----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:46:49]------------------------- 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 2 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.861315409235104 0.000000000000000 0.000000000000000 b -2.930657704617552 5.076048043990783 0.000000000000000 c 0.000000000000000 0.000000000000000 4.389965780000000 Atomic positions (fractional): *1 Na 0.66666666666667 0.33333333333333 0.04650851182020 22.990 2 Na 0.33333333333333 0.66666666666667 0.95349148817980 22.990 *3 H 0.67542873031174 0.81636228762077 0.42620362020341 1.008 4 H 0.18363771237923 0.85906644269097 0.42620362020341 1.008 5 H 0.14093355730903 0.32457126968826 0.42620362020341 1.008 6 H 0.32457126968826 0.18363771237923 0.57379637979659 1.008 7 H 0.81636228762077 0.14093355730903 0.57379637979659 1.008 8 H 0.85906644269097 0.67542873031174 0.57379637979659 1.008 *9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 *10 O 0.70538599408248 0.71996324096734 0.25600129023739 15.999 11 O 0.28003675903266 0.98542275311515 0.25600129023739 15.999 12 O 0.01457724688485 0.29461400591752 0.25600129023739 15.999 13 O 0.29461400591752 0.28003675903266 0.74399870976261 15.999 14 O 0.71996324096734 0.01457724688485 0.74399870976261 15.999 15 O 0.98542275311515 0.70538599408248 0.74399870976261 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.861315409235104 0.000000000000000 0.000000000000000 b -2.930657704617552 5.076048043990783 0.000000000000000 c 0.000000000000000 0.000000000000000 4.389965780000000 Atomic positions (fractional): *1 Na 0.66666666666667 0.33333333333333 0.04650851182020 22.990 > 1 2 Na 0.33333333333333 0.66666666666667 0.95349148817980 22.990 > 2 *3 H 0.67542873031174 0.81636228762077 0.42620362020341 1.008 > 3 4 H 0.18363771237923 0.85906644269097 0.42620362020341 1.008 > 4 5 H 0.14093355730903 0.32457126968826 0.42620362020341 1.008 > 5 6 H 0.32457126968826 0.18363771237923 0.57379637979659 1.008 > 6 7 H 0.81636228762077 0.14093355730903 0.57379637979659 1.008 > 7 8 H 0.85906644269097 0.67542873031174 0.57379637979659 1.008 > 8 *9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 9 *10 O 0.70538599408248 0.71996324096734 0.25600129023739 15.999 > 10 11 O 0.28003675903266 0.98542275311515 0.25600129023739 15.999 > 11 12 O 0.01457724688485 0.29461400591752 0.25600129023739 15.999 > 12 13 O 0.29461400591752 0.28003675903266 0.74399870976261 15.999 > 13 14 O 0.71996324096734 0.01457724688485 0.74399870976261 15.999 > 14 15 O 0.98542275311515 0.70538599408248 0.74399870976261 15.999 > 15 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.722630818470208 0.000000000000000 0.000000000000000 b -5.861315409235104 10.152096087981565 0.000000000000000 c 0.000000000000000 0.000000000000000 8.779931560000000 Atomic positions (fractional): *1 Na 0.33333333333333 0.16666666666667 0.02325425591010 22.990 > 1 2 Na 0.83333333333333 0.16666666666667 0.02325425591010 22.990 > 1 3 Na 0.33333333333333 0.66666666666667 0.02325425591010 22.990 > 1 4 Na 0.83333333333333 0.66666666666667 0.02325425591010 22.990 > 1 5 Na 0.33333333333333 0.16666666666667 0.52325425591010 22.990 > 1 6 Na 0.83333333333333 0.16666666666667 0.52325425591010 22.990 > 1 7 Na 0.33333333333333 0.66666666666667 0.52325425591010 22.990 > 1 8 Na 0.83333333333333 0.66666666666667 0.52325425591010 22.990 > 1 9 Na 0.16666666666667 0.33333333333333 0.47674574408990 22.990 > 2 10 Na 0.66666666666667 0.33333333333333 0.47674574408990 22.990 > 2 11 Na 0.16666666666667 0.83333333333333 0.47674574408990 22.990 > 2 12 Na 0.66666666666667 0.83333333333333 0.47674574408990 22.990 > 2 13 Na 0.16666666666667 0.33333333333333 0.97674574408990 22.990 > 2 14 Na 0.66666666666667 0.33333333333333 0.97674574408990 22.990 > 2 15 Na 0.16666666666667 0.83333333333333 0.97674574408990 22.990 > 2 16 Na 0.66666666666667 0.83333333333333 0.97674574408990 22.990 > 2 *17 H 0.33771436515587 0.40818114381039 0.21310181010170 1.008 > 3 18 H 0.83771436515587 0.40818114381039 0.21310181010170 1.008 > 3 19 H 0.33771436515587 0.90818114381039 0.21310181010170 1.008 > 3 20 H 0.83771436515587 0.90818114381039 0.21310181010170 1.008 > 3 21 H 0.33771436515587 0.40818114381039 0.71310181010170 1.008 > 3 22 H 0.83771436515587 0.40818114381039 0.71310181010170 1.008 > 3 23 H 0.33771436515587 0.90818114381039 0.71310181010170 1.008 > 3 24 H 0.83771436515587 0.90818114381039 0.71310181010170 1.008 > 3 25 H 0.09181885618961 0.42953322134549 0.21310181010170 1.008 > 4 26 H 0.59181885618961 0.42953322134549 0.21310181010170 1.008 > 4 27 H 0.09181885618961 0.92953322134549 0.21310181010170 1.008 > 4 28 H 0.59181885618961 0.92953322134549 0.21310181010170 1.008 > 4 29 H 0.09181885618961 0.42953322134549 0.71310181010170 1.008 > 4 30 H 0.59181885618961 0.42953322134549 0.71310181010170 1.008 > 4 31 H 0.09181885618961 0.92953322134549 0.71310181010170 1.008 > 4 32 H 0.59181885618961 0.92953322134549 0.71310181010170 1.008 > 4 33 H 0.07046677865451 0.16228563484413 0.21310181010170 1.008 > 5 34 H 0.57046677865451 0.16228563484413 0.21310181010170 1.008 > 5 35 H 0.07046677865451 0.66228563484413 0.21310181010170 1.008 > 5 36 H 0.57046677865451 0.66228563484413 0.21310181010170 1.008 > 5 37 H 0.07046677865451 0.16228563484413 0.71310181010170 1.008 > 5 38 H 0.57046677865451 0.16228563484413 0.71310181010170 1.008 > 5 39 H 0.07046677865451 0.66228563484413 0.71310181010170 1.008 > 5 40 H 0.57046677865451 0.66228563484413 0.71310181010170 1.008 > 5 41 H 0.16228563484413 0.09181885618961 0.28689818989830 1.008 > 6 42 H 0.66228563484413 0.09181885618961 0.28689818989830 1.008 > 6 43 H 0.16228563484413 0.59181885618961 0.28689818989830 1.008 > 6 44 H 0.66228563484413 0.59181885618961 0.28689818989830 1.008 > 6 45 H 0.16228563484413 0.09181885618961 0.78689818989830 1.008 > 6 46 H 0.66228563484413 0.09181885618961 0.78689818989830 1.008 > 6 47 H 0.16228563484413 0.59181885618961 0.78689818989830 1.008 > 6 48 H 0.66228563484413 0.59181885618961 0.78689818989830 1.008 > 6 49 H 0.40818114381039 0.07046677865451 0.28689818989830 1.008 > 7 50 H 0.90818114381039 0.07046677865451 0.28689818989830 1.008 > 7 51 H 0.40818114381039 0.57046677865451 0.28689818989830 1.008 > 7 52 H 0.90818114381039 0.57046677865451 0.28689818989830 1.008 > 7 53 H 0.40818114381039 0.07046677865451 0.78689818989830 1.008 > 7 54 H 0.90818114381039 0.07046677865451 0.78689818989830 1.008 > 7 55 H 0.40818114381039 0.57046677865451 0.78689818989830 1.008 > 7 56 H 0.90818114381039 0.57046677865451 0.78689818989830 1.008 > 7 57 H 0.42953322134549 0.33771436515587 0.28689818989830 1.008 > 8 58 H 0.92953322134549 0.33771436515587 0.28689818989830 1.008 > 8 59 H 0.42953322134549 0.83771436515587 0.28689818989830 1.008 > 8 60 H 0.92953322134549 0.83771436515587 0.28689818989830 1.008 > 8 61 H 0.42953322134549 0.33771436515587 0.78689818989830 1.008 > 8 62 H 0.92953322134549 0.33771436515587 0.78689818989830 1.008 > 8 63 H 0.42953322134549 0.83771436515587 0.78689818989830 1.008 > 8 64 H 0.92953322134549 0.83771436515587 0.78689818989830 1.008 > 8 *65 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 9 66 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 9 67 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 9 68 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 9 69 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 9 70 Pt 0.50000000000000 0.00000000000000 0.50000000000000 195.084 > 9 71 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 9 72 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 9 *73 O 0.35269299704124 0.35998162048367 0.12800064511869 15.999 > 10 74 O 0.85269299704124 0.35998162048367 0.12800064511869 15.999 > 10 75 O 0.35269299704124 0.85998162048367 0.12800064511869 15.999 > 10 76 O 0.85269299704124 0.85998162048367 0.12800064511869 15.999 > 10 77 O 0.35269299704124 0.35998162048367 0.62800064511869 15.999 > 10 78 O 0.85269299704124 0.35998162048367 0.62800064511869 15.999 > 10 79 O 0.35269299704124 0.85998162048367 0.62800064511869 15.999 > 10 80 O 0.85269299704124 0.85998162048367 0.62800064511869 15.999 > 10 81 O 0.14001837951633 0.49271137655757 0.12800064511869 15.999 > 11 82 O 0.64001837951633 0.49271137655757 0.12800064511869 15.999 > 11 83 O 0.14001837951633 0.99271137655757 0.12800064511869 15.999 > 11 84 O 0.64001837951633 0.99271137655757 0.12800064511869 15.999 > 11 85 O 0.14001837951633 0.49271137655757 0.62800064511869 15.999 > 11 86 O 0.64001837951633 0.49271137655757 0.62800064511869 15.999 > 11 87 O 0.14001837951633 0.99271137655757 0.62800064511869 15.999 > 11 88 O 0.64001837951633 0.99271137655757 0.62800064511869 15.999 > 11 89 O 0.00728862344243 0.14730700295876 0.12800064511869 15.999 > 12 90 O 0.50728862344243 0.14730700295876 0.12800064511869 15.999 > 12 91 O 0.00728862344243 0.64730700295876 0.12800064511869 15.999 > 12 92 O 0.50728862344243 0.64730700295876 0.12800064511869 15.999 > 12 93 O 0.00728862344243 0.14730700295876 0.62800064511869 15.999 > 12 94 O 0.50728862344243 0.14730700295876 0.62800064511869 15.999 > 12 95 O 0.00728862344243 0.64730700295876 0.62800064511869 15.999 > 12 96 O 0.50728862344243 0.64730700295876 0.62800064511869 15.999 > 12 97 O 0.14730700295876 0.14001837951633 0.37199935488131 15.999 > 13 98 O 0.64730700295876 0.14001837951633 0.37199935488131 15.999 > 13 99 O 0.14730700295876 0.64001837951633 0.37199935488131 15.999 > 13 100 O 0.64730700295876 0.64001837951633 0.37199935488131 15.999 > 13 101 O 0.14730700295876 0.14001837951633 0.87199935488131 15.999 > 13 102 O 0.64730700295876 0.14001837951633 0.87199935488131 15.999 > 13 103 O 0.14730700295876 0.64001837951633 0.87199935488131 15.999 > 13 104 O 0.64730700295876 0.64001837951633 0.87199935488131 15.999 > 13 105 O 0.35998162048367 0.00728862344243 0.37199935488131 15.999 > 14 106 O 0.85998162048367 0.00728862344243 0.37199935488131 15.999 > 14 107 O 0.35998162048367 0.50728862344243 0.37199935488131 15.999 > 14 108 O 0.85998162048367 0.50728862344243 0.37199935488131 15.999 > 14 109 O 0.35998162048367 0.00728862344243 0.87199935488131 15.999 > 14 110 O 0.85998162048367 0.00728862344243 0.87199935488131 15.999 > 14 111 O 0.35998162048367 0.50728862344243 0.87199935488131 15.999 > 14 112 O 0.85998162048367 0.50728862344243 0.87199935488131 15.999 > 14 113 O 0.49271137655757 0.35269299704124 0.37199935488131 15.999 > 15 114 O 0.99271137655757 0.35269299704124 0.37199935488131 15.999 > 15 115 O 0.49271137655757 0.85269299704124 0.37199935488131 15.999 > 15 116 O 0.99271137655757 0.85269299704124 0.37199935488131 15.999 > 15 117 O 0.49271137655757 0.35269299704124 0.87199935488131 15.999 > 15 118 O 0.99271137655757 0.35269299704124 0.87199935488131 15.999 > 15 119 O 0.49271137655757 0.85269299704124 0.87199935488131 15.999 > 15 120 O 0.99271137655757 0.85269299704124 0.87199935488131 15.999 > 15 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9817878 -0.0000001 0.0000000 0.0000001 2.9817878 0.0000000 0.0000000 0.0000000 3.6961187 -------------------------- Born effective charges -------------------------- 1 Na 1.2338550 0.0116281 0.0000000 -0.0116281 1.2338550 0.0000000 0.0000000 0.0000000 0.8686280 2 Na 1.2338550 0.0116281 0.0000000 -0.0116281 1.2338550 0.0000000 0.0000000 0.0000000 0.8686280 3 H 0.3660988 -0.0646362 -0.0584590 -0.0437414 0.2695546 0.2073697 -0.1955161 0.5003023 1.0678521 4 H 0.2467618 -0.0251578 -0.1503579 -0.0042630 0.3888916 -0.1543118 -0.3355165 -0.4194730 1.0678521 5 H 0.3406196 0.0584518 0.2088169 0.0793466 0.2950339 -0.0530579 0.5310325 -0.0808293 1.0678521 6 H 0.3660988 -0.0646362 -0.0584590 -0.0437414 0.2695546 0.2073697 -0.1955161 0.5003023 1.0678521 7 H 0.2467618 -0.0251578 -0.1503579 -0.0042630 0.3888916 -0.1543118 -0.3355165 -0.4194730 1.0678521 8 H 0.3406196 0.0584518 0.2088169 0.0793466 0.2950339 -0.0530579 0.5310325 -0.0808293 1.0678521 9 Pt 1.7953261 -0.1699073 0.0000000 0.1699073 1.7953261 0.0000000 0.0000000 0.0000000 2.7394449 10 O -0.9753505 -0.2791701 0.1679615 -0.3489486 -1.0813150 0.2910191 0.2804470 0.3164580 -1.8139689 11 O -1.3268072 0.1460349 -0.3360107 0.0762564 -0.7298583 -0.0000506 -0.4142842 0.0846452 -1.8139689 12 O -0.7828405 0.2378029 0.1680492 0.1680244 -1.2738250 -0.2909685 0.1338372 -0.4011033 -1.8139689 13 O -0.9753505 -0.2791701 0.1679615 -0.3489486 -1.0813150 0.2910191 0.2804470 0.3164580 -1.8139689 14 O -1.3268072 0.1460349 -0.3360107 0.0762564 -0.7298583 -0.0000506 -0.4142842 0.0846452 -1.8139689 15 O -0.7828405 0.2378029 0.1680492 0.1680244 -1.2738250 -0.2909685 0.1338372 -0.4011033 -1.8139689 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 8550/8550 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1416 Number of blocks in projector: 652 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 596 Use submatrix version of eigh solver. (1) Block: 596 / 596 (2) Block: 250 / 596 (2) 242 eigenvectors found. (2) Block: 500 / 596 (2) 242 eigenvectors found. (2) Block: 596 / 596 (2) 88 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 588 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 176 Use standard eigh solver. Tree of FC basis block matrices: - (1416, 1393), data: False |-- (176, 172), data: True |-- (596, 588), data: False |-- (596, 588), data: False |-- (596, 16), data: (596, 24) @ (24, 16) |-- (96, 88), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 633), data: False |-- (644, 7), data: (644, 18) @ (18, 7) |-- (144, 137), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 320 - Time: 1.979 Solver_block: 200 / 320 - Time: 2.009 Solver_block: 300 / 320 - Time: 2.011 Solver_block: 320 / 320 - Time: 0.485 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.519 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xy) 0.00000000 (xy) Permutation basis: 360/360 Permutation basis: 8550/8550 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1416 Number of blocks in projector: 652 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 596 Use submatrix version of eigh solver. (1) Block: 596 / 596 (2) Block: 250 / 596 (2) 242 eigenvectors found. (2) Block: 500 / 596 (2) 242 eigenvectors found. (2) Block: 596 / 596 (2) 88 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 588 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 176 Use standard eigh solver. Tree of FC basis block matrices: - (1416, 1393), data: False |-- (176, 172), data: True |-- (596, 588), data: False |-- (596, 588), data: False |-- (596, 