4.914 -3.654) 6.299 9.049 ( -13.907 16.121 1.639) 21.353 9.471 ( -2.874 -2.936 10.852) 11.603 10.256 ( -1.112 -8.750 7.359) 11.487 10.494 ( 3.071 2.589 9.600) 10.407 11.433 ( -0.601 -9.468 0.852) 9.526 11.630 ( -5.802 -4.987 -7.014) 10.379 12.086 ( -5.744 7.518 -7.326) 11.966 12.612 ( -7.013 6.289 26.958) 28.556 13.568 ( 0.518 -1.458 18.712) 18.776 14.231 ( 10.684 0.268 -8.689) 13.773 14.394 ( 2.439 -3.843 -15.525) 16.178 14.731 ( 4.024 -2.996 3.270) 5.989 15.317 ( -10.505 -0.659 -12.750) 16.533 16.685 ( 22.475 -14.173 11.347) 28.892 18.070 ( 11.378 7.960 -15.622) 20.901 18.729 ( -15.926 -5.628 4.377) 17.449 19.539 ( -16.784 2.476 -14.995) 22.642 20.980 ( 8.903 -6.645 11.814) 16.217 21.920 ( 8.487 -2.731 -13.913) 16.524 23.801 ( -7.461 9.416 28.506) 30.934 25.139 ( 0.310 -0.816 -13.678) 13.705 ======================= Grid point 378 (119/180) ======================= q-point: ( 0.40 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 6.607 -3.311 6.799) 10.042 2.813 ( 15.706 1.182 7.385) 17.396 3.287 ( 5.261 -3.765 3.672) 7.439 3.483 ( -9.454 4.770 6.191) 12.266 4.150 ( -1.468 -5.485 10.075) 11.565 4.740 ( 6.584 -15.615 7.432) 18.504 5.139 ( 4.678 -4.569 -0.407) 6.552 5.764 ( 5.906 5.334 6.432) 10.232 5.857 ( -0.459 5.040 1.624) 5.315 6.561 ( 0.809 14.596 -4.489) 15.292 6.995 ( 5.559 -9.983 -1.755) 11.561 7.264 ( -2.370 -1.694 0.451) 2.947 7.523 ( -3.504 -6.699 0.080) 7.560 7.784 ( -5.877 2.202 -3.463) 7.168 8.319 ( 8.122 10.855 -2.927) 13.869 8.774 ( -12.833 17.405 -1.157) 21.656 9.388 ( -4.018 -0.914 17.678) 18.152 10.214 ( -1.723 -11.559 13.659) 17.976 10.569 ( 2.648 3.996 0.166) 4.796 11.359 ( -4.845 -10.433 -7.148) 13.543 11.642 ( 5.860 -8.397 1.404) 10.336 11.971 ( -6.367 4.493 -3.572) 8.572 12.506 ( -3.339 11.302 27.043) 29.499 13.559 ( -1.002 -3.509 21.158) 21.470 14.290 ( -0.654 -0.754 -14.243) 14.278 14.572 ( 10.807 -3.477 -6.622) 13.143 14.796 ( 1.896 1.050 -1.251) 2.503 15.142 ( -7.131 0.857 -13.728) 15.493 17.161 ( 23.661 -11.556 10.904) 28.500 18.096 ( -10.911 -11.817 -5.919) 17.138 18.538 ( -0.822 7.931 -4.443) 9.128 19.262 ( -10.167 0.182 -14.733) 17.902 21.113 ( 4.299 -3.373 12.263) 13.425 22.044 ( 3.918 -4.469 -15.863) 16.940 23.685 ( -3.857 8.561 31.611) 32.976 25.146 ( 0.300 -1.485 -14.129) 14.211 ======================= Grid point 379 (120/180) ======================= q-point: (-0.50 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -0.000 -3.270 10.453) 10.952 3.064 ( 0.000 -0.208 13.831) 13.832 3.249 ( -0.000 0.864 -6.182) 6.242 3.385 ( 0.000 0.135 1.805) 1.810 4.160 ( -0.000 -2.593 19.847) 20.016 4.750 ( 0.000 -21.939 14.836) 26.484 5.251 ( 0.000 -3.326 -11.022) 11.512 5.735 ( 0.000 -10.344 -8.782) 13.569 5.931 ( -0.000 19.289 12.453) 22.960 6.562 ( 0.000 14.636 -4.014) 15.176 7.077 ( 0.000 -5.365 2.978) 6.136 7.218 ( 0.000 -11.764 -1.693) 11.886 7.475 ( 0.000 0.498 1.060) 1.171 7.727 ( 0.000 1.094 -6.602) 6.692 8.460 ( 0.000 17.364 1.198) 17.405 8.584 ( -0.000 13.958 -5.851) 15.134 9.343 ( 0.000 0.188 20.434) 20.435 10.197 ( 0.000 -12.277 14.119) 18.710 10.593 ( 0.000 4.441 -2.059) 4.895 11.305 ( 0.000 -11.101 -7.457) 13.373 11.762 ( 0.000 -11.869 5.956) 13.280 11.853 ( -0.000 5.239 -4.857) 7.144 12.474 ( -0.000 13.534 25.934) 29.253 13.545 ( 0.000 -5.299 21.191) 21.844 14.281 ( 0.000 0.713 -13.381) 13.400 14.711 ( 0.000 -5.245 -0.891) 5.320 14.805 ( -0.000 -0.004 -4.792) 4.792 15.054 ( 0.000 5.637 -15.563) 16.553 17.516 ( 0.000 -6.848 5.470) 8.765 17.847 ( -0.000 -20.551 5.619) 21.305 18.561 ( 0.000 10.427 -11.903) 15.824 19.153 ( 0.000 -0.911 -13.714) 13.745 21.156 ( 0.000 -2.021 12.473) 12.635 22.083 ( 0.000 -5.218 -16.768) 17.561 23.646 ( 0.000 8.256 32.712) 33.738 25.149 ( 0.000 -1.752 -14.282) 14.389 ======================= Grid point 385 (121/180) ======================= q-point: ( 0.00 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 0.000 7.673 14.307) 16.234 1.965 ( 0.000 16.819 12.068) 20.701 3.194 ( 0.000 1.243 -3.869) 4.064 3.494 ( 0.000 13.994 9.211) 16.753 3.965 ( 0.000 7.145 0.982) 7.213 4.644 ( 0.000 5.188 21.988) 22.592 4.835 ( 0.000 -1.571 -14.125) 14.212 5.852 ( 0.000 4.994 9.970) 11.151 5.895 ( 0.000 -2.012 -1.454) 2.482 6.233 ( 0.000 0.250 -12.686) 12.689 7.000 ( 0.000 9.341 3.641) 10.026 7.215 ( 0.000 -2.605 9.523) 9.873 7.497 ( 0.000 6.778 6.247) 9.218 7.607 ( 0.000 1.469 -4.462) 4.698 8.579 ( 0.000 -16.913 -4.013) 17.382 8.707 ( 0.000 -19.985 -7.074) 21.199 9.720 ( 0.000 -4.198 9.693) 10.563 9.991 ( 0.000 5.207 1.621) 5.453 11.091 ( 0.000 2.306 20.876) 21.002 11.180 ( 0.000 0.553 13.790) 13.801 11.856 ( 0.000 -1.632 -3.589) 3.943 12.619 ( 0.000 -3.702 -10.666) 11.290 12.892 ( 0.000 -4.950 8.064) 9.462 13.063 ( 0.000 -7.796 11.138) 13.595 14.027 ( 0.000 16.112 3.571) 16.503 14.091 ( 0.000 -11.326 1.612) 11.440 14.420 ( 0.000 -4.529 -8.257) 9.417 15.307 ( 0.000 -26.987 -22.395) 35.069 16.936 ( 0.000 14.380 -0.714) 14.397 17.189 ( 0.000 23.932 -11.390) 26.504 19.541 ( 0.000 -8.957 10.045) 13.459 19.913 ( 0.000 -11.434 7.599) 13.729 20.779 ( 0.000 -0.581 -11.844) 11.859 21.107 ( 0.000 -0.995 -11.962) 12.003 24.474 ( 0.000 10.609 9.373) 14.157 25.139 ( 0.000 -0.703 -9.779) 9.804 ======================= Grid point 386 (122/180) ======================= q-point: ( 0.10 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 9.300 5.622 13.322) 17.193 2.058 ( 8.204 13.815 12.396) 20.294 3.244 ( 5.452 0.339 -5.352) 7.648 3.501 ( -1.301 9.340 -0.345) 9.436 3.944 ( -0.312 7.340 5.933) 9.443 4.597 ( -4.145 -0.085 10.302) 11.105 4.899 ( 5.581 5.569 1.296) 7.990 5.784 ( -4.156 1.878 6.940) 8.304 5.931 ( 1.477 0.796 2.123) 2.707 6.310 ( 6.497 0.947 -11.416) 13.169 6.950 ( -3.104 6.128 2.493) 7.308 7.282 ( 4.323 -0.204 6.868) 8.118 7.368 ( -5.151 0.013 3.136) 6.031 7.813 ( 13.145 8.344 -0.957) 15.599 8.358 ( -12.231 -14.646 -5.296) 19.803 8.928 ( 12.021 -20.224 -3.943) 23.855 9.685 ( -3.418 -1.697 8.111) 8.964 10.040 ( 4.733 3.376 3.442) 6.756 10.810 ( -15.899 -0.816 18.128) 24.126 11.364 ( 5.624 2.723 15.947) 17.127 11.826 ( -2.943 -1.633 -5.518) 6.463 12.517 ( -8.900 1.169 -8.589) 12.424 12.798 ( -2.791 -9.024 13.440) 16.427 13.268 ( 12.697 -3.652 5.648) 14.369 13.992 ( -0.252 8.536 1.879) 8.744 14.122 ( 0.687 -12.128 -2.696) 12.443 14.448 ( 3.624 0.021 -4.372) 5.679 15.428 ( 9.375 -27.831 -19.154) 35.061 16.433 ( -26.272 20.413 -3.206) 33.425 17.653 ( 24.154 17.237 -8.245) 30.797 19.264 ( -19.148 -10.498 6.956) 22.918 20.143 ( 11.560 -12.711 10.480) 20.125 20.496 ( -15.508 2.773 -14.323) 21.292 21.366 ( 16.015 -2.492 -10.703) 19.423 24.394 ( -7.294 11.229 11.953) 17.949 25.134 ( -0.456 -0.898 -10.023) 10.073 ======================= Grid point 387 (123/180) ======================= q-point: ( 0.20 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 13.075 1.264 9.641) 16.295 2.277 ( 13.556 7.899 12.059) 19.788 3.256 ( -7.271 2.225 -5.839) 9.588 3.570 ( 11.145 0.200 -6.189) 12.749 3.979 ( 2.914 3.442 5.344) 6.993 4.476 ( -7.359 -3.452 2.842) 8.611 5.030 ( 5.831 8.083 14.166) 17.321 5.717 ( -1.827 0.862 6.219) 6.538 5.950 ( 0.856 4.205 3.715) 5.676 6.451 ( 7.038 0.189 -9.330) 11.689 6.917 ( -0.054 5.613 0.930) 5.690 7.276 ( -1.608 0.085 -2.811) 3.239 7.390 ( 2.933 -4.882 6.432) 8.591 8.051 ( 4.752 6.388 -0.451) 7.974 8.175 ( -0.433 -1.075 -3.549) 3.733 9.120 ( 6.482 -17.403 1.421) 18.625 9.590 ( -5.813 2.246 5.035) 8.012 10.155 ( 4.572 0.830 6.222) 7.766 10.524 ( -10.323 -3.008 17.081) 20.184 11.362 ( -4.227 -1.793 10.608) 11.559 11.708 ( -9.322 -3.215 -6.064) 11.576 12.354 ( -6.633 5.508 -2.695) 9.033 12.769 ( -0.784 -2.174 13.235) 13.435 13.484 ( 7.546 0.218 9.777) 12.352 14.065 ( 7.471 4.154 -6.731) 10.881 14.145 ( 2.464 -17.629 -8.213) 19.603 14.553 ( 6.253 1.970 1.745) 6.784 15.487 ( -7.806 -17.987 -14.331) 24.287 16.170 ( 4.825 10.219 -0.655) 11.320 18.042 ( 13.643 12.098 -8.375) 20.066 18.878 ( -17.845 -11.927 4.835) 22.002 19.961 ( -20.287 -3.062 -8.548) 22.227 20.576 ( 14.303 -5.292 3.645) 15.681 21.652 ( 11.803 -3.957 -10.541) 16.312 24.213 ( -9.788 12.249 17.271) 23.327 25.122 ( -0.686 -1.498 -10.657) 10.784 ======================= Grid point 388 (124/180) ======================= q-point: ( 0.30 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 12.897 -2.743 5.330) 14.222 2.577 ( 14.638 3.710 9.695) 17.945 3.133 ( -1.607 -0.066 0.253) 1.628 3.728 ( -0.328 3.218 2.362) 4.005 4.021 ( 0.555 -6.908 -4.536) 8.282 4.392 ( 1.890 -5.652 5.272) 7.956 5.063 ( -2.429 -0.360 10.110) 10.404 5.695 ( -2.189 -4.479 -0.897) 5.065 6.018 ( 7.373 14.243 9.291) 18.535 6.601 ( 8.081 -0.991 -7.569) 11.116 6.931 ( 0.808 8.899 1.164) 9.011 7.244 ( -2.861 -3.604 -1.478) 4.834 7.422 ( 1.241 -5.467 -0.819) 5.665 7.966 ( -5.494 2.276 0.743) 5.993 8.373 ( 12.051 15.053 -1.241) 19.323 9.184 ( -0.226 -5.794 9.808) 11.394 9.454 ( -7.197 2.381 1.147) 7.667 10.103 ( -7.832 -5.221 14.120) 16.970 10.505 ( 6.047 -1.790 8.215) 10.356 11.266 ( -4.467 -7.244 4.732) 9.737 11.493 ( -9.595 -7.258 -4.241) 12.757 12.214 ( -7.915 4.050 -0.707) 8.919 12.760 ( -0.112 8.063 14.000) 16.156 13.548 ( -1.000 -0.085 16.828) 16.858 14.177 ( 2.405 -9.533 -19.845) 22.147 14.296 ( 11.965 -2.851 -3.822) 12.880 14.700 ( 7.933 0.949 3.011) 8.538 15.269 ( -9.513 -4.549 -12.669) 16.483 16.473 ( 20.494 -5.466 4.282) 21.638 18.136 ( -6.806 -2.825 -5.943) 9.467 18.627 ( -4.130 -3.452 1.282) 5.534 19.559 ( -18.382 -1.296 -12.622) 22.336 20.848 ( 11.847 -5.581 7.040) 14.868 21.836 ( 6.426 -5.840 -11.901) 14.732 24.028 ( -7.984 12.775 21.958) 26.629 25.109 ( -0.565 -2.380 -11.379) 11.639 ======================= Grid point 389 (125/180) ======================= q-point: ( 0.40 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 7.226 -4.242 7.857) 11.487 2.842 ( 12.539 1.930 6.539) 14.273 3.224 ( 7.978 -3.018 0.830) 8.570 3.542 ( -14.327 0.471 4.077) 14.903 4.049 ( 2.749 -3.315 5.633) 7.091 4.445 ( -1.461 -13.125 12.544) 18.214 5.038 ( 2.602 -6.408 -6.666) 9.606 5.604 ( -5.885 -10.639 -10.657) 16.167 6.210 ( 9.223 19.119 12.717) 24.746 6.773 ( 8.107 1.084 -5.355) 9.776 6.934 ( -0.219 9.626 1.305) 9.716 7.137 ( -6.929 -7.788 0.168) 10.426 7.478 ( 4.143 1.417 -1.329) 4.575 7.859 ( -5.389 5.503 -1.309) 7.813 8.611 ( 11.539 16.638 0.648) 20.258 9.086 ( -9.421 11.910 7.155) 16.787 9.350 ( -2.288 -2.756 9.806) 10.440 9.965 ( -4.895 -12.497 12.468) 18.319 10.619 ( 3.930 0.871 4.473) 6.018 11.152 ( -6.548 -9.998 -3.174) 12.365 11.433 ( 3.785 -11.643 5.602) 13.464 12.035 ( -9.186 0.696 -3.025) 9.696 12.761 ( 0.090 13.652 13.750) 19.376 13.484 ( -3.851 -3.249 16.919) 17.653 14.218 ( 1.752 -6.831 -14.539) 16.159 14.522 ( 9.186 -1.593 -1.435) 9.433 14.827 ( 3.452 2.786 -0.799) 4.507 15.149 ( -2.550 -0.739 -14.593) 14.833 16.922 ( 23.110 -11.171 7.447) 26.727 17.833 ( -19.704 -14.662 1.218) 24.591 18.658 ( 3.848 4.115 -5.918) 8.171 19.246 ( -11.943 -2.109 -13.620) 18.236 21.039 ( 6.773 -3.605 9.208) 11.986 21.920 ( 2.196 -8.079 -14.299) 16.569 23.903 ( -4.225 12.881 24.843) 28.301 25.100 ( -0.284 -3.186 -11.897) 12.319 ======================= Grid point 390 (126/180) ======================= q-point: (-0.50 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -0.000 -3.631 11.593) 12.148 3.055 ( 0.000 -0.563 10.861) 10.876 3.246 ( -0.000 -2.092 -7.137) 7.438 3.382 ( 0.000 -0.640 1.376) 1.517 4.101 ( -0.000 -3.072 15.804) 16.100 4.378 ( 0.000 -14.321 15.354) 20.996 5.105 ( 0.000 -10.674 -14.871) 18.306 5.523 ( -0.000 -11.196 -14.180) 18.067 6.315 ( -0.000 18.646 12.471) 22.432 6.857 ( 0.000 12.145 -4.049) 12.802 6.976 ( -0.000 -0.974 2.077) 2.294 7.014 ( 0.000 -7.033 -0.096) 7.033 7.542 ( 0.000 5.909 2.375) 6.368 7.783 ( 0.000 4.051 -5.815) 7.087 8.813 ( 0.000 17.039 6.497) 18.236 8.894 ( -0.000 15.891 -1.324) 15.946 9.334 ( 0.000 -1.228 16.791) 16.836 9.915 ( 0.000 -15.692 10.189) 18.710 10.658 ( 0.000 2.018 2.853) 3.495 11.074 ( 0.000 -11.666 -4.144) 12.380 11.513 ( 0.000 -13.075 12.027) 17.766 11.912 ( -0.000 -0.258 -7.891) 7.895 12.762 ( 0.000 15.140 13.372) 