16), data: (596, 24) @ (24, 16) |-- (96, 88), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 633), data: False |-- (644, 7), data: (644, 18) @ (18, 7) |-- (144, 137), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xy) 0.00000000 (xy) 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 20:47:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:47:10]------------------------- 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 2 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.861315409235104 0.000000000000000 0.000000000000000 b -2.930657704617552 5.076048043990783 0.000000000000000 c 0.000000000000000 0.000000000000000 4.389965780000000 Atomic positions (fractional): 1 Na 0.66666666666667 0.33333333333333 0.04650851182020 22.990 2 Na 0.33333333333333 0.66666666666667 0.95349148817980 22.990 3 H 0.67542873031174 0.81636228762077 0.42620362020341 1.008 4 H 0.18363771237923 0.85906644269097 0.42620362020341 1.008 5 H 0.14093355730903 0.32457126968826 0.42620362020341 1.008 6 H 0.32457126968826 0.18363771237923 0.57379637979659 1.008 7 H 0.81636228762077 0.14093355730903 0.57379637979659 1.008 8 H 0.85906644269097 0.67542873031174 0.57379637979659 1.008 9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 10 O 0.70538599408248 0.71996324096734 0.25600129023739 15.999 11 O 0.28003675903266 0.98542275311515 0.25600129023739 15.999 12 O 0.01457724688485 0.29461400591752 0.25600129023739 15.999 13 O 0.29461400591752 0.28003675903266 0.74399870976261 15.999 14 O 0.71996324096734 0.01457724688485 0.74399870976261 15.999 15 O 0.98542275311515 0.70538599408248 0.74399870976261 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.722630818470208 0.000000000000000 0.000000000000000 b -5.861315409235104 10.152096087981565 0.000000000000000 c 0.000000000000000 0.000000000000000 8.779931560000000 Atomic positions (fractional): 1 Na 0.33333333333333 0.16666666666667 0.02325425591010 22.990 > 1 2 Na 0.83333333333333 0.16666666666667 0.02325425591010 22.990 > 1 3 Na 0.33333333333333 0.66666666666667 0.02325425591010 22.990 > 1 4 Na 0.83333333333333 0.66666666666667 0.02325425591010 22.990 > 1 5 Na 0.33333333333333 0.16666666666667 0.52325425591010 22.990 > 1 6 Na 0.83333333333333 0.16666666666667 0.52325425591010 22.990 > 1 7 Na 0.33333333333333 0.66666666666667 0.52325425591010 22.990 > 1 8 Na 0.83333333333333 0.66666666666667 0.52325425591010 22.990 > 1 9 Na 0.16666666666667 0.33333333333333 0.47674574408990 22.990 > 9 10 Na 0.66666666666667 0.33333333333333 0.47674574408990 22.990 > 9 11 Na 0.16666666666667 0.83333333333333 0.47674574408990 22.990 > 9 12 Na 0.66666666666667 0.83333333333333 0.47674574408990 22.990 > 9 13 Na 0.16666666666667 0.33333333333333 0.97674574408990 22.990 > 9 14 Na 0.66666666666667 0.33333333333333 0.97674574408990 22.990 > 9 15 Na 0.16666666666667 0.83333333333333 0.97674574408990 22.990 > 9 16 Na 0.66666666666667 0.83333333333333 0.97674574408990 22.990 > 9 17 H 0.33771436515587 0.40818114381039 0.21310181010170 1.008 > 17 18 H 0.83771436515587 0.40818114381039 0.21310181010170 1.008 > 17 19 H 0.33771436515587 0.90818114381039 0.21310181010170 1.008 > 17 20 H 0.83771436515587 0.90818114381039 0.21310181010170 1.008 > 17 21 H 0.33771436515587 0.40818114381039 0.71310181010170 1.008 > 17 22 H 0.83771436515587 0.40818114381039 0.71310181010170 1.008 > 17 23 H 0.33771436515587 0.90818114381039 0.71310181010170 1.008 > 17 24 H 0.83771436515587 0.90818114381039 0.71310181010170 1.008 > 17 25 H 0.09181885618961 0.42953322134549 0.21310181010170 1.008 > 25 26 H 0.59181885618961 0.42953322134549 0.21310181010170 1.008 > 25 27 H 0.09181885618961 0.92953322134549 0.21310181010170 1.008 > 25 28 H 0.59181885618961 0.92953322134549 0.21310181010170 1.008 > 25 29 H 0.09181885618961 0.42953322134549 0.71310181010170 1.008 > 25 30 H 0.59181885618961 0.42953322134549 0.71310181010170 1.008 > 25 31 H 0.09181885618961 0.92953322134549 0.71310181010170 1.008 > 25 32 H 0.59181885618961 0.92953322134549 0.71310181010170 1.008 > 25 33 H 0.07046677865451 0.16228563484413 0.21310181010170 1.008 > 33 34 H 0.57046677865451 0.16228563484413 0.21310181010170 1.008 > 33 35 H 0.07046677865451 0.66228563484413 0.21310181010170 1.008 > 33 36 H 0.57046677865451 0.66228563484413 0.21310181010170 1.008 > 33 37 H 0.07046677865451 0.16228563484413 0.71310181010170 1.008 > 33 38 H 0.57046677865451 0.16228563484413 0.71310181010170 1.008 > 33 39 H 0.07046677865451 0.66228563484413 0.71310181010170 1.008 > 33 40 H 0.57046677865451 0.66228563484413 0.71310181010170 1.008 > 33 41 H 0.16228563484413 0.09181885618961 0.28689818989830 1.008 > 41 42 H 0.66228563484413 0.09181885618961 0.28689818989830 1.008 > 41 43 H 0.16228563484413 0.59181885618961 0.28689818989830 1.008 > 41 44 H 0.66228563484413 0.59181885618961 0.28689818989830 1.008 > 41 45 H 0.16228563484413 0.09181885618961 0.78689818989830 1.008 > 41 46 H 0.66228563484413 0.09181885618961 0.78689818989830 1.008 > 41 47 H 0.16228563484413 0.59181885618961 0.78689818989830 1.008 > 41 48 H 0.66228563484413 0.59181885618961 0.78689818989830 1.008 > 41 49 H 0.40818114381039 0.07046677865451 0.28689818989830 1.008 > 49 50 H 0.90818114381039 0.07046677865451 0.28689818989830 1.008 > 49 51 H 0.40818114381039 0.57046677865451 0.28689818989830 1.008 > 49 52 H 0.90818114381039 0.57046677865451 0.28689818989830 1.008 > 49 53 H 0.40818114381039 0.07046677865451 0.78689818989830 1.008 > 49 54 H 0.90818114381039 0.07046677865451 0.78689818989830 1.008 > 49 55 H 0.40818114381039 0.57046677865451 0.78689818989830 1.008 > 49 56 H 0.90818114381039 0.57046677865451 0.78689818989830 1.008 > 49 57 H 0.42953322134549 0.33771436515587 0.28689818989830 1.008 > 57 58 H 0.92953322134549 0.33771436515587 0.28689818989830 1.008 > 57 59 H 0.42953322134549 0.83771436515587 0.28689818989830 1.008 > 57 60 H 0.92953322134549 0.83771436515587 0.28689818989830 1.008 > 57 61 H 0.42953322134549 0.33771436515587 0.78689818989830 1.008 > 57 62 H 0.92953322134549 0.33771436515587 0.78689818989830 1.008 > 57 63 H 0.42953322134549 0.83771436515587 0.78689818989830 1.008 > 57 64 H 0.92953322134549 0.83771436515587 0.78689818989830 1.008 > 57 65 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 65 66 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 65 67 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 65 68 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 65 69 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 65 70 Pt 0.50000000000000 0.00000000000000 0.50000000000000 195.084 > 65 71 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 65 72 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 65 73 O 0.35269299704124 0.35998162048367 0.12800064511869 15.999 > 73 74 O 0.85269299704124 0.35998162048367 0.12800064511869 15.999 > 73 75 O 0.35269299704124 0.85998162048367 0.12800064511869 15.999 > 73 76 O 0.85269299704124 0.85998162048367 0.12800064511869 15.999 > 73 77 O 0.35269299704124 0.35998162048367 0.62800064511869 15.999 > 73 78 O 0.85269299704124 0.35998162048367 0.62800064511869 15.999 > 73 79 O 0.35269299704124 0.85998162048367 0.62800064511869 15.999 > 73 80 O 0.85269299704124 0.85998162048367 0.62800064511869 15.999 > 73 81 O 0.14001837951633 0.49271137655757 0.12800064511869 15.999 > 81 82 O 0.64001837951633 0.49271137655757 0.12800064511869 15.999 > 81 83 O 0.14001837951633 0.99271137655757 0.12800064511869 15.999 > 81 84 O 0.64001837951633 0.99271137655757 0.12800064511869 15.999 > 81 85 O 0.14001837951633 0.49271137655757 0.62800064511869 15.999 > 81 86 O 0.64001837951633 0.49271137655757 0.62800064511869 15.999 > 81 87 O 0.14001837951633 0.99271137655757 0.62800064511869 15.999 > 81 88 O 0.64001837951633 0.99271137655757 0.62800064511869 15.999 > 81 89 O 0.00728862344243 0.14730700295876 0.12800064511869 15.999 > 89 90 O 0.50728862344243 0.14730700295876 0.12800064511869 15.999 > 89 91 O 0.00728862344243 0.64730700295876 0.12800064511869 15.999 > 89 92 O 0.50728862344243 0.64730700295876 0.12800064511869 15.999 > 89 93 O 0.00728862344243 0.14730700295876 0.62800064511869 15.999 > 89 94 O 0.50728862344243 0.14730700295876 0.62800064511869 15.999 > 89 95 O 0.00728862344243 0.64730700295876 0.62800064511869 15.999 > 89 96 O 0.50728862344243 0.64730700295876 0.62800064511869 15.999 > 89 97 O 0.14730700295876 0.14001837951633 0.37199935488131 15.999 > 97 98 O 0.64730700295876 0.14001837951633 0.37199935488131 15.999 > 97 99 O 0.14730700295876 0.64001837951633 0.37199935488131 15.999 > 97 100 O 0.64730700295876 0.64001837951633 0.37199935488131 15.999 > 97 101 O 0.14730700295876 0.14001837951633 0.87199935488131 15.999 > 97 102 O 0.64730700295876 0.14001837951633 0.87199935488131 15.999 > 97 103 O 0.14730700295876 0.64001837951633 0.87199935488131 15.999 > 97 104 O 0.64730700295876 0.64001837951633 0.87199935488131 15.999 > 97 105 O 0.35998162048367 0.00728862344243 0.37199935488131 15.999 > 105 106 O 0.85998162048367 0.00728862344243 0.37199935488131 15.999 > 105 107 O 0.35998162048367 0.50728862344243 0.37199935488131 15.999 > 105 108 O 0.85998162048367 0.50728862344243 0.37199935488131 15.999 > 105 109 O 0.35998162048367 0.00728862344243 0.87199935488131 15.999 > 105 110 O 0.85998162048367 0.00728862344243 0.87199935488131 15.999 > 105 111 O 0.35998162048367 0.50728862344243 0.87199935488131 15.999 > 105 112 O 0.85998162048367 0.50728862344243 0.87199935488131 15.999 > 105 113 O 0.49271137655757 0.35269299704124 0.37199935488131 15.999 > 113 114 O 0.99271137655757 0.35269299704124 0.37199935488131 15.999 > 113 115 O 0.49271137655757 0.85269299704124 0.37199935488131 15.999 > 113 116 O 0.99271137655757 0.85269299704124 0.37199935488131 15.999 > 113 117 O 0.49271137655757 0.35269299704124 0.87199935488131 15.999 > 113 118 O 0.99271137655757 0.35269299704124 0.87199935488131 15.999 > 113 119 O 0.49271137655757 0.85269299704124 0.87199935488131 15.999 > 113 120 O 0.99271137655757 0.85269299704124 0.87199935488131 15.999 > 113 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9817878 -0.0000001 0.0000000 0.0000001 2.9817878 0.0000000 0.0000000 0.0000000 3.6961187 -------------------------- Born effective charges -------------------------- 1 Na 1.2338550 0.0116281 0.0000000 -0.0116281 1.2338550 0.0000000 0.0000000 0.0000000 0.8686280 2 Na 1.2338550 0.0116281 0.0000000 -0.0116281 1.2338550 0.0000000 0.0000000 0.0000000 0.8686280 3 H 0.3660988 -0.0646362 -0.0584590 -0.0437414 0.2695546 0.2073697 -0.1955161 0.5003023 1.0678521 4 H 0.2467618 -0.0251578 -0.1503579 -0.0042630 0.3888916 -0.1543118 -0.3355165 -0.4194730 1.0678521 5 H 0.3406196 0.0584518 0.2088169 0.0793466 0.2950339 -0.0530579 0.5310325 -0.0808293 1.0678521 6 H 0.3660988 -0.0646362 -0.0584590 -0.0437414 0.2695546 0.2073697 -0.1955161 0.5003023 1.0678521 7 H 0.2467618 -0.0251578 -0.1503579 -0.0042630 0.3888916 -0.1543118 -0.3355165 -0.4194730 1.0678521 8 H 0.3406196 0.0584518 0.2088169 0.0793466 0.2950339 -0.0530579 0.5310325 -0.0808293 1.0678521 9 Pt 1.7953261 -0.1699073 0.0000000 0.1699073 1.7953261 0.0000000 0.0000000 0.0000000 2.7394449 10 O -0.9753505 -0.2791701 0.1679615 -0.3489486 -1.0813150 0.2910191 0.2804470 0.3164580 -1.8139689 11 O -1.3268072 0.1460349 -0.3360107 0.0762564 -0.7298583 -0.0000506 -0.4142842 0.0846452 -1.8139689 12 O -0.7828405 0.2378029 0.1680492 0.1680244 -1.2738250 -0.2909685 0.1338372 -0.4011033 -1.8139689 13 O -0.9753505 -0.2791701 0.1679615 -0.3489486 -1.0813150 0.2910191 0.2804470 0.3164580 -1.8139689 14 O -1.3268072 0.1460349 -0.3360107 0.0762564 -0.7298583 -0.0000506 -0.4142842 0.0846452 -1.8139689 15 O -0.7828405 0.2378029 0.1680492 0.1680244 -1.2738250 -0.2909685 0.1338372 -0.4011033 -1.8139689 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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: 0.00000062 (zzz) 0.00000062 (zzz) 0.00000062 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000024 (xy) 0.00000024 (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 20:47:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:47:26]------------------------- 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 2 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.861315409235104 0.000000000000000 0.000000000000000 b -2.930657704617552 5.076048043990783 0.000000000000000 c 0.000000000000000 0.000000000000000 4.389965780000000 Atomic positions (fractional): 1 Na 0.66666666666667 0.33333333333333 0.04650851182020 22.990 2 Na 0.33333333333333 0.66666666666667 0.95349148817980 22.990 3 H 0.67542873031174 0.81636228762077 0.42620362020341 1.008 4 H 0.18363771237923 0.85906644269097 0.42620362020341 1.008 5 H 0.14093355730903 0.32457126968826 0.42620362020341 1.008 6 H 0.32457126968826 0.18363771237923 0.57379637979659 1.008 7 H 0.81636228762077 0.14093355730903 0.57379637979659 1.008 8 H 0.85906644269097 0.67542873031174 0.57379637979659 1.008 9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 10 O 0.70538599408248 0.71996324096734 0.25600129023739 15.999 11 O 0.28003675903266 0.98542275311515 0.25600129023739 15.999 12 O 0.01457724688485 0.29461400591752 0.25600129023739 15.999 13 O 0.29461400591752 0.28003675903266 0.74399870976261 15.999 14 O 0.71996324096734 0.01457724688485 0.74399870976261 15.999 15 O 0.98542275311515 0.70538599408248 0.74399870976261 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.722630818470208 0.000000000000000 0.000000000000000 b -5.861315409235104 10.152096087981565 0.000000000000000 c 0.000000000000000 0.000000000000000 8.779931560000000 Atomic positions (fractional): 1 Na 0.33333333333333 0.16666666666667 0.02325425591010 22.990 > 1 2 Na 0.83333333333333 0.16666666666667 0.02325425591010 22.990 > 1 3 Na 0.33333333333333 0.66666666666667 0.02325425591010 22.990 > 1 4 Na 0.83333333333333 0.66666666666667 0.02325425591010 22.990 > 1 5 Na 0.33333333333333 0.16666666666667 0.52325425591010 22.990 > 1 6 Na 0.83333333333333 0.16666666666667 0.52325425591010 22.990 > 1 7 Na 0.33333333333333 0.66666666666667 0.52325425591010 22.990 > 1 8 Na 0.83333333333333 0.66666666666667 0.52325425591010 22.990 > 1 9 Na 0.16666666666667 0.33333333333333 0.47674574408990 22.990 > 9 10 Na 0.66666666666667 0.33333333333333 0.47674574408990 22.990 > 9 11 Na 0.16666666666667 0.83333333333333 0.47674574408990 22.990 > 9 12 Na 0.66666666666667 0.83333333333333 0.47674574408990 22.990 > 9 13 Na 0.16666666666667 0.33333333333333 0.97674574408990 22.990 > 9 14 Na 0.66666666666667 0.33333333333333 