20.199 13.439 ( 0.000 -4.374 16.055) 16.640 14.238 ( 0.000 -5.463 -10.524) 11.857 14.624 ( 0.000 -3.426 -0.071) 3.426 14.849 ( -0.000 4.701 -2.271) 5.221 15.133 ( 0.000 1.713 -16.133) 16.224 17.343 ( 0.000 -10.204 5.386) 11.538 17.445 ( -0.000 -19.407 6.368) 20.425 18.709 ( 0.000 4.863 -8.758) 10.018 19.114 ( 0.000 -3.133 -13.262) 13.627 21.110 ( 0.000 -2.404 10.355) 10.630 21.939 ( 0.000 -9.244 -15.668) 18.191 23.860 ( 0.000 12.876 25.805) 28.839 25.098 ( 0.000 -3.513 -12.078) 12.579 ======================= Grid point 396 (127/180) ======================= q-point: ( 0.00 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 0.000 11.980 5.468) 13.168 2.275 ( 0.000 13.561 2.904) 13.869 3.230 ( 0.000 2.928 0.349) 2.948 3.766 ( 0.000 10.338 -2.274) 10.586 4.048 ( 0.000 5.219 9.071) 10.465 4.828 ( 0.000 0.725 -11.586) 11.609 4.839 ( 0.000 13.306 13.582) 19.014 5.787 ( 0.000 -8.099 -6.481) 10.373 5.935 ( 0.000 3.701 11.419) 12.004 6.278 ( 0.000 3.063 -3.408) 4.583 7.073 ( 0.000 -0.341 5.434) 5.445 7.144 ( 0.000 -4.227 7.077) 8.244 7.669 ( 0.000 5.123 -1.951) 5.482 7.725 ( 0.000 12.456 -1.167) 12.510 8.298 ( 0.000 -9.897 -7.151) 12.211 8.333 ( 0.000 -17.785 -4.812) 18.425 9.562 ( 0.000 -11.122 14.067) 17.933 9.984 ( 0.000 -5.930 2.007) 6.261 11.142 ( 0.000 2.789 21.746) 21.924 11.178 ( 0.000 -0.653 17.692) 17.704 11.868 ( 0.000 2.845 5.805) 6.465 12.460 ( 0.000 -10.606 15.532) 18.808 12.848 ( 0.000 0.454 0.868) 0.980 13.007 ( 0.000 1.672 -4.475) 4.778 13.899 ( 0.000 -8.029 -9.268) 12.262 14.307 ( 0.000 12.140 -1.063) 12.187 14.436 ( 0.000 3.489 -11.144) 11.677 14.768 ( 0.000 -27.326 -24.479) 36.687 17.225 ( 0.000 15.070 2.333) 15.249 17.550 ( 0.000 13.717 -8.801) 16.297 19.367 ( 0.000 -8.339 10.803) 13.647 19.719 ( 0.000 -9.083 11.149) 14.381 20.739 ( 0.000 -2.529 -16.484) 16.677 21.067 ( 0.000 -3.160 -14.551) 14.890 24.635 ( 0.000 6.064 5.559) 8.227 25.100 ( 0.000 -3.341 -7.602) 8.304 ======================= Grid point 397 (128/180) ======================= q-point: ( 0.10 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 5.814 10.483 4.912) 12.954 2.330 ( 4.794 12.765 4.774) 14.447 3.245 ( 2.588 0.593 -3.984) 4.787 3.681 ( -8.359 6.417 -5.144) 11.726 4.060 ( 1.320 7.042 8.399) 11.039 4.623 ( -9.532 2.309 0.889) 9.848 5.064 ( 10.343 10.568 5.759) 15.869 5.740 ( -4.209 -6.080 -0.392) 7.405 5.973 ( 3.982 3.649 6.633) 8.554 6.349 ( 5.753 2.471 -3.851) 7.351 6.950 ( -5.707 -3.872 3.669) 7.812 7.242 ( 3.975 -3.172 6.096) 7.939 7.497 ( -6.173 10.154 -3.081) 12.276 7.983 ( 11.746 4.302 -0.369) 12.514 8.177 ( -0.787 0.065 -2.876) 2.983 8.530 ( 10.787 -19.304 -5.879) 22.882 9.549 ( -1.304 -10.630 12.643) 16.569 10.017 ( 3.396 -6.415 3.063) 7.878 10.794 ( -17.216 -0.840 18.062) 24.967 11.433 ( 5.092 4.020 21.519) 22.475 11.822 ( -3.454 1.266 0.939) 3.797 12.471 ( 0.207 -6.857 14.506) 16.047 12.688 ( -5.955 0.081 2.709) 6.543 13.227 ( 13.736 -0.707 -3.148) 14.109 13.833 ( -4.793 -11.072 -9.388) 15.288 14.220 ( -4.925 8.413 -8.100) 12.675 14.517 ( 5.773 4.897 -3.127) 8.190 14.920 ( 11.700 -23.268 -22.376) 34.336 16.814 ( -23.841 18.638 -1.462) 30.297 17.918 ( 20.388 10.396 -4.399) 23.304 19.056 ( -22.075 -10.567 7.958) 25.735 19.883 ( 6.007 -13.340 13.010) 19.578 20.560 ( -8.367 3.579 -19.036) 21.100 21.290 ( 14.539 -5.028 -11.955) 19.483 24.574 ( -5.716 7.152 7.173) 11.631 25.092 ( -0.746 -3.430 -7.739) 8.498 ======================= Grid point 398 (129/180) ======================= q-point: ( 0.20 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 7.742 5.967 3.809) 10.491 2.462 ( 8.719 10.216 6.385) 14.872 3.295 ( -2.897 1.143 -6.515) 7.221 3.540 ( 0.667 -2.508 -9.329) 9.683 4.082 ( -0.047 7.168 5.933) 9.305 4.431 ( -9.429 -1.194 3.277) 10.054 5.166 ( -1.973 4.669 8.244) 9.678 5.670 ( -3.075 -4.815 0.551) 5.740 6.081 ( 7.716 8.427 6.286) 13.041 6.474 ( 6.615 2.352 -2.994) 7.633 6.924 ( 3.289 -2.971 1.660) 4.734 7.263 ( -1.723 -4.115 2.199) 4.974 7.438 ( -0.313 11.503 -4.399) 12.320 8.040 ( -0.247 -0.822 2.666) 2.800 8.389 ( 14.814 13.805 0.464) 20.255 8.744 ( 10.424 -19.153 -3.454) 22.078 9.505 ( -3.171 -9.100 10.161) 14.004 10.120 ( 6.049 -6.510 5.528) 10.465 10.477 ( -13.356 -1.108 16.263) 21.073 11.353 ( -9.409 0.765 14.315) 17.147 11.679 ( -12.064 0.518 -1.109) 12.126 12.409 ( -6.922 -0.964 8.974) 11.375 12.733 ( 8.487 -0.111 8.736) 12.180 13.508 ( 12.868 0.257 1.242) 12.930 13.759 ( -1.414 -16.648 -8.197) 18.611 14.185 ( 2.256 6.055 -10.213) 12.085 14.631 ( 5.406 4.477 0.168) 7.021 15.123 ( 6.301 -16.938 -18.224) 25.666 16.458 ( -8.944 16.993 -1.350) 19.251 18.210 ( 4.479 5.131 -3.085) 7.477 18.631 ( -15.263 -12.694 5.150) 20.509 19.791 ( -13.264 -12.558 1.728) 18.347 20.576 ( 8.509 3.980 -9.114) 13.088 21.549 ( 10.405 -6.262 -10.100) 15.795 24.428 ( -8.059 9.533 10.778) 16.492 25.071 ( -1.293 -3.748 -8.180) 9.090 ======================= Grid point 399 (130/180) ======================= q-point: ( 0.30 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 8.482 -0.378 3.711) 9.266 2.680 ( 11.895 6.682 4.761) 14.450 3.163 ( -5.077 2.672 -0.135) 5.739 3.646 ( 2.162 -9.269 -9.494) 13.444 4.027 ( -3.824 5.103 2.604) 6.888 4.297 ( -2.721 -3.206 6.373) 7.635 5.031 ( -8.982 -3.251 3.398) 10.139 5.549 ( -8.572 -9.727 -6.583) 14.541 6.312 ( 13.568 14.581 8.544) 21.673 6.628 ( 8.607 4.648 0.872) 9.821 7.018 ( 3.576 -0.527 2.567) 4.434 7.215 ( -1.769 1.014 -1.996) 2.853 7.457 ( 2.348 9.506 -4.582) 10.811 8.037 ( -0.922 3.963 4.281) 5.906 8.658 ( 11.480 9.401 2.666) 15.075 8.957 ( 10.798 -10.931 0.918) 15.392 9.416 ( -5.650 -7.411 7.631) 12.045 10.086 ( -11.283 2.273 15.951) 19.670 10.412 ( 7.996 -7.478 5.577) 12.286 11.156 ( -8.929 -4.024 9.154) 13.406 11.393 ( -13.935 -2.345 -1.855) 14.252 12.215 ( -11.627 -4.311 2.399) 12.631 12.903 ( 7.063 6.244 10.378) 14.021 13.575 ( -4.596 2.528 7.695) 9.313 13.891 ( 10.932 -15.464 -9.699) 21.277 14.313 ( 9.666 2.611 -6.178) 11.765 14.748 ( 6.626 2.947 0.529) 7.271 15.154 ( -1.934 -6.411 -14.825) 16.267 16.479 ( 9.522 5.308 0.551) 10.915 17.967 ( -20.925 -13.178 1.496) 24.774 18.602 ( 5.458 0.252 -1.000) 5.555 19.473 ( -16.374 -7.245 -6.785) 19.147 20.790 ( 11.082 -0.262 -0.972) 11.128 21.699 ( 4.372 -7.932 -10.169) 13.617 24.272 ( -6.879 11.774 14.190) 19.680 25.044 ( -1.309 -4.285 -8.777) 9.854 ======================= Grid point 400 (131/180) ======================= q-point: ( 0.40 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 7.853 -3.109 7.870) 11.544 2.895 ( 8.998 3.497 2.852) 10.066 3.157 ( 3.197 -3.706 2.194) 5.364 3.497 ( -12.750 -4.443 -0.364) 13.506 4.033 ( 2.300 0.117 3.342) 4.059 4.267 ( -1.856 -3.634 7.889) 8.882 4.886 ( -3.926 -8.755 -7.655) 12.274 5.376 ( -7.385 -12.747 -14.900) 20.953 6.550 ( 8.572 15.402 10.854) 20.701 6.804 ( 8.062 4.436 1.675) 9.353 7.023 ( -1.954 0.083 2.529) 3.197 7.201 ( -0.583 11.756 -1.689) 11.892 7.557 ( 7.523 6.584 -2.686) 10.352 7.972 ( -5.694 5.390 1.829) 8.051 8.865 ( 9.388 2.870 5.456) 11.231 9.154 ( 5.409 0.401 8.136) 9.778 9.301 ( -2.709 -4.487 3.823) 6.487 9.835 ( -11.980 2.131 13.268) 18.003 10.588 ( 7.079 -4.468 5.345) 9.932 10.984 ( -8.816 -7.181 3.714) 11.962 11.228 ( -0.478 -8.226 3.788) 9.069 11.967 ( -11.809 -7.905 -4.815) 15.004 13.010 ( 3.574 11.243 8.945) 14.805 13.465 ( -4.820 1.977 10.057) 11.326 14.049 ( 4.700 -9.245 -7.035) 12.532 14.501 ( 6.929 -1.091 -0.658) 7.045 14.892 ( 6.511 2.737 -1.717) 7.269 15.114 ( -0.959 -1.893 -14.481) 14.636 16.761 ( 16.838 -5.001 3.991) 18.013 17.536 ( -20.912 -15.401 3.656) 26.228 18.707 ( 4.597 1.347 -4.207) 6.375 19.175 ( -12.194 -4.989 -10.199) 16.661 20.988 ( 7.757 -1.409 3.934) 8.811 21.738 ( 0.125 -10.160 -12.115) 15.812 24.163 ( -3.744 13.175 16.290) 21.283 25.022 ( -0.802 -4.818 -9.258) 10.467 ======================= Grid point 401 (132/180) ======================= q-point: (-0.50 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -0.000 -1.589 12.089) 12.193 3.050 ( 0.000 0.259 6.002) 6.008 3.135 ( -0.000 -9.176 -2.652) 9.551 3.357 ( 0.000 -1.888 0.132) 1.893 4.056 ( -0.000 -1.128 11.248) 11.304 4.233 ( 0.000 -0.659 7.308) 7.337 4.861 ( 0.000 -13.523 -15.153) 20.310 5.293 ( -0.000 -12.399 -18.155) 21.985 6.636 ( 0.000 14.026 11.403) 18.077 6.906 ( 0.000 1.495 1.468) 2.096 6.989 ( 0.000 4.853 2.231) 5.341 7.189 ( 0.000 14.098 -1.084) 14.139 7.686 ( -0.000 8.518 1.990) 8.747 7.864 ( 0.000 3.711 -2.756) 4.622 9.019 ( 0.000 -0.293 11.422) 11.426 9.092 ( -0.000 -1.054 2.492) 2.706 9.367 ( 0.000 8.605 9.709) 12.973 9.675 ( 0.000 -3.531 7.772) 8.537 10.669 ( -0.000 -1.078 6.289) 6.381 10.867 ( 0.000 -9.389 0.703) 9.416 11.268 ( 0.000 -11.347 10.193) 15.253 11.819 ( 0.000 -9.349 -10.762) 14.256 13.047 ( 0.000 13.594 7.446) 15.500 13.412 ( 0.000 2.140 11.634) 11.829 14.095 ( 0.000 -8.075 -4.663) 9.325 14.568 ( 0.000 -2.831 0.288) 2.846 14.962 ( 0.000 5.877 -3.250) 6.716 15.113 ( 0.000 -3.397 -14.429) 14.823 17.117 ( 0.000 -13.648 6.009) 14.912 17.141 ( -0.000 -9.987 4.517) 10.961 18.768 ( 0.000 1.656 -5.657) 5.895 19.032 ( 0.000 -4.990 -11.213) 12.273 21.072 ( 0.000 -1.171 6.419) 6.525 21.733 ( 0.000 -11.484 -13.790) 17.946 24.125 ( 0.000 13.632 16.967) 21.765 25.013 ( 0.000 -5.041 -9.440) 10.702 ======================= Grid point 407 (133/180) ======================= q-point: ( 0.00 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 0.000 11.294 -3.277) 11.760 2.454 ( 0.000 4.199 -7.589) 8.673 3.332 ( 0.000 7.676 8.317) 11.318 3.800 ( 0.000 -4.111 6.583) 7.761 4.286 ( 0.000 16.235 -2.290) 16.396 4.842 ( 0.000 -0.143 -10.237) 10.238 5.105 ( 0.000 12.715 6.197) 14.145 5.612 ( 0.000 -9.116 -5.562) 10.679 6.009 ( 0.000 4.284 11.181) 11.974 6.306 ( 0.000 -0.833 0.128) 0.843 7.053 ( 0.000 -0.889 5.818) 5.886 7.071 ( 0.000 -2.753 5.217) 5.899 7.784 ( 0.000 -5.770 -0.694) 5.811 7.788 ( 0.000 4.131 0.230) 4.137 8.053 ( 0.000 -7.439 -0.674) 7.469 8.303 ( 0.000 8.074 -10.451) 13.207 9.333 ( 0.000 -10.318 14.452) 17.757 9.783 ( 0.000 -13.617 0.835) 13.643 11.164 ( 0.000 -0.451 19.683) 19.688 11.185 ( 0.000 1.238 19.547) 19.587 11.956 ( 0.000 5.757 18.675) 19.543 12.283 ( 0.000 -6.870 23.883) 24.851 12.905 ( 0.000 5.056 -6.749) 8.433 13.068 ( 0.000 3.381 -8.937) 9.555 13.759 ( 0.000 -6.062 -15.695) 16.825 14.259 ( 0.000 -23.315 -24.262) 33.649 14.501 ( 0.000 6.900 -4.659) 8.325 14.517 ( 0.000 4.289 -11.411) 12.190 17.513 ( 0.000 13.824 2.773) 14.100 17.747 ( 0.000 6.732 -4.810) 8.273 19.235 ( 0.000 -4.570 13.471) 14.225 19.533 ( 0.000 -10.158 16.089) 19.028 20.714 ( 0.000 0.603 -21.799) 21.807 20.985 ( 0.000 -5.120 -18.144) 18.852 24.729 ( 0.000 4.032 2.214) 4.600 25.013 ( 0.000 -5.235 -5.781) 7.799 ======================= Grid point 408 (134/180) ======================= q-point: ( 0.10 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 3.613 10.510 -4.201) 11.881 2.512 ( 5.222 5.021 -5.381) 9.024 3.298 ( -2.005 5.328 3.467) 6.666 3.704 ( -8.968 -3.035 2.946) 9.916 4.273 ( -0.949 13.534 -1.024) 13.606 4.668 ( -11.581 1.756 -3.436) 12.207 5.253 ( 5.515 6.623 2.687) 9.028 5.603 ( -0.333 -6.026 -0.560) 6.061 6.061 ( 6.155 5.272 7.882) 11.305 6.371 ( 5.258 -0.950 -1.104) 5.455 6.872 ( -6.611 -3.247 4.904) 8.849 7.202 ( 4.057 -0.341 3.489) 5.362 7.674 ( -2.948 6.008 -0.560) 6.716 7.932 ( 6.408 -3.795 1.541) 7.605 8.136 ( 7.224 -11.679 -1.657) 13.832 8.442 ( 12.603 12.372 -6.301) 18.751 9.324 ( -0.881 -10.592 13.140) 16.901 9.807 ( 2.558 -14.108 0.784) 14.359 10.777 ( -17.767 -0.754 16.538) 24.284 11.488 ( 5.051 0.806 24.811) 25.333 11.888 ( -3.332 5.846 9.931) 11.996 12.339 ( 3.439 -5.359 23.487) 24.335 12.743 ( -7.119 4.143 -2.501) 8.608 13.195 ( 5.147 -4.278 -9.256) 11.422 13.685 ( -2.292 -2.278 -15.111) 15.453 14.297 ( -1.751 -5.182 -12.914) 14.024 14.525 ( 9.291 -5.121 -11.523) 15.663 14.654 ( 8.154 1.087 -12.573) 15.025 17.157 ( -20.665 15.859 -0.905) 26.065 18.076 ( 18.032 5.982 -0.660) 19.010 18.860 ( -27.296 -9.025 10.123) 30.480 19.631 ( 1.275 -11.870 14.740) 18.968 20.641 ( -2.095 4.734 -21.353) 21.972 21.179 ( 13.387 -6.061 -14.608) 20.721 24.688 ( -3.806 4.984 2.987) 6.946 25.005 ( -0.867 -5.280 -5.760) 7.862 ======================= Grid point 409 (135/180) ======================= q-point: ( 0.20 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 2.517 7.333 -4.551) 8.990 2.645 ( 7.940 7.697 -1.202) 11.123 3.301 ( 1.718 0.066 -5.017) 5.303 3.491 ( -9.692 -2.437 -1.625) 10.125 4.254 ( -1.713 9.623 0.850) 9.811 4.426 ( -11.758 0.851 2.110) 11.976 5.174 ( -10.315 -4.094 -0.660) 11.117 5.574 ( -6.898 -4.129 2.499) 8.418 6.261 ( 13.992 9.516 5.009) 17.647 6.523 ( 10.220 2.080 0.017) 10.430 6.863 ( 5.169 -2.792 3.910) 7.057 7.246 ( 1.068 2.840 1.250) 3.281 7.667 ( 1.534 10.036 -1.600) 10.277 8.041 ( 4.321 0.661 5.538) 7.055 8.301 ( 8.445 -16.958 -2.073) 19.058 8.746 ( 15.976 13.806 -0.914) 21.134 9.296 ( -2.037 -10.249 10.047) 14.496 9.904 ( 7.498 -14.382 1.170) 16.261 10.468 ( -12.856 -0.326 15.320) 20.002 11.364 ( -12.419 -0.468 19.833) 23.405 11.745 ( -13.483 6.586 1.798) 15.113 12.320 ( -8.511 -7.318 11.955) 16.399 12.775 ( 10.292 3.636 8.007) 13.537 13.316 ( 10.143 -14.680 -3.771) 18.237 13.705 ( 1.831 6.763 -6.343) 9.451 14.272 ( 1.001 1.295 -9.961) 10.095 14.694 ( 5.916 1.397 -3.600) 7.064 14.861 ( 11.401 -8.747 -20.397) 24.950 16.803 ( -13.209 17.630 -1.289) 22.067 18.193 ( -22.860 -8.838 4.808) 24.976 18.459 ( 5.449 -2.176 1.510) 6.058 19.536 ( -9.397 -12.282 7.112) 17.022 20.681 ( 5.357 5.953 -14.973) 16.981 21.419 ( 9.341 -6.699 -10.622) 15.651 24.590 ( -5.485 7.274 4.847) 10.319 24.979 ( -1.611 -5.472 -5.867) 8.183 ======================= Grid point 410 (136/180) ======================= q-point: ( 0.30 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 2.960 2.001 -0.592) 3.622 2.826 ( 9.142 7.820 -1.557) 12.131 3.224 ( -7.343 3.235 2.521) 8.411 3.453 ( 1.998 -9.727 -10.318) 14.320 4.102 ( -10.790 1.038 6.168) 12.472 4.313 ( -0.244 5.486 -0.488) 5.513 4.944 ( -11.520 -5.121 -2.772) 12.908 5.335 ( -13.684 -11.405 -6.704) 19.034 6.574 ( 14.882 11.858 5.395) 19.779 6.742 ( 10.060 5.452 7.582) 13.726 7.018 ( 8.389 1.450 1.269) 8.608 7.283 ( 3.750 6.454 0.784) 7.505 7.696 ( 0.808 12.551 -3.172) 12.970 8.097 ( 0.821 1.832 6.592) 6.891 8.468 ( 8.221 -18.025 0.024) 19.811 9.034 ( 9.890 3.386 5.141) 11.649 9.250 ( -0.256 -2.027 4.538) 4.977 10.083 ( 5.963 -6.186 7.528) 11.423 10.275 ( -3.104 -3.223 10.142) 11.085 11.095 ( -13.034 -2.680 14.114) 19.398 11.413 ( -16.924 4.543 -1.037) 17.554 12.052 ( -15.707 -11.596 -0.228) 19.525 13.004 ( 10.599 4.070 11.940) 16.476 13.562 ( 8.214 -6.224 -3.246) 10.805 13.735 ( 4.272 2.495 5.302) 7.252 14.342 ( 5.213 -0.758 -5.424) 7.561 14.796 ( 4.834 1.989 -5.445) 7.548 15.051 ( 6.600 -3.586 -16.151) 17.812 16.652 ( -1.536 11.755 -0.568) 11.869 17.663 ( -24.446 -17.077 3.516) 30.026 18.622 ( 6.708 1.699 -0.573) 6.944 19.305 ( -12.490 -9.005 -0.267) 15.400 20.825 ( 8.211 3.265 -7.979) 11.906 21.539 ( 2.532 -7.960 -8.746) 12.094 24.483 ( -4.797 9.739 6.742) 12.779 24.944 ( -1.746 -5.822 -6.190) 8.675 ======================= Grid point 411 (137/180) ======================= q-point: ( 0.40 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 8.166 -1.002 6.065) 10.221 2.970 ( 3.505 3.477 -1.519) 5.165 3.096 ( -5.205 -1.621 5.842) 7.991 3.389 ( -7.110 -6.325 -4.484) 10.520 4.008 ( 2.091 -1.665 5.011) 5.679 4.321 ( 0.122 7.269 -3.546) 8.089 4.719 ( -10.041 -7.474 -5.911) 13.843 5.111 ( -7.377 -14.001 -16.338) 22.746 6.805 ( 7.100 10.332 8.047) 14.897 6.903 ( 5.872 4.423 7.903) 10.793 7.147 ( 4.343 12.485 2.869) 13.526 7.402 ( 5.661 8.808 0.988) 10.517 7.727 ( 4.051 9.969 -3.535) 11.327 8.052 ( -5.544 2.488 4.261) 7.422 8.641 ( 9.032 -18.413 2.651) 20.679 9.013 ( -7.549 -15.593 7.548) 18.897 9.425 ( 13.251 15.105 4.075) 20.503 9.985 ( -9.759 9.963 13.154) 19.171 10.436 ( 11.401 -10.645 5.039) 16.392 10.857 ( -10.555 -6.030 10.489) 16.055 11.149 ( -7.295 0.503 -0.374) 7.322 11.740 ( -13.920 -14.261 -7.224) 21.197 13.191 ( 7.724 7.230 9.475) 14.202 13.561 ( -3.613 6.979 3.526) 8.614 13.897 ( 6.957 -5.497 2.049) 9.100 14.443 ( 3.706 -5.701 -0.184) 6.803 14.907 ( 6.492 -0.390 -6.679) 9.322 15.116 ( -0.256 1.945 -11.079) 11.251 16.725 ( 7.943 1.198 1.232) 8.127 17.243 ( -17.295 -14.262 3.168) 22.640 18.727 ( 4.233 1.065 -2.683) 5.124 19.065 ( -10.430 -5.777 -5.166) 12.995 20.989 ( 7.266 1.492 -2.015) 7.687 21.536 ( -2.016 -10.005 -9.408) 13.881 24.406 ( -2.655 11.477 7.948) 14.211 24.914 ( -1.121 -6.177 -6.558) 9.079 ======================= Grid point 412 (138/180) ======================= q-point: (-0.50 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( -0.000 1.658 11.602) 11.720 2.929 ( 0.000 -10.819 3.597) 11.401 3.072 ( -0.000 2.082 0.557) 2.155 3.303 ( 0.000 -3.665 -1.913) 4.134 4.068 ( 0.000 2.598 6.527) 7.025 4.307 ( -0.000 6.499 -3.179) 7.235 4.604 ( 0.000 -11.757 -12.436) 17.114 5.040 ( -0.000 -13.267 -19.172) 23.315 6.868 ( 0.000 9.565 10.317) 14.068 6.969 ( 0.000 4.010 5.468) 6.781 7.195 ( 0.000 15.767 4.229) 16.324 7.451 ( 0.000 12.535 0.432) 12.542 7.863 ( -0.000 9.070 -0.331) 9.076 7.908 ( 0.000 0.360 1.023) 1.085 8.815 ( 0.000 -21.620 4.612) 22.107 8.850 ( -0.000 -13.419 5.510) 14.507 9.631 ( -0.000 15.480 10.412) 18.656 9.817 ( 0.000 12.768 6.943) 14.534 10.599 ( -0.000 -6.313 9.505) 11.411 10.698 ( 0.000 -8.327 6.055) 10.296 11.105 ( 0.000 -4.235 3.591) 5.553 11.571 ( 0.000 -14.773 -12.231) 19.179 13.284 ( 0.000 10.539 5.792) 12.026 13.508 ( 0.000 6.109 8.550) 10.508 13.966 ( 0.000 -3.646 0.458) 3.675 14.477 ( 0.000 -7.472 0.537) 7.492 15.040 ( 0.000 -2.689 -10.599) 10.935 15.051 ( -0.000 2.726 -5.105) 5.787 16.916 ( 0.000 -7.004 3.288) 7.738 16.967 ( -0.000 -7.431 2.743) 7.921 18.790 ( 0.000 0.904 -3.129) 3.257 18.933 ( 0.000 -4.795 -7.700) 9.071 21.074 ( 0.000 1.621 1.507) 2.213 21.504 ( 0.000 -11.613 -11.150) 16.099 24.379 ( 0.000 12.088 8.337) 14.684 24.902 ( 0.000 -6.327 -6.721) 9.231 ======================= Grid point 418 (139/180) ======================= q-point: ( 0.00 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 0.000 8.217 -9.555) 12.602 2.451 ( 0.000 -3.746 -11.898) 12.474 3.509 ( 0.000 9.554 12.444) 15.689 3.680 ( 0.000 -7.633 11.582) 13.871 4.589 ( 0.000 13.565 -8.890) 16.219 4.787 ( 0.000 -6.253 -10.413) 12.146 5.309 ( 0.000 8.087 1.461) 8.218 5.450 ( 0.000 -7.315 -2.083) 7.606 6.115 ( 0.000 6.451 8.025) 10.296 6.240 ( 0.000 -5.570 3.375) 6.513 7.044 ( 0.000 -0.210 4.389) 4.394 7.046 ( 0.000 -0.092 4.738) 4.739 7.675 ( 0.000 -2.740 0.401) 2.769 7.714 ( 0.000 -6.152 0.080) 6.153 8.161 ( 0.000 12.560 2.827) 12.874 8.366 ( 0.000 -4.985 -3.191) 5.918 9.266 ( 0.000 5.400 6.795) 8.679 9.492 ( 0.000 -15.003 0.777) 15.023 11.167 ( 0.000 0.785 19.066) 19.083 11.187 ( 0.000 -0.840 18.159) 18.178 12.075 ( 0.000 5.865 26.814) 27.448 12.177 ( 0.000 -4.750 27.237) 27.648 13.023 ( 0.000 6.169 -11.338) 12.907 13.102 ( 0.000 -0.927 -11.060) 11.098 13.703 ( 0.000 1.946 -18.733) 18.834 13.873 ( 0.000 -15.106 -21.376) 26.175 14.585 ( 0.000 2.182 -10.590) 10.813 14.589 ( 0.000 1.997 -8.289) 8.526 17.736 ( 0.000 8.155 0.833) 8.197 17.815 ( 0.000 -0.022 -1.831) 1.831 19.212 ( 0.000 2.634 17.160) 17.361 19.335 ( 0.000 -9.221 18.756) 20.900 20.767 ( 0.000 4.511 -23.721) 24.146 20.874 ( 0.000 -5.946 -21.782) 22.579 24.809 ( 0.000 4.453 -1.011) 4.566 24.907 ( 0.000 -5.411 -3.725) 6.569 ======================= Grid point 419 (140/180) ======================= q-point: ( 0.10 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 1.569 6.213 -11.207) 12.910 2.533 ( 7.772 -1.636 -10.330) 13.030 3.439 ( -6.098 8.005 8.533) 13.194 3.604 ( -6.801 -6.484 8.416) 12.615 4.526 ( -5.095 10.890 -6.733) 13.780 4.666 ( -9.382 -2.864 -6.426) 11.726 5.275 ( -7.233 -2.210 -1.518) 7.714 5.560 ( 8.017 0.539 3.808) 8.892 6.181 ( 7.400 6.813 5.331) 11.384 6.307 ( 6.306 -5.342 1.380) 8.379 6.833 ( -6.916 -0.895 4.942) 8.547 7.224 ( 6.730 1.653 2.502) 7.368 7.674 ( 1.630 -3.384 -0.539) 3.795 7.840 ( 8.713 -4.121 3.860) 10.382 8.103 ( -0.214 5.222 -0.317) 5.236 8.600 ( 16.327 1.428 2.338) 16.555 9.254 ( -0.697 6.141 5.037) 7.973 9.503 ( 1.503 -15.861 -0.033) 15.932 10.768 ( -18.215 -0.205 14.705) 23.411 11.478 ( 3.592 -0.876 25.274) 25.543 12.019 ( 1.052 5.605 16.756) 17.699 12.258 ( 0.993 -2.985 25.566) 25.759 12.830 ( -8.332 4.250 -7.583) 12.041 13.062 ( -6.199 -6.808 -8.670) 12.647 13.761 ( 7.150 8.196 -16.993) 20.175 14.052 ( 10.770 -13.393 -16.326) 23.705 14.534 ( 1.764 1.776 -12.452) 12.701 14.695 ( 4.990 1.298 -9.401) 10.722 17.396 ( -17.098 7.177 -1.730) 18.624 18.154 ( 16.715 1.972 1.322) 16.883 18.726 ( -33.015 -3.908 12.460) 35.504 19.452 ( -0.082 -5.377 15.932) 16.815 20.730 ( 0.298 3.417 -21.215) 21.491 21.073 ( 13.359 -3.829 -17.557) 22.392 24.782 ( -2.504 4.686 -0.885) 5.386 24.897 ( -0.973 -5.288 -3.406) 6.365 ======================= Grid point 420 (141/180) ======================= q-point: ( 0.20 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -1.090 3.410 -10.439) 11.036 2.741 ( 11.957 2.121 -8.955) 15.088 3.319 ( -4.224 1.583 -0.177) 4.514 3.443 ( -8.464 -2.134 4.494) 9.818 4.382 ( -11.434 2.063 1.598) 11.728 4.492 ( -5.257 5.169 -3.668) 8.234 5.056 ( -11.957 -5.520 -6.469) 14.673 5.519 ( -13.456 -1.448 5.415) 14.576 6.433 ( 17.326 7.391 2.676) 19.026 6.531 ( 14.737 -1.925 1.634) 14.952 6.822 ( 5.116 -1.231 5.437) 7.567 7.348 ( 6.090 5.819 1.146) 8.500 7.732 ( 3.726 -3.765 0.039) 5.297 8.000 ( 6.456 -3.691 5.241) 9.098 8.174 ( 5.623 3.805 1.360) 6.924 8.864 ( 6.555 -2.981 7.817) 10.628 9.283 ( 4.931 11.457 1.178) 12.528 9.594 ( 9.071 -16.497 -1.907) 18.922 10.462 ( -11.967 -0.181 13.002) 17.672 11.340 ( -12.821 -1.150 24.328) 27.524 11.924 ( -14.529 10.941 2.821) 18.406 12.142 ( -12.544 -10.576 6.372) 17.601 12.846 ( 8.473 2.928 8.921) 12.647 13.096 ( 12.715 -6.760 4.053) 14.960 13.865 ( 1.315 7.551 -8.486) 11.436 14.208 ( 5.371 -5.836 -9.584) 12.440 14.700 ( 12.596 0.304 -15.218) 19.757 14.785 ( 4.682 -0.996 -12.786) 13.653 17.101 ( -11.747 10.528 -2.077) 15.911 17.975 ( -35.620 -9.092 8.527) 37.738 18.477 ( 11.370 1.456 0.011) 11.463 19.353 ( -8.222 -5.385 10.106) 14.098 20.781 ( 4.205 3.312 -16.700) 17.537 21.310 ( 8.930 -3.541 -11.359) 14.877 24.719 ( -3.439 5.777 -0.330) 6.731 24.867 ( -1.998 -5.527 -2.976) 6.587 ======================= Grid point 421 (142/180) ======================= q-point: ( 0.30 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -0.608 1.227 -4.062) 4.287 2.965 ( 8.545 5.359 -7.467) 12.550 3.268 ( -6.087 -0.746 1.826) 6.399 3.295 ( -1.847 -3.685 -4.442) 6.060 4.097 ( -13.486 -0.500 7.935) 15.655 4.449 ( 0.031 5.809 -5.039) 7.690 4.854 ( -8.069 -3.378 -11.168) 14.185 5.148 ( -20.073 -6.092 -1.367) 21.022 6.751 ( 12.804 5.345 4.566) 14.606 6.815 ( 10.228 1.888 9.857) 14.329 7.045 ( 17.418 0.591 0.495) 17.435 7.474 ( 6.189 11.587 1.366) 13.207 7.810 ( 3.682 -5.128 -0.087) 6.314 8.073 ( 0.263 -2.407 7.010) 7.417 8.287 ( 5.103 2.102 1.405) 5.695 8.854 ( -5.521 -10.880 5.845) 13.529 9.450 ( 10.959 12.297 2.273) 16.627 9.876 ( 16.985 -11.118 -0.384) 20.304 10.275 ( -7.049 0.854 12.821) 14.656 11.049 ( -15.098 -1.609 19.964) 25.082 11.561 ( -18.727 9.925 -2.687) 21.364 11.802 ( -18.562 -12.767 -3.811) 22.849 13.058 ( 11.390 1.368 13.231) 17.512 13.466 ( 19.671 -2.401 6.492) 20.853 13.828 ( -3.711 4.151 0.787) 5.624 14.287 ( 2.286 -3.252 -3.764) 5.475 14.830 ( 3.151 1.210 -12.020) 12.485 15.011 ( 12.774 -0.860 -14.959) 19.690 16.914 ( -7.419 13.531 -0.860) 15.456 17.330 ( -25.526 -15.445 3.709) 30.065 18.659 ( 6.403 1.480 -0.978) 6.644 19.162 ( -10.013 -4.502 4.500) 11.865 20.889 ( 6.439 2.427 -11.942) 13.783 21.413 ( 1.232 -3.996 -7.444) 8.538 24.653 ( -2.877 7.467 0.450) 8.015 24.822 ( -2.300 -6.308 -2.914) 7.319 ======================= Grid point 422 (143/180) ======================= q-point: ( 0.40 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 8.220 0.029 3.932) 9.112 2.996 ( -9.666 -0.241 5.409) 11.079 3.134 ( -2.493 4.737 -2.060) 5.736 3.260 ( -3.068 -6.385 -5.493) 8.964 3.993 ( 4.845 -0.111 2.850) 5.622 4.463 ( -0.616 4.313 -7.259) 8.466 4.652 ( -12.910 3.369 -6.701) 14.930 4.843 ( -7.234 -12.937 -14.574) 20.787 6.944 ( 5.835 3.891 8.240) 10.820 6.965 ( 5.745 1.497 9.321) 11.052 7.404 ( 15.224 8.570 2.441) 17.640 7.592 ( 5.375 13.285 2.112) 14.486 7.862 ( 1.114 -0.896 -0.355) 1.473 8.029 ( -3.835 -5.497 7.140) 9.793 8.376 ( 4.253 -2.755 0.018) 5.068 8.702 ( -8.534 -13.397 2.443) 16.071 9.707 ( 13.573 11.357 6.062) 18.707 10.145 ( -5.116 4.004 12.220) 13.840 10.219 ( 14.485 -8.466 4.301) 17.320 10.756 ( -13.393 -3.487 15.146) 20.517 11.237 ( -11.902 8.050 -4.384) 15.023 11.458 ( -14.256 -13.428 -7.672) 21.034 13.289 ( 11.048 2.592 10.658) 15.568 13.670 ( -4.247 2.341 -1.571) 5.097 13.870 ( 11.701 2.526 9.903) 15.536 14.299 ( -1.149 -6.754 0.322) 6.858 14.907 ( 5.171 0.279 -10.320) 11.546 15.153 ( 0.064 1.211 -9.104) 9.184 16.801 ( -2.247 6.233 0.597) 6.652 16.992 ( -9.499 -10.856 1.133) 14.470 18.751 ( 3.422 1.062 -2.865) 4.588 18.972 ( -8.291 -3.061 -0.571) 8.856 21.034 ( 7.494 2.267 -7.231) 10.658 21.374 ( -4.399 -5.421 -6.120) 9.284 24.608 ( -1.510 9.092 1.121) 9.284 24.781 ( -1.550 -7.301 -3.211) 8.125 ======================= Grid point 423 (144/180) ======================= q-point: (-0.50 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( -0.000 5.181 10.013) 11.273 2.738 ( 0.000 -8.404 7.454) 11.233 3.131 ( 0.000 3.920 -2.888) 4.869 3.218 ( 0.000 -4.720 -3.358) 5.793 4.160 ( 0.000 6.668 0.757) 6.711 4.316 ( -0.000 -8.056 -5.448) 9.725 4.555 ( 0.000 9.017 -12.445) 15.368 4.782 ( -0.000 -12.829 -17.059) 21.345 7.001 ( 0.000 4.000 9.993) 10.764 7.027 ( 0.000 1.223 8.616) 8.702 7.569 ( 0.000 20.013 3.345) 20.291 7.668 ( 0.000 8.642 2.721) 9.060 7.874 ( -0.000 -3.041 4.815) 5.694 7.961 ( 0.000 -4.232 0.970) 4.342 8.455 ( 0.000 -7.823 1.609) 7.986 8.571 ( 0.000 -13.444 -0.594) 13.457 9.919 ( -0.000 12.744 11.240) 16.992 10.025 ( 0.000 4.801 9.243) 10.415 10.465 ( -0.000 -4.031 10.253) 11.017 10.532 ( 0.000 -8.174 9.002) 12.160 11.117 ( 0.000 5.162 -4.010) 6.537 11.293 ( 0.000 -12.393 -10.081) 15.976 13.458 ( 0.000 7.243 5.787) 9.271 13.558 ( 0.000 -2.163 6.219) 6.585 14.023 ( -0.000 9.696 3.431) 10.285 14.267 ( 0.000 -13.151 2.384) 13.366 15.032 ( -0.000 1.471 -8.191) 8.322 15.065 ( 0.000 -1.031 -6.756) 6.834 16.836 ( 0.000 -1.325 1.002) 1.662 16.859 ( -0.000 -3.481 1.018) 3.626 18.811 ( 0.000 1.503 -2.445) 2.870 18.855 ( 0.000 -3.073 -4.198) 5.202 21.144 ( 0.000 5.637 -3.414) 6.591 21.294 ( 0.000 -9.473 -7.704) 12.210 24.593 ( 0.000 9.810 1.402) 9.909 24.764 ( 0.000 -7.801 -3.422) 8.518 ======================= Grid point 484 (145/180) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 0.000 0.000 9.705) 9.705 1.885 ( 0.000 0.000 7.923) 7.923 3.124 ( 0.000 0.000 2.124) 2.124 3.279 ( 0.000 0.000 -12.978) 12.978 3.977 ( 0.000 0.000 31.476) 31.476 4.513 ( 0.000 0.000 -22.910) 22.910 5.202 ( 0.000 0.000 28.967) 28.967 5.781 ( 0.000 0.000 -28.207) 28.207 5.816 ( 0.000 0.000 5.196) 5.196 5.877 ( 0.000 0.000 -0.956) 0.956 6.940 ( 0.000 0.000 14.101) 14.101 7.202 ( 0.000 0.000 -10.837) 10.837 7.624 ( 0.000 0.000 5.230) 5.230 7.642 ( 0.000 0.000 3.285) 3.285 9.203 ( 0.000 0.000 3.724) 3.724 9.296 ( 0.000 0.000 -5.703) 5.703 9.485 ( 0.000 0.000 -0.307) 0.307 9.522 ( 0.000 0.000 -3.605) 3.605 11.415 ( 0.000 0.000 14.487) 14.487 11.485 ( 0.000 0.000 25.797) 25.797 11.703 ( 0.000 0.000 -13.856) 13.856 12.041 ( 0.000 0.000 -29.336) 29.336 13.417 ( 0.000 0.000 5.603) 5.603 13.477 ( 0.000 0.000 -0.473) 0.473 13.642 ( 0.000 0.000 20.408) 20.408 13.999 ( 0.000 0.000 -14.678) 14.678 15.650 ( 0.000 0.000 8.415) 8.415 15.843 ( 0.000 0.000 -10.733) 10.733 16.046 ( 0.000 0.000 8.329) 8.329 16.242 ( 0.000 0.000 -11.111) 11.111 20.008 ( 0.000 0.000 13.148) 13.148 20.281 ( 0.000 0.000 -14.028) 14.028 20.650 ( 0.000 0.000 11.306) 11.306 20.882 ( 0.000 0.000 -11.671) 11.671 24.483 ( 0.000 0.000 18.276) 18.276 24.831 ( 0.000 0.000 -16.361) 16.361 ======================= Grid point 485 (146/180) ======================= q-point: ( 0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 10.851 0.000 9.344) 14.320 2.030 ( 12.729 0.000 6.566) 14.323 3.193 ( 7.480 0.000 -1.026) 7.550 3.264 ( -0.653 0.000 -8.675) 8.699 4.027 ( 4.177 0.000 26.514) 26.841 4.489 ( -2.529 0.000 -19.814) 19.975 5.218 ( 2.619 0.000 29.019) 29.137 5.752 ( -0.409 0.000 -15.836) 15.841 5.883 ( 4.075 0.000 -5.916) 7.184 5.912 ( 2.795 0.000 -1.096) 3.002 6.953 ( 1.123 0.000 13.648) 13.694 7.217 ( 1.159 0.000 -11.654) 11.712 7.640 ( 1.669 0.000 3.743) 4.098 7.641 ( -0.011 0.000 3.922) 3.922 9.084 ( -14.248 0.000 -1.044) 14.286 9.095 ( -8.755 0.000 -2.109) 9.005 9.600 ( 8.759 0.000 5.430) 10.305 9.729 ( 13.455 0.000 -7.252) 15.285 11.254 ( -10.232 0.000 22.045) 24.304 11.571 ( 3.356 0.000 16.659) 16.993 11.640 ( -5.689 0.000 -15.995) 16.977 11.991 ( -5.042 0.000 -24.788) 25.295 13.365 ( -2.849 0.000 13.977) 14.264 13.531 ( 5.977 0.000 -3.803) 7.085 13.730 ( 6.082 0.000 15.467) 16.620 14.052 ( 3.956 0.000 -15.207) 15.713 15.394 ( -22.868 0.000 5.333) 23.481 15.477 ( -12.770 0.000 -2.737) 13.060 16.452 ( 16.658 0.000 1.469) 16.723 16.556 ( 28.981 0.000 -8.771) 30.279 19.753 ( -19.643 0.000 11.669) 22.848 20.005 ( -20.625 0.000 -13.374) 24.582 20.857 ( 14.933 0.000 12.600) 19.539 21.113 ( 16.298 0.000 -12.852) 20.756 24.448 ( -3.159 0.000 19.962) 20.210 24.821 ( -0.853 0.000 -17.213) 17.234 ======================= Grid point 486 (147/180) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 12.273 0.000 7.598) 14.435 2.307 ( 12.788 0.000 1.763) 12.909 3.305 ( 5.688 0.000 3.150) 6.502 3.417 ( 12.557 0.000 -5.621) 13.758 4.125 ( 6.319 0.000 14.866) 16.154 4.414 ( -4.319 0.000 -12.903) 13.607 5.347 ( 10.317 0.000 27.558) 29.425 5.750 ( -1.007 0.000 -2.129) 2.356 5.957 ( 0.975 0.000 -2.377) 2.569 5.977 ( 5.667 0.000 -14.244) 15.330 6.979 ( 1.499 0.000 11.656) 11.752 7.228 ( -0.503 0.000 -12.360) 12.370 7.649 ( 0.955 0.000 4.786) 4.880 7.688 ( 2.781 0.000 0.295) 2.797 8.781 ( -15.443 0.000 3.386) 15.810 8.881 ( -12.151 0.000 -6.741) 13.896 9.768 ( 6.595 0.000 11.330) 13.110 9.984 ( 11.078 0.000 -10.306) 15.130 11.051 ( -9.130 0.000 24.122) 25.793 11.495 ( -8.249 0.000 -19.153) 20.854 11.611 ( 1.295 0.000 9.884) 9.969 11.865 ( -6.152 0.000 -15.646) 16.812 13.328 ( -1.472 0.000 26.054) 26.095 13.720 ( 11.673 0.000 -12.417) 17.042 13.836 ( 4.369 0.000 12.774) 13.501 14.108 ( 1.173 0.000 -15.203) 15.248 15.031 ( -12.653 0.000 9.028) 15.544 15.233 ( -10.525 0.000 -10.951) 15.189 16.824 ( 19.306 0.000 13.032) 23.293 17.110 ( 25.258 0.000 -15.860) 29.825 19.336 ( -20.474 0.000 10.279) 22.910 19.577 ( -20.546 0.000 -13.548) 24.611 21.140 ( 12.091 0.000 13.826) 18.367 21.420 ( 13.266 0.000 -14.196) 19.430 24.370 ( -4.137 0.000 23.773) 24.130 24.801 ( -0.959 0.000 -19.257) 19.281 ======================= Grid point 487 (148/180) ======================= q-point: ( 0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 14.966 0.000 2.635) 15.196 2.532 ( 10.299 0.000 0.426) 10.307 3.458 ( 6.645 0.000 9.298) 11.428 3.571 ( 0.765 0.000 -0.506) 0.917 4.355 ( 17.025 0.000 -2.083) 17.152 4.360 ( 0.649 0.000 -1.544) 1.674 5.598 ( 12.940 0.000 21.043) 24.703 5.682 ( -5.708 0.000 10.215) 11.702 5.938 ( -3.011 0.000 -4.057) 5.052 6.100 ( 5.560 0.000 -17.188) 18.065 7.030 ( 4.130 0.000 6.562) 7.754 7.198 ( -1.843 0.000 -9.190) 9.373 7.674 ( 1.087 0.000 3.546) 3.709 7.729 ( 0.348 0.000 -2.177) 2.204 8.479 ( -13.601 0.000 5.561) 14.694 8.617 ( -13.390 0.000 -8.240) 15.722 9.839 ( 0.424 0.000 16.966) 16.972 10.153 ( 5.260 0.000 -14.057) 15.009 10.904 ( -5.294 0.000 23.415) 24.006 11.330 ( -7.352 0.000 -18.806) 20.192 11.650 ( 2.809 0.000 4.368) 5.193 11.781 ( -1.864 0.000 -8.848) 9.042 13.273 ( -4.225 0.000 35.148) 35.401 13.900 ( 2.432 0.000 -26.624) 26.734 13.932 ( 5.526 0.000 15.109) 16.088 14.166 ( 8.085 0.000 -9.093) 12.168 14.863 ( -4.930 0.000 6.517) 8.171 15.051 ( -8.044 0.000 -12.205) 14.618 17.213 ( 18.781 0.000 17.039) 25.359 17.560 ( 18.920 0.000 -18.122) 26.199 18.948 ( -17.594 0.000 10.503) 20.490 19.202 ( -16.052 0.000 -14.519) 21.644 21.334 ( 7.115 0.000 14.708) 16.338 21.637 ( 8.146 0.000 -15.554) 17.558 24.295 ( -3.140 0.000 27.605) 27.783 24.786 ( -0.483 0.000 -21.454) 21.459 ======================= Grid point 488 (149/180) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 11.037 0.000 5.388) 12.282 2.835 ( 16.624 0.000 -2.359) 16.790 3.473 ( -9.165 0.000 2.914) 9.617 3.477 ( -4.606 0.000 2.815) 5.398 4.479 ( 9.672 0.000 13.905) 16.938 4.741 ( 18.455 0.000 -11.829) 21.921 5.533 ( -8.263 0.000 14.634) 16.806 5.775 ( -1.148 0.000 -4.899) 5.031 5.873 ( 1.820 0.000 11.694) 11.834 6.180 ( 2.327 0.000 -13.818) 14.013 7.157 ( 8.069 0.000 0.389) 8.079 7.185 ( 0.960 0.000 -1.756) 2.002 7.665 ( -6.782 0.000 0.025) 6.782 7.673 ( -1.439 0.000 -0.807) 1.650 8.276 ( -5.821 0.000 3.194) 6.640 8.379 ( -9.057 0.000 -6.979) 11.434 9.811 ( -2.186 0.000 21.090) 21.203 10.204 ( 0.500 0.000 -17.664) 17.671 10.832 ( -2.059 0.000 22.044) 22.140 11.219 ( -3.441 0.000 -16.577) 16.930 11.716 ( 3.161 0.000 1.142) 3.361 11.777 ( 0.827 0.000 -5.177) 5.243 13.180 ( -4.094 0.000 38.315) 38.533 13.861 ( -3.253 0.000 -29.068) 29.250 14.045 ( 4.943 0.000 21.461) 22.023 14.400 ( 12.375 0.000 -12.995) 17.944 14.797 ( -2.070 0.000 1.542) 2.581 14.887 ( -8.343 0.000 -8.901) 12.200 17.559 ( 14.446 0.000 13.826) 19.996 17.862 ( 10.620 0.000 -17.114) 20.142 18.636 ( -12.773 0.000 13.977) 18.934 18.943 ( -9.188 0.000 -16.173) 18.600 21.434 ( 3.000 0.000 15.278) 15.570 21.754 ( 3.633 0.000 -16.685) 17.076 24.247 ( -1.516 0.000 30.206) 30.244 24.781 ( -0.081 0.000 -22.998) 22.998 ======================= Grid point 489 (150/180) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( -0.000 0.000 9.971) 9.971 3.090 ( 0.000 0.000 -9.002) 9.002 3.295 ( -0.000 0.000 7.985) 7.985 3.389 ( 0.000 0.000 -1.774) 1.774 4.613 ( 0.000 0.000 20.266) 20.266 4.967 ( 0.000 0.000 -14.626) 14.626 5.424 ( 0.000 0.000 14.689) 14.689 5.693 ( 0.000 0.000 -11.678) 11.678 5.929 ( 0.000 0.000 14.029) 14.029 6.202 ( 0.000 0.000 -12.263) 12.263 7.209 ( 0.000 0.000 3.582) 3.582 7.283 ( 0.000 0.000 -3.856) 3.856 7.545 ( 0.000 0.000 4.385) 4.385 7.644 ( 0.000 0.000 -5.150) 5.150 8.225 ( 0.000 0.000 0.770) 0.770 8.284 ( 0.000 0.000 -5.208) 5.208 9.784 ( 0.000 0.000 22.423) 22.423 10.204 ( 0.000 0.000 -18.995) 18.995 10.812 ( 0.000 0.000 21.545) 21.545 11.186 ( 0.000 0.000 -15.725) 15.725 11.752 ( 0.000 0.000 0.105) 0.105 11.790 ( 0.000 0.000 -3.891) 3.891 13.135 ( -0.000 0.000 39.025) 39.025 13.823 ( 0.000 0.000 -29.165) 29.165 14.100 ( 0.000 0.000 24.980) 24.980 14.578 ( 0.000 0.000 -22.332) 22.332 14.753 ( 0.000 0.000 0.112) 0.112 14.775 ( -0.000 0.000 -1.329) 1.329 17.727 ( 0.000 0.000 9.146) 9.146 17.973 ( 0.000 0.000 -15.872) 15.872 18.487 ( 0.000 0.000 18.218) 18.218 18.847 ( 0.000 0.000 -17.341) 17.341 21.463 ( 0.000 0.000 15.477) 15.477 21.790 ( 0.000 0.000 -17.135) 17.135 24.232 ( 0.000 0.000 31.108) 31.108 24.781 ( 0.000 0.000 -23.539) 23.539 ======================= Grid point 495 (151/180) ======================= q-point: ( 0.00 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 0.000 2.200 9.466) 9.718 1.940 ( 0.000 6.669 6.868) 9.574 3.142 ( 0.000 1.916 2.881) 3.460 3.302 ( 0.000 2.889 -11.567) 11.922 4.050 ( 0.000 6.513 25.208) 26.036 4.511 ( 0.000 0.044 -20.735) 20.735 5.172 ( 0.000 -2.366 28.693) 28.791 5.724 ( 0.000 -4.229 -24.283) 24.649 5.880 ( 0.000 5.861 5.124) 7.786 5.955 ( 0.000 6.316 -3.913) 7.430 6.993 ( 0.000 5.172 12.150) 13.205 7.224 ( 0.000 1.920 -9.513) 9.705 7.609 ( 0.000 -1.212 4.843) 4.993 7.622 ( 0.000 -1.773 3.219) 3.675 8.917 ( 0.000 -19.852 0.829) 19.870 8.971 ( 0.000 -20.324 -4.773) 20.877 9.739 ( 0.000 12.359 1.201) 12.417 9.766 ( 0.000 15.341 -1.642) 15.429 11.408 ( 0.000 -0.330 12.636) 12.640 11.478 ( 0.000 -0.628 19.236) 19.246 11.730 ( 0.000 2.973 -5.729) 6.454 12.087 ( 0.000 4.548 -27.729) 28.100 