0.97674574408990 22.990 > 9 15 Na 0.16666666666667 0.83333333333333 0.97674574408990 22.990 > 9 16 Na 0.66666666666667 0.83333333333333 0.97674574408990 22.990 > 9 17 H 0.33771436515587 0.40818114381039 0.21310181010170 1.008 > 17 18 H 0.83771436515587 0.40818114381039 0.21310181010170 1.008 > 17 19 H 0.33771436515587 0.90818114381039 0.21310181010170 1.008 > 17 20 H 0.83771436515587 0.90818114381039 0.21310181010170 1.008 > 17 21 H 0.33771436515587 0.40818114381039 0.71310181010170 1.008 > 17 22 H 0.83771436515587 0.40818114381039 0.71310181010170 1.008 > 17 23 H 0.33771436515587 0.90818114381039 0.71310181010170 1.008 > 17 24 H 0.83771436515587 0.90818114381039 0.71310181010170 1.008 > 17 25 H 0.09181885618961 0.42953322134549 0.21310181010170 1.008 > 25 26 H 0.59181885618961 0.42953322134549 0.21310181010170 1.008 > 25 27 H 0.09181885618961 0.92953322134549 0.21310181010170 1.008 > 25 28 H 0.59181885618961 0.92953322134549 0.21310181010170 1.008 > 25 29 H 0.09181885618961 0.42953322134549 0.71310181010170 1.008 > 25 30 H 0.59181885618961 0.42953322134549 0.71310181010170 1.008 > 25 31 H 0.09181885618961 0.92953322134549 0.71310181010170 1.008 > 25 32 H 0.59181885618961 0.92953322134549 0.71310181010170 1.008 > 25 33 H 0.07046677865451 0.16228563484413 0.21310181010170 1.008 > 33 34 H 0.57046677865451 0.16228563484413 0.21310181010170 1.008 > 33 35 H 0.07046677865451 0.66228563484413 0.21310181010170 1.008 > 33 36 H 0.57046677865451 0.66228563484413 0.21310181010170 1.008 > 33 37 H 0.07046677865451 0.16228563484413 0.71310181010170 1.008 > 33 38 H 0.57046677865451 0.16228563484413 0.71310181010170 1.008 > 33 39 H 0.07046677865451 0.66228563484413 0.71310181010170 1.008 > 33 40 H 0.57046677865451 0.66228563484413 0.71310181010170 1.008 > 33 41 H 0.16228563484413 0.09181885618961 0.28689818989830 1.008 > 41 42 H 0.66228563484413 0.09181885618961 0.28689818989830 1.008 > 41 43 H 0.16228563484413 0.59181885618961 0.28689818989830 1.008 > 41 44 H 0.66228563484413 0.59181885618961 0.28689818989830 1.008 > 41 45 H 0.16228563484413 0.09181885618961 0.78689818989830 1.008 > 41 46 H 0.66228563484413 0.09181885618961 0.78689818989830 1.008 > 41 47 H 0.16228563484413 0.59181885618961 0.78689818989830 1.008 > 41 48 H 0.66228563484413 0.59181885618961 0.78689818989830 1.008 > 41 49 H 0.40818114381039 0.07046677865451 0.28689818989830 1.008 > 49 50 H 0.90818114381039 0.07046677865451 0.28689818989830 1.008 > 49 51 H 0.40818114381039 0.57046677865451 0.28689818989830 1.008 > 49 52 H 0.90818114381039 0.57046677865451 0.28689818989830 1.008 > 49 53 H 0.40818114381039 0.07046677865451 0.78689818989830 1.008 > 49 54 H 0.90818114381039 0.07046677865451 0.78689818989830 1.008 > 49 55 H 0.40818114381039 0.57046677865451 0.78689818989830 1.008 > 49 56 H 0.90818114381039 0.57046677865451 0.78689818989830 1.008 > 49 57 H 0.42953322134549 0.33771436515587 0.28689818989830 1.008 > 57 58 H 0.92953322134549 0.33771436515587 0.28689818989830 1.008 > 57 59 H 0.42953322134549 0.83771436515587 0.28689818989830 1.008 > 57 60 H 0.92953322134549 0.83771436515587 0.28689818989830 1.008 > 57 61 H 0.42953322134549 0.33771436515587 0.78689818989830 1.008 > 57 62 H 0.92953322134549 0.33771436515587 0.78689818989830 1.008 > 57 63 H 0.42953322134549 0.83771436515587 0.78689818989830 1.008 > 57 64 H 0.92953322134549 0.83771436515587 0.78689818989830 1.008 > 57 65 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 65 66 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 65 67 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 65 68 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 65 69 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 65 70 Pt 0.50000000000000 0.00000000000000 0.50000000000000 195.084 > 65 71 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 65 72 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 65 73 O 0.35269299704124 0.35998162048367 0.12800064511869 15.999 > 73 74 O 0.85269299704124 0.35998162048367 0.12800064511869 15.999 > 73 75 O 0.35269299704124 0.85998162048367 0.12800064511869 15.999 > 73 76 O 0.85269299704124 0.85998162048367 0.12800064511869 15.999 > 73 77 O 0.35269299704124 0.35998162048367 0.62800064511869 15.999 > 73 78 O 0.85269299704124 0.35998162048367 0.62800064511869 15.999 > 73 79 O 0.35269299704124 0.85998162048367 0.62800064511869 15.999 > 73 80 O 0.85269299704124 0.85998162048367 0.62800064511869 15.999 > 73 81 O 0.14001837951633 0.49271137655757 0.12800064511869 15.999 > 81 82 O 0.64001837951633 0.49271137655757 0.12800064511869 15.999 > 81 83 O 0.14001837951633 0.99271137655757 0.12800064511869 15.999 > 81 84 O 0.64001837951633 0.99271137655757 0.12800064511869 15.999 > 81 85 O 0.14001837951633 0.49271137655757 0.62800064511869 15.999 > 81 86 O 0.64001837951633 0.49271137655757 0.62800064511869 15.999 > 81 87 O 0.14001837951633 0.99271137655757 0.62800064511869 15.999 > 81 88 O 0.64001837951633 0.99271137655757 0.62800064511869 15.999 > 81 89 O 0.00728862344243 0.14730700295876 0.12800064511869 15.999 > 89 90 O 0.50728862344243 0.14730700295876 0.12800064511869 15.999 > 89 91 O 0.00728862344243 0.64730700295876 0.12800064511869 15.999 > 89 92 O 0.50728862344243 0.64730700295876 0.12800064511869 15.999 > 89 93 O 0.00728862344243 0.14730700295876 0.62800064511869 15.999 > 89 94 O 0.50728862344243 0.14730700295876 0.62800064511869 15.999 > 89 95 O 0.00728862344243 0.64730700295876 0.62800064511869 15.999 > 89 96 O 0.50728862344243 0.64730700295876 0.62800064511869 15.999 > 89 97 O 0.14730700295876 0.14001837951633 0.37199935488131 15.999 > 97 98 O 0.64730700295876 0.14001837951633 0.37199935488131 15.999 > 97 99 O 0.14730700295876 0.64001837951633 0.37199935488131 15.999 > 97 100 O 0.64730700295876 0.64001837951633 0.37199935488131 15.999 > 97 101 O 0.14730700295876 0.14001837951633 0.87199935488131 15.999 > 97 102 O 0.64730700295876 0.14001837951633 0.87199935488131 15.999 > 97 103 O 0.14730700295876 0.64001837951633 0.87199935488131 15.999 > 97 104 O 0.64730700295876 0.64001837951633 0.87199935488131 15.999 > 97 105 O 0.35998162048367 0.00728862344243 0.37199935488131 15.999 > 105 106 O 0.85998162048367 0.00728862344243 0.37199935488131 15.999 > 105 107 O 0.35998162048367 0.50728862344243 0.37199935488131 15.999 > 105 108 O 0.85998162048367 0.50728862344243 0.37199935488131 15.999 > 105 109 O 0.35998162048367 0.00728862344243 0.87199935488131 15.999 > 105 110 O 0.85998162048367 0.00728862344243 0.87199935488131 15.999 > 105 111 O 0.35998162048367 0.50728862344243 0.87199935488131 15.999 > 105 112 O 0.85998162048367 0.50728862344243 0.87199935488131 15.999 > 105 113 O 0.49271137655757 0.35269299704124 0.37199935488131 15.999 > 113 114 O 0.99271137655757 0.35269299704124 0.37199935488131 15.999 > 113 115 O 0.49271137655757 0.85269299704124 0.37199935488131 15.999 > 113 116 O 0.99271137655757 0.85269299704124 0.37199935488131 15.999 > 113 117 O 0.49271137655757 0.35269299704124 0.87199935488131 15.999 > 113 118 O 0.99271137655757 0.35269299704124 0.87199935488131 15.999 > 113 119 O 0.49271137655757 0.85269299704124 0.87199935488131 15.999 > 113 120 O 0.99271137655757 0.85269299704124 0.87199935488131 15.999 > 113 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9817878 -0.0000001 0.0000000 0.0000001 2.9817878 0.0000000 0.0000000 0.0000000 3.6961187 -------------------------- Born effective charges -------------------------- 1 Na 1.2338550 0.0116281 0.0000000 -0.0116281 1.2338550 0.0000000 0.0000000 0.0000000 0.8686280 2 Na 1.2338550 0.0116281 0.0000000 -0.0116281 1.2338550 0.0000000 0.0000000 0.0000000 0.8686280 3 H 0.3660988 -0.0646362 -0.0584590 -0.0437414 0.2695546 0.2073697 -0.1955161 0.5003023 1.0678521 4 H 0.2467618 -0.0251578 -0.1503579 -0.0042630 0.3888916 -0.1543118 -0.3355165 -0.4194730 1.0678521 5 H 0.3406196 0.0584518 0.2088169 0.0793466 0.2950339 -0.0530579 0.5310325 -0.0808293 1.0678521 6 H 0.3660988 -0.0646362 -0.0584590 -0.0437414 0.2695546 0.2073697 -0.1955161 0.5003023 1.0678521 7 H 0.2467618 -0.0251578 -0.1503579 -0.0042630 0.3888916 -0.1543118 -0.3355165 -0.4194730 1.0678521 8 H 0.3406196 0.0584518 0.2088169 0.0793466 0.2950339 -0.0530579 0.5310325 -0.0808293 1.0678521 9 Pt 1.7953261 -0.1699073 0.0000000 0.1699073 1.7953261 0.0000000 0.0000000 0.0000000 2.7394449 10 O -0.9753505 -0.2791701 0.1679615 -0.3489486 -1.0813150 0.2910191 0.2804470 0.3164580 -1.8139689 11 O -1.3268072 0.1460349 -0.3360107 0.0762564 -0.7298583 -0.0000506 -0.4142842 0.0846452 -1.8139689 12 O -0.7828405 0.2378029 0.1680492 0.1680244 -1.2738250 -0.2909685 0.1338372 -0.4011033 -1.8139689 13 O -0.9753505 -0.2791701 0.1679615 -0.3489486 -1.0813150 0.2910191 0.2804470 0.3164580 -1.8139689 14 O -1.3268072 0.1460349 -0.3360107 0.0762564 -0.7298583 -0.0000506 -0.4142842 0.0846452 -1.8139689 15 O -0.7828405 0.2378029 0.1680492 0.1680244 -1.2738250 -0.2909685 0.1338372 -0.4011033 -1.8139689 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000062 (zzz) 0.00000062 (zzz) 0.00000062 (zzz) Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) --------------------------- 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 10 11 ] 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: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/188) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 188 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 3.234 ( 0.000 0.000 0.000) 0.000 4.841 ( 0.000 0.000 0.000) 0.000 5.657 ( 0.000 0.000 0.000) 0.000 5.657 ( 0.000 0.000 0.000) 0.000 5.701 ( 0.000 0.000 0.000) 0.000 5.701 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 7.185 ( 0.000 0.000 0.000) 0.000 7.185 ( 0.000 0.000 0.000) 0.000 8.693 ( 0.000 0.000 0.000) 0.000 8.892 ( 0.000 0.000 0.000) 0.000 8.892 ( 0.000 0.000 0.000) 0.000 9.874 ( 0.000 0.000 0.000) 0.000 9.874 ( 0.000 0.000 0.000) 0.000 10.432 ( 0.000 0.000 0.000) 0.000 10.447 ( 0.000 0.000 0.000) 0.000 10.447 ( 0.000 0.000 0.000) 0.000 11.644 ( 0.000 0.000 0.000) 0.000 15.293 ( 0.000 0.000 0.000) 0.000 15.367 ( 0.000 0.000 0.000) 0.000 15.367 ( 0.000 0.000 0.000) 0.000 15.809 ( 0.000 0.000 0.000) 0.000 15.809 ( 0.000 0.000 0.000) 0.000 16.071 ( 0.000 0.000 0.000) 0.000 24.242 ( 0.000 0.000 0.000) 0.000 24.242 ( 0.000 0.000 0.000) 0.000 24.791 ( 0.000 0.000 0.000) 0.000 25.253 ( 0.000 0.000 0.000) 0.000 25.518 ( 0.000 0.000 0.000) 0.000 25.518 ( 0.000 0.000 0.000) 0.000 35.223 ( 0.000 0.000 0.000) 0.000 35.223 ( 0.000 0.000 0.000) 0.000 36.020 ( 0.000 0.000 0.000) 0.000 36.020 ( 0.000 0.000 0.000) 0.000 36.837 ( 0.000 0.000 0.000) 0.000 38.351 ( 0.000 0.000 0.000) 0.000 92.221 ( 0.000 0.000 0.000) 0.000 93.490 ( 0.000 0.000 0.000) 0.000 93.490 ( 0.000 0.000 0.000) 0.000 96.224 ( 0.000 0.000 0.000) 0.000 96.224 ( 0.000 0.000 0.000) 0.000 96.253 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/188) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 18.491 13.499 -0.525) 22.900 0.517 ( 23.755 10.883 2.426) 26.242 0.833 ( 35.283 20.592 -0.894) 40.862 3.252 ( 1.425 0.818 -0.068) 1.644 4.760 ( -6.792 -3.740 0.986) 7.816 5.435 ( -8.909 -7.529 -0.886) 11.698 5.672 ( -4.911 2.080 1.801) 5.629 5.707 ( -2.786 -2.574 0.274) 3.803 5.947 ( 11.465 4.717 -0.848) 12.427 6.624 ( -0.366 -0.126 -1.812) 1.853 7.152 ( -3.331 -0.838 1.489) 3.744 7.205 ( 2.176 0.233 -1.086) 2.443 8.674 ( -1.587 -1.071 0.996) 2.159 8.886 ( -0.559 0.034 2.568) 2.628 9.153 ( -1.427 -1.083 -3.551) 3.977 9.849 ( -2.006 -0.987 -0.663) 2.332 9.909 ( 2.809 1.535 1.804) 3.674 10.354 ( -2.205 -1.117 0.888) 2.627 10.511 ( 3.210 1.581 -2.707) 4.487 10.575 ( 6.085 3.609 0.541) 7.095 11.618 ( -2.309 -1.332 0.165) 2.671 15.297 ( 0.244 -0.289 -0.763) 0.852 15.382 ( 1.330 1.290 -1.157) 2.184 15.810 ( 0.170 -0.104 -0.311) 0.369 15.815 ( 0.398 0.351 1.446) 1.541 16.072 ( 0.135 0.078 0.004) 0.156 16.280 ( -0.854 -0.504 0.529) 1.124 24.053 ( -12.879 -7.208 -3.749) 15.228 24.220 ( -1.732 -1.296 0.385) 2.197 24.970 ( 11.879 6.938 6.524) 15.226 25.241 ( -0.813 -0.447 -0.006) 0.928 25.555 ( 2.888 1.652 -0.572) 3.376 26.271 ( 0.517 0.284 -1.784) 1.879 35.229 ( 0.518 0.286 -0.198) 0.624 35.469 ( 1.294 0.758 -0.258) 1.522 36.020 ( 0.013 0.004 0.674) 0.674 36.027 ( 0.605 0.353 -0.611) 0.930 36.806 ( -2.690 -1.553 0.009) 3.106 38.346 ( -0.438 -0.253 0.051) 0.508 92.224 ( 0.275 0.159 -0.002) 0.318 93.494 ( 0.305 0.180 -0.132) 0.378 93.781 ( -0.001 -0.002 0.433) 0.433 96.197 ( -1.792 -1.231 -1.280) 2.523 96.231 ( 0.460 0.477 0.423) 0.786 96.262 ( 0.375 0.198 0.541) 0.688 ======================= Grid point 2 (3/188) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 17.686 12.671 -0.558) 21.764 1.018 ( 22.308 10.363 2.957) 24.774 1.581 ( 29.710 17.380 -0.396) 34.422 3.286 ( 1.277 0.600 -0.445) 1.480 4.575 ( -8.698 -4.406 1.196) 9.823 5.225 ( -7.668 -6.921 -2.031) 10.527 5.560 ( -7.272 -2.788 1.806) 7.995 5.630 ( -4.148 -0.362 2.550) 4.883 6.162 ( 9.145 2.854 -0.457) 9.591 6.609 ( -1.523 -0.012 -3.349) 3.679 7.062 ( -5.543 -1.620 1.192) 5.897 7.262 ( 3.913 0.690 -1.471) 4.236 8.622 ( -2.474 -2.046 0.243) 3.220 8.879 ( -0.915 1.179 6.316) 6.490 9.111 ( -1.412 -2.206 -4.733) 5.410 9.800 ( -2.721 -0.340 -1.820) 3.291 9.980 ( 3.604 0.902 1.890) 4.168 10.354 ( 1.579 2.271 2.467) 3.706 10.596 ( 4.603 1.165 -5.330) 7.138 10.712 ( 5.548 3.630 0.606) 6.657 11.542 ( -4.254 -2.433 0.813) 4.968 15.289 ( -0.091 -1.328 -1.020) 1.677 15.442 ( 2.783 3.446 -2.211) 4.950 15.813 ( 0.354 -0.156 -0.406) 0.561 15.827 ( 0.611 0.211 2.266) 2.356 16.076 ( 0.165 0.098 0.020) 0.193 16.252 ( -1.514 -0.940 0.946) 2.018 23.757 ( -12.577 -7.011 -2.884) 14.685 24.162 ( -2.877 -2.038 0.578) 3.572 25.226 ( 4.212 -2.219 0.131) 4.763 25.241 ( 6.324 8.767 7.256) 13.019 25.629 ( 3.372 1.714 -0.969) 3.904 26.289 ( 1.077 0.540 -2.787) 3.037 35.245 ( 0.800 0.422 -0.446) 1.008 35.516 ( 2.920 1.708 -0.239) 3.391 36.020 ( -0.030 -0.091 1.051) 1.055 36.046 ( 0.908 0.612 -1.072) 1.532 36.718 ( -4.871 -2.815 0.073) 5.626 38.332 ( -0.762 -0.439 0.084) 0.883 92.233 ( 0.469 0.270 -0.010) 0.541 93.503 ( 0.495 0.311 -0.213) 0.622 93.781 ( -0.021 -0.020 0.703) 0.704 96.149 ( -2.082 -1.523 -1.133) 2.818 96.246 ( 0.678 0.433 2.719) 2.835 96.265 ( -0.155 0.174 -2.092) 2.105 ======================= Grid point 3 (4/188) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 15.366 10.749 -0.537) 18.760 1.467 ( 18.668 8.796 3.154) 20.876 2.161 ( 20.562 12.202 0.349) 23.913 3.285 ( -1.433 -1.538 -0.962) 2.312 4.425 ( -4.306 -1.468 0.237) 4.556 5.028 ( -8.629 -5.209 -2.004) 10.276 5.394 ( -7.007 -4.988 1.073) 8.667 5.571 ( -1.845 -0.081 4.791) 5.135 6.312 ( 6.287 0.862 0.151) 6.348 6.566 ( -4.033 0.670 -3.943) 5.680 6.940 ( -5.971 -2.521 -0.190) 6.484 7.349 ( 4.900 1.157 -1.349) 5.213 8.561 ( -2.072 -1.919 -0.679) 2.905 8.875 ( -1.463 1.700 8.533) 8.822 9.068 ( -0.576 -2.593 -4.442) 5.175 9.757 ( -2.229 0.418 -2.439) 3.330 10.045 ( 3.385 0.190 1.390) 3.665 10.441 ( 3.716 5.252 4.309) 7.744 10.676 ( 4.326 -0.960 -8.199) 9.320 10.827 ( 3.854 3.124 0.378) 4.975 11.433 ( -5.113 -2.836 2.007) 6.182 15.273 ( -0.149 -1.328 -0.895) 1.608 15.533 ( 3.049 4.220 -2.773) 5.899 15.819 ( 0.483 -0.128 -0.254) 0.560 15.837 ( 0.565 -0.373 2.394) 2.488 16.079 ( 0.115 0.084 0.021) 0.144 16.213 ( -1.744 -1.142 1.100) 2.357 23.507 ( -9.301 -5.191 -1.642) 10.777 24.091 ( -2.945 -1.965 0.533) 3.580 25.236 ( 1.057 -0.281 -0.214) 1.114 25.446 ( 6.394 5.804 6.507) 10.813 25.693 ( 2.652 0.584 -1.243) 2.987 26.316 ( 1.367 0.646 -2.577) 2.988 35.263 ( 0.783 0.451 -0.560) 1.063 35.601 ( 4.384 2.469 0.027) 5.032 36.017 ( -0.103 -0.278 0.912) 0.959 36.067 ( 0.710 0.705 -1.259) 1.608 36.593 ( -5.866 -3.409 0.232) 6.789 38.313 ( -0.827 -0.475 0.087) 0.958 92.244 ( 0.499 0.287 -0.019) 0.576 93.515 ( 0.497 0.338 -0.212) 0.637 93.780 ( -0.045 -0.044 0.707) 0.710 96.100 ( -1.784 -1.372 -0.774) 2.380 96.248 ( -0.252 -0.589 3.610) 3.666 96.274 ( 0.465 1.021 -3.338) 3.521 ======================= Grid point 4 (5/188) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 9.854 6.734 -0.344) 11.940 1.801 ( 11.352 5.445 2.197) 12.780 2.510 ( 9.730 6.094 0.826) 11.511 3.213 ( -3.351 -3.053 -0.970) 4.636 4.414 ( 2.156 2.075 -1.167) 3.212 4.827 ( -9.089 -4.039 -0.389) 9.953 5.248 ( -4.216 -3.951 0.396) 5.792 5.574 ( 1.413 0.757 4.139) 4.439 6.397 ( 4.733 -2.496 0.375) 5.364 6.491 ( -6.244 2.900 -3.128) 7.562 6.828 ( -3.721 -2.277 -0.696) 4.417 7.437 ( 3.644 0.973 -0.846) 3.866 8.519 ( -1.118 -1.052 -0.696) 1.686 8.860 ( -1.517 0.750 5.803) 6.045 9.046 ( 0.244 -1.349 -2.417) 2.779 9.732 ( -1.211 0.388 -1.675) 2.103 10.097 ( 2.304 0.279 0.834) 2.466 10.563 ( 3.284 6.373 6.645) 9.775 10.713 ( 2.519 -3.885 -10.460) 11.439 10.900 ( 1.621 2.021 0.188) 2.597 11.329 ( -3.754 -1.974 2.480) 4.914 15.261 ( -0.077 -0.738 -0.520) 0.907 15.616 ( 2.038 3.179 -2.294) 4.418 15.826 ( 0.364 -0.047 0.007) 0.367 15.838 ( 0.300 -0.786 1.766) 1.956 16.082 ( 0.077 0.086 -0.010) 0.116 16.176 ( -1.261 -0.865 0.798) 1.725 23.345 ( -4.892 -2.741 -0.688) 5.649 24.032 ( -1.850 -1.180 0.312) 2.216 25.253 ( 0.910 -0.042 -0.103) 0.917 25.570 ( 2.627 3.763 3.907) 6.027 25.729 ( 1.593 -0.581 -1.121) 2.032 26.343 ( 0.974 0.451 -1.445) 1.800 35.278 ( 0.488 0.322 -0.385) 0.700 35.702 ( 4.141 2.248 0.291) 4.721 36.011 ( -0.188 -0.409 0.309) 0.546 36.081 ( 0.115 0.524 -0.980) 1.118 36.468 ( -4.524 -2.673 0.359) 5.267 38.297 ( -0.544 -0.312 0.055) 0.630 92.254 ( 0.324 0.186 -0.017) 0.374 93.525 ( 0.308 0.224 -0.130) 0.402 93.779 ( -0.039 -0.040 0.439) 0.442 96.065 ( -1.023 -0.813 -0.380) 1.360 96.237 ( -0.329 -0.407 1.446) 1.537 96.290 ( 0.374 0.627 -1.374) 1.556 ======================= Grid point 5 (6/188) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-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| 1.726 ( 0.000 0.000 0.000) 0.000 1.930 ( 0.000 0.000 0.000) 0.000 2.621 ( 0.000 0.000 0.000) 0.000 3.159 ( 0.000 0.000 -0.000) 0.000 4.476 ( 0.000 0.000 -0.000) 0.000 4.697 ( -0.000 -0.000 -0.000) 0.000 5.191 ( 0.000 0.000 -0.000) 0.000 5.599 ( 0.000 0.000 0.000) 0.000 6.431 ( 0.000 -0.000 0.000) 0.000 6.438 ( -0.000 0.000 -0.000) 0.000 6.783 ( 0.000 0.000 0.000) 0.000 7.475 ( 0.000 0.000 -0.000) 0.000 8.504 ( 0.000 0.000 0.000) 0.000 8.849 ( 0.000 0.000 0.000) 0.000 9.043 ( 0.000 0.000 0.000) 0.000 9.723 ( 0.000 0.000 -0.000) 0.000 10.120 ( 0.000 0.000 -0.000) 0.000 10.647 ( 0.000 0.000 0.000) 0.000 10.695 ( 0.000 -0.000 -0.000) 0.000 10.923 ( 0.000 0.000 0.000) 0.000 11.284 ( 0.000 0.000 -0.000) 0.000 15.256 ( 0.000 0.000 -0.000) 0.000 15.652 ( 0.000 0.000 0.000) 0.000 15.829 ( 0.000 0.000 0.000) 0.000 15.836 ( 0.000 0.000 0.000) 0.000 16.083 ( 0.000 0.000 0.000) 0.000 16.159 ( 0.000 0.000 -0.000) 0.000 23.290 ( 0.000 0.000 -0.000) 0.000 24.010 ( 0.000 0.000 -0.000) 0.000 25.261 ( 0.000 0.000 0.000) 0.000 25.611 ( 0.000 -0.000 -0.000) 0.000 25.739 ( -0.000 0.000 0.000) 0.000 26.354 ( 0.000 0.000 -0.000) 0.000 35.284 ( 0.000 0.000 -0.000) 0.000 35.756 ( 0.000 0.000 -0.000) 0.000 36.006 ( 0.000 0.000 0.000) 0.000 36.083 ( 0.000 0.000 0.000) 0.000 36.412 ( 0.000 0.000 0.000) 0.000 38.290 ( 0.000 0.000 -0.000) 0.000 92.258 ( 0.000 0.000 -0.000) 0.000 93.529 ( 0.000 0.000 -0.000) 0.000 93.778 ( 0.000 0.000 0.000) 0.000 96.052 ( 0.000 0.000 0.000) 0.000 96.232 ( 0.000 0.000 -0.000) 0.000 96.297 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/188) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 14.852 18.021 5.920) 24.091 0.866 ( 8.964 23.310 2.413) 25.091 1.391 ( 18.277 31.270 -3.415) 36.380 3.280 ( 1.050 1.941 1.340) 2.582 4.629 ( -4.726 -9.067 3.551) 10.824 5.285 ( -7.040 -7.004 -0.874) 9.969 5.599 ( -0.104 -7.067 -3.855) 8.051 5.631 ( -2.851 -5.259 -1.433) 6.152 6.106 ( 3.053 9.167 2.476) 9.974 6.637 ( 0.911 0.796 1.313) 1.785 7.137 ( 2.004 -4.513 -3.542) 6.077 7.189 ( -3.202 2.252 3.083) 4.983 8.640 ( -1.773 -2.188 -3.771) 4.707 8.883 ( 0.942 -0.706 -2.269) 2.556 9.116 ( -2.194 -1.964 12.780) 13.114 9.840 ( 0.115 -1.996 -8.429) 8.663 9.944 ( 1.037 3.841 -0.176) 3.983 10.334 ( 0.615 -0.451 -0.975) 1.238 10.577 ( 1.793 4.924 1.283) 5.395 10.675 ( 3.639 5.714 1.135) 6.868 11.566 ( -2.196 -3.823 0.194) 4.413 15.308 ( -0.844 1.217 3.475) 3.778 15.405 ( 2.572 1.099 1.121) 3.013 15.817 ( -0.073 0.658 -0.377) 0.762 15.821 ( 0.358 0.435 -0.305) 0.640 16.075 ( 0.091 0.156 -0.074) 0.195 16.261 ( -0.866 -1.418 -3.959) 4.294 23.815 ( -7.785 -13.866 -0.502) 15.910 24.221 ( -0.547 -0.333 -0.745) 0.982 25.106 ( 2.964 5.225 -2.878) 6.661 25.249 ( 1.584 2.105 0.795) 2.752 25.635 ( 3.264 5.833 2.299) 7.068 26.280 ( 0.327 0.672 0.859) 1.139 35.244 ( 0.620 1.138 -0.981) 1.625 35.496 ( 1.228 2.080 0.598) 2.488 36.021 ( 0.007 0.100 -0.198) 0.221 36.039 ( 0.511 0.783 0.285) 0.978 36.746 ( -2.530 -4.379 -0.032) 5.057 38.336 ( -0.403 -0.699 0.222) 0.836 92.230 ( 0.248 0.430 -0.066) 0.501 93.502 ( 0.365 0.601 -0.864) 1.114 93.779 ( -0.107 -0.175 -0.655) 0.686 96.168 ( -1.342 -1.730 5.250) 5.688 96.234 ( 0.377 0.245 1.551) 1.615 96.267 ( 0.126 0.054 -5.222) 5.224 ======================= Grid point 13 (8/188) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 12.061 17.667 3.975) 21.758 1.275 ( 15.483 16.177 4.118) 22.768 1.970 ( 18.451 19.764 -1.037) 27.058 3.310 ( -0.465 1.933 2.779) 3.417 4.455 ( -4.589 -7.655 4.165) 9.849 5.106 ( -6.885 -5.532 -1.370) 8.938 5.464 ( -6.549 -5.380 -1.247) 8.567 5.560 ( 0.240 -5.594 -0.990) 5.686 6.223 ( 3.588 2.578 1.721) 4.741 6.653 ( -1.540 3.043 -0.850) 3.515 7.056 ( -7.531 0.446 -1.971) 7.798 7.224 ( 6.539 -3.252 0.016) 7.303 8.583 ( -2.337 -1.632 -4.087) 4.983 8.901 ( 1.096 0.358 2.995) 3.209 9.052 ( -2.232 -2.727 8.892) 9.564 9.815 ( -1.852 0.627 -10.319) 10.503 10.007 ( 1.934 3.011 -1.066) 3.734 10.382 ( 4.994 0.040 -0.113) 4.995 10.652 ( 1.081 4.762 -0.523) 4.911 10.793 ( 4.147 4.152 2.401) 6.340 11.473 ( -3.737 -4.517 1.301) 6.005 15.294 ( -1.977 1.640 3.036) 3.977 15.487 ( 5.159 0.997 0.855) 5.324 15.822 ( -0.153 0.673 1.315) 1.485 15.830 ( 0.114 0.608 -1.079) 1.244 16.078 ( 0.101 0.029 -0.166) 0.197 16.224 ( -1.411 -1.824 -3.821) 4.462 23.559 ( -7.124 -11.305 -1.557) 13.453 24.191 ( -4.614 3.643 -1.232) 6.006 25.164 ( 4.191 -3.500 -1.827) 5.758 25.331 ( 4.649 0.855 0.127) 4.729 25.754 ( 1.335 9.413 4.745) 10.626 26.296 ( 1.058 0.282 -0.503) 1.205 35.270 ( 0.449 2.133 -1.175) 2.476 35.554 ( 3.128 2.046 0.482) 3.769 36.021 ( -0.262 0.214 0.498) 0.602 36.059 ( 0.899 0.630 -0.486) 1.201 36.639 ( -4.343 -5.078 -0.027) 6.682 38.320 ( -0.638 -0.764 0.492) 1.111 92.240 ( 0.387 0.453 -0.184) 0.623 93.517 ( 0.383 1.017 -1.051) 1.512 93.774 ( 0.012 -0.654 -0.346) 0.740 96.125 ( -2.011 -0.861 3.401) 4.044 96.241 ( 0.343 -0.471 3.181) 3.234 96.270 ( 0.394 -0.062 -4.983) 4.999 ======================= Grid point 14 (9/188) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 8.430 14.866 2.974) 17.347 1.665 ( 13.377 11.039 3.836) 17.763 2.376 ( 12.562 8.018 1.490) 14.977 3.288 ( -4.529 2.574 3.971) 6.550 4.363 ( 1.634 -4.765 3.263) 6.002 4.919 ( -8.030 -7.385 0.889) 10.946 5.315 ( -6.144 -1.227 -2.407) 6.712 5.543 ( 2.247 -1.539 0.818) 2.843 6.271 ( 3.033 -4.466 0.502) 5.422 6.643 ( -3.949 4.775 -1.651) 6.413 6.927 ( -8.114 1.677 -1.641) 8.446 7.316 ( 7.857 -3.987 -1.630) 8.960 8.538 ( -1.699 -0.271 -3.715) 4.095 8.909 ( -1.792 1.326 8.851) 9.127 9.006 ( 0.818 -3.103 1.912) 3.735 9.792 ( -2.789 2.641 -10.289) 10.983 10.067 ( 2.053 2.107 -1.817) 3.458 10.484 ( 7.095 -1.768 -1.935) 7.564 10.703 ( -0.317 4.503 0.731) 4.573 10.889 ( 2.756 2.927 2.678) 4.830 11.361 ( -3.725 -4.387 2.677) 6.348 15.280 ( -1.563 1.864 2.917) 3.799 15.582 ( 4.477 0.741 1.043) 4.657 15.819 ( 0.035 -1.046 3.255) 3.419 15.843 ( -0.289 2.260 -3.212) 3.938 16.079 ( 0.131 -0.189 -0.278) 0.361 16.181 ( -1.223 -2.056 -3.009) 3.844 23.363 ( -4.240 -8.248 -1.371) 9.375 24.147 ( -6.326 6.881 -1.605) 9.484 25.204 ( 4.373 -3.147 -1.506) 5.594 25.393 ( 5.834 -6.857 -2.441) 9.328 25.852 ( -1.821 11.004 6.301) 12.811 26.320 ( 1.559 -0.317 -0.490) 1.664 35.297 ( -0.349 3.050 -0.835) 3.181 35.638 ( 4.637 1.176 0.489) 4.809 36.017 ( -0.478 0.307 0.507) 0.761 36.079 ( 0.703 0.451 -0.827) 1.175 36.510 ( -4.560 -4.783 0.005) 6.609 38.302 ( -0.568 -0.647 0.698) 1.109 92.251 ( 0.345 0.360 -0.302) 0.583 93.533 ( 0.019 1.410 -0.917) 1.682 93.768 ( 0.331 -1.221 -0.279) 1.296 96.087 ( -1.813 0.142 2.246) 2.890 96.236 ( -0.129 -0.589 1.787) 1.886 96.279 ( 0.832 -0.549 -2.474) 2.667 ======================= Grid point 15 (10/188) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 1.063 9.285 3.239) 9.891 1.913 ( 5.117 5.632 1.809) 7.821 2.556 ( 5.591 -1.891 2.097) 6.264 3.237 ( -5.005 5.850 5.446) 9.430 4.407 ( 6.056 -2.363 2.607) 7.004 4.704 ( -5.749 -8.981 3.536) 11.235 5.245 ( -3.635 3.944 -3.338) 6.318 5.589 ( 2.014 1.200 -0.496) 2.396 6.254 ( 3.974 -9.248 0.012) 10.065 6.618 ( -5.459 6.740 -1.380) 8.782 6.837 ( -4.689 3.158 -0.728) 5.700 7.395 ( 6.010 -4.957 -2.149) 8.081 8.519 ( -1.003 1.022 -3.058) 3.376 8.876 ( -2.407 0.830 6.736) 7.201 9.013 ( 2.167 -1.890 1.438) 3.215 9.772 ( -3.076 3.577 -9.433) 10.547 10.113 ( 1.317 1.051 -2.143) 2.726 10.551 ( 4.451 -6.351 -7.547) 10.821 10.747 ( -0.278 6.278 7.635) 9.889 10.937 ( -0.015 1.579 2.620) 3.059 11.278 ( -1.137 -3.208 2.312) 4.114 15.278 ( -1.117 2.299 3.266) 4.147 15.636 ( 1.397 -0.807 2.326) 2.831 15.811 ( 0.940 -1.793 2.440) 3.171 15.861 ( -0.890 3.177 -3.752) 4.997 16.079 ( 0.198 -0.415 -0.354) 0.580 16.150 ( 0.006 -1.743 -2.679) 3.196 23.259 ( -0.134 -5.228 -1.006) 5.325 24.118 ( -6.162 9.102 -1.902) 11.155 25.245 ( 2.500 -0.854 -0.872) 2.782 25.399 ( 6.768 -13.181 -5.093) 15.668 25.906 ( -4.425 10.663 6.159) 13.085 26.338 ( 1.223 -0.947 0.511) 1.629 35.314 ( -1.409 3.305 -0.313) 3.606 35.716 ( 3.604 -0.986 0.470) 3.766 36.013 ( -0.402 0.731 0.208) 0.859 36.087 ( -0.173 0.085 -0.578) 0.610 36.412 ( -1.721 -2.828 -0.145) 3.314 38.290 ( -0.166 -0.366 0.789) 0.885 92.258 ( 0.115 0.180 -0.365) 0.422 93.543 ( -0.579 1.526 -0.693) 1.773 93.763 ( 0.744 -1.549 -0.521) 1.796 96.068 ( -1.155 1.150 1.867) 2.478 96.231 ( 0.039 -0.275 0.359) 0.454 96.284 ( 0.708 -1.258 -0.547) 1.544 ======================= Grid point 16 (11/188) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -9.434 2.295 3.779) 10.418 1.929 ( -6.524 -0.073 -0.429) 6.539 2.549 ( -1.573 -6.192 1.465) 6.554 3.255 ( -1.589 8.398 6.189) 10.553 4.396 ( -1.682 -7.546 4.870) 9.137 4.688 ( 9.559 -0.018 2.245) 9.819 5.263 ( -0.242 6.202 -2.831) 6.822 5.591 ( -2.002 -1.189 -4.946) 5.467 6.263 ( 7.346 -8.311 1.869) 11.248 6.596 ( -5.551 8.160 -0.137) 9.870 6.833 ( -0.264 4.242 -0.354) 4.265 7.412 ( 2.260 -6.172 -1.424) 6.725 8.523 ( -0.050 1.669 -2.399) 2.923 8.856 ( -0.911 0.721 1.314) 1.754 9.032 ( 1.834 -1.162 4.104) 4.643 9.759 ( -2.465 3.423 -8.094) 9.128 10.127 ( -0.670 0.664 -3.168) 3.305 10.512 ( 0.073 -7.967 -7.471) 10.922 10.801 ( -1.314 5.398 11.839) 13.078 10.918 ( -2.342 -0.632 2.390) 3.406 11.274 ( 3.182 -0.836 -0.511) 3.329 15.287 ( -0.831 2.892 3.795) 4.843 15.610 ( -1.632 -3.356 3.718) 5.268 15.817 ( 1.288 -1.162 1.465) 2.271 15.870 ( -1.561 2.733 -3.781) 4.919 16.078 ( 0.233 -0.472 -0.252) 0.584 16.152 ( 1.616 -0.737 -3.490) 3.916 23.258 ( 4.532 -2.538 -0.591) 5.228 24.119 ( -4.715 9.961 -1.992) 11.199 25.259 ( -0.363 -0.717 -0.419) 0.907 25.379 ( 7.294 -14.488 -6.996) 17.665 25.910 ( -6.581 9.155 5.296) 12.456 26.340 ( 0.303 -1.425 1.794) 2.311 35.313 ( -2.192 2.802 0.037) 3.558 35.719 ( -0.827 -3.449 0.080) 3.548 36.019 ( -0.184 1.164 -0.005) 1.179 36.079 ( -0.362 -0.429 0.441) 0.714 36.414 ( 3.355 0.157 -0.579) 3.408 38.290 ( 0.398 -0.040 0.744) 0.844 92.258 ( -0.212 -0.009 -0.349) 0.409 93.542 ( -1.070 1.217 -0.559) 1.714 93.763 ( 0.984 -1.395 -0.906) 1.932 96.071 ( -0.231 1.793 2.216) 2.860 96.234 ( 0.403 0.181 -1.170) 1.250 96.278 ( 0.387 -1.790 0.880) 2.032 ======================= Grid point 17 (12/188) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -17.059 -1.601 4.210) 17.644 1.706 ( -16.306 -4.250 -0.972) 16.879 2.366 ( -12.931 -6.902 0.613) 14.670 3.311 ( -0.829 5.352 5.531) 7.741 4.340 ( 3.661 -4.126 4.168) 6.914 4.901 ( 11.555 3.508 2.332) 12.299 5.352 ( 3.467 5.665 -2.125) 6.973 5.533 ( -0.535 -3.933 -7.588) 8.564 6.299 ( 3.582 -5.879 2.464) 7.311 6.601 ( -2.885 7.825 1.836) 8.539 6.904 ( 2.840 5.203 -1.063) 6.022 7.356 ( -0.821 -6.966 0.117) 7.015 8.550 ( 1.249 1.526 -2.622) 3.281 8.855 ( -0.047 0.573 -3.227) 3.278 9.055 ( 2.000 -0.747 8.448) 8.714 9.760 ( -0.988 2.989 -7.125) 7.790 10.104 ( -2.886 0.594 -4.333) 5.240 10.422 ( -1.633 -6.535 -4.232) 7.955 10.782 ( -5.208 2.099 10.444) 11.857 10.861 ( -2.882 -1.636 1.841) 3.791 11.358 ( 5.820 1.025 -1.290) 6.049 15.305 ( -0.729 3.302 4.316) 5.483 15.531 ( -2.654 -4.486 3.756) 6.425 15.824 ( 0.399 -0.404 1.351) 1.465 15.861 ( -1.663 1.185 -3.380) 3.949 16.078 ( 0.161 -0.223 -0.213) 0.348 16.184 ( 2.337 0.056 -4.617) 5.175 23.361 ( 9.204 -0.464 -0.054) 9.216 24.150 ( -2.707 8.985 -1.765) 9.549 25.223 ( 0.155 -5.265 -2.088) 5.666 25.360 ( 3.204 -8.277 -6.221) 10.839 25.860 ( -8.424 6.665 4.550) 11.665 26.323 ( -0.524 -1.455 