13.299 ( 0.000 -10.985 9.787) 14.712 13.368 ( 0.000 -4.663 2.953) 5.519 13.836 ( 0.000 12.486 8.205) 14.941 14.037 ( 0.000 3.303 -11.008) 11.493 15.092 ( 0.000 -35.686 16.230) 39.203 15.440 ( 0.000 -28.958 -18.055) 34.126 16.522 ( 0.000 28.376 -0.484) 28.380 16.559 ( 0.000 20.612 -3.818) 20.963 19.924 ( 0.000 -7.665 11.787) 14.060 20.141 ( 0.000 -11.038 -8.553) 13.964 20.702 ( 0.000 2.627 6.303) 6.829 20.890 ( 0.000 0.260 -11.011) 11.014 24.555 ( 0.000 6.497 16.006) 17.274 24.866 ( 0.000 3.088 -14.803) 15.122 ======================= Grid point 496 (152/180) ======================= q-point: ( 0.10 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 8.446 0.863 7.200) 11.132 2.109 ( 13.388 5.816 8.344) 16.813 3.174 ( 2.656 -0.564 -1.767) 3.240 3.292 ( 1.294 2.072 -7.321) 7.718 4.070 ( 1.395 4.099 20.227) 20.685 4.499 ( -1.619 0.782 -16.124) 16.224 5.209 ( 4.279 -0.341 27.386) 27.720 5.728 ( 0.660 -2.128 -17.689) 17.829 5.904 ( 1.647 3.115 1.050) 3.676 6.008 ( 4.734 7.484 -4.436) 9.904 6.961 ( -2.289 1.473 8.893) 9.300 7.253 ( 1.355 2.472 -7.146) 7.682 7.561 ( -0.299 -3.577 4.502) 5.758 7.717 ( 5.473 3.841 2.663) 7.197 8.622 ( -15.007 -21.678 -2.641) 26.497 9.274 ( 15.275 -18.479 -0.407) 23.978 9.565 ( -9.997 17.917 -0.213) 20.518 9.935 ( 9.293 10.364 -0.426) 13.927 11.212 ( -11.441 -3.781 17.536) 21.277 11.598 ( 2.239 3.198 15.837) 16.311 11.658 ( -4.888 1.374 -11.001) 12.116 12.041 ( -4.092 5.224 -23.031) 23.968 13.264 ( -0.540 -8.129 12.059) 14.553 13.491 ( 9.270 -4.778 3.854) 11.118 13.790 ( -2.662 5.470 0.215) 6.088 14.121 ( 5.481 5.654 -6.983) 10.525 14.899 ( -9.851 -27.054 6.351) 29.484 15.776 ( 22.139 -36.574 -6.729) 43.279 15.941 ( -26.589 22.843 -2.083) 35.115 17.106 ( 25.417 26.456 -3.030) 36.812 19.601 ( -20.685 -11.127 5.691) 24.168 20.111 ( -16.123 6.503 -7.458) 18.917 20.669 ( 11.081 -14.389 6.491) 19.287 21.187 ( 17.014 3.420 -6.859) 18.661 24.518 ( -3.444 6.264 17.674) 19.065 24.854 ( -1.057 2.930 -15.625) 15.933 ======================= Grid point 497 (153/180) ======================= q-point: ( 0.20 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 10.402 -2.054 4.295) 11.440 2.399 ( 13.698 5.985 6.254) 16.204 3.207 ( 2.574 -5.502 -0.273) 6.081 3.469 ( 14.477 0.691 -4.579) 15.199 4.087 ( 0.122 -1.511 9.347) 9.469 4.446 ( -2.690 1.819 -7.248) 7.943 5.348 ( 8.334 0.496 23.832) 25.252 5.749 ( 0.944 -2.794 -7.908) 8.440 5.921 ( 0.058 4.721 2.208) 5.212 6.129 ( 7.045 8.126 -10.192) 14.817 6.921 ( -1.604 -2.609 5.218) 6.050 7.252 ( -0.876 -0.627 -5.390) 5.497 7.593 ( 2.123 -1.331 4.078) 4.786 7.836 ( 6.140 10.036 0.647) 11.782 8.336 ( -13.057 -20.669 -2.539) 24.579 9.333 ( -12.802 20.537 -0.118) 24.201 9.539 ( 10.249 -15.945 2.532) 19.123 10.118 ( 8.070 7.839 -1.367) 11.333 10.995 ( -9.497 -5.685 19.597) 22.507 11.475 ( -8.602 -1.427 -9.450) 12.859 11.609 ( -4.392 0.547 1.698) 4.741 11.970 ( -1.996 9.515 -11.399) 14.982 13.273 ( 0.211 -5.291 23.727) 24.311 13.711 ( 10.518 -3.062 2.989) 11.355 13.775 ( 3.551 -1.879 -11.834) 12.497 14.182 ( -0.150 4.394 -5.086) 6.723 14.790 ( -1.350 -14.869 4.181) 15.505 15.413 ( -21.260 6.514 -6.228) 23.091 16.317 ( 27.186 -26.346 1.185) 37.876 17.551 ( 18.367 23.720 -4.587) 30.348 19.193 ( -19.062 -10.720 4.717) 22.373 19.689 ( -22.193 7.260 -8.046) 24.698 20.955 ( 14.160 -14.472 7.318) 21.529 21.484 ( 11.922 2.926 -7.653) 14.466 24.432 ( -4.631 5.633 21.542) 22.743 24.828 ( -1.387 2.365 -17.686) 17.897 ======================= Grid point 498 (154/180) ======================= q-point: ( 0.30 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 13.115 -4.156 1.018) 13.796 2.639 ( 10.780 6.154 2.668) 12.696 3.303 ( 5.224 -9.315 5.118) 11.843 3.716 ( 4.327 7.974 3.226) 9.628 4.109 ( 5.454 -14.205 -4.170) 15.777 4.473 ( 7.371 2.210 -0.164) 7.697 5.443 ( -1.484 -7.814 16.481) 18.300 5.748 ( -2.589 -9.386 -6.803) 11.878 5.943 ( 4.368 14.856 10.590) 18.760 6.285 ( 7.889 10.495 -12.410) 18.066 6.906 ( 0.581 -5.399 1.610) 5.664 7.243 ( 0.344 -0.434 -3.489) 3.533 7.604 ( -1.480 -3.698 2.644) 4.781 7.907 ( -3.049 8.110 -0.282) 8.669 8.151 ( -1.274 -7.199 -2.003) 7.581 9.049 ( -14.921 23.207 -0.451) 27.593 9.688 ( 4.782 -12.920 8.114) 15.988 10.220 ( 1.250 4.525 -4.157) 6.270 10.853 ( -4.216 -5.356 18.777) 19.976 11.297 ( -8.669 -2.398 -13.178) 15.955 11.541 ( -0.172 -6.309 -0.615) 6.342 11.944 ( -1.409 11.104 -4.736) 12.154 13.238 ( -3.441 -3.027 32.096) 32.421 13.838 ( 4.908 -4.622 -22.361) 23.356 13.937 ( 3.740 -0.936 11.609) 12.232 14.187 ( 6.054 1.046 -8.653) 10.612 14.798 ( 0.821 -4.344 2.876) 5.274 15.087 ( -11.447 1.494 -8.357) 14.252 16.859 ( 25.906 -22.097 5.116) 34.432 17.839 ( 9.792 15.587 -6.488) 19.518 18.848 ( -14.642 -8.015 6.046) 17.753 19.271 ( -18.418 4.807 -10.002) 21.503 21.205 ( 10.299 -10.870 9.100) 17.522 21.664 ( 5.953 0.992 -9.992) 11.673 24.345 ( -3.672 4.755 25.496) 26.195 24.803 ( -0.963 1.509 -19.962) 20.042 ======================= Grid point 499 (155/180) ======================= q-point: ( 0.40 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 13.736 -3.471 3.753) 14.656 2.870 ( 12.435 2.563 -0.453) 12.704 3.347 ( -1.314 -6.326 2.130) 6.803 3.587 ( -12.834 4.464 3.103) 13.938 4.354 ( 15.123 -10.789 8.782) 20.548 4.718 ( 14.076 -3.260 -6.114) 15.689 5.307 ( -9.915 -14.568 13.927) 22.461 5.614 ( -9.106 -14.438 -12.546) 21.185 6.094 ( 8.014 18.557 12.803) 23.927 6.406 ( 3.006 15.522 -9.708) 18.553 6.972 ( 6.610 -8.831 -0.465) 11.041 7.258 ( -0.157 -1.068 -0.598) 1.234 7.537 ( -3.902 -7.185 0.685) 8.204 7.740 ( -9.526 2.104 -1.066) 9.813 8.269 ( 9.360 12.264 -1.541) 15.505 8.750 ( -14.212 22.714 -0.783) 26.805 9.750 ( 1.798 -6.315 16.043) 17.335 10.186 ( -3.225 -2.278 -10.187) 10.925 10.807 ( -1.113 -2.397 17.362) 17.562 11.154 ( -4.917 -5.437 -12.994) 14.919 11.617 ( 6.794 -6.272 -1.373) 9.348 11.891 ( -4.147 6.518 -2.724) 8.191 13.165 ( -3.112 -1.001 33.973) 34.130 13.788 ( -5.894 -6.781 -20.068) 21.987 14.053 ( 7.345 0.162 12.808) 14.766 14.405 ( 11.171 0.458 -11.895) 16.324 14.788 ( -1.610 -0.091 -0.404) 1.663 14.918 ( -6.141 2.146 -6.314) 9.066 17.342 ( 21.302 -16.311 6.022) 27.497 17.924 ( -2.019 0.894 -7.114) 7.449 18.625 ( -6.814 -0.271 9.191) 11.444 18.968 ( -10.971 1.941 -13.233) 17.299 21.369 ( 5.806 -6.084 12.373) 14.960 21.735 ( 1.523 -2.190 -13.863) 14.118 24.289 ( -1.844 3.993 28.198) 28.539 24.790 ( -0.397 0.742 -21.590) 21.607 ======================= Grid point 500 (156/180) ======================= q-point: (-0.50 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( -0.000 -2.204 10.546) 10.774 3.080 ( 0.000 -0.985 -9.884) 9.933 3.287 ( -0.000 -0.866 8.180) 8.225 3.388 ( 0.000 -0.225 -2.079) 2.091 4.557 ( 0.000 -5.373 19.428) 20.157 4.897 ( 0.000 -6.979 -11.435) 13.396 5.165 ( 0.000 -18.748 12.944) 22.782 5.485 ( 0.000 -15.697 -15.528) 22.080 6.190 ( 0.000 19.100 12.870) 23.032 6.421 ( 0.000 16.700 -9.800) 19.363 7.131 ( -0.000 -7.543 2.518) 7.952 7.178 ( 0.000 -9.619 -2.239) 9.876 7.521 ( 0.000 0.844 3.395) 3.499 7.607 ( 0.000 0.459 -5.210) 5.231 8.471 ( 0.000 19.901 0.500) 19.907 8.499 ( 0.000 18.201 -2.639) 18.392 9.769 ( 0.000 -1.925 21.168) 21.255 10.144 ( 0.000 -6.456 -14.961) 16.295 10.795 ( 0.000 -1.170 17.138) 17.178 11.105 ( 0.000 -7.097 -12.907) 14.730 11.766 ( 0.000 -2.851 -1.120) 3.063 11.777 ( -0.000 1.470 -2.409) 2.822 13.131 ( -0.000 0.013 34.504) 34.504 13.720 ( 0.000 -8.416 -18.828) 20.623 14.140 ( 0.000 2.323 14.780) 14.961 14.535 ( 0.000 -3.339 -18.183) 18.487 14.779 ( -0.000 2.626 1.138) 2.862 14.830 ( 0.000 4.317 -4.769) 6.433 17.646 ( 0.000 -7.856 7.657) 10.970 17.812 ( -0.000 -13.851 -7.754) 15.874 18.565 ( 0.000 5.849 10.687) 12.182 18.851 ( 0.000 0.236 -15.859) 15.861 21.430 ( 0.000 -3.253 14.902) 15.253 21.746 ( 0.000 -4.351 -16.649) 17.208 24.271 ( 0.000 3.700 29.140) 29.374 24.786 ( 0.000 0.434 -22.169) 22.174 ======================= Grid point 506 (157/180) ======================= q-point: ( 0.00 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 0.000 3.621 11.090) 11.667 2.094 ( 0.000 8.003 -0.358) 8.011 3.209 ( 0.000 5.289 6.286) 8.215 3.411 ( 0.000 8.249 -11.524) 14.173 4.185 ( 0.000 6.329 16.689) 17.849 4.525 ( 0.000 1.490 -16.656) 16.723 5.141 ( 0.000 -0.184 26.126) 26.126 5.634 ( 0.000 -4.906 -21.844) 22.388 6.010 ( 0.000 6.700 5.904) 8.930 6.096 ( 0.000 7.512 -3.301) 8.205 7.112 ( 0.000 5.571 7.182) 9.090 7.252 ( 0.000 0.062 -5.230) 5.230 7.601 ( 0.000 0.777 2.603) 2.717 7.604 ( 0.000 1.995 3.168) 3.744 8.533 ( 0.000 -18.710 -0.184) 18.711 8.581 ( 0.000 -19.071 -4.882) 19.686 9.883 ( 0.000 1.598 6.503) 6.696 9.978 ( 0.000 5.271 -2.906) 6.019 11.415 ( 0.000 1.087 9.613) 9.674 11.466 ( 0.000 -0.387 10.458) 10.465 11.836 ( 0.000 8.268 7.210) 10.970 12.213 ( 0.000 8.161 -23.899) 25.254 13.107 ( 0.000 -8.487 11.816) 14.548 13.250 ( 0.000 -7.102 0.837) 7.151 14.064 ( 0.000 10.229 0.439) 10.238 14.080 ( 0.000 -2.035 -2.001) 2.854 14.465 ( 0.000 -24.239 13.471) 27.731 14.848 ( 0.000 -30.097 -22.626) 37.653 16.946 ( 0.000 18.790 1.961) 18.892 17.021 ( 0.000 22.413 -5.810) 23.154 19.752 ( 0.000 -8.990 10.691) 13.969 19.932 ( 0.000 -9.309 -5.704) 10.917 20.700 ( 0.000 -3.124 3.967) 5.049 20.869 ( 0.000 -2.711 -11.272) 11.594 24.688 ( 0.000 6.036 11.680) 13.147 24.924 ( 0.000 2.186 -11.583) 11.788 ======================= Grid point 507 (158/180) ======================= q-point: ( 0.10 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 6.136 2.676 7.747) 10.238 2.231 ( 11.575 6.144 3.852) 13.659 3.194 ( -0.743 2.722 1.973) 3.443 3.359 ( -3.461 5.459 -9.669) 11.631 4.167 ( -1.578 5.216 12.471) 13.610 4.514 ( -1.592 0.815 -10.498) 10.649 5.225 ( 7.547 2.212 22.781) 24.101 5.669 ( 1.891 -3.986 -17.270) 17.825 5.995 ( 0.999 5.718 3.733) 6.901 6.163 ( 4.583 7.690 -3.002) 9.442 7.009 ( -5.933 2.223 2.483) 6.805 7.290 ( -1.448 2.215 -1.756) 3.176 7.489 ( -0.498 -4.442 4.302) 6.204 7.823 ( 11.981 7.834 1.064) 14.355 8.278 ( -11.617 -12.897 -2.310) 17.511 8.866 ( 14.600 -21.900 -1.830) 26.384 9.791 ( -6.174 3.589 2.527) 7.575 10.083 ( 7.338 3.828 0.997) 8.336 11.134 ( -14.585 -3.525 11.664) 19.005 11.688 ( -3.559 4.139 7.301) 9.116 11.704 ( -0.677 5.432 3.011) 6.247 12.198 ( -1.390 10.602 -17.772) 20.741 13.092 ( 0.582 -9.034 12.949) 15.800 13.371 ( 10.052 -6.871 0.367) 12.181 13.886 ( -9.041 1.964 -6.092) 11.077 14.174 ( 1.348 -5.050 3.500) 6.290 14.467 ( 3.897 -10.607 4.558) 12.185 15.071 ( 15.752 -33.065 -13.659) 39.090 16.387 ( -25.447 21.843 -1.234) 33.559 17.549 ( 24.189 19.053 -2.459) 30.890 19.384 ( -21.689 -10.588 4.040) 24.471 20.193 ( -2.342 1.195 -4.439) 5.159 20.388 ( -2.126 -12.874 2.780) 13.341 21.196 ( 17.273 -2.476 -5.218) 18.213 24.648 ( -3.708 6.037 13.027) 14.829 24.910 ( -1.327 2.157 -12.187) 12.447 ======================= Grid point 508 (159/180) ======================= q-point: ( 0.20 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 7.563 0.225 3.590) 8.375 2.500 ( 13.958 4.087 7.877) 16.540 3.156 ( -2.682 0.754 -3.128) 4.189 3.415 ( 10.672 -4.676 -6.347) 13.268 4.114 ( -4.400 3.694 5.688) 8.084 4.463 ( -2.493 0.093 -2.396) 3.459 5.364 ( 3.111 0.339 17.283) 17.564 5.668 ( -1.650 -4.346 -10.319) 11.318 6.070 ( 5.604 8.271 7.403) 12.435 6.267 ( 6.505 6.249 -8.202) 12.192 6.932 ( -1.409 2.765 0.493) 3.143 7.230 ( -2.347 1.281 -1.299) 2.973 7.492 ( -1.633 -10.214 2.721) 10.696 8.055 ( 4.749 7.376 0.431) 8.784 8.124 ( 2.165 3.823 -1.375) 4.604 9.132 ( 11.581 -21.622 0.170) 24.529 9.648 ( -8.249 6.823 1.133) 10.765 10.240 ( 7.372 3.744 2.208) 8.558 10.856 ( -12.468 -7.079 12.937) 19.311 11.445 ( -11.403 -1.473 -4.543) 12.363 11.660 ( -9.932 4.806 3.984) 11.731 12.196 ( 0.326 12.739 -7.919) 15.004 13.143 ( 3.450 -7.402 19.856) 21.470 13.602 ( 10.262 -6.868 -6.251) 13.840 13.779 ( 1.366 -0.293 -7.061) 7.198 14.157 ( -2.403 -7.864 1.872) 8.433 14.602 ( 7.919 -2.272 2.107) 8.504 15.235 ( -3.839 -21.909 -8.523) 23.820 16.157 ( 7.189 8.875 -0.452) 11.430 17.933 ( 13.116 15.445 -2.669) 20.438 18.969 ( -18.425 -11.945 3.215) 22.192 19.790 ( -23.347 2.314 -5.901) 24.192 20.671 ( 16.370 -13.065 3.658) 21.262 21.488 ( 11.206 -2.498 -4.935) 12.497 24.554 ( -5.150 6.017 16.469) 18.275 24.874 ( -2.110 1.813 -14.001) 14.274 ======================= Grid point 509 (160/180) ======================= q-point: ( 0.30 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 11.353 -2.683 0.694) 11.687 2.750 ( 10.041 4.652 5.391) 12.310 3.158 ( 3.215 -4.556 1.841) 5.873 3.713 ( 15.385 -11.568 -2.909) 19.468 3.963 ( -9.171 3.189 -0.682) 9.733 4.470 ( 3.976 -1.772 2.129) 4.846 5.291 ( -9.209 -8.633 11.361) 16.982 5.568 ( -9.435 -8.658 -9.344) 15.852 6.237 ( 11.080 12.836 11.041) 20.234 6.439 ( 10.023 7.697 -8.737) 15.363 6.934 ( 0.678 7.289 -0.327) 7.328 7.210 ( -0.446 -1.331 -1.143) 1.810 7.425 ( -3.248 -11.163 0.275) 11.629 7.987 ( -4.948 5.547 0.816) 7.478 8.353 ( 12.765 17.858 -0.559) 21.958 9.323 ( 4.914 -10.306 3.660) 11.990 9.466 ( -7.049 4.053 0.172) 8.133 10.295 ( -4.626 3.501 4.675) 7.450 10.697 ( -1.170 -10.152 8.425) 13.244 11.257 ( -8.395 -2.381 -4.606) 9.868 11.442 ( -7.372 -2.992 0.296) 7.961 12.146 ( -5.736 8.364 -3.332) 10.676 13.183 ( 0.227 -1.906 25.192) 25.265 13.714 ( 1.590 -8.641 -24.895) 26.400 13.900 ( 4.223 -2.049 16.626) 17.276 14.181 ( 9.309 -1.108 -9.082) 13.053 14.750 ( 5.868 -0.404 1.430) 6.053 15.056 ( -9.044 -4.947 -6.759) 12.327 16.533 ( 24.402 -9.608 1.563) 26.272 18.040 ( -3.359 4.099 -2.782) 5.985 18.692 ( -7.666 -6.798 3.330) 10.773 19.342 ( -20.202 2.042 -7.182) 21.538 20.978 ( 13.847 -11.151 4.583) 18.359 21.642 ( 4.076 -3.280 -6.170) 8.090 24.455 ( -4.351 5.821 20.256) 21.521 24.832 ( -1.878 1.061 -16.249) 16.392 ======================= Grid point 510 (161/180) ======================= q-point: ( 0.40 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 14.760 -3.979 3.125) 15.603 2.920 ( 7.626 2.491 1.161) 8.106 3.236 ( 2.929 -4.829 0.933) 5.725 3.617 ( -16.204 -2.491 2.384) 16.566 4.144 ( 18.729 -8.522 3.215) 20.827 4.608 ( 8.410 -7.335 1.846) 11.311 5.040 ( -14.714 -12.624 9.331) 21.516 5.329 ( -12.129 -14.394 -15.549) 24.415 6.455 ( 8.840 16.892 10.968) 21.995 6.649 ( 9.488 8.342 -7.248) 14.565 6.934 ( -0.064 6.991 -0.515) 7.011 7.150 ( -5.768 -7.623 0.598) 9.578 7.451 ( 6.231 0.128 -1.001) 6.312 7.851 ( -8.736 7.848 0.051) 11.744 8.612 ( 12.961 19.583 -0.110) 23.484 9.158 ( -13.421 17.400 1.242) 22.010 9.557 ( 8.814 -13.267 7.555) 17.629 10.104 ( -11.255 -5.601 2.071) 12.741 10.744 ( 3.258 -3.959 6.229) 8.067 11.065 ( -8.904 -2.710 -4.305) 10.255 11.467 ( 8.356 -9.245 -0.241) 12.464 11.972 ( -10.992 0.709 -2.323) 11.257 13.170 ( -0.935 2.195 24.255) 24.372 13.633 ( -6.133 -7.858 -12.739) 16.176 14.040 ( 8.768 -1.381 6.790) 11.175 14.410 ( 8.424 -0.321 -10.046) 13.114 14.808 ( 0.929 2.070 -1.617) 2.786 14.947 ( -2.134 0.620 -3.835) 4.432 17.032 ( 23.825 -14.065 3.105) 27.841 17.833 ( -15.052 -9.552 -0.648) 17.839 18.640 ( 0.747 1.524 2.681) 3.173 18.999 ( -13.178 0.911 -9.268) 16.136 21.224 ( 10.104 -8.011 7.827) 15.084 21.662 ( -1.552 -5.265 -9.785) 11.219 24.387 ( -2.319 5.510 22.952) 23.717 24.802 ( -1.035 0.269 -17.969) 18.001 ======================= Grid point 511 (162/180) ======================= q-point: (-0.50 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( -0.000 -2.766 11.515) 11.842 3.050 ( 0.000 -2.164 -11.147) 11.355 3.256 ( -0.000 -2.451 8.452) 8.801 3.372 ( 0.000 -1.563 -3.065) 3.441 4.423 ( -0.000 -7.648 16.601) 18.278 4.708 ( 0.000 -11.730 4.121) 12.433 4.821 ( 0.000 -15.383 -0.723) 15.400 5.176 ( -0.000 -15.259 -19.729) 24.941 6.555 ( -0.000 17.135 11.017) 20.371 6.741 ( 0.000 14.201 -7.520) 16.069 7.005 ( -0.000 -2.227 0.778) 2.359 7.013 ( 0.000 -4.841 -0.122) 4.842 7.600 ( -0.000 6.319 3.438) 7.193 7.679 ( 0.000 5.871 -4.547) 7.426 8.878 ( -0.000 19.933 1.050) 19.961 8.883 ( 0.000 19.155 0.008) 19.155 9.688 ( 0.000 -6.549 16.962) 18.182 9.946 ( -0.000 -13.177 -7.171) 15.002 10.786 ( -0.000 0.287 9.175) 9.179 10.961 ( 0.000 -6.602 -7.396) 9.913 11.658 ( 0.000 -8.511 4.651) 9.698 11.764 ( 0.000 -3.780 -6.519) 7.535 13.159 ( 0.000 3.430 23.735) 23.982 13.563 ( 0.000 -6.311 -10.826) 12.531 14.153 ( 0.000 -1.207 9.499) 9.575 14.469 ( 0.000 -3.342 -15.724) 16.075 14.851 ( -0.000 4.406 1.652) 4.706 14.909 ( 0.000 3.322 -5.307) 6.261 17.446 ( 0.000 -11.809 4.673) 12.700 17.506 ( -0.000 -16.258 -0.507) 16.265 18.665 ( 0.000 3.973 4.469) 5.980 18.848 ( 0.000 -0.648 -12.500) 12.517 21.344 ( 0.000 -5.257 13.080) 14.097 21.628 ( 0.000 -7.496 -15.194) 16.943 24.363 ( 0.000 5.360 23.915) 24.508 24.791 ( 0.000 -0.072 -18.608) 18.608 ======================= Grid point 517 (163/180) ======================= q-point: ( 0.00 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 0.000 4.482 8.688) 9.776 2.220 ( 0.000 4.421 -7.370) 8.595 3.356 ( 0.000 9.596 11.267) 14.800 3.606 ( 0.000 10.891 -12.003) 16.208 4.283 ( 0.000 3.759 13.681) 14.188 4.566 ( 0.000 2.374 -14.188) 14.385 5.176 ( 0.000 3.617 18.696) 19.043 5.538 ( 0.000 -4.698 -16.646) 17.296 6.124 ( 0.000 4.676 7.331) 8.696 6.226 ( 0.000 5.291 -3.150) 6.157 7.163 ( 0.000 -0.361 3.684) 3.702 7.211 ( 0.000 -3.655 -0.397) 3.676 7.681 ( 0.000 7.133 2.584) 7.587 7.721 ( 0.000 8.915 -0.569) 8.933 8.209 ( 0.000 -13.349 -1.421) 13.425 8.240 ( 0.000 -15.304 -3.893) 15.792 9.806 ( 0.000 -8.648 10.183) 13.359 9.958 ( 0.000 -6.917 -4.683) 8.353 11.441 ( 0.000 1.242 8.399) 8.490 11.466 ( 0.000 0.231 7.751) 7.755 12.054 ( 0.000 13.612 14.023) 19.543 12.391 ( 0.000 9.336 -16.373) 18.848 12.969 ( 0.000 -5.633 10.301) 11.741 13.105 ( 0.000 -7.025 2.824) 7.572 13.813 ( 0.000 -18.883 6.678) 20.029 14.154 ( 0.000 -10.286 -18.822) 21.450 14.310 ( 0.000 2.019 -1.395) 2.454 14.368 ( 0.000 -9.174 -9.130) 12.943 17.292 ( 0.000 16.511 4.442) 17.098 17.401 ( 0.000 16.361 -6.387) 17.564 19.599 ( 0.000 -6.209 11.947) 13.464 19.793 ( 0.000 -4.941 -4.935) 6.984 20.590 ( 0.000 -7.598 2.909) 8.136 20.780 ( 0.000 -6.372 -13.476) 14.906 24.771 ( 0.000 2.390 7.811) 8.169 24.937 ( 0.000 -0.922 -8.523) 8.573 ======================= Grid point 518 (164/180) ======================= q-point: ( 0.10 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 4.053 3.193 6.097) 7.987 2.330 ( 9.555 3.551 -3.680) 10.837 3.287 ( -5.090 6.910 7.832) 11.619 3.504 ( -8.655 8.661 -11.135) 16.550 4.259 ( -1.948 4.165 10.073) 11.072 4.532 ( -3.131 0.949 -7.925) 8.574 5.290 ( 8.010 3.665 14.729) 17.162 5.583 ( 2.661 -4.015 -12.879) 13.750 6.109 ( 2.435 5.600 5.275) 8.069 6.285 ( 2.753 4.311 -2.617) 5.746 7.007 ( -6.807 -2.120 1.599) 7.307 7.303 ( 2.080 -3.971 0.621) 4.526 7.486 ( -7.808 8.195 0.855) 11.351 7.992 ( 12.250 4.585 0.677) 13.097 8.139 ( 3.057 2.082 -0.958) 3.821 8.442 ( 11.994 -20.716 -2.515) 24.069 9.737 ( -4.900 -7.735 5.466) 10.664 10.037 ( 6.154 -8.547 -0.339) 10.538 11.077 ( -16.743 -2.664 8.665) 19.039 11.803 ( 2.240 7.489 3.750) 8.670 11.831 ( -8.532 6.998 9.771) 14.740 12.436 ( 0.911 13.029 -8.528) 15.599 12.925 ( 0.023 -7.697 12.883) 15.007 13.228 ( 8.781 -7.811 -2.659) 12.050 13.700 ( -5.122 -17.074 0.226) 17.827 14.108 ( -4.339 1.736 -2.924) 5.513 14.452 ( 10.634 -3.223 -7.061) 13.166 14.533 ( 13.323 -16.041 -9.466) 22.901 16.794 ( -24.547 19.680 -0.480) 31.466 17.863 ( 21.670 13.263 -1.300) 25.439 19.192 ( -24.949 -9.072 4.456) 26.919 20.087 ( 7.626 -10.811 6.541) 14.759 20.264 ( -11.274 -0.246 -9.127) 14.508 21.101 ( 17.595 -6.891 -5.746) 19.750 24.734 ( -3.401 2.677 8.481) 9.521 24.925 ( -1.242 -0.743 -8.683) 8.803 ======================= Grid point 519 (165/180) ======================= q-point: ( 0.20 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 5.053 0.769 2.828) 5.842 2.560 ( 12.516 2.198 2.636) 12.978 3.215 ( -2.756 3.973 -0.441) 4.855 3.357 ( -2.083 0.231 -7.574) 7.858 4.199 ( -4.611 4.676 4.406) 7.908 4.459 ( -3.341 -0.350 -0.134) 3.362 5.308 ( -7.335 -6.908 5.005) 11.250 5.616 ( -2.265 -0.616 -3.565) 4.268 6.216 ( 6.479 6.794 6.186) 11.243 6.387 ( 10.958 5.985 -4.942) 13.428 6.966 ( 2.421 0.220 1.657) 2.941 7.292 ( -3.057 -6.599 0.545) 7.293 7.375 ( -2.725 12.111 -1.590) 12.515 8.092 ( 2.187 1.654 1.743) 3.249 8.398 ( 16.135 16.085 0.312) 22.785 8.693 ( 12.751 -22.261 -1.406) 25.693 9.636 ( -5.229 -6.668 3.038) 9.002 10.189 ( 9.016 -9.725 1.644) 13.363 10.765 ( -14.783 -2.550 10.006) 18.032 11.456 ( -16.964 3.699 -2.573) 17.552 11.772 ( -13.065 5.612 7.887) 16.260 12.421 ( -5.017 8.095 -3.030) 9.994 13.007 ( 8.351 -5.749 13.911) 17.214 13.429 ( 9.206 -10.353 -11.140) 17.778 13.709 ( 6.653 -5.233 4.987) 9.824 14.054 ( -0.190 -0.042 -3.274) 3.280 14.622 ( 7.101 1.646 -1.316) 7.407 14.809 ( 10.675 -19.050 -9.984) 24.011 16.438 ( -8.485 17.140 -0.562) 19.134 18.168 ( 5.564 8.781 -1.050) 10.449 18.726 ( -17.579 -12.766 3.192) 21.959 19.762 ( -21.383 -5.054 -2.523) 22.116 20.490 ( 15.724 -4.806 -0.860) 16.464 21.398 ( 11.228 -6.287 -4.321) 13.574 24.648 ( -4.723 3.440 10.720) 12.208 24.887 ( -2.354 -0.533 -9.776) 10.069 ======================= Grid point 520 (166/180) ======================= q-point: ( 0.30 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 8.764 -1.792 0.730) 8.975 2.806 ( 10.826 1.202 5.832) 12.355 3.149 ( -1.793 3.474 -1.052) 4.048 3.463 ( 8.491 -11.613 -6.688) 15.865 4.062 ( -7.644 5.315 0.955) 9.359 4.427 ( 0.404 -2.241 4.710) 5.231 5.087 ( -12.893 -12.133 1.899) 17.806 5.399 ( -16.829 -8.676 -5.919) 19.837 6.432 ( 13.758 9.503 2.942) 16.978 6.658 ( 13.193 12.530 1.447) 18.253 7.049 ( 4.218 0.828 0.746) 4.362 7.201 ( -4.583 2.179 0.093) 5.076 7.380 ( 2.946 8.517 -2.535) 9.362 8.105 ( -1.677 5.574 1.968) 6.144 8.695 ( 12.849 12.956 1.032) 18.276 8.967 ( 14.670 -16.549 0.132) 22.116 9.514 ( -7.062 -4.710 2.272) 8.788 10.356 ( -1.622 -0.403 8.723) 8.882 10.493 ( -3.945 -7.614 2.416) 8.910 11.191 ( -8.467 -2.818 -3.178) 9.472 11.445 ( -16.299 2.352 4.694) 17.123 12.209 ( -14.325 -3.477 -1.339) 14.801 13.180 ( 6.574 1.821 15.793) 17.204 13.538 ( 2.113 -6.830 -14.286) 15.975 13.877 ( 6.290 -0.255 11.211) 12.857 14.169 ( 12.194 -0.153 -8.927) 15.114 14.755 ( 5.974 0.055 -0.628) 6.007 14.919 ( 1.368 -7.812 -6.340) 10.154 16.485 ( 11.776 3.743 0.093) 12.357 17.983 ( -18.776 -9.447 0.316) 21.021 18.614 ( 2.253 -1.162 1.206) 2.808 19.344 ( -19.408 -1.745 -4.434) 19.984 20.799 ( 14.700 -6.721 0.905) 16.189 21.544 ( 3.205 -6.369 -4.468) 8.414 24.556 ( -4.092 4.300 13.646) 14.881 24.837 ( -2.447 -0.657 -11.598) 11.872 ======================= Grid point 521 (167/180) ======================= q-point: ( 0.40 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 14.579 -3.576 2.891) 15.287 2.962 ( 4.326 1.512 2.817) 5.379 3.167 ( 2.645 -1.842 -0.296) 3.237 3.484 ( -8.999 -9.717 -0.796) 13.268 4.058 ( 10.159 -0.972 0.273) 10.209 4.464 ( 2.713 -6.591 7.926) 10.659 4.809 ( -14.997 -11.003 2.324) 18.745 5.053 ( -14.639 -13.697 -15.680) 25.452 6.696 ( 10.936 9.436 3.071) 14.767 6.864 ( 6.590 13.666 3.599) 15.593 7.059 ( -2.382 0.183 0.984) 2.583 7.158 ( -0.485 12.833 -2.081) 13.010 7.516 ( 10.634 5.820 -1.181) 12.180 8.003 ( -8.510 7.083 0.931) 11.111 8.927 ( 10.691 5.808 1.410) 12.248 9.282 ( 14.195 -5.764 3.549) 15.726 9.352 ( -6.801 -2.645 1.304) 7.413 10.046 ( -18.619 2.675 6.542) 19.915 10.652 ( 9.011 -5.654 1.022) 10.687 11.038 ( -10.387 -1.365 1.582) 10.595 11.275 ( 3.813 -8.920 1.121) 9.765 11.886 ( -16.913 -9.721 -2.614) 19.682 13.257 ( 1.693 6.350 14.953) 16.334 13.533 ( -1.696 -1.327 -7.964) 8.250 14.007 ( 7.099 -1.696 6.583) 9.828 14.379 ( 5.030 -3.024 -10.371) 11.916 14.859 ( 4.803 2.595 -2.423) 5.972 14.943 ( 1.687 -0.677 -1.642) 2.450 16.818 ( 19.086 -7.539 1.564) 20.580 17.589 ( -19.219 -14.577 1.426) 24.164 18.669 ( 2.794 1.277 -0.085) 3.073 19.002 ( -13.864 -0.535 -5.718) 15.006 21.076 ( 12.289 -6.705 3.739) 14.490 21.536 ( -3.496 -7.309 -6.718) 10.525 24.491 ( -2.247 4.903 15.990) 16.875 24.795 ( -1.521 -1.021 -13.253) 13.379 ======================= Grid point 522 (168/180) ======================= q-point: (-0.50 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -0.000 -1.729 11.615) 11.743 2.994 ( 0.000 -3.572 -9.854) 10.481 3.194 ( -0.000 -3.642 7.642) 8.466 3.321 ( 0.000 -3.688 -4.374) 5.721 4.284 ( -0.000 -6.009 12.109) 13.518 4.492 ( 0.000 -9.027 14.743) 17.287 4.561 ( 0.000 -11.548 -11.698) 16.438 4.896 ( -0.000 -13.262 -20.768) 24.641 6.826 ( -0.000 10.515 6.891) 12.572 6.907 ( 0.000 5.525 -1.626) 5.759 7.051 ( 0.000 9.017 4.108) 9.909 7.138 ( 0.000 13.058 -3.908) 13.630 7.740 ( -0.000 7.529 3.185) 8.175 7.805 ( 0.000 6.356 -3.157) 7.097 9.138 ( 0.000 1.492 1.747) 2.297 9.142 ( -0.000 1.203 1.999) 2.333 9.588 ( 0.000 2.208 10.636) 10.863 9.729 ( 0.000 -3.306 -2.596) 4.203 10.793 ( -0.000 -0.161 5.358) 5.360 10.862 ( 0.000 -3.789 -1.569) 4.101 11.440 ( -0.000 -13.008 7.783) 15.159 11.611 ( 0.000 -11.606 -9.664) 15.102 13.271 ( 0.000 7.734 14.043) 16.032 13.511 ( 0.000 1.259 -5.781) 5.917 14.101 ( 0.000 -3.608 9.601) 10.256 14.399 ( 0.000 -3.899 -15.715) 16.192 14.936 ( -0.000 3.783 0.032) 3.783 14.953 ( 0.000 1.106 -2.395) 2.638 17.205 ( 0.001 -14.046 2.410) 14.251 17.208 ( -0.001 -11.975 1.913) 12.127 18.723 ( 0.000 2.173 1.570) 2.681 18.828 ( 0.000 -1.278 -8.483) 8.579 21.236 ( 0.000 -5.441 9.954) 11.344 21.465 ( 0.000 -8.835 -12.761) 15.521 24.468 ( 0.000 5.110 16.889) 17.645 24.779 ( 0.000 -1.217 -13.929) 13.982 ======================= Grid point 528 (169/180) ======================= q-point: ( 0.00 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 0.000 3.986 3.249) 5.142 2.265 ( 0.000 0.404 -9.429) 9.438 3.566 ( 0.000 11.146 13.409) 17.437 3.797 ( 0.000 7.473 -7.719) 10.744 4.350 ( 0.000 3.827 9.515) 10.256 4.597 ( 0.000 0.124 -13.464) 13.465 5.266 ( 0.000 4.981 9.376) 10.617 5.457 ( 0.000 -3.417 -9.282) 9.891 6.194 ( 0.000 2.703 7.118) 7.614 6.289 ( 0.000 1.123 -2.509) 2.748 7.134 ( 0.000 -1.723 2.250) 2.833 7.141 ( 0.000 -2.884 1.579) 3.287 7.794 ( 0.000 -4.553 1.077) 4.679 7.802 ( 0.000 0.139 0.572) 0.589 8.053 ( 0.000 0.814 1.354) 1.580 8.131 ( 0.000 7.342 -6.526) 9.824 9.586 ( 0.000 -12.407 10.536) 16.277 9.743 ( 0.000 -13.732 -5.011) 14.618 11.457 ( 0.000 0.463 8.675) 8.687 11.470 ( 0.000 0.035 7.699) 7.699 12.342 ( 0.000 15.002 16.678) 22.432 12.553 ( 0.000 6.837 -2.118) 7.158 12.885 ( 0.000 -2.977 6.297) 6.965 13.002 ( 0.000 -3.375 1.721) 3.789 13.496 ( 0.000 -12.980 -4.322) 13.680 13.765 ( 0.000 -20.118 -23.716) 31.100 14.371 ( 0.000 3.258 -2.590) 4.162 14.401 ( 0.000 3.414 -4.497) 5.646 17.580 ( 0.000 12.442 3.809) 13.013 17.660 ( 0.000 10.019 -4.120) 10.833 19.524 ( 0.000 -1.110 14.748) 14.790 19.726 ( 0.000 -2.550 -0.844) 2.686 20.435 ( 0.000 -7.044 -1.724) 7.252 20.629 ( 0.000 -8.714 -16.456) 18.621 24.794 ( 0.000 0.451 4.297) 4.320 24.896 ( 0.000 -2.850 -5.736) 6.405 ======================= Grid point 529 (170/180) ======================= q-point: ( 0.10 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 1.894 2.628 0.696) 3.313 2.367 ( 8.917 0.547 -6.479) 11.035 3.452 ( -9.487 9.226 10.032) 16.606 3.661 ( -11.314 6.417 -6.979) 14.761 4.339 ( -1.078 4.349 7.120) 8.413 4.543 ( -4.267 -0.088 -8.254) 9.292 5.311 ( -1.980 -2.266 2.515) 3.922 5.561 ( 9.773 2.218 -2.285) 10.279 6.203 ( 4.231 3.904 5.591) 8.025 6.329 ( 1.501 0.439 -2.842) 3.244 6.954 ( -6.128 -2.807 2.421) 7.162 7.239 ( 1.808 -1.064 0.611) 2.185 7.686 ( -3.629 7.840 0.954) 8.692 7.961 ( 8.889 -2.176 1.136) 9.221 8.090 ( 6.236 -12.404 -2.109) 14.042 8.366 ( 17.268 14.634 -1.581) 22.690 9.535 ( -4.135 -11.699 6.932) 14.213 9.788 ( 3.932 -15.509 -1.991) 16.123 11.027 ( -18.664 -2.296 7.247) 20.153 11.884 ( 11.929 1.271 11.676) 16.740 12.029 ( -19.468 11.832 3.926) 23.117 12.652 ( -4.226 4.810 5.023) 8.138 12.814 ( 0.771 -0.890 8.305) 8.388 13.072 ( 5.846 -7.043 -4.114) 10.035 13.452 ( 4.669 -6.455 -3.631) 8.755 13.998 ( 11.991 -15.573 -15.094) 24.782 14.280 ( 0.406 1.052 -6.635) 6.730 14.539 ( 6.879 1.938 -2.467) 7.561 17.146 ( -21.672 15.693 -0.221) 26.758 18.071 ( 19.385 7.952 -0.033) 20.953 19.035 ( -31.852 -6.676 5.811) 33.059 19.875 ( -3.828 -10.118 8.077) 13.501 20.299 ( 1.723 3.632 -10.794) 11.518 20.940 ( 18.518 -9.084 -7.520) 21.954 24.763 ( -2.784 0.728 4.244) 5.127 24.889 ( -0.871 -2.575 -5.392) 6.038 ======================= Grid point 530 (171/180) ======================= q-point: ( 0.20 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 2.965 0.557 -0.663) 3.089 2.586 ( 11.958 0.535 -3.169) 12.383 3.282 ( -5.078 3.235 2.282) 6.439 3.429 ( -10.297 5.493 -3.879) 12.298 4.297 ( -3.731 5.409 2.449) 7.012 4.451 ( -4.292 -0.387 0.269) 4.318 5.123 ( -14.140 -10.773 -2.623) 17.969 5.612 ( -10.536 -0.543 1.195) 10.617 6.346 ( 11.969 6.526 2.917) 13.941 6.495 ( 15.920 4.776 -1.738) 16.712 6.944 ( 3.646 -1.829 2.672) 4.877 7.261 ( 1.266 3.092 0.327) 3.357 7.653 ( -0.276 13.479 -0.118) 13.482 8.124 ( 6.270 1.769 2.350) 6.925 8.263 ( 9.926 -18.231 -1.331) 20.800 8.738 ( 18.424 16.127 -0.067) 24.485 9.440 ( -5.181 -11.803 3.845) 13.451 9.911 ( 8.966 -16.965 -0.060) 19.189 10.713 ( -12.753 -2.989 7.564) 15.125 11.589 ( -20.903 8.939 1.756) 22.802 11.853 ( -14.288 2.612 8.258) 16.708 12.396 ( -18.086 -10.884 -0.810) 21.124 12.996 ( 15.119 5.653 7.275) 17.705 13.288 ( 12.188 -3.363 1.621) 12.747 13.657 ( 13.529 0.463 1.514) 13.622 14.070 ( 0.107 -1.302 -8.313) 8.416 14.489 ( 14.984 -10.471 -12.301) 22.034 14.658 ( 5.146 -0.303 -1.287) 5.313 16.784 ( -13.161 17.483 -0.504) 21.889 18.253 ( -17.818 -2.320 1.261) 18.012 18.509 ( -2.448 -6.636 2.254) 7.424 19.624 ( -16.251 -7.732 1.798) 18.086 20.473 ( 11.542 2.202 -5.213) 12.855 21.258 ( 11.973 -7.512 -4.621) 14.870 24.695 ( -3.699 1.600 5.115) 6.512 24.858 ( -2.098 -2.142 -5.600) 6.352 ======================= Grid point 531 (172/180) ======================= q-point: ( 0.30 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 6.650 -1.131 -0.132) 6.746 2.818 ( 10.194 0.421 0.305) 10.207 3.254 ( -3.452 4.875 0.209) 5.977 3.286 ( 0.539 -5.221 -4.770) 7.093 4.165 ( -8.638 5.363 0.738) 10.194 4.392 ( -1.629 -1.179 5.945) 6.276 4.833 ( -12.856 -13.153 -6.272) 19.432 5.238 ( -22.470 -7.356 -2.372) 23.762 6.639 ( 14.494 10.902 1.484) 18.197 6.863 ( 17.622 7.812 3.441) 19.581 7.039 ( 5.402 0.362 0.642) 5.452 7.309 ( 3.825 7.775 1.220) 8.751 7.645 ( -0.770 15.571 -1.589) 15.671 8.191 ( 0.019 3.097 2.450) 3.949 8.469 ( 10.252 -20.002 0.050) 22.477 9.091 ( 15.822 11.339 1.190) 19.502 9.322 ( -5.757 -9.957 2.021) 11.678 10.160 ( 14.959 -14.380 1.459) 20.801 10.482 ( -11.074 0.794 7.460) 13.376 11.209 ( -15.629 4.998 -1.132) 16.447 11.490 ( -18.992 1.739 6.163) 20.043 12.008 ( -19.503 -15.179 -2.382) 24.828 13.260 ( 9.862 6.119 9.307) 14.877 13.487 ( 6.997 0.480 -1.724) 7.223 13.893 ( 6.967 1.987 8.695) 11.318 14.151 ( 8.589 -2.450 -11.547) 14.598 14.732 ( 7.036 -2.253 -2.834) 7.913 14.796 ( 10.174 -4.150 -6.253) 12.643 16.641 ( -0.720 11.461 -0.345) 11.489 17.717 ( -25.366 -16.559 1.520) 30.331 18.622 ( 5.001 1.267 0.233) 5.164 19.287 ( -16.466 -3.594 -0.908) 16.878 20.720 ( 12.632 -1.521 -2.505) 12.968 21.409 ( 3.031 -6.875 -3.604) 8.333 24.624 ( -3.092 2.747 6.824) 7.980 24.809 ( -2.545 -1.946 -6.680) 7.408 ======================= Grid point 532 (173/180) ======================= q-point: ( 0.40 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 14.227 -2.370 2.594) 14.654 2.972 ( 4.036 -0.201 1.569) 4.335 3.170 ( -3.885 1.660 0.815) 4.303 3.296 ( -3.454 -8.506 -3.290) 9.752 4.062 ( 2.021 0.593 0.485) 2.161 4.372 ( -0.577 -2.488 7.603) 8.021 4.615 ( -10.722 -8.616 -5.051) 14.653 4.808 ( -16.923 -10.829 -11.173) 22.989 6.890 ( 9.801 9.801 1.695) 13.964 7.050 ( 1.905 5.479 4.446) 7.308 7.207 ( 8.693 13.244 2.719) 16.074 7.404 ( 3.365 11.772 -0.642) 12.260 7.670 ( 6.122 10.038 -1.696) 11.879 8.113 ( -7.741 3.915 1.609) 8.823 8.679 ( 10.616 -20.699 0.984) 23.283 9.110 ( -9.344 -18.403 2.303) 20.767 9.484 ( 17.393 16.630 1.645) 24.120 10.199 ( -15.136 10.007 6.779) 19.370 10.499 ( 15.092 -10.578 1.243) 18.472 10.982 ( -8.571 -3.026 1.622) 9.233 11.178 ( -8.422 -1.365 2.695) 8.948 11.622 ( -18.265 -15.734 -3.696) 24.389 13.399 ( 4.199 7.568 9.730) 13.022 13.575 ( 2.088 4.251 -3.253) 5.746 13.988 ( 3.900 0.160 8.065) 8.959 14.292 ( 3.394 -5.633 -12.044) 13.723 14.862 ( 6.429 -2.467 0.784) 6.931 14.962 ( 4.742 2.773 -4.187) 6.907 16.741 ( 9.667 -0.274 0.412) 9.680 17.289 ( -17.285 -15.503 1.254) 23.253 18.691 ( 2.737 0.993 -0.915) 3.051 18.984 ( -12.896 -1.123 -2.410) 13.167 20.973 ( 11.962 -3.655 0.042) 12.508 21.391 ( -4.318 -6.995 -4.283) 9.269 24.575 ( -1.630 3.759 8.625) 9.549 24.764 ( -1.766 -2.088 -8.115) 8.564 ======================= Grid point 533 (174/180) ======================= q-point: (-0.50 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -0.000 0.056 10.066) 10.066 2.914 ( 0.000 -4.339 -4.828) 6.491 3.128 ( -0.000 -2.657 4.760) 5.451 3.235 ( 0.000 -4.793 -5.011) 6.934 4.200 ( -0.000 -2.507 7.099) 7.529 4.352 ( -0.000 -7.091 -0.818) 7.138 4.392 ( 0.000 -3.673 0.351) 3.690 4.661 ( -0.000 -10.554 -17.763) 20.662 7.015 ( -0.000 9.006 4.144) 9.914 7.041 ( 0.000 7.398 1.375) 7.524 7.303 ( 0.000 15.711 6.156) 16.874 7.412 ( 0.000 14.580 -4.099) 15.145 7.880 ( -0.000 6.468 1.594) 6.661 7.909 ( 0.000 3.819 -0.890) 3.921 8.888 ( 0.000 -21.207 2.568) 21.362 8.909 ( -0.000 -19.008 0.667) 19.020 9.813 ( -0.000 15.743 7.056) 17.252 9.888 ( 0.000 14.344 -0.118) 14.345 10.753 ( -0.000 -4.741 5.152) 7.001 10.785 ( 0.000 -4.987 1.918) 5.343 11.196 ( -0.000 -10.266 5.709) 11.747 11.348 ( 0.000 -13.678 -9.647) 16.738 13.440 ( 0.000 8.822 9.288) 12.810 13.592 ( 0.000 5.696 -3.086) 6.478 14.037 ( 0.000 -2.047 9.823) 10.034 14.313 ( 0.000 -5.050 -14.550) 15.401 14.957 ( -0.000 -0.349 0.463) 0.580 14.985 ( 0.000 1.013 -1.943) 2.191 16.973 ( 0.000 -9.282 2.240) 9.549 16.997 ( -0.000 -9.218 0.087) 9.219 18.756 ( 0.000 1.360 0.164) 1.370 18.805 ( 0.000 -0.977 -4.686) 4.787 21.145 ( 0.000 -3.467 5.653) 6.632 21.296 ( 0.000 -8.000 -9.278) 12.251 24.559 ( 0.000 4.187 9.471) 10.355 24.745 ( 0.000 -2.235 -8.853) 9.131 ======================= Grid point 539 (175/180) ======================= q-point: ( 0.00 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 0.000 2.989 -2.522) 3.911 2.248 ( 0.000 -1.873 -7.147) 7.389 3.762 ( 0.000 8.214 11.326) 13.991 3.861 ( 0.000 -1.240 3.599) 3.807 4.449 ( 0.000 6.017 -2.300) 6.442 4.557 ( 0.000 -4.206 -10.954) 11.734 5.351 ( 0.000 3.432 2.553) 4.277 5.403 ( 0.000 -2.336 -2.589) 3.487 6.240 ( 0.000 2.243 4.283) 4.835 6.281 ( 0.000 -1.614 0.228) 1.630 7.107 ( 0.000 -0.639 1.737) 1.851 7.110 ( 0.000 -0.715 1.552) 1.709 7.694 ( 0.000 -2.905 1.195) 3.141 7.712 ( 0.000 -4.455 -0.445) 4.477 8.216 ( 0.000 9.589 2.967) 10.038 8.286 ( 0.000 3.884 -4.069) 5.625 9.400 ( 0.000 -4.030 5.797) 7.060 9.481 ( 0.000 -11.057 -2.193) 11.272 11.462 ( 0.000 0.183 8.870) 8.872 11.467 ( 0.000 -0.246 8.361) 8.364 12.600 ( 0.000 9.640 21.574) 23.630 12.653 ( 0.000 2.899 15.059) 15.336 12.856 ( 0.000 0.719 -2.737) 2.830 12.935 ( 0.000 -4.922 -3.358) 5.958 13.338 ( 0.000 -1.651 -14.518) 14.612 13.446 ( 0.000 -11.775 -19.952) 23.168 14.424 ( 0.000 1.961 -4.226) 4.659 14.440 ( 0.000 0.500 -5.338) 5.361 17.759 ( 0.000 5.441 1.366) 5.609 17.786 ( 0.000 2.688 -1.294) 2.984 19.558 ( 0.000 4.281 15.907) 16.473 19.659 ( 0.000 -4.835 9.846) 10.969 20.366 ( 0.000 0.896 -12.185) 12.218 20.460 ( 0.000 -7.719 -17.646) 19.260 24.805 ( 0.000 1.029 0.741) 1.268 24.840 ( 0.000 -2.510 -2.693) 3.681 ======================= Grid point 540 (176/180) ======================= q-point: ( 0.10 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 0.265 1.061 -4.664) 4.791 2.366 ( 9.231 -0.303 -5.015) 10.509 3.611 ( -13.276 5.810 6.863) 16.034 3.728 ( -10.554 0.512 2.690) 10.903 4.434 ( -1.287 5.017 -0.903) 5.258 4.517 ( -3.163 -2.838 -7.203) 8.363 5.251 ( -9.894 -2.329 -0.650) 10.185 5.617 ( 13.487 2.073 1.560) 13.734 6.264 ( 1.923 2.258 2.549) 3.911 6.317 ( 5.196 -1.235 -0.154) 5.343 6.913 ( -5.707 -1.100 2.369) 6.277 7.253 ( 5.152 1.444 0.624) 5.387 7.671 ( 2.066 -4.770 0.046) 5.198 7.903 ( 