2.785) 3.185 35.296 ( -2.394 1.816 -0.051) 3.005 35.641 ( -3.480 -3.419 0.138) 4.880 36.024 ( -0.327 0.727 -0.728) 1.079 36.069 ( -0.307 -0.533 1.285) 1.424 36.511 ( 6.358 1.552 -0.511) 6.564 38.302 ( 0.845 0.168 0.591) 1.045 92.251 ( -0.485 -0.119 -0.272) 0.568 93.531 ( -1.214 0.672 -0.613) 1.517 93.768 ( 0.881 -0.887 -1.185) 1.723 96.094 ( 0.785 1.795 3.261) 3.804 96.246 ( 0.549 0.456 -3.400) 3.474 96.264 ( 0.078 -1.781 2.303) 2.912 ======================= Grid point 18 (13/188) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -21.153 -1.033 4.928) 21.744 1.321 ( -21.990 -5.974 0.354) 22.790 1.966 ( -26.210 -5.873 -1.095) 26.882 3.316 ( -1.980 0.934 3.666) 4.270 4.443 ( 9.315 0.876 3.282) 9.915 5.121 ( 10.036 2.737 1.757) 10.550 5.477 ( 5.071 3.438 -4.145) 7.397 5.529 ( 5.119 -3.013 -4.585) 7.504 6.250 ( -3.732 -3.626 2.258) 5.672 6.634 ( -1.225 4.579 2.804) 5.507 7.020 ( 3.932 5.988 -2.494) 7.585 7.264 ( -1.364 -6.979 1.625) 7.294 8.593 ( 2.463 0.638 -3.883) 4.642 8.865 ( 0.230 1.204 -4.299) 4.470 9.084 ( 2.411 -1.174 13.022) 13.295 9.789 ( 0.896 3.121 -7.376) 8.059 10.037 ( -4.416 -1.402 -3.764) 5.970 10.350 ( -1.318 -2.245 -2.275) 3.457 10.686 ( -6.061 -0.825 5.814) 8.439 10.782 ( -5.057 -0.894 1.845) 5.457 11.472 ( 5.865 1.048 -0.392) 5.970 15.321 ( -0.843 1.978 4.708) 5.176 15.447 ( -2.555 -2.571 2.665) 4.499 15.824 ( -0.270 0.107 1.538) 1.565 15.840 ( -1.256 -0.195 -3.097) 3.347 16.077 ( -0.057 -0.063 -0.178) 0.197 16.226 ( 2.223 0.215 -5.035) 5.508 23.556 ( 13.314 0.666 0.377) 13.336 24.195 ( -0.802 5.601 -1.267) 5.798 25.173 ( 0.795 -6.436 -4.281) 7.770 25.314 ( -2.773 -1.931 -3.266) 4.700 25.758 ( -8.896 3.143 3.958) 10.232 26.298 ( -0.837 -0.880 2.704) 2.965 35.270 ( -2.035 0.668 -0.562) 2.214 35.554 ( -3.413 -1.717 0.556) 3.860 36.024 ( -0.234 0.198 -0.893) 0.944 36.056 ( -0.761 -0.282 1.126) 1.388 36.639 ( 6.552 1.210 -0.207) 6.666 38.320 ( 0.982 0.172 0.395) 1.072 92.240 ( -0.586 -0.109 -0.166) 0.619 93.516 ( -1.047 0.212 -0.790) 1.329 93.774 ( 0.550 -0.349 -1.164) 1.334 96.130 ( 1.675 1.067 4.743) 5.142 96.245 ( -0.221 -1.098 0.248) 1.147 96.262 ( 0.376 0.413 -2.824) 2.879 ======================= Grid point 23 (14/188) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 12.100 15.265 5.961) 20.370 1.631 ( 6.826 17.798 1.690) 19.137 2.294 ( 7.433 12.092 1.098) 14.237 3.363 ( 0.682 3.208 6.509) 7.288 4.304 ( -2.530 -6.516 5.238) 8.734 4.946 ( -5.726 -11.145 2.405) 12.758 5.421 ( -5.470 0.562 -5.773) 7.973 5.466 ( 3.405 -2.262 -2.515) 4.800 6.230 ( -2.267 -2.295 2.132) 3.867 6.696 ( 1.822 1.553 0.615) 2.472 7.029 ( 2.621 -3.942 -4.171) 6.309 7.205 ( -3.911 2.039 1.065) 4.538 8.560 ( -1.034 -0.689 -4.852) 5.008 8.891 ( 2.711 -0.901 -0.098) 2.858 9.018 ( -3.557 -1.063 11.774) 12.345 9.819 ( 2.162 0.328 -11.559) 11.764 10.089 ( -0.304 4.121 -7.612) 8.662 10.370 ( 2.681 -0.440 -0.032) 2.717 10.766 ( 0.062 6.210 4.420) 7.623 10.864 ( 3.263 2.779 4.840) 6.465 11.370 ( -3.126 -5.732 0.951) 6.598 15.334 ( -1.156 1.676 6.269) 6.591 15.502 ( 4.104 1.401 2.095) 4.816 15.816 ( -0.796 -0.830 2.789) 3.016 15.868 ( 0.670 2.466 -3.786) 4.568 16.076 ( -0.080 -0.228 -0.335) 0.412 16.182 ( -1.538 -2.392 -5.741) 6.407 23.354 ( -5.087 -8.986 -1.046) 10.379 24.269 ( 2.019 3.846 -2.413) 4.969 25.108 ( -1.624 -1.934 -4.319) 5.004 25.317 ( -0.010 -1.787 -1.919) 2.622 25.931 ( 4.262 7.721 5.276) 10.277 26.301 ( -0.029 0.247 1.763) 1.780 35.323 ( 1.773 2.986 -0.827) 3.569 35.598 ( 1.265 2.427 0.589) 2.800 36.029 ( -0.147 0.556 -0.061) 0.579 36.068 ( 0.741 0.261 0.239) 0.821 36.526 ( -3.539 -6.056 -0.339) 7.022 38.303 ( -0.478 -0.832 0.900) 1.315 92.250 ( 0.272 0.472 -0.395) 0.673 93.541 ( 0.881 1.416 -1.173) 2.039 93.756 ( -0.675 -1.121 -1.034) 1.668 96.113 ( -0.605 -0.333 4.674) 4.725 96.235 ( -0.602 -0.090 1.142) 1.294 96.260 ( 0.392 -0.928 -3.110) 3.269 ======================= Grid point 24 (15/188) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 5.767 13.867 5.137) 15.873 1.880 ( 5.814 10.170 2.526) 11.984 2.442 ( 4.183 -1.345 3.285) 5.486 3.393 ( -3.251 7.478 8.455) 11.746 4.267 ( 4.702 -3.910 5.404) 8.161 4.709 ( -7.420 -13.079 4.663) 15.744 5.365 ( -4.213 4.595 -6.711) 9.160 5.548 ( 5.022 2.904 -1.022) 5.891 6.137 ( -1.466 -9.015 0.668) 9.157 6.732 ( -0.982 4.813 -0.821) 4.981 6.987 ( -6.597 3.085 -2.448) 7.683 7.213 ( 6.351 -5.851 -1.796) 8.820 8.547 ( -0.758 0.982 -4.917) 5.071 8.920 ( 0.023 -0.149 5.606) 5.608 8.961 ( -0.438 -1.371 5.843) 6.017 9.858 ( -0.631 4.170 -13.787) 14.417 10.108 ( -0.140 1.214 -8.729) 8.814 10.415 ( 4.235 -3.860 -0.942) 5.807 10.819 ( -0.701 6.391 6.422) 9.087 10.936 ( 2.228 1.714 5.318) 6.015 11.264 ( -2.388 -5.286 2.250) 6.222 15.330 ( -1.524 2.555 6.553) 7.197 15.587 ( 3.894 0.671 2.571) 4.714 15.783 ( -0.792 -2.482 3.139) 4.079 15.907 ( 0.111 3.850 -4.607) 6.005 16.071 ( 0.046 -0.519 -0.557) 0.763 16.133 ( -0.962 -2.862 -4.996) 5.837 23.217 ( -2.041 -6.063 -1.488) 6.569 24.330 ( -3.769 11.059 -3.383) 12.163 25.084 ( 5.224 -9.317 -4.816) 11.717 25.286 ( -0.484 -3.181 -1.368) 3.496 26.044 ( -0.206 8.143 5.605) 9.888 26.303 ( 0.909 -1.355 1.551) 2.252 35.378 ( -0.232 4.940 -0.458) 4.967 35.641 ( 2.812 -1.054 0.616) 3.066 36.031 ( -0.437 1.156 0.274) 1.265 36.083 ( 0.696 -0.072 -0.406) 0.808 36.415 ( -2.804 -4.601 -0.450) 5.407 38.289 ( -0.301 -0.573 1.258) 1.415 92.258 ( 0.177 0.296 -0.581) 0.675 93.569 ( 0.115 2.269 -1.174) 2.557 93.733 ( 0.052 -2.214 -0.955) 2.412 96.105 ( -1.073 1.547 3.586) 4.050 96.225 ( -0.047 -0.671 1.655) 1.787 96.256 ( 0.567 -1.591 -2.364) 2.905 ======================= Grid point 25 (16/188) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -6.319 7.716 5.045) 11.177 2.016 ( -0.998 5.227 1.618) 5.562 2.454 ( 3.866 -7.391 3.998) 9.250 3.410 ( -4.680 9.861 9.344) 14.368 4.331 ( 1.972 -5.347 6.095) 8.344 4.522 ( 4.102 -7.420 5.180) 9.935 5.360 ( -2.716 6.008 -6.277) 9.104 5.628 ( -1.615 2.855 -2.508) 4.129 6.059 ( 5.579 -9.704 0.828) 11.224 6.756 ( -3.691 7.043 -1.121) 8.030 6.916 ( -4.445 4.158 -1.392) 6.244 7.260 ( 6.321 -8.216 -2.680) 10.707 8.548 ( -0.721 1.553 -4.697) 4.999 8.893 ( -2.034 0.886 5.894) 6.298 8.976 ( 2.491 -1.803 4.433) 5.395 9.866 ( -4.124 5.665 -14.326) 15.948 10.121 ( 1.560 -0.779 -9.147) 9.312 10.421 ( 1.950 -5.611 -1.572) 6.144 10.869 ( -0.734 5.649 9.396) 10.988 10.955 ( -1.591 0.127 5.271) 5.507 11.209 ( 1.760 -3.381 1.369) 4.050 15.334 ( -1.028 2.768 7.004) 7.601 15.617 ( -1.325 -0.399 3.162) 3.451 15.764 ( 2.249 -2.737 2.629) 4.411 15.934 ( -1.864 3.782 -4.899) 6.464 16.068 ( 0.177 -0.592 -0.634) 0.885 16.108 ( 1.570 -2.437 -4.741) 5.557 23.169 ( 1.921 -3.369 -1.503) 4.159 24.353 ( -7.878 13.733 -3.617) 16.241 25.090 ( 8.918 -14.874 -6.111) 18.388 25.256 ( -0.136 -0.671 -0.669) 0.957 26.083 ( -4.095 7.196 4.950) 9.646 26.305 ( 1.436 -2.340 2.255) 3.553 35.401 ( -3.068 5.166 -0.018) 6.008 35.664 ( 2.513 -4.064 0.463) 4.800 36.038 ( -0.393 1.605 0.128) 1.657 36.083 ( -0.421 -0.493 -0.165) 0.669 36.364 ( 1.182 -1.884 -0.681) 2.326 38.284 ( 0.144 -0.252 1.373) 1.403 92.261 ( -0.062 0.108 -0.646) 0.658 93.583 ( -1.417 2.381 -1.029) 2.955 93.721 ( 1.456 -2.476 -1.126) 3.085 96.106 ( -1.231 2.435 3.202) 4.207 96.224 ( 0.792 -0.676 1.505) 1.830 96.248 ( 0.545 -1.912 -1.708) 2.621 ======================= Grid point 27 (17/188) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -14.901 3.061 5.706) 16.247 1.922 ( -11.703 -1.186 0.709) 11.784 2.435 ( -1.086 -3.782 3.237) 5.095 3.413 ( -4.368 5.204 8.789) 11.109 4.249 ( 0.676 -4.904 6.483) 8.157 4.699 ( 14.378 0.765 3.974) 14.936 5.386 ( -0.432 4.841 -4.961) 6.945 5.543 ( -5.740 -3.163 -5.359) 8.466 6.139 ( 9.011 -3.528 2.271) 9.940 6.732 ( -4.705 3.971 0.297) 6.164 6.942 ( 0.199 7.306 -2.817) 7.833 7.255 ( 2.960 -8.813 -1.256) 9.381 8.552 ( -0.183 0.806 -4.501) 4.577 8.881 ( -1.066 1.921 1.863) 2.881 8.998 ( 2.466 -2.187 8.062) 8.709 9.839 ( -4.011 3.773 -12.825) 13.957 10.134 ( -0.011 -0.595 -10.917) 10.933 10.385 ( -0.209 -3.419 0.604) 3.478 10.877 ( -4.423 0.019 9.386) 10.376 10.899 ( -2.374 0.847 4.773) 5.398 11.261 ( 5.707 -0.321 0.326) 5.725 15.345 ( -0.643 1.782 7.357) 7.597 15.557 ( -3.711 -0.993 2.731) 4.713 15.792 ( 2.490 -1.153 2.513) 3.721 15.914 ( -3.041 1.258 -4.304) 5.418 16.070 ( 0.482 -0.200 -0.422) 0.671 16.135 ( 2.988 -0.760 -5.642) 6.429 23.217 ( 6.227 -1.212 -1.273) 6.471 24.331 ( -7.616 8.710 -3.178) 11.999 25.090 ( 5.891 -10.083 -5.983) 13.121 25.275 ( 2.316 0.092 -1.227) 2.622 26.046 ( -6.827 4.075 4.628) 9.200 26.305 ( 0.789 -1.586 2.694) 3.224 35.377 ( -4.158 2.742 -0.172) 4.984 35.644 ( -0.460 -3.151 0.362) 3.205 36.040 ( -0.778 0.481 -0.289) 0.959 36.071 ( -0.318 0.047 0.593) 0.675 36.416 ( 5.380 0.030 -0.713) 5.427 38.289 ( 0.645 -0.023 1.230) 1.389 92.258 ( -0.344 -0.006 -0.571) 0.667 93.569 ( -2.044 1.089 -1.037) 2.537 93.733 ( 1.896 -1.178 -1.248) 2.558 96.109 ( -0.647 1.464 4.000) 4.308 96.237 ( 1.138 -1.397 2.929) 3.439 96.240 ( 0.421 0.027 -3.898) 3.921 ======================= Grid point 35 (18/188) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 3.112 4.144 2.212) 5.635 2.103 ( 5.297 10.742 5.243) 13.074 2.345 ( -3.917 -7.229 5.031) 9.639 3.527 ( 2.098 4.354 10.392) 11.461 4.257 ( 2.722 3.730 6.757) 8.184 4.451 ( -6.802 -11.644 6.063) 14.785 5.423 ( 0.387 1.084 -8.516) 8.593 5.678 ( 5.223 9.074 -0.902) 10.509 5.936 ( -5.885 -10.290 0.646) 11.872 6.834 ( 2.023 4.490 -1.005) 5.026 7.013 ( 2.823 -0.200 -2.971) 4.103 7.115 ( -4.363 -3.468 -1.999) 5.921 8.565 ( 0.284 0.587 -5.589) 5.627 8.915 ( 1.441 0.129 4.966) 5.173 8.943 ( -1.781 -0.763 6.520) 6.802 9.954 ( 3.473 5.041 -15.832) 16.974 10.086 ( -2.624 -3.335 -15.720) 16.283 10.367 ( -0.046 -0.801 4.821) 4.887 10.931 ( -0.170 4.118 8.338) 9.301 10.953 ( 2.332 0.121 7.243) 7.610 11.170 ( -1.959 -3.510 1.135) 4.177 15.362 ( 0.154 0.651 8.843) 8.868 15.628 ( 2.593 3.192 2.502) 4.814 15.723 ( -2.417 -3.424 2.813) 5.047 15.983 ( 1.872 3.483 -5.072) 6.431 16.061 ( -0.030 -0.644 -1.117) 1.290 16.072 ( -1.914 -2.810 -4.992) 6.040 23.135 ( -1.224 -2.132 -1.779) 3.035 24.558 ( 6.292 10.943 -4.558) 13.420 24.872 ( -6.179 -10.664 -5.641) 13.554 25.253 ( -0.278 -0.633 -0.766) 1.031 26.171 ( 2.639 4.563 4.209) 6.745 26.265 ( -1.418 -2.379 3.010) 4.091 35.479 ( 2.779 4.679 0.104) 5.443 35.596 ( -1.924 -3.155 0.480) 3.726 36.058 ( 0.233 1.238 0.025) 1.260 36.077 ( 0.283 -0.451 -0.090) 0.541 36.344 ( -1.263 -2.124 -0.809) 2.600 38.281 ( -0.132 -0.230 1.602) 1.624 92.262 ( 0.066 0.114 -0.756) 0.767 93.618 ( 1.423 2.421 -1.206) 3.056 93.685 ( -1.413 -2.412 -1.218) 3.049 96.142 ( 1.024 1.938 3.726) 4.323 96.199 ( -1.140 -1.879 3.319) 3.980 96.235 ( -0.041 -0.322 -3.632) 3.647 ======================= Grid point 109 (19/188) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 0.000 0.000 23.446) 23.446 0.481 ( 0.000 0.000 23.446) 23.446 0.809 ( 0.000 -0.000 38.463) 38.463 3.428 ( 0.000 0.000 17.375) 17.375 5.329 ( 0.000 0.000 -0.816) 0.816 5.620 ( 0.000 0.000 -2.549) 2.549 5.620 ( 0.000 0.000 -2.549) 2.549 5.742 ( 0.000 0.000 3.102) 3.102 5.742 ( -0.000 0.000 3.102) 3.102 5.844 ( 0.000 0.000 8.380) 8.380 7.084 ( 0.000 0.000 -9.918) 9.918 7.084 ( 0.000 -0.000 -9.918) 9.918 8.710 ( 0.000 -0.000 -14.186) 14.186 8.710 ( 0.000 -0.000 -14.186) 14.186 9.141 ( 0.000 0.000 -4.580) 4.580 9.992 ( 0.000 0.000 8.232) 8.232 9.992 ( 0.000 -0.000 8.232) 8.232 10.447 ( 0.000 -0.000 1.434) 1.434 10.533 ( 0.000 -0.000 8.205) 8.205 10.533 ( 0.000 -0.000 8.205) 8.205 12.261 ( 0.000 -0.000 -11.082) 11.082 15.363 ( 0.000 -0.000 -0.310) 0.310 15.363 ( 0.000 -0.000 -0.310) 0.310 15.814 ( 0.000 -0.000 0.424) 0.424 15.814 ( 0.000 0.000 0.424) 0.424 16.074 ( 0.000 -0.000 0.314) 0.314 16.585 ( -0.000 0.000 0.647) 0.647 24.229 ( 0.000 -0.000 -1.056) 1.056 24.229 ( -0.000 0.000 -1.056) 1.056 25.287 ( 0.000 0.000 3.119) 3.119 25.535 ( 0.000 0.000 1.467) 1.467 25.535 ( 0.000 0.000 1.467) 1.467 26.137 ( 0.000 0.000 -4.185) 4.185 35.153 ( 0.000 0.000 -6.163) 6.163 35.153 ( 0.000 -0.000 -6.163) 6.163 36.078 ( -0.000 0.000 4.969) 4.969 36.078 ( 0.000 0.000 4.969) 4.969 36.866 ( 0.000 0.000 2.825) 2.825 38.721 ( 0.000 -0.000 -3.400) 3.400 92.220 ( 0.000 0.000 -0.055) 0.055 93.505 ( 0.000 0.000 1.490) 1.490 93.505 ( 0.000 0.000 1.490) 1.490 96.181 ( 0.000 0.000 -4.065) 4.065 96.181 ( 0.000 0.000 -4.065) 4.065 99.990 ( 0.000 -0.000 0.018) 0.018 ======================= Grid point 110 (20/188) ======================= q-point: ( 0.10 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 16.305 11.892 12.806) 23.901 0.694 ( 9.803 13.497 19.000) 25.283 1.157 ( 26.145 10.221 25.632) 38.013 3.434 ( 0.063 1.036 16.818) 16.850 4.956 ( -18.289 -4.695 8.870) 20.861 5.432 ( -8.421 -10.168 0.178) 13.204 5.653 ( 0.804 -4.338 -3.268) 5.490 5.759 ( -0.349 -3.059 4.369) 5.345 5.948 ( 6.587 9.809 1.576) 11.920 6.163 ( 16.090 11.738 -13.556) 24.092 7.023 ( -0.935 -3.106 -12.320) 12.740 7.129 ( 0.229 1.864 -6.394) 6.664 8.676 ( -1.321 1.531 -14.431) 14.572 8.729 ( 1.211 -5.109 -11.352) 12.508 9.042 ( -7.972 0.854 -2.592) 8.426 9.972 ( -1.338 -1.366 8.247) 8.466 10.014 ( 1.534 -0.415 6.020) 6.226 10.422 ( 0.760 -2.412 4.557) 5.211 10.553 ( 1.351 3.500 7.005) 7.947 10.636 ( 5.768 3.425 6.359) 9.243 11.993 ( -15.727 -9.321 5.978) 19.235 15.353 ( 0.391 0.318 -0.975) 1.098 15.358 ( -3.021 1.636 2.729) 4.388 15.778 ( -2.018 0.540 -1.457) 2.547 15.833 ( 1.875 -1.183 0.936) 2.407 16.075 ( 0.123 0.026 0.260) 0.289 16.462 ( -5.116 -5.848 7.164) 10.568 24.080 ( -11.952 -7.655 1.326) 14.255 24.217 ( -1.348 -0.960 -0.586) 1.756 25.269 ( -0.778 -1.446 3.393) 3.770 25.414 ( 0.661 -3.851 15.636) 16.117 25.572 ( 1.272 5.578 2.699) 6.326 26.150 ( -0.551 0.970 -7.287) 7.371 35.153 ( 0.970 -1.143 -6.595) 6.763 35.266 ( 5.810 4.724 -10.709) 13.068 36.074 ( 0.209 0.026 4.672) 4.677 36.091 ( 0.573 0.492 5.376) 5.429 36.835 ( -2.654 -1.556 2.838) 4.186 38.549 ( -9.383 -5.258 5.666) 12.157 92.215 ( -0.215 -0.172 -0.297) 0.405 93.505 ( 0.962 -1.153 1.191) 1.916 93.590 ( 5.068 3.905 -2.926) 7.035 96.172 ( -0.069 -0.264 -4.622) 4.630 96.192 ( -0.151 0.593 -3.013) 3.075 98.464 ( -79.372 -45.510 85.975) 125.550 ======================= Grid point 111 (21/188) ======================= q-point: ( 0.20 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 12.391 15.673 13.039) 23.858 1.110 ( 20.662 13.570 6.642) 25.596 1.729 ( 25.694 11.895 13.477) 31.357 3.446 ( -1.034 2.587 15.127) 15.381 4.658 ( -13.707 -1.854 5.366) 14.836 5.200 ( -8.352 -7.627 -0.564) 11.325 5.576 ( -5.021 -4.145 -1.142) 6.611 5.713 ( 0.738 -5.281 6.052) 8.066 6.146 ( 7.095 5.547 -0.759) 9.038 6.387 ( 1.561 5.978 -12.180) 13.658 6.985 ( -0.782 -3.912 -10.044) 10.807 7.149 ( 1.363 1.631 -6.574) 6.909 8.626 ( -3.013 -6.104 -3.908) 7.849 8.716 ( 2.229 0.116 -18.050) 18.187 8.963 ( -5.466 5.458 -5.811) 9.666 9.919 ( -1.119 -4.350 9.355) 10.378 10.032 ( 1.681 -0.975 3.277) 3.810 10.440 ( 3.267 -1.475 4.477) 5.735 10.626 ( 2.074 4.525 6.843) 8.462 10.767 ( 4.746 4.421 5.168) 8.293 11.711 ( -8.967 -5.223 8.358) 13.324 15.314 ( -3.597 1.884 2.998) 5.047 15.387 ( 1.448 3.144 -2.430) 4.229 15.767 ( -0.299 0.848 -3.411) 3.528 15.857 ( 2.032 -0.947 1.079) 2.488 16.078 ( 0.185 -0.036 0.140) 0.235 16.352 ( -1.738 -5.684 5.924) 8.392 23.776 ( -12.567 -7.915 3.106) 15.173 24.168 ( -2.177 -2.533 0.005) 3.340 25.253 ( 0.932 -1.869 2.856) 3.538 25.479 ( 8.329 -4.589 9.321) 13.315 25.671 ( -0.059 11.266 6.829) 13.175 26.160 ( 0.589 1.977 -8.654) 8.896 35.162 ( 1.158 -0.650 -6.840) 6.968 35.395 ( 4.846 3.602 -9.234) 11.033 36.084 ( 0.674 0.248 4.493) 4.550 36.104 ( 0.293 0.468 5.936) 5.961 36.749 ( -4.725 -2.832 2.895) 6.223 38.395 ( -4.777 -2.303 3.335) 6.265 92.215 ( 0.329 0.007 -1.062) 1.112 93.514 ( 1.152 -0.812 1.183) 1.840 93.698 ( 3.603 2.010 -3.760) 5.582 96.171 ( 0.023 -0.598 -3.474) 3.526 96.188 ( -1.173 1.578 -2.659) 3.307 97.239 ( -32.655 -18.739 69.822) 79.326 ======================= Grid point 112 (22/188) ======================= q-point: ( 0.30 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 11.902 13.578 9.498) 20.402 1.572 ( 17.974 11.308 6.663) 22.256 2.211 ( 16.838 10.171 4.406) 20.159 3.435 ( -3.740 2.860 14.559) 15.302 4.460 ( -8.405 1.137 2.839) 8.944 4.996 ( -8.529 -4.675 -1.182) 9.797 5.424 ( -6.497 -5.251 0.611) 8.376 5.685 ( 1.909 -4.972 6.921) 8.733 6.288 ( 6.243 -0.126 -2.813) 6.849 6.403 ( -4.745 5.692 -9.498) 12.047 6.901 ( -3.751 -3.868 -4.233) 6.852 7.221 ( 4.999 0.697 -9.048) 10.360 8.523 ( -1.695 -5.483 -3.899) 6.938 8.765 ( 1.915 1.681 -17.887) 18.067 8.926 ( -4.827 3.846 -5.973) 8.589 9.864 ( 0.868 -5.848 9.793) 11.439 10.059 ( 2.719 -1.268 1.181) 3.224 10.490 ( 3.571 -0.887 1.512) 3.978 10.706 ( 1.878 5.133 7.148) 8.998 10.877 ( 2.750 4.548 4.328) 6.854 11.554 ( -5.645 -2.727 7.683) 9.916 15.279 ( -2.860 2.187 1.553) 3.921 15.456 ( 1.927 4.596 -3.757) 6.241 15.777 ( 0.208 0.924 -3.552) 3.676 15.878 ( 1.594 -1.254 1.542) 2.548 16.080 ( 0.194 -0.086 0.048) 0.217 16.275 ( -1.099 -5.297 3.741) 6.577 23.523 ( -8.828 -5.812 2.709) 10.911 24.102 ( -2.024 -3.254 0.524) 3.868 25.261 ( 1.744 -1.438 2.511) 3.379 25.554 ( 8.025 -9.089 2.178) 12.319 25.764 ( -3.673 13.356 7.981) 15.987 26.215 ( 2.715 3.006 -6.306) 7.495 35.179 ( 1.104 -0.058 -6.875) 6.964 35.514 ( 5.204 3.319 -7.248) 9.520 36.097 ( 0.569 -0.260 5.206) 5.244 36.111 ( 0.050 0.861 5.673) 5.738 36.627 ( -5.574 -3.495 3.031) 7.243 38.318 ( -2.794 -0.850 -0.213) 2.928 92.224 ( 0.599 -0.001 -1.499) 1.614 93.527 ( 1.096 -0.480 1.310) 1.774 93.754 ( 1.761 0.364 -1.837) 2.571 96.145 ( -2.277 -0.114 0.973) 2.479 96.197 ( -0.009 1.847 -4.838) 5.178 96.761 ( -12.201 -7.893 42.997) 45.386 ======================= Grid point 113 (23/188) ======================= q-point: ( 0.40 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 7.214 9.804 7.331) 14.210 1.909 ( 10.286 6.149 7.981) 14.399 2.482 ( 5.596 6.024 -3.134) 8.799 3.384 ( -5.062 3.580 16.305) 17.444 4.412 ( -0.866 5.217 0.930) 5.370 4.813 ( -9.161 -1.703 -0.978) 9.369 5.281 ( -3.256 -5.346 1.602) 6.461 5.669 ( 0.915 -4.530 5.517) 7.197 6.342 ( 3.549 -5.529 -8.466) 10.716 6.391 ( -3.558 7.889 -3.138) 9.206 6.813 ( -2.182 -2.354 -0.954) 3.349 7.307 ( 4.550 -0.759 -9.927) 10.946 8.468 ( 0.454 -3.459 -4.284) 5.525 8.803 ( -0.113 2.316 -16.374) 16.537 8.870 ( -4.201 0.996 -6.296) 7.634 9.839 ( 3.145 -6.139 9.553) 11.783 10.092 ( 2.574 -1.699 -0.085) 3.085 10.528 ( 2.019 -1.746 -1.522) 3.073 10.801 ( 2.730 6.562 7.861) 10.597 10.947 ( 0.660 3.726 4.003) 5.508 11.447 ( -4.783 -1.575 8.352) 9.752 15.261 ( -2.162 2.881 0.670) 3.664 15.533 ( 1.546 4.611 -4.543) 6.655 15.788 ( -0.209 1.152 -3.387) 3.583 15.884 ( 1.253 -2.452 2.081) 3.451 16.084 ( 0.321 -0.019 0.171) 0.364 16.210 ( -0.781 -4.423 1.959) 4.900 23.366 ( -4.210 -3.314 2.414) 5.876 24.044 ( -0.860 -3.075 0.803) 3.292 25.279 ( 1.495 -0.907 2.404) 2.972 25.574 ( 6.489 -11.789 -1.703) 13.564 25.811 ( -5.768 12.823 6.199) 15.366 26.291 ( 2.267 2.758 -2.865) 4.577 35.197 ( 0.807 0.265 -6.762) 6.815 35.628 ( 4.169 2.576 -6.288) 7.972 36.095 ( -0.116 -0.553 6.546) 6.571 36.125 ( 0.396 0.942 4.771) 4.879 36.506 ( -4.285 -2.973 3.223) 6.131 38.277 ( -1.660 0.040 -2.156) 2.722 92.233 ( 0.548 -0.166 -1.628) 1.726 93.540 ( 0.832 -0.345 1.521) 1.767 93.772 ( 0.643 -0.493 -0.621) 1.021 96.104 ( -2.513 0.741 2.515) 3.631 96.216 ( 0.024 1.811 -4.504) 4.854 96.581 ( -3.620 -3.763 28.989) 29.455 ======================= Grid point 114 (24/188) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -1.985 3.701 6.300) 7.571 2.007 ( -2.597 -0.608 7.404) 7.870 2.547 ( -1.453 1.840 -5.956) 6.401 3.364 ( -2.715 6.677 17.968) 19.359 4.496 ( 0.692 5.267 1.616) 5.552 4.679 ( -3.426 2.546 -1.637) 4.572 5.227 ( 2.033 -3.013 2.583) 4.459 5.602 ( -3.018 -5.482 0.739) 6.302 6.364 ( -1.819 6.356 -6.408) 9.207 6.410 ( 4.615 -4.710 -2.470) 7.041 6.792 ( 1.155 -0.149 0.698) 1.358 7.347 ( 1.643 -2.085 -10.688) 11.012 8.466 ( 2.214 -1.975 -3.785) 4.809 8.770 ( -5.459 1.371 -7.526) 9.398 8.848 ( 0.550 0.733 -15.520) 15.547 9.848 ( 4.628 -5.618 9.361) 11.857 10.103 ( 1.064 -2.722 -0.399) 2.949 10.522 ( -0.288 -2.219 -1.686) 2.802 10.927 ( 3.355 7.541 9.345) 12.468 10.971 ( -1.084 1.776 4.173) 4.663 11.356 ( -4.147 -0.987 6.970) 8.170 15.261 ( -1.593 3.718 0.564) 4.084 15.590 ( 0.182 3.453 -4.465) 5.647 15.787 ( -1.514 1.395 -3.566) 4.118 15.874 ( 1.273 -3.700 2.457) 4.620 16.090 ( 0.360 -0.151 0.660) 0.766 16.169 ( 0.605 -3.070 0.539) 3.175 23.318 ( 0.931 -0.476 2.520) 2.728 24.017 ( 0.894 -2.183 0.730) 2.469 25.289 ( 0.429 -0.398 2.546) 2.613 25.546 ( 4.650 -13.094 -3.594) 14.353 25.825 ( -6.414 11.310 5.364) 14.065 26.336 ( 0.362 1.705 -1.461) 2.274 35.209 ( 0.360 0.112 -6.562) 6.573 35.679 ( -0.436 0.134 -6.092) 6.109 36.089 ( -0.205 0.035 6.740) 6.743 36.144 ( 0.988 0.408 5.086) 5.197 36.444 ( -0.260 -0.678 3.094) 3.178 38.262 ( -0.510 0.792 -2.774) 2.929 92.238 ( 0.263 -0.383 -1.613) 1.679 93.547 ( 0.474 -0.501 1.729) 1.862 93.770 ( -0.002 -0.863 -0.481) 0.988 96.083 ( -1.316 1.745 2.340) 3.202 96.231 ( -0.313 1.647 -3.555) 3.931 96.535 ( 0.837 -1.513 24.802) 24.862 ======================= Grid point 116 (25/188) ======================= q-point: (-0.40 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -11.216 -2.112 6.766) 13.268 1.823 ( -14.106 -5.673 4.447) 15.841 2.472 ( -7.632 -2.835 -1.747) 8.327 3.420 ( -0.176 8.306 17.736) 19.586 4.446 ( -5.299 1.564 1.461) 5.715 4.830 ( 9.754 7.944 -0.102) 12.580 5.288 ( 6.108 0.500 3.712) 7.165 5.492 ( -2.237 -5.141 -3.436) 6.576 6.349 ( -5.515 4.395 -4.471) 8.350 6.484 ( 6.956 -3.360 -3.386) 8.435 6.842 ( 3.989 0.504 0.466) 4.047 7.324 ( -1.663 -2.143 -10.354) 10.704 8.501 ( 3.598 -1.054 -2.746) 4.647 8.686 ( -4.425 -0.422 -9.842) 10.800 8.875 ( 0.432 2.801 -15.553) 15.809 9.882 ( 5.088 -4.492 9.344) 11.549 10.077 ( -0.255 -3.538 0.345) 3.564 10.480 ( -1.869 -2.210 0.348) 2.915 10.941 ( -3.362 0.248 4.260) 5.432 11.017 ( -2.001 4.230 14.580) 15.312 11.323 ( 1.966 1.516 1.028) 2.687 15.278 ( -1.172 4.404 1.137) 4.697 15.597 ( -2.429 1.421 -3.379) 4.397 15.768 ( -1.997 1.320 -4.150) 4.791 15.858 ( 1.208 -3.687 2.322) 4.522 16.088 ( -0.116 -0.529 0.576) 0.790 16.179 ( 3.310 -1.841 0.661) 3.845 23.390 ( 6.240 2.554 3.170) 7.450 24.032 ( 2.550 -0.930 0.321) 2.733 25.285 ( -0.526 -0.221 2.894) 2.949 25.477 ( 2.155 -12.713 -3.444) 13.346 25.812 ( -6.772 8.599 5.107) 12.078 26.339 ( -1.373 0.803 -1.745) 2.361 35.210 ( -0.067 -0.388 -6.302) 6.314 35.621 ( -4.459 -2.114 -6.382) 8.067 36.084 ( -0.582 0.139 6.297) 6.325 36.158 ( 0.318 -0.305 5.695) 5.712 36.492 ( 4.594 2.260 2.645) 5.763 38.275 ( 0.739 1.423 -2.179) 2.706 92.235 ( -0.089 -0.535 -1.532) 1.625 93.546 ( 0.180 -0.891 1.843) 2.055 93.756 ( -0.525 -1.019 -1.184) 1.648 96.093 ( -0.014 2.335 1.023) 2.550 96.238 ( -0.712 1.418 -2.755) 3.179 96.581 ( 5.143 1.136 28.899) 29.375 ======================= Grid point 117 (26/188) ======================= q-point: (-0.30 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -17.043 -4.686 7.925) 19.371 1.458 ( -19.559 -8.033 4.046) 21.528 2.207 ( -16.327 -9.731 5.002) 19.654 3.482 ( -1.609 5.718 17.234) 18.229 4.442 ( 1.983 5.103 1.472) 5.669 5.074 ( 9.339 6.999 2.140) 11.865 5.411 ( 6.229 -0.851 2.243) 6.676 5.480 ( 5.790 0.200 -3.210) 6.623 6.273 ( -7.017 1.746 -3.962) 8.245 6.538 ( 1.634 -1.924 -5.683) 6.218 6.916 ( 4.558 -1.362 -2.699) 5.469 7.262 ( -3.500 -0.723 -8.138) 8.888 8.567 ( 5.014 -1.363 -1.231) 5.339 8.626 ( -1.673 0.390 -13.325) 13.435 8.914 ( -0.371 4.667 -15.152) 15.859 9.929 ( 4.680 -3.102 9.316) 10.878 10.034 ( -0.690 -3.168 1.920) 3.768 10.424 ( -1.846 -2.282 3.192) 4.336 10.861 ( -4.989 -1.875 4.004) 6.666 10.938 ( -8.118 0.145 13.939) 16.131 11.454 ( 8.170 4.785 1.566) 9.597 15.306 ( -0.937 4.658 1.964) 5.142 15.539 ( -4.727 -0.041 -1.988) 5.128 15.751 ( -1.239 0.910 -4.487) 4.743 15.844 ( 0.971 -2.955 1.760) 3.574 16.082 ( -0.086 -0.377 0.176) 0.425 16.237 ( 5.189 -1.575 2.447) 5.949 23.578 ( 11.059 5.372 4.244) 13.007 24.081 ( 3.449 0.254 -0.270) 3.469 25.271 ( -0.334 -1.032 3.074) 3.260 25.372 ( -1.111 -9.858 -0.256) 9.924 25.761 ( -6.943 4.960 4.469) 9.632 26.310 ( -2.456 0.303 -2.888) 3.803 35.200 ( -0.319 -1.002 -6.056) 6.147 35.510 ( -5.388 -2.577 -7.634) 9.693 36.074 ( -0.484 0.002 5.670) 5.691 36.147 ( -0.850 -0.648 5.752) 5.850 36.618 ( 6.130 3.298 2.653) 7.450 38.316 ( 2.132 1.991 -0.227) 2.926 92.226 ( -0.302 -0.523 -1.366) 1.494 93.537 ( 0.061 -1.332 1.816) 2.253 93.730 ( -1.396 -1.221 -2.595) 3.190 96.120 ( 0.563 1.883 -1.260) 2.335 96.234 ( -1.090 0.985 -2.533) 2.928 96.762 ( 13.120 6.625 43.074) 45.513 ======================= Grid point 118 (27/188) ======================= q-point: (-0.20 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -22.395 -6.084 3.736) 23.505 1.056 ( -17.939 -6.805 13.763) 23.613 1.738 ( -22.780 -16.117 13.413) 30.961 3.474 ( -3.043 1.863 16.886) 17.258 4.615 ( 9.079 9.750 3.918) 13.887 5.281 ( 7.507 6.398 3.039) 10.321 5.505 ( 8.418 -3.541 -3.453) 9.763 5.633 ( 8.084 1.784 3.338) 8.926 6.141 ( -10.019 0.733 -3.141) 10.525 6.476 ( -6.691 -3.582 -10.667) 13.091 6.966 ( 3.801 -2.299 -7.995) 9.146 7.199 ( -3.600 0.213 -5.850) 6.872 8.595 ( 1.521 -0.475 -12.896) 12.994 8.689 ( 6.180 -0.126 -2.602) 6.706 8.953 ( -1.361 6.928 -13.829) 15.527 9.976 ( 3.634 -2.032 9.114) 10.020 9.998 ( -0.632 -1.458 3.924) 4.234 10.385 ( 0.177 -1.942 5.397) 5.739 10.739 ( -6.521 -2.554 3.506) 7.832 10.782 ( -8.356 -2.280 10.967) 13.975 11.673 ( 11.286 6.375 6.108) 14.329 15.332 ( -0.935 3.652 2.061) 4.296 15.454 ( -4.754 0.175 -0.738) 4.814 15.746 ( -0.165 0.987 -3.597) 3.734 15.833 ( 0.864 -2.457 1.333) 2.925 16.078 ( -0.060 -0.201 0.137) 0.251 16.323 ( 6.523 -0.958 5.267) 8.439 23.858 ( 13.858 6.972 4.412) 16.128 24.147 ( 3.228 1.001 -0.821) 3.478 25.242 ( 1.166 -7.579 4.955) 9.130 25.282 ( -2.202 1.058 5.662) 6.167 25.678 ( -6.416 1.581 3.290) 7.382 26.263 ( -3.161 -0.128 -4.618) 5.598 35.181 ( -0.269 -1.544 -5.939) 6.142 35.393 ( -5.585 -2.324 -9.977) 11.668 36.069 ( -0.127 -0.006 5.107) 5.109 36.122 ( -1.263 -0.658 5.566) 5.745 36.746 ( 5.001 2.787 2.776) 6.362 38.393 ( 4.435 3.014 3.359) 6.327 92.216 ( -0.206 -0.302 -0.970) 1.037 93.523 ( 0.151 -1.650 1.668) 2.351 93.678 ( -3.255 -1.692 -4.277) 5.634 96.145 ( 0.685 0.963 -3.328) 3.532 96.220 ( -1.273 0.361 -2.806) 3.102 97.243 ( 32.578 18.907 69.778) 79.296 ======================= Grid point 119 (28/188) ======================= q-point: (-0.10 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -16.443 -5.352 12.837) 21.537 0.707 ( -16.236 -3.235 19.305) 25.432 1.165 ( -22.437 -17.610 25.210) 38.067 3.439 ( -1.580 0.110 17.153) 17.226 4.933 ( 15.038 13.825 8.575) 22.155 5.468 ( 8.772 3.525 1.848) 9.633 5.612 ( 8.057 -4.250 -3.052) 9.607 5.755 ( 5.197 -0.542 4.790) 7.088 5.942 ( -14.388 0.809 -2.560) 14.636 6.194 ( -19.447 -10.199 -12.363) 25.201 7.016 ( 3.768 -0.246 -11.205) 11.824 7.143 ( -3.097 -0.166 -6.717) 7.398 8.642 ( 2.728 2.155 -14.706) 15.111 8.752 ( 1.767 -3.089 -8.943) 9.625 9.039 ( 3.603 7.502 -5.110) 9.766 9.985 ( -0.168 0.094 6.648) 6.651 10.003 ( 1.146 -1.378 8.033) 8.230 10.400 ( 2.913 -0.389 5.153) 5.932 10.601 ( -6.953 -0.884 4.314) 8.230 10.626 ( -5.542 -4.290 8.673) 11.150 11.988 ( 16.610 9.344 5.653) 19.879 15.343 ( -0.235 1.092 0.522) 1.233 15.394 ( -2.797 0.808 0.463) 2.948 15.773 ( 1.202 2.554 -0.979) 2.987 15.825 ( 0.810 -2.101 1.078) 2.497 16.075 ( -0.070 -0.087 0.254) 0.278 16.453 ( 8.505 1.987 7.241) 11.345 24.133 ( 9.496 4.222 0.564) 10.407 24.203 ( 1.787 1.343 -1.133) 2.506 25.262 ( 4.737 -0.113 6.926) 8.391 25.307 ( 6.500 3.659 13.463) 15.391 25.586 ( -4.719 -0.086 2.134) 5.180 26.198 ( -3.930 -1.055 -6.575) 7.733 35.163 ( 0.135 -1.818 -6.020) 6.290 35.262 ( -7.183 -2.582 -11.422) 13.737 36.070 ( 0.211 0.073 4.823) 4.828 36.095 ( -1.085 -0.512 5.287) 5.422 36.835 ( 2.719 1.547 2.824) 4.215 38.548 ( 9.293 5.525 5.690) 12.217 92.215 ( 0.225 0.082 -0.278) 0.367 93.511 ( 0.416 -1.760 1.455) 2.322 93.582 ( -5.531 -1.922 -3.130) 6.639 96.164 ( 0.805 0.449 -4.247) 4.346 96.200 ( -1.123 -0.176 -3.388) 3.574 98.465 ( 78.967 45.907 85.891) 125.382 ======================= Grid point 121 (29/188) ======================= q-point: ( 0.10 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 14.143 19.481 7.031) 25.079 1.032 ( 10.609 17.413 14.543) 25.045 1.539 ( 14.144 25.530 16.564) 33.559 3.482 ( 0.933 3.653 17.298) 17.704 4.765 ( -4.280 -12.599 6.886) 14.982 5.278 ( -9.884 -5.123 0.336) 11.137 5.529 ( 4.035 -8.202 -2.615) 9.508 5.645 ( -3.787 -6.905 3.269) 8.527 6.133 ( 2.918 8.281 -0.133) 8.781 6.438 ( 4.739 11.303 -11.854) 17.051 6.951 ( -0.807 -3.537 -12.510) 13.025 7.171 ( -1.310 2.165 -5.088) 5.683 8.609 ( -1.579 -5.469 -7.487) 9.405 8.687 ( 0.069 -0.812 -11.240) 11.269 9.046 ( 0.237 -0.839 -12.283) 12.314 9.922 ( -3.917 -3.297 11.613) 12.692 10.006 ( 0.890 -0.201 4.171) 4.269 10.378 ( 1.380 -0.874 5.117) 5.372 10.674 ( -0.007 7.289 6.182) 9.557 10.751 ( 3.980 7.723 7.012) 11.165 11.756 ( -5.666 -12.108 7.646) 15.400 15.378 ( 1.562 1.922 0.547) 2.536 15.419 ( -2.360 3.694 1.384) 4.597 15.782 ( -0.045 -0.638 -1.339) 1.483 15.805 ( 1.652 -0.445 -0.792) 1.885 16.076 ( 0.034 0.019 0.117) 0.124 16.318 ( -2.745 -6.947 6.309) 9.778 23.868 ( -11.034 -12.928 3.164) 17.288 24.200 ( -0.423 -1.040 -0.992) 1.498 25.188 ( 0.763 -5.115 6.052) 7.960 25.328 ( 3.904 -1.364 6.293) 7.530 25.720 ( 5.936 7.835 5.424) 11.227 26.218 ( -2.405 4.155 -5.790) 7.522 35.157 ( -0.126 1.248 -6.669) 6.786 35.367 ( 2.954 4.985 -10.015) 11.571 36.073 ( 0.520 0.033 4.933) 4.961 36.110 ( 0.113 1.227 5.486) 5.623 36.775 ( -2.490 -4.470 2.796) 5.830 38.429 ( -3.051 -5.408 4.589) 7.721 92.213 ( -0.004 0.076 -0.899) 0.902 93.500 ( -0.076 0.454 0.774) 0.901 93.667 ( 2.637 3.247 -3.570) 5.499 96.161 ( 0.445 -0.544 -3.729) 3.794 96.215 ( -0.201 1.401 -2.894) 3.221 97.470 ( -24.542 -42.231 78.310) 92.294 ======================= Grid point 122 (30/188) ======================= q-point: ( 0.20 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 9.948 17.814 10.311) 22.861 1.413 ( 15.662 15.921 8.332) 23.838 2.039 ( 17.006 17.515 7.806) 25.630 3.528 ( -1.357 5.597 17.404) 18.333 4.569 ( -6.422 -6.913 5.618) 10.981 5.083 ( -7.657 -3.850 -0.524) 8.587 5.479 ( -5.931 -6.053 0.143) 8.475 5.542 ( 5.494 -9.519 2.023) 11.175 6.222 ( 1.371 2.462 -2.032) 3.474 6.550 ( -1.788 7.622 -6.623) 10.255 6.915 ( -0.508 -3.058 -11.449) 11.861 7.161 ( 0.109 -0.035 -5.460) 5.461 8.510 ( -2.747 -4.518 -4.297) 6.814 8.725 ( 3.358 0.031 -15.571) 15.929 9.026 ( -2.554 0.797 -11.959) 12.254 9.824 ( -2.492 -4.428 10.920) 12.044 10.016 ( 1.072 -0.805 1.794) 2.240 10.419 ( 3.361 -0.055 4.266) 5.431 10.751 ( 0.499 7.243 6.560) 9.785 10.885 ( 2.870 7.046 6.416) 9.952 11.585 ( -3.617 -7.177 6.295) 10.209 15.374 ( -4.237 4.026 4.178) 7.184 15.463 ( 2.573 3.776 -2.661) 5.288 15.778 ( 0.144 0.188 -2.672) 2.683 15.840 ( 2.035 -0.411 -0.396) 2.113 16.076 ( 0.101 -0.145 -0.034) 0.180 16.225 ( -0.722 -6.458 3.334) 7.304 23.579 ( -8.338 -11.222 2.724) 14.244 24.167 ( -3.741 2.007 -0.874) 4.334 25.172 ( 3.711 -6.062 2.122) 7.417 25.373 ( 3.832 -3.911 3.016) 6.251 25.898 ( 3.217 10.101 8.246) 13.430 26.226 ( -0.728 3.850 -5.678) 6.899 35.178 ( 0.491 2.187 -6.877) 7.233 35.464 ( 3.859 3.306 -7.824) 9.329 36.086 ( 0.676 0.182 5.277) 5.323 36.122 ( -0.074 1.074 5.599) 5.702 36.668 ( -4.191 -5.285 2.787) 7.298 38.348 ( -2.252 -2.248 1.180) 3.393 92.217 ( 0.278 0.175 -1.533) 1.568 93.512 ( 0.709 0.602 0.667) 1.145 93.724 ( 1.853 0.595 -2.226) 2.957 96.163 ( -0.027 -0.076 -1.732) 1.734 96.221 ( -0.642 1.616 -2.765) 3.267 96.876 ( -13.752 -16.237 51.284) 55.523 ======================= Grid point 123 (31/188) ======================= q-point: ( 0.30 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 7.188 15.389 9.074) 19.257 1.797 ( 12.390 11.308 8.336) 18.732 2.405 ( 10.267 8.045 1.587) 13.140 3.536 ( -5.086 7.641 18.844) 20.961 4.449 ( -1.530 -2.295 4.357) 5.157 4.927 ( -7.258 -3.205 -0.010) 7.934 5.312 ( -5.659 -5.323 0.995) 7.832 5.567 ( 5.337 -5.005 2.670) 7.789 6.231 ( 0.961 -3.967 -4.693) 6.219 6.559 ( -4.689 6.588 -5.286) 9.661 6.859 ( -3.595 -0.283 -5.673) 6.722 7.192 ( 4.964 -3.266 -8.870) 10.677 8.443 ( -0.994 -2.485 -5.396) 6.023 8.783 ( 2.947 0.488 -16.038) 16.314 8.972 ( -4.624 0.606 -9.143) 10.264 9.762 ( -0.010 -3.762 8.282) 9.096 10.029 ( 2.145 -2.255 -0.510) 3.154 10.473 ( 2.760 -0.249 3.075) 4.139 10.835 ( 1.215 7.196 6.651) 9.874 10.981 ( 0.929 5.718 5.691) 8.121 11.476 ( -2.466 -5.107 7.252) 9.207 15.349 ( -3.658 4.756 3.538) 6.966 15.548 ( 2.459 4.177 -3.635) 6.059 15.789 ( 0.706 0.423 -2.780) 2.900 15.854 ( 0.370 -1.029 0.608) 1.252 16.077 ( 0.249 -0.333 -0.048) 0.419 16.160 ( 0.220 -5.989 1.184) 6.109 23.372 ( -4.249 -8.725 1.952) 9.899 24.121 ( -5.319 4.899 -0.748) 7.270 25.192 ( 5.694 -6.514 0.133) 8.653 25.376 ( 2.923 -7.055 0.786) 7.677 26.004 ( -2.384 10.232 7.311) 12.799 26.274 ( 2.200 2.624 -3.287) 4.747 35.211 ( -0.045 3.277 -6.738) 7.493 35.566 ( 4.927 1.748 -6.486) 8.330 36.094 ( 0.022 0.214 6.058) 6.062 36.131 ( 0.091 0.932 5.212) 5.295 36.540 ( -4.293 -5.148 2.830) 7.276 38.301 ( -1.543 -0.831 -1.059) 2.048 92.224 ( 0.398 0.046 -1.869) 1.911 93.532 ( 0.591 0.946 0.883) 1.423 93.746 ( 1.165 -1.070 -0.971) 1.856 96.152 ( -1.693 0.853 1.715) 2.556 96.230 ( -0.018 1.357 -3.308) 3.575 96.608 ( -5.600 -7.148 32.967) 34.195 ======================= Grid point 124 (32/188) ======================= q-point: ( 0.40 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 0.266 10.916 7.987) 13.529 2.021 ( 3.368 5.147 8.610) 10.582 2.546 ( 2.517 0.216 -2.497) 3.552 3.528 ( -5.755 10.515 20.950) 24.137 4.477 ( 4.642 1.603 3.632) 6.108 4.762 ( -6.819 -4.983 1.864) 8.649 5.214 ( -1.982 -0.496 -0.266) 2.060 5.590 ( 0.098 -2.478 1.309) 2.804 6.214 ( 5.036 -7.086 -4.123) 9.622 6.536 ( -5.074 6.215 -5.826) 9.915 6.813 ( -2.321 1.818 -2.179) 3.666 7.243 ( 5.443 -5.375 -11.088) 13.470 8.424 ( 0.762 -1.059 -5.767) 5.912 8.833 ( 2.054 0.969 -16.039) 16.199 8.885 ( -5.928 0.434 -7.711) 9.736 9.748 ( 1.942 -2.711 7.037) 7.787 10.039 ( 2.428 -4.011 -2.455) 5.292 10.501 ( 0.873 -0.663 2.931) 3.130 10.937 ( 2.486 6.693 6.855) 9.898 11.029 ( -1.007 4.486 5.382) 7.078 11.389 ( -2.518 -4.223 8.151) 9.519 15.344 ( -2.768 5.428 3.058) 6.817 15.619 ( 1.000 3.592 -3.692) 5.247 15.806 ( 0.592 0.605 -2.401) 2.546 15.835 ( -0.548 -2.158 0.660) 2.322 16.079 ( 0.532 -0.586 0.168) 0.809 16.115 ( 0.930 -4.958 -0.201) 5.048 23.266 ( 0.496 -6.016 1.617) 6.249 24.089 ( -5.207 7.169 -0.731) 8.890 25.232 ( 6.367 -6.594 -1.284) 9.255 25.336 ( 1.800 -9.023 -0.073) 9.202 26.034 ( -5.021 9.449 5.473) 12.018 26.331 ( 1.768 1.207 -0.848) 2.302 35.236 ( -1.148 3.607 -6.522) 7.540 35.648 ( 3.345 -0.720 -5.892) 6.813 36.095 ( -0.176 0.669 6.553) 6.590 36.141 ( 0.068 0.563 5.045) 5.077 36.441 ( -1.700 -3.443 2.844) 4.778 38.278 ( -0.749 0.055 -2.079) 2.210 92.230 ( 0.297 -0.164 -1.979) 2.008 93.547 ( -0.041 1.046 1.170) 1.570 93.748 ( 0.859 -1.878 -0.533) 2.133 96.132 ( -2.018 1.980 3.272) 4.325 96.244 ( 0.225 0.951 -2.719) 2.889 96.508 ( -0.662 -3.492 24.365) 24.623 ======================= Grid point 125 (33/188) ======================= q-point: (-0.50 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -9.789 4.928 8.102) 13.628 1.994 ( -8.909 -0.486 6.974) 11.324 2.535 ( -2.354 -2.455 -1.966) 3.929 3.556 ( -3.926 11.525 21.326) 24.557 4.512 ( -3.440 -3.900 5.609) 7.648 4.726 ( 8.322 2.807 1.328) 8.882 5.233 ( 2.392 2.916 -0.484) 3.803 5.506 ( -5.116 -3.880 -2.738) 6.980 6.275 ( 8.543 -6.451 -0.720) 10.729 6.519 ( -4.326 7.550 -6.907) 11.110 6.816 ( 0.486 1.581 -1.526) 2.251 7.264 ( 3.510 -5.813 -11.611) 13.451 8.442 ( 2.113 -0.661 -5.225) 5.675 8.778 ( -5.868 -0.282 -8.789) 10.571 8.885 ( 1.504 2.900 -16.143) 16.470 9.769 ( 3.335 -2.440 7.969) 8.977 10.032 ( 1.596 -4.276 -2.982) 5.452 10.489 ( -1.179 -1.036 3.864) 4.171 10.991 ( -2.065 1.034 5.110) 5.608 11.081 ( 0.690 6.655 10.516) 12.464 11.313 ( -1.070 -2.933 4.520) 5.493 15.359 ( -2.161 5.956 2.977) 7.000 15.640 ( -1.410 0.784 -1.741) 2.373 15.804 ( -0.557 -1.720 -1.031) 2.081 15.818 ( -0.009 0.640 -1.992) 2.092 16.081 ( 0.247 -0.705 0.686) 1.014 16.101 ( 2.694 -3.690 -1.216) 4.728 23.273 ( 5.727 -3.423 1.825) 6.917 24.088 ( -3.869 8.359 -0.833) 9.249 25.256 ( 6.007 -15.286 -4.256) 16.966 25.284 ( 0.579 -0.184 2.382) 2.458 26.023 ( -6.579 8.286 5.154) 11.768 26.352 ( 0.092 -0.116 -0.517) 0.537 35.240 ( -2.053 2.870 -6.367) 7.280 35.646 ( -1.270 -3.185 -5.898) 6.822 36.099 ( -0.607 0.766 6.568) 6.640 36.148 ( 0.491 0.026 5.440) 5.462 36.434 ( 3.242 -0.347 2.482) 4.098 38.277 ( 0.260 0.661 -2.089) 2.206 92.231 ( 0.044 -0.329 -1.940) 1.968 93.549 ( -0.702 0.594 1.289) 1.584 93.742 ( 0.607 -1.813 -0.746) 2.052 96.128 ( -1.123 2.555 2.452) 3.715 96.254 ( -0.023 0.684 -1.907) 2.026 96.506 ( 3.239 -1.304 24.437) 24.685 ======================= Grid point 126 (34/188) ======================= q-point: (-0.40 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -16.734 1.027 10.111) 19.579 1.741 ( -17.967 -2.357 4.463) 18.662 2.389 ( -11.792 -4.495 2.158) 12.803 3.594 ( -3.751 7.635 20.680) 22.361 4.438 ( 0.759 -1.520 4.416) 4.732 4.955 ( 11.373 4.852 2.732) 12.663 5.333 ( 4.632 3.131 0.668) 5.631 5.402 ( -0.404 -3.599 -4.949) 6.133 6.317 ( 2.132 -4.875 -0.523) 5.347 6.547 ( -1.445 7.191 -7.040) 10.166 6.850 ( 2.377 -0.078 -3.875) 4.547 7.251 ( 1.244 -4.830 -9.387) 10.630 8.480 ( 3.364 -1.258 -3.976) 5.357 8.690 ( -4.372 1.057 -11.795) 12.623 8.946 ( 1.518 3.998 -16.254) 16.807 9.809 ( 4.440 -3.086 10.162) 11.511 10.015 ( 0.579 -2.428 -1.886) 3.129 10.444 ( -2.530 -1.201 5.013) 5.742 10.928 ( -4.677 -1.290 4.667) 6.732 11.065 ( -6.431 -0.156 14.246) 15.631 11.366 ( 6.612 3.169 0.395) 7.343 15.384 ( -1.917 5.881 2.879) 6.823 15.588 ( -2.981 -2.887 0.856) 4.237 15.784 ( -0.887 -0.047 -3.061) 3.187 15.818 ( -0.474 0.376 -1.725) 1.828 16.077 ( 0.132 -0.492 0.128) 0.525 16.133 ( 4.482 -2.361 -0.008) 5.066 23.392 ( 10.977 -1.501 2.596) 11.380 24.119 ( -1.996 7.874 -1.017) 8.187 25.186 ( 2.831 -11.641 -1.203) 12.041 25.308 ( 1.474 -0.560 0.863) 1.798 25.969 ( -8.494 6.643 5.490) 12.100 26.335 ( -1.197 -1.264 -1.440) 2.259 35.223 ( -2.347 1.326 -6.327) 6.877 35.563 ( -4.003 -3.199 -6.596) 8.353 36.089 ( -0.968 0.333 6.068) 6.154 36.150 ( -0.139 -0.496 5.760) 5.783 36.531 ( 6.658 1.539 2.394) 7.241 38.299 ( 1.446 0.966 -1.076) 2.045 92.226 ( -0.208 -0.358 -1.781) 1.828 93.536 ( -0.952 -0.194 1.132) 1.492 93.732 ( -0.090 -1.112 -1.405) 1.794 96.139 ( -0.397 2.065 0.119) 2.107 96.255 ( -0.545 0.251 -1.854) 1.949 96.606 ( 9.134 1.289 33.226) 34.483 ======================= Grid point 127 (35/188) ======================= q-point: (-0.30 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -21.553 -0.662 9.669) 23.631 1.376 ( -21.045 -0.163 7.172) 22.234 2.036 ( -23.037 -5.722 8.003) 25.050 3.560 ( -4.923 1.300 18.991) 19.662 4.535 ( 8.404 4.273 4.611) 10.495 5.163 ( 9.481 -0.357 1.953) 9.687 5.390 ( 3.415 2.744 -2.668) 5.129 5.498 ( 8.720 0.348 0.721) 8.757 6.262 ( -3.973 -2.636 -1.108) 4.895 6.564 ( -3.995 3.122 -8.120) 9.572 6.892 ( 3.024 -0.369 -8.858) 9.367 7.215 ( -0.404 -3.727 -5.938) 7.023 8.529 ( 4.316 -1.759 -4.041) 6.169 8.665 ( -0.958 2.886 -12.885) 13.239 9.008 ( 0.936 3.915 -16.025) 16.523 9.859 ( 5.212 -3.246 12.042) 13.517 10.006 ( -0.121 -0.244 0.772) 0.819 10.393 ( -2.180 -0.357 5.559) 5.982 10.814 ( -6.009 -2.900 4.942) 8.303 10.917 ( -8.748 -1.882 10.612) 13.881 11.541 ( 9.303 3.672 3.676) 10.656 15.400 ( -2.269 3.943 1.860) 4.914 15.499 ( -2.914 -4.021 1.902) 5.317 15.773 ( -0.761 0.932 -2.890) 3.130 15.811 ( -0.606 0.061 -1.571) 1.685 16.076 ( 0.071 -0.145 -0.012) 0.161 16.205 ( 5.796 -0.822 2.606) 6.408 23.608 ( 15.311 -1.122 3.469) 15.739 24.166 ( -0.209 4.908 -1.200) 5.057 25.143 ( 2.587 -5.438 1.695) 6.256 25.319 ( -0.372 1.142 2.496) 2.770 25.864 ( -10.111 4.438 5.681) 12.418 26.289 ( -1.926 -2.595 -3.162) 4.521 35.190 ( -1.952 -0.326 -6.450) 6.747 35.463 ( -4.777 -1.594 -8.054) 9.498 36.078 ( -0.662 0.309 5.459) 5.508 36.134 ( -0.902 -0.672 5.655) 5.766 36.665 ( 6.785 1.318 2.637) 7.398 38.346 ( 3.064 0.937 1.180) 3.414 92.218 ( -0.287 -0.230 -1.465) 1.510 93.516 ( -0.777 -0.697 0.857) 1.350 93.713 ( -1.588 -0.257 -2.504) 2.976 96.151 ( -0.071 1.158 -2.226) 2.510 96.240 ( -1.021 -0.389 -2.344) 2.586 96.876 ( 21.081 3.736 51.392) 55.673 ======================= Grid point 132 (36/188) ======================= q-point: ( 0.20 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 9.589 15.306 9.416) 20.369 1.726 ( 10.508 15.801 7.364) 20.355 2.341 ( 7.435 11.765 3.768) 14.418 3.654 ( 1.220 6.576 20.588) 21.647 4.431 ( -2.011 -5.618 6.066) 8.509 4.993 ( -5.850 -7.422 1.921) 9.643 5.352 ( -4.642 -4.576 -0.924) 6.583 5.422 ( 5.883 -2.446 -1.251) 6.493 6.235 ( -4.029 -1.411 -1.561) 4.546 6.644 ( 1.356 2.199 -5.199) 5.805 6.864 ( 1.249 -2.165 -10.803) 11.088 7.158 ( -3.892 -0.273 -5.832) 7.017 8.453 ( -2.363 -1.625 -5.368) 6.086 8.730 ( 3.750 1.031 -13.785) 14.323 9.005 ( -0.154 -2.544 -14.237) 14.463 9.761 ( -2.861 -1.922 9.000) 9.637 9.993 ( -0.521 -1.634 -1.177) 2.079 10.439 ( 1.971 1.874 5.934) 6.528 10.890 ( 0.796 6.562 5.367) 8.515 11.028 ( 1.070 7.107 9.770) 12.129 11.436 ( -0.689 -7.778 4.083) 8.811 15.454 ( -1.216 3.093 4.428) 5.536 15.525 ( 2.277 3.139 0.008) 3.878 15.783 ( 0.384 0.419 -3.330) 3.379 15.840 ( 1.232 0.219 -1.294) 1.800 16.072 ( -0.153 -0.311 -0.153) 0.379 16.113 ( -1.782 -4.756 0.092) 5.080 23.367 ( -6.223 -9.650 1.951) 11.647 24.222 ( 1.436 3.098 -1.827) 3.873 25.057 ( -1.385 -4.822 -0.646) 5.059 25.319 ( 0.259 -2.092 1.811) 2.779 26.058 ( 5.608 6.248 6.368) 10.538 26.293 ( -1.191 2.768 -2.305) 3.794 35.238 ( 1.594 3.543 -6.524) 7.593 35.525 ( 1.718 2.879 -6.678) 7.472 36.094 ( 0.570 0.689 5.836) 5.905 36.140 ( -0.172 0.686 5.686) 5.730 36.549 ( -3.443 -6.464 2.496) 7.737 38.310 ( -0.846 -1.564 -0.614) 1.881 92.221 ( 0.102 0.245 -1.915) 1.934 93.534 ( 0.700 1.472 0.565) 1.725 93.724 ( 0.211 -0.489 -1.101) 1.223 96.166 ( 0.724 0.253 -0.267) 0.812 96.247 ( -0.459 0.949 -1.795) 2.082 96.622 ( -5.460 -9.639 35.366) 37.060 ======================= Grid point 133 (37/188) ======================= q-point: ( 0.30 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 4.644 13.816 7.466) 16.377 2.004 ( 6.540 9.237 8.802) 14.338 2.489 ( 3.178 0.240 1.466) 3.508 3.724 ( -3.022 10.548 22.236) 24.796 4.396 ( 3.203 -2.087 6.221) 7.301 4.802 ( -6.475 -10.014 4.137) 12.622 5.261 ( -2.990 0.147 -3.504) 4.608 5.537 ( 6.107 2.594 0.571) 6.660 6.120 ( -3.080 -7.485 -2.348) 8.428 6.658 ( -2.627 4.294 -5.723) 7.622 6.871 ( -0.618 0.814 -8.708) 8.768 7.107 ( 1.623 -4.999 -7.900) 9.488 8.418 ( -0.661 -0.424 -7.033) 7.076 8.801 ( 2.910 1.679 -13.865) 14.267 8.956 ( -2.813 -1.882 -10.955) 11.465 9.727 ( -0.428 0.220 4.754) 4.778 9.962 ( 0.688 -4.437 -2.686) 5.232 10.484 ( 1.280 1.070 6.093) 6.317 10.974 ( 1.470 6.732 5.496) 8.814 11.089 ( -0.842 4.962 8.243) 9.658 11.358 ( -0.349 -6.617 6.594) 9.349 15.452 ( -3.016 5.169 4.876) 7.720 15.610 ( 3.505 2.276 -0.974) 4.291 15.793 ( 0.453 -0.587 -2.756) 2.854 15.844 ( -0.787 0.593 -0.870) 1.315 16.046 ( 0.118 -4.769 -2.410) 5.345 16.071 ( 0.130 -0.876 0.727) 1.146 23.213 ( -2.193 -6.777 0.986) 7.191 24.270 ( -3.360 9.639 -2.128) 10.427 25.003 ( 4.450 -11.529 -2.920) 12.698 25.294 ( -0.364 -2.170 2.092) 3.036 26.164 ( -0.336 6.162 5.318) 8.146 26.311 ( 1.073 1.013 -0.604) 1.594 35.300 ( -0.067 5.496 -6.279) 8.345 35.576 ( 2.959 -0.810 -5.902) 6.651 36.107 ( -0.042 1.064 6.211) 6.302 36.145 ( 0.099 0.390 5.515) 5.529 36.435 ( -2.637 -5.128 