10.541 -2.406 1.855) 10.970 8.091 ( -0.314 5.920 -0.544) 5.953 8.618 ( 20.301 8.593 0.115) 22.045 9.353 ( -3.862 -4.392 3.579) 6.856 9.494 ( 1.257 -12.116 -0.762) 12.205 10.996 ( -20.277 -0.781 6.791) 21.398 11.882 ( 10.532 -0.651 12.555) 16.400 12.257 ( -18.306 10.434 5.248) 21.714 12.544 ( -18.820 -9.403 1.844) 21.119 12.917 ( 4.132 5.197 7.133) 9.745 12.992 ( 10.717 -1.765 9.700) 14.563 13.451 ( 12.746 5.871 -11.507) 18.147 13.687 ( 15.298 -14.208 -17.469) 27.222 14.328 ( -2.481 1.869 -6.416) 7.128 14.559 ( 5.426 0.285 -3.752) 6.603 17.375 ( -17.947 6.591 -0.472) 19.125 18.173 ( 18.041 2.497 0.493) 18.220 18.943 ( -39.744 -2.485 7.166) 40.461 19.722 ( -6.613 -4.556 9.115) 12.148 20.389 ( 5.447 4.278 -10.599) 12.661 20.776 ( 20.684 -6.221 -9.792) 23.715 24.775 ( -2.485 0.553 0.089) 2.548 24.841 ( -0.405 -1.799 -1.869) 2.626 ======================= Grid point 541 (177/180) ======================= q-point: ( 0.20 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 1.702 0.171 -4.338) 4.663 2.589 ( 12.186 -0.062 -4.709) 13.064 3.338 ( -11.221 1.876 1.073) 11.427 3.515 ( -9.563 2.517 2.116) 10.112 4.399 ( -2.486 4.015 0.237) 4.728 4.445 ( -3.759 -0.210 -0.924) 3.877 4.938 ( -19.055 -6.383 -3.832) 20.458 5.596 ( -17.384 -0.685 2.041) 17.517 6.455 ( 20.551 3.748 0.094) 20.890 6.558 ( 15.411 1.388 0.999) 15.505 6.918 ( 4.512 -0.628 2.903) 5.402 7.360 ( 5.960 5.343 0.226) 8.007 7.740 ( 4.039 -4.908 0.451) 6.372 8.059 ( 6.486 -1.665 1.034) 6.775 8.207 ( 7.700 5.602 1.365) 9.620 8.966 ( 9.096 3.201 2.443) 9.948 9.304 ( 2.278 3.945 0.660) 4.603 9.572 ( 8.456 -16.761 -0.464) 18.779 10.665 ( -12.415 -1.433 6.073) 13.895 11.743 ( -18.165 4.384 13.285) 22.928 11.918 ( -17.623 6.562 -1.189) 18.842 12.132 ( -21.280 -13.386 -4.002) 25.456 13.140 ( 15.575 6.801 8.953) 19.209 13.244 ( 12.792 -2.584 13.764) 18.967 13.737 ( 13.911 7.525 -5.271) 16.671 13.940 ( 8.490 -10.351 -12.630) 18.405 14.400 ( 11.155 -0.396 -10.941) 15.630 14.644 ( 3.169 -0.807 -2.809) 4.311 17.072 ( -11.689 9.692 -0.786) 15.205 18.104 ( -39.874 -7.519 3.649) 40.740 18.485 ( 11.178 0.865 0.497) 11.222 19.506 ( -13.087 -3.513 4.361) 14.235 20.532 ( 8.213 2.518 -6.945) 11.046 21.134 ( 13.378 -4.081 -5.169) 14.911 24.718 ( -2.895 0.798 0.141) 3.006 24.818 ( -1.811 -1.473 -1.536) 2.794 ======================= Grid point 542 (178/180) ======================= q-point: ( 0.30 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 5.600 -0.394 -1.623) 5.844 2.825 ( 10.271 0.251 -4.452) 11.198 3.197 ( -3.233 -2.053 -2.197) 4.415 3.359 ( -6.088 3.062 2.592) 7.291 4.265 ( -11.806 3.837 7.041) 14.272 4.391 ( -1.560 1.492 0.828) 2.312 4.603 ( -10.945 -9.062 -12.084) 18.653 5.132 ( -25.154 -2.963 -0.408) 25.332 6.816 ( 13.462 5.869 1.756) 14.790 6.960 ( 19.232 2.211 4.083) 19.785 7.054 ( 11.329 0.388 0.109) 11.336 7.493 ( 6.900 9.966 0.547) 12.134 7.815 ( 3.009 -3.372 0.318) 4.530 8.163 ( 2.596 -2.467 2.010) 4.107 8.314 ( 2.877 5.156 1.017) 5.991 8.929 ( -8.221 -13.713 1.796) 16.089 9.484 ( 13.103 14.482 0.923) 19.552 9.870 ( 19.023 -14.074 -0.134) 23.664 10.480 ( -6.619 -0.401 6.267) 9.124 11.348 ( -19.690 6.818 7.283) 22.073 11.525 ( -19.701 3.405 1.113) 20.024 11.705 ( -20.343 -14.022 -4.728) 25.156 13.384 ( 8.953 5.018 13.988) 17.350 13.498 ( 10.399 -0.187 0.776) 10.430 13.950 ( 6.255 3.315 7.093) 10.021 14.074 ( 6.297 -4.357 -13.627) 15.631 14.699 ( 5.529 -0.749 -2.117) 5.968 14.744 ( 16.892 -1.444 -9.409) 19.389 16.897 ( -6.232 12.588 -0.581) 14.058 17.388 ( -28.533 -14.623 1.752) 32.110 18.645 ( 4.766 0.807 -0.336) 4.845 19.228 ( -13.898 -1.876 1.828) 14.143 20.718 ( 10.078 0.521 -4.630) 11.102 21.302 ( 3.367 -3.334 -3.113) 5.669 24.666 ( -2.101 1.416 0.627) 2.610 24.772 ( -2.624 -1.466 -1.683) 3.445 ======================= Grid point 543 (179/180) ======================= q-point: ( 0.40 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 14.031 -0.799 2.214) 14.227 2.971 ( 3.130 0.168 -2.341) 3.912 3.160 ( -1.764 -3.271 -2.609) 4.540 3.217 ( -9.198 0.886 3.510) 9.885 4.069 ( -2.344 0.120 3.660) 4.348 4.367 ( -1.222 1.457 -0.554) 1.980 4.480 ( -3.949 -4.811 -10.278) 12.016 4.652 ( -20.381 -4.405 -3.501) 21.144 7.041 ( 8.504 4.598 2.429) 9.968 7.125 ( 3.933 1.846 4.597) 6.325 7.438 ( 17.610 7.147 0.803) 19.022 7.627 ( 5.954 12.119 1.063) 13.545 7.853 ( 1.252 3.015 -0.288) 3.278 8.135 ( -5.573 -1.948 2.949) 6.599 8.370 ( 4.269 -4.740 -0.370) 6.390 8.728 ( -10.790 -17.121 0.473) 20.243 9.797 ( 16.983 13.283 2.493) 21.704 10.252 ( 15.887 -11.190 1.193) 19.469 10.363 ( -4.280 4.261 6.226) 8.674 10.968 ( -17.509 1.086 4.772) 18.180 11.189 ( -11.933 2.854 0.078) 12.270 11.334 ( -15.601 -12.154 -4.114) 20.200 13.529 ( 5.492 4.819 10.408) 12.717 13.634 ( 3.386 0.835 -1.048) 3.642 14.032 ( 2.801 4.263 5.566) 7.550 14.172 ( 2.802 -6.098 -9.839) 11.910 14.810 ( 6.996 -1.936 -0.707) 7.294 15.010 ( 5.438 1.505 -4.367) 7.135 16.807 ( -1.670 6.825 0.073) 7.027 17.006 ( -10.369 -12.686 0.366) 16.389 18.707 ( 2.341 0.495 -1.294) 2.720 18.965 ( -11.508 -0.598 -0.129) 11.524 20.931 ( 10.721 -0.835 -2.709) 11.090 21.286 ( -4.431 -3.153 -2.416) 5.950 24.638 ( -0.695 2.399 1.560) 2.945 24.720 ( -2.228 -2.012 -2.454) 3.877 ======================= Grid point 544 (180/180) ======================= q-point: (-0.50 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -0.000 1.951 6.589) 6.872 2.834 ( 0.000 -3.595 1.383) 3.852 3.105 ( 0.000 0.510 0.486) 0.705 3.148 ( 0.000 -3.685 -3.359) 4.986 4.185 ( 0.000 0.927 1.927) 2.138 4.236 ( 0.000 -4.286 -2.927) 5.190 4.391 ( 0.000 2.735 -2.364) 3.615 4.488 ( -0.000 -7.025 -11.123) 13.155 7.145 ( -0.000 3.642 3.911) 5.344 7.151 ( 0.000 3.028 3.271) 4.457 7.638 ( 0.000 15.785 3.245) 16.116 7.684 ( 0.000 10.814 -1.007) 10.861 7.947 ( -0.000 0.607 2.503) 2.575 7.973 ( 0.000 1.519 -0.133) 1.525 8.491 ( 0.000 -14.189 2.142) 14.350 8.538 ( -0.000 -15.846 -2.337) 16.017 10.104 ( -0.000 12.179 6.463) 13.788 10.149 ( 0.000 9.260 2.287) 9.538 10.614 ( -0.000 -6.721 4.669) 8.183 10.647 ( 0.000 -8.172 1.894) 8.388 11.085 ( -0.000 -1.140 0.602) 1.289 11.139 ( 0.000 -6.746 -5.093) 8.452 13.592 ( 0.000 6.149 6.778) 9.151 13.660 ( 0.000 -0.137 1.701) 1.707 14.064 ( 0.000 5.159 3.181) 6.061 14.196 ( 0.000 -6.943 -7.940) 10.547 14.956 ( -0.000 0.561 -0.274) 0.625 14.978 ( 0.000 -1.273 -2.295) 2.624 16.853 ( 0.000 -2.824 0.719) 2.914 16.864 ( -0.000 -3.917 -0.320) 3.930 18.778 ( -0.000 0.816 -0.706) 1.079 18.790 ( 0.000 -0.586 -2.040) 2.123 21.113 ( 0.000 0.457 0.518) 0.691 21.166 ( 0.000 -4.904 -4.729) 6.813 24.633 ( 0.000 3.414 2.590) 4.285 24.694 ( 0.000 -2.875 -3.450) 4.491 =================== 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 3/35640 10.0 4548.345 2129.051 3661.686 0.000 0.000 0.000 3/35640 20.0 971.790 686.561 561.002 0.000 0.000 0.000 3/35640 30.0 301.934 273.132 174.323 0.000 0.000 0.000 3/35640 40.0 146.053 144.891 85.719 0.000 0.000 0.000 3/35640 50.0 87.799 90.578 52.429 0.000 0.000 0.000 3/35640 60.0 59.806 62.778 36.283 0.000 0.000 0.000 3/35640 70.0 44.140 46.720 27.151 0.000 0.000 0.000 3/35640 80.0 34.428 36.613 21.429 0.000 0.000 0.000 3/35640 90.0 27.949 29.824 17.575 0.000 0.000 0.000 3/35640 100.0 23.386 25.024 14.838 0.000 0.000 0.000 3/35640 110.0 20.033 21.488 12.812 0.000 0.000 0.000 3/35640 120.0 17.484 18.795 11.263 0.000 0.000 0.000 3/35640 130.0 15.494 16.687 10.045 0.000 0.000 0.000 3/35640 140.0 13.904 14.998 9.066 0.000 0.000 0.000 3/35640 150.0 12.608 13.618 8.264 0.000 0.000 0.000 3/35640 160.0 11.534 12.472 7.596 0.000 0.000 0.000 3/35640 170.0 10.631 11.506 7.032 0.000 0.000 0.000 3/35640 180.0 9.863 10.681 6.549 0.000 0.000 0.000 3/35640 190.0 9.201 9.970 6.131 0.000 0.000 0.000 3/35640 200.0 8.626 9.350 5.766 0.000 0.000 0.000 3/35640 210.0 8.121 8.805 5.445 0.000 0.000 0.000 3/35640 220.0 7.675 8.322 5.159 0.000 0.000 0.000 3/35640 230.0 7.277 7.892 4.904 0.000 0.000 0.000 3/35640 240.0 6.921 7.505 4.674 0.000 0.000 0.000 3/35640 250.0 6.599 7.157 4.466 0.000 0.000 0.000 3/35640 260.0 6.308 6.840 4.277 0.000 0.000 0.000 3/35640 270.0 6.042 6.552 4.104 0.000 0.000 0.000 3/35640 280.0 5.799 6.288 3.946 0.000 0.000 0.000 3/35640 290.0 5.576 6.045 3.799 0.000 0.000 0.000 3/35640 300.0 5.370 5.821 3.664 0.000 0.000 0.000 3/35640 310.0 5.179 5.614 3.539 0.000 0.000 0.000 3/35640 320.0 5.002 5.421 3.422 0.000 0.000 0.000 3/35640 330.0 4.837 5.242 3.313 0.000 0.000 0.000 3/35640 340.0 4.684 5.075 3.212 0.000 0.000 0.000 3/35640 350.0 4.540 4.918 3.116 0.000 0.000 0.000 3/35640 360.0 4.405 4.771 3.026 0.000 0.000 0.000 3/35640 370.0 4.278 4.633 2.942 0.000 0.000 0.000 3/35640 380.0 4.158 4.503 2.862 0.000 0.000 0.000 3/35640 390.0 4.045 4.380 2.787 0.000 0.000 0.000 3/35640 400.0 3.938 4.265 2.715 0.000 0.000 0.000 3/35640 410.0 3.837 4.155 2.647 0.000 0.000 0.000 3/35640 420.0 3.741 4.051 2.583 0.000 0.000 0.000 3/35640 430.0 3.650 3.952 2.522 0.000 0.000 0.000 3/35640 440.0 3.564 3.858 2.464 0.000 0.000 0.000 3/35640 450.0 3.481 3.768 2.408 0.000 0.000 0.000 3/35640 460.0 3.403 3.683 2.355 0.000 0.000 0.000 3/35640 470.0 3.327 3.601 2.304 0.000 0.000 0.000 3/35640 480.0 3.256 3.523 2.255 0.000 0.000 0.000 3/35640 490.0 3.187 3.449 2.209 0.000 0.000 0.000 3/35640 500.0 3.121 3.377 2.164 0.000 0.000 0.000 3/35640 510.0 3.058 3.309 2.122 0.000 0.000 0.000 3/35640 520.0 2.998 3.243 2.080 0.000 0.000 0.000 3/35640 530.0 2.939 3.180 2.041 0.000 0.000 0.000 3/35640 540.0 2.884 3.119 2.003 0.000 0.000 0.000 3/35640 550.0 2.830 3.061 1.966 0.000 0.000 0.000 3/35640 560.0 2.778 3.005 1.931 0.000 0.000 0.000 3/35640 570.0 2.728 2.951 1.897 0.000 0.000 0.000 3/35640 580.0 2.680 2.899 1.864 0.000 0.000 0.000 3/35640 590.0 2.634 2.848 1.832 0.000 0.000 0.000 3/35640 600.0 2.589 2.800 1.802 0.000 0.000 0.000 3/35640 610.0 2.545 2.753 1.772 0.000 0.000 0.000 3/35640 620.0 2.504 2.707 1.743 0.000 0.000 0.000 3/35640 630.0 2.463 2.664 1.716 0.000 0.000 0.000 3/35640 640.0 2.424 2.621 1.689 0.000 0.000 0.000 3/35640 650.0 2.386 2.580 1.663 0.000 0.000 0.000 3/35640 660.0 2.349 2.540 1.637 0.000 0.000 0.000 3/35640 670.0 2.314 2.502 1.613 0.000 0.000 0.000 3/35640 680.0 2.279 2.464 1.589 0.000 0.000 0.000 3/35640 690.0 2.246 2.428 1.566 0.000 0.000 0.000 3/35640 700.0 2.213 2.393 1.544 0.000 0.000 0.000 3/35640 710.0 2.181 2.358 1.522 0.000 0.000 0.000 3/35640 720.0 2.151 2.325 1.501 0.000 0.000 0.000 3/35640 730.0 2.121 2.293 1.480 0.000 0.000 0.000 3/35640 740.0 2.092 2.261 1.460 0.000 0.000 0.000 3/35640 750.0 2.064 2.231 1.441 0.000 0.000 0.000 3/35640 760.0 2.036 2.201 1.422 0.000 0.000 0.000 3/35640 770.0 2.009 2.172 1.403 0.000 0.000 0.000 3/35640 780.0 1.983 2.144 1.385 0.000 0.000 0.000 3/35640 790.0 1.958 2.117 1.368 0.000 0.000 0.000 3/35640 800.0 1.933 2.090 1.351 0.000 0.000 0.000 3/35640 810.0 1.909 2.064 1.334 0.000 0.000 0.000 3/35640 820.0 1.886 2.038 1.318 0.000 0.000 0.000 3/35640 830.0 1.863 2.013 1.302 0.000 0.000 0.000 3/35640 840.0 1.840 1.989 1.286 0.000 0.000 0.000 3/35640 850.0 1.818 1.965 1.271 0.000 0.000 0.000 3/35640 860.0 1.797 1.942 1.256 0.000 0.000 0.000 3/35640 870.0 1.776 1.920 1.242 0.000 0.000 0.000 3/35640 880.0 1.756 1.898 1.228 0.000 0.000 0.000 3/35640 890.0 1.736 1.876 1.214 0.000 0.000 0.000 3/35640 900.0 1.716 1.855 1.201 0.000 0.000 0.000 3/35640 910.0 1.697 1.835 1.187 0.000 0.000 0.000 3/35640 920.0 1.679 1.815 1.175 0.000 0.000 0.000 3/35640 930.0 1.661 1.795 1.162 0.000 0.000 0.000 3/35640 940.0 1.643 1.776 1.150 0.000 0.000 0.000 3/35640 950.0 1.625 1.757 1.137 0.000 0.000 0.000 3/35640 960.0 1.608 1.738 1.126 0.000 0.000 0.000 3/35640 970.0 1.592 1.720 1.114 0.000 0.000 0.000 3/35640 980.0 1.575 1.703 1.103 0.000 0.000 0.000 3/35640 990.0 1.559 1.685 1.092 0.000 0.000 0.000 3/35640 1000.0 1.544 1.668 1.081 0.000 0.000 0.000 3/35640 Thermal conductivity related properties were written into "kappa-m10119.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:07:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|