2.414) 6.251 38.287 ( -0.607 -0.571 -1.612) 1.815 92.225 ( 0.162 0.049 -2.183) 2.190 93.562 ( 0.378 2.065 0.616) 2.188 93.714 ( 0.330 -2.068 -0.381) 2.128 96.176 ( -0.605 1.503 2.184) 2.719 96.247 ( -0.122 0.339 -1.424) 1.469 96.490 ( -2.027 -4.708 25.236) 25.751 ======================= Grid point 134 (38/188) ======================= q-point: ( 0.40 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -5.756 9.568 7.315) 13.349 2.104 ( -2.343 3.150 8.454) 9.321 2.499 ( 2.199 -4.406 0.625) 4.964 3.759 ( -5.593 11.615 23.029) 26.392 4.478 ( 3.837 -2.309 7.544) 8.773 4.622 ( 0.654 -6.669 4.180) 7.898 5.248 ( -0.366 2.453 -4.600) 5.226 5.594 ( -5.129 3.005 -0.531) 5.968 6.061 ( 7.256 -8.140 -0.760) 10.931 6.657 ( -3.380 6.196 -7.718) 10.458 6.851 ( -2.555 1.630 -5.151) 5.977 7.115 ( 5.636 -6.972 -10.516) 13.819 8.416 ( 0.582 -0.118 -7.511) 7.534 8.846 ( -1.220 0.309 -11.898) 11.965 8.895 ( -0.969 0.857 -11.885) 11.955 9.734 ( -0.018 1.171 3.716) 3.896 9.941 ( 2.875 -5.433 -3.686) 7.167 10.499 ( -0.324 0.266 6.444) 6.457 11.047 ( -1.593 4.102 5.101) 6.737 11.123 ( 1.076 4.963 8.560) 9.953 11.288 ( -0.707 -5.744 7.162) 9.208 15.459 ( -2.423 5.563 4.590) 7.608 15.661 ( -0.273 0.714 0.260) 0.807 15.778 ( 0.517 -2.275 -1.231) 2.637 15.846 ( -0.886 2.303 -3.148) 4.000 16.017 ( 2.137 -4.478 -3.038) 5.818 16.068 ( 0.342 -0.654 0.842) 1.119 23.161 ( 2.434 -4.044 0.695) 4.771 24.291 ( -6.935 12.309 -2.132) 14.288 24.980 ( 8.095 -14.755 -4.226) 17.352 25.275 ( 0.060 -0.757 2.434) 2.550 26.182 ( -3.907 5.704 4.169) 8.074 26.336 ( 1.231 -0.728 0.704) 1.594 35.330 ( -3.095 5.530 -6.106) 8.800 35.600 ( 2.260 -3.939 -5.610) 7.218 36.117 ( -0.293 1.297 6.426) 6.562 36.146 ( -0.173 0.003 5.487) 5.490 36.381 ( 1.160 -2.385 2.258) 3.483 38.279 ( -0.046 0.048 -1.926) 1.928 92.227 ( 0.076 -0.109 -2.257) 2.261 93.578 ( -1.077 1.987 0.762) 2.385 93.703 ( 1.237 -2.454 -0.290) 2.764 96.176 ( -1.517 2.265 2.850) 3.944 96.252 ( 0.529 -0.164 -0.808) 0.980 96.450 ( 1.173 -2.243 21.750) 21.897 ======================= Grid point 136 (39/188) ======================= q-point: (-0.50 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -14.379 2.910 9.021) 17.222 1.994 ( -12.224 0.492 6.443) 13.826 2.481 ( -2.196 -1.960 1.653) 3.376 3.751 ( -6.330 5.996 22.665) 24.284 4.400 ( -0.790 -4.866 7.139) 8.676 4.784 ( 12.768 2.357 4.112) 13.620 5.287 ( 2.621 1.007 -4.340) 5.169 5.471 ( -8.299 1.168 -1.676) 8.547 6.162 ( 9.198 -4.573 -0.012) 10.272 6.661 ( -3.029 5.205 -7.173) 9.366 6.837 ( -0.436 1.346 -6.626) 6.776 7.144 ( 4.656 -5.582 -9.138) 11.676 8.430 ( 1.427 -0.673 -6.728) 6.910 8.778 ( -4.566 0.533 -11.341) 12.237 8.943 ( 2.459 2.398 -14.321) 14.727 9.742 ( 0.838 -0.750 5.973) 6.078 9.957 ( 3.321 -2.410 -3.428) 5.347 10.479 ( -1.990 -0.097 6.640) 6.932 11.000 ( -4.881 -0.314 4.805) 6.857 11.148 ( -3.984 -1.271 13.482) 14.116 11.291 ( 5.431 2.360 1.896) 6.218 15.473 ( -1.990 4.385 4.168) 6.369 15.607 ( -3.513 -2.933 1.979) 4.986 15.784 ( 0.535 0.072 -3.208) 3.253 15.846 ( -1.040 1.146 -2.271) 2.748 16.037 ( 3.915 -1.959 -2.630) 5.107 16.070 ( 0.468 -0.348 0.612) 0.845 23.216 ( 7.237 -1.774 1.081) 7.529 24.274 ( -6.608 7.642 -2.099) 10.319 24.992 ( 7.310 -9.097 -3.272) 12.120 25.285 ( 1.305 0.247 2.089) 2.475 26.148 ( -5.935 4.230 4.786) 8.719 26.332 ( -0.288 -1.742 -0.084) 1.768 35.303 ( -4.510 2.564 -6.182) 8.071 35.576 ( -0.819 -2.911 -5.919) 6.647 36.111 ( -1.170 0.278 6.227) 6.342 36.146 ( 0.096 -0.103 5.775) 5.777 36.431 ( 5.612 0.084 2.180) 6.021 38.286 ( 0.771 0.278 -1.618) 1.814 92.226 ( -0.103 -0.144 -2.159) 2.166 93.564 ( -1.925 0.602 0.700) 2.135 93.710 ( 1.406 -0.985 -0.517) 1.793 96.171 ( -1.209 1.566 1.451) 2.454 96.257 ( 0.179 -0.393 -0.859) 0.962 96.488 ( 5.046 -0.437 25.438) 25.937 ======================= Grid point 140 (40/188) ======================= q-point: (-0.10 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -10.501 15.440 9.152) 20.795 0.947 ( -12.006 17.387 10.763) 23.713 1.614 ( -14.016 25.087 16.067) 32.924 3.429 ( 0.940 -0.018 15.030) 15.060 4.658 ( 6.687 -14.273 4.580) 16.414 5.308 ( 6.574 -8.318 1.155) 10.665 5.632 ( 1.858 -5.047 -2.489) 5.926 5.720 ( 0.206 -5.323 8.534) 10.060 6.033 ( -5.913 6.365 -4.525) 9.796 6.390 ( -1.667 11.538 -13.267) 17.661 7.041 ( -1.703 0.896 -11.062) 11.228 7.122 ( 2.169 0.139 -3.493) 4.114 8.636 ( -2.200 -1.395 -14.638) 14.868 8.804 ( 0.030 2.066 -11.088) 11.279 8.846 ( 4.677 -9.422 -0.266) 10.522 9.972 ( 1.488 0.099 4.813) 5.039 10.043 ( -1.916 1.858 5.830) 6.412 10.429 ( -2.686 -0.586 6.490) 7.049 10.628 ( 1.547 6.941 5.566) 9.031 10.725 ( -2.757 5.216 6.626) 8.872 11.759 ( 5.793 -12.236 8.307) 15.884 15.302 ( 1.743 -2.048 2.059) 3.386 15.374 ( 1.434 2.292 -1.167) 2.944 15.750 ( -0.386 -0.825 -3.705) 3.815 15.862 ( -1.365 1.125 1.790) 2.517 16.078 ( -0.120 0.188 0.225) 0.317 16.407 ( 0.907 -3.667 6.386) 7.419 23.884 ( 11.044 -12.425 3.759) 17.043 24.217 ( -0.551 0.080 -1.069) 1.206 25.262 ( 0.182 -1.212 3.955) 4.141 25.364 ( -9.834 -1.563 14.958) 17.969 25.620 ( -1.274 4.693 0.516) 4.891 26.185 ( 3.063 3.092 -7.279) 8.481 35.188 ( -0.021 1.679 -5.952) 6.184 35.346 ( -2.998 4.859 -10.669) 12.101 36.074 ( -0.550 -0.097 4.719) 4.752 36.107 ( 0.000 1.232 5.661) 5.794 36.777 ( 2.420 -4.351 2.873) 5.748 38.421 ( 3.312 -5.859 4.358) 8.018 92.216 ( -0.112 0.276 -0.777) 0.832 93.534 ( -0.064 1.173 2.173) 2.470 93.661 ( -3.238 3.813 -5.146) 7.177 96.157 ( -0.465 -1.376 -4.045) 4.298 96.194 ( 1.252 0.431 -2.626) 2.941 97.465 ( 24.396 -41.964 78.365) 92.181 ======================= Grid point 144 (41/188) ======================= q-point: ( 0.30 0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 2.309 3.754 8.900) 9.931 2.218 ( 5.846 10.011 5.635) 12.890 2.428 ( -3.119 -5.562 3.027) 7.059 3.898 ( 2.736 5.441 24.385) 25.134 4.407 ( 1.687 3.950 6.932) 8.154 4.578 ( -5.352 -10.832 5.844) 13.420 5.270 ( -0.234 0.172 -6.347) 6.354 5.668 ( 6.916 9.310 0.027) 11.598 5.941 ( -7.029 -9.952 -0.140) 12.185 6.732 ( 0.910 2.402 -8.275) 8.664 6.890 ( 3.016 1.867 -8.499) 9.210 7.008 ( -4.184 -4.624 -8.264) 10.353 8.413 ( -0.229 -0.143 -8.415) 8.419 8.849 ( 1.817 2.836 -11.622) 12.100 8.910 ( -1.189 -2.482 -11.612) 11.934 9.763 ( 1.408 2.907 0.908) 3.355 9.868 ( -2.462 -4.537 -2.715) 5.832 10.503 ( 0.401 0.632 7.361) 7.399 11.092 ( 3.110 4.946 4.132) 7.155 11.169 ( -2.646 3.054 10.660) 11.400 11.225 ( 0.247 -6.454 6.306) 9.026 15.522 ( 0.455 1.444 5.734) 5.931 15.664 ( 2.196 3.552 0.755) 4.243 15.753 ( -1.509 -3.024 -0.592) 3.431 15.882 ( 1.098 2.466 -3.962) 4.794 15.960 ( -1.712 -3.466 -4.280) 5.768 16.061 ( -0.156 -0.285 0.895) 0.952 23.120 ( -1.442 -2.460 0.295) 2.866 24.476 ( 5.676 10.152 -3.080) 12.032 24.773 ( -5.891 -10.667 -3.699) 12.735 25.269 ( -0.233 -0.543 2.333) 2.407 26.254 ( 2.185 3.010 3.456) 5.077 26.313 ( -0.962 -0.805 1.452) 1.919 35.411 ( 2.916 5.091 -5.817) 8.262 35.534 ( -1.844 -3.187 -5.616) 6.715 36.131 ( 0.321 1.091 6.169) 6.273 36.146 ( 0.091 -0.243 5.865) 5.871 36.356 ( -1.303 -2.365 1.980) 3.348 38.279 ( -0.110 -0.200 -1.848) 1.862 92.226 ( 0.006 0.017 -2.368) 2.369 93.608 ( 1.278 2.293 0.416) 2.658 93.670 ( -1.222 -2.250 0.018) 2.560 96.207 ( 1.004 1.449 1.960) 2.636 96.242 ( -0.695 -0.783 0.444) 1.137 96.427 ( -0.882 -1.609 21.057) 21.136 ======================= Grid point 149 (42/188) ======================= q-point: (-0.20 0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -13.889 12.488 6.671) 19.834 1.374 ( -17.521 14.742 5.685) 23.593 2.062 ( -13.577 15.594 7.747) 22.080 3.409 ( 0.672 -1.299 12.051) 12.139 4.428 ( 4.989 -11.347 1.770) 12.521 5.094 ( 9.203 -7.430 -0.989) 11.869 5.510 ( 5.905 -3.609 -0.987) 6.990 5.697 ( -2.595 -3.834 10.676) 11.636 6.170 ( -6.057 -0.975 -5.222) 8.057 6.468 ( 2.901 8.212 -10.788) 13.865 7.004 ( 6.787 1.399 -4.167) 8.086 7.160 ( -6.022 -0.144 -6.700) 9.010 8.634 ( 4.864 0.258 -3.823) 6.192 8.715 ( -1.578 -2.876 -16.639) 16.959 8.842 ( -2.618 -2.886 -5.292) 6.572 9.950 ( 1.722 1.637 6.599) 7.014 10.098 ( -0.241 4.950 2.518) 5.558 10.470 ( -2.943 -0.612 5.996) 6.707 10.679 ( 0.012 5.495 5.133) 7.519 10.815 ( -3.213 2.546 5.133) 6.570 11.578 ( 4.099 -7.853 6.966) 11.269 15.260 ( 0.952 -1.849 -0.566) 2.155 15.396 ( -1.658 1.632 -2.112) 3.142 15.755 ( -0.872 -0.689 -4.176) 4.322 15.896 ( -0.746 1.954 2.075) 2.946 16.082 ( -0.042 0.156 0.206) 0.262 16.348 ( 2.812 -1.790 4.971) 5.986 23.599 ( 8.694 -10.175 3.592) 13.857 24.211 ( 3.627 4.304 0.252) 5.634 25.260 ( -1.308 -1.043 4.038) 4.371 25.489 ( -7.923 -5.932 11.537) 15.201 25.712 ( -1.177 8.369 -0.392) 8.461 26.184 ( -0.311 2.104 -7.577) 7.870 35.204 ( 0.589 2.714 -6.432) 7.006 35.450 ( -4.637 2.991 -8.103) 9.803 36.086 ( -0.985 -0.049 4.575) 4.680 36.116 ( 0.389 1.085 6.182) 6.289 36.673 ( 4.108 -4.921 3.026) 7.088 38.331 ( 2.256 -3.188 0.524) 3.940 92.224 ( -0.306 0.620 -1.192) 1.378 93.545 ( 0.259 1.679 1.975) 2.605 93.735 ( -2.253 1.355 -2.964) 3.962 96.144 ( 0.347 -2.423 -0.742) 2.558 96.175 ( 0.495 0.002 -4.400) 4.428 96.888 ( 13.066 -14.688 50.904) 54.568 ======================= Grid point 150 (43/188) ======================= q-point: (-0.10 0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -3.648 19.812 2.744) 20.331 1.307 ( -8.618 18.594 7.428) 21.799 2.066 ( -6.518 19.636 7.899) 22.146 3.425 ( 2.373 -0.761 13.357) 13.587 4.422 ( 6.080 -9.111 0.822) 10.984 5.130 ( 4.914 -10.119 0.866) 11.283 5.524 ( -1.199 -4.419 -1.447) 4.803 5.576 ( -1.981 -8.174 6.183) 10.439 6.150 ( 1.405 4.894 -5.408) 7.428 6.556 ( -1.213 5.130 -8.457) 9.966 7.031 ( -6.299 -2.573 -4.308) 8.054 7.154 ( 6.665 3.510 -5.172) 9.138 8.629 ( -2.686 0.609 -15.050) 15.300 8.668 ( -0.862 -6.784 0.735) 6.878 8.845 ( 3.862 0.648 -12.452) 13.053 9.972 ( 0.315 0.112 3.898) 3.913 10.092 ( -5.366 2.727 5.591) 8.215 10.427 ( -1.517 0.659 4.622) 4.909 10.778 ( 2.558 7.610 5.728) 9.863 10.823 ( 0.503 4.494 8.949) 10.027 11.539 ( 1.893 -10.232 4.538) 11.352 15.266 ( 2.063 -1.701 0.343) 2.696 15.443 ( 2.930 4.303 -2.530) 5.788 15.740 ( -0.129 -0.358 -4.454) 4.471 15.885 ( -2.402 1.252 2.463) 3.661 16.082 ( -0.113 0.235 0.247) 0.359 16.328 ( -1.466 -4.195 4.478) 6.309 23.631 ( 7.762 -12.374 4.326) 15.234 24.205 ( -6.536 -1.164 0.017) 6.639 25.242 ( 1.816 -0.073 4.841) 5.171 25.401 ( -2.775 3.689 6.981) 8.369 25.707 ( -4.212 3.845 -0.222) 5.708 26.244 ( 3.197 2.704 -5.095) 6.595 35.217 ( -1.677 1.298 -5.784) 6.161 35.446 ( -0.382 5.250 -8.544) 10.036 36.074 ( -0.459 0.126 5.129) 5.151 36.134 ( 0.196 1.406 5.855) 6.025 36.670 ( 1.975 -6.315 2.882) 7.218 38.330 ( 1.533 -3.593 0.522) 3.942 92.225 ( -0.316 0.611 -1.123) 1.317 93.553 ( -1.058 0.860 2.448) 2.802 93.720 ( -1.170 2.107 -3.553) 4.293 96.123 ( 0.277 -1.990 -2.145) 2.939 96.202 ( 1.838 0.308 -2.910) 3.455 96.890 ( 6.320 -18.660 50.879) 54.560 ======================= Grid point 160 (44/188) ======================= q-point: (-0.30 0.40 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -11.726 9.546 4.748) 15.849 1.780 ( -14.001 10.689 5.874) 18.569 2.352 ( -8.805 3.872 -0.455) 9.630 3.374 ( 2.290 -0.971 10.905) 11.185 4.294 ( -1.595 -8.320 -0.031) 8.472 4.858 ( 8.468 -9.392 -1.950) 12.795 5.390 ( 5.794 0.524 0.572) 5.846 5.715 ( -1.222 -0.345 10.062) 10.142 6.209 ( -3.977 -7.883 -6.270) 10.829 6.492 ( 3.604 9.273 -7.786) 12.633 6.899 ( 6.261 1.482 -1.220) 6.549 7.266 ( -5.650 -0.029 -7.154) 9.117 8.552 ( 4.330 1.512 -3.100) 5.536 8.741 ( -2.680 -2.641 -14.908) 15.376 8.845 ( -0.721 -1.930 -7.051) 7.346 9.953 ( 1.819 5.066 9.128) 10.597 10.137 ( 1.565 4.992 0.597) 5.266 10.522 ( -3.698 -0.955 1.495) 4.102 10.730 ( -1.010 3.498 5.702) 6.765 10.886 ( -3.236 0.688 4.218) 5.361 11.452 ( 2.705 -6.625 7.156) 10.120 15.231 ( 0.445 -1.635 -2.307) 2.862 15.457 ( -3.581 1.007 -3.161) 4.881 15.761 ( -0.907 -1.375 -3.970) 4.298 15.925 ( 0.136 2.886 2.406) 3.760 16.083 ( -0.065 -0.016 0.241) 0.250 16.279 ( 3.332 -1.346 3.499) 5.016 23.397 ( 4.760 -7.287 3.009) 9.209 24.186 ( 6.247 8.121 1.566) 10.364 25.280 ( -1.434 -0.067 3.615) 3.890 25.526 ( -7.323 -11.756 8.186) 16.089 25.793 ( 2.849 10.273 -1.847) 10.820 26.233 ( -3.297 0.587 -5.039) 6.050 35.221 ( 0.887 3.328 -6.656) 7.494 35.560 ( -5.329 1.475 -6.671) 8.665 36.105 ( -1.220 0.085 4.678) 4.835 36.114 ( 0.978 0.880 6.522) 6.653 36.551 ( 4.305 -4.461 3.296) 7.021 38.276 ( 1.200 -2.148 -2.117) 3.246 92.236 ( -0.258 0.693 -1.310) 1.504 93.558 ( 0.384 1.910 1.869) 2.700 93.767 ( -0.967 -0.095 -0.785) 1.249 96.101 ( 1.498 -2.086 1.248) 2.856 96.179 ( -1.276 -1.067 -5.410) 5.660 96.648 ( 5.749 -4.572 33.619) 34.412 ======================= Grid point 161 (45/188) ======================= q-point: (-0.20 0.40 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -7.724 16.121 1.230) 17.918 1.662 ( -12.823 13.909 4.559) 19.459 2.298 ( -3.936 7.772 1.855) 8.907 3.397 ( 0.202 -0.155 9.342) 9.345 4.241 ( 5.016 -6.780 -0.564) 8.453 4.900 ( 8.535 -12.401 -2.042) 15.192 5.476 ( 3.003 0.977 -1.416) 3.460 5.606 ( -7.503 -4.509 10.921) 13.996 6.143 ( 1.926 -1.919 -6.314) 6.875 6.610 ( 0.559 5.280 -7.340) 9.059 7.049 ( 6.943 2.143 -1.286) 7.379 7.133 ( -6.289 -1.566 -5.033) 8.206 8.608 ( 1.487 -2.438 -1.972) 3.470 8.683 ( -2.418 0.664 -13.965) 14.188 8.819 ( 0.087 -0.747 -8.872) 8.904 9.990 ( -1.018 2.755 5.268) 6.032 10.208 ( -2.657 5.296 1.988) 6.249 10.440 ( -1.060 -1.800 5.026) 5.442 10.806 ( 2.503 6.796 6.003) 9.407 10.856 ( -1.174 1.457 6.045) 6.328 11.414 ( 1.888 -8.506 4.360) 9.743 15.228 ( 0.790 -1.475 -3.359) 3.753 15.452 ( 0.460 3.749 -2.441) 4.497 15.736 ( -0.282 -1.313 -4.259) 4.466 15.939 ( -1.767 2.453 2.635) 4.011 16.084 ( 0.157 0.114 0.416) 0.459 16.291 ( 1.014 -3.675 3.785) 5.372 23.406 ( 5.903 -8.745 3.546) 11.131 24.309 ( -2.888 5.162 1.286) 6.053 25.220 ( -0.809 -2.367 5.921) 6.428 25.402 ( 1.399 -3.073 5.920) 6.815 25.858 ( -5.440 6.155 -1.553) 8.360 26.224 ( 1.461 1.774 -5.217) 5.701 35.262 ( -1.008 2.987 -6.137) 6.899 35.507 ( -2.056 2.774 -7.113) 7.907 36.087 ( -0.980 0.231 5.141) 5.239 36.140 ( 0.704 1.268 6.217) 6.384 36.563 ( 3.087 -5.974 3.144) 7.423 38.275 ( 1.346 -2.425 -2.079) 3.466 92.238 ( -0.359 0.694 -1.142) 1.384 93.578 ( -0.489 1.621 2.343) 2.891 93.748 ( -0.790 0.039 -1.302) 1.524 96.097 ( 0.282 -2.155 -0.584) 2.251 96.171 ( 1.409 -0.351 -4.241) 4.483 96.677 ( 4.220 -7.212 35.524) 36.494 ======================= Grid point 162 (46/188) ======================= q-point: (-0.10 0.40 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -2.982 15.061 2.227) 15.514 1.664 ( -4.062 17.210 4.253) 18.187 2.360 ( 0.287 9.962 0.737) 9.993 3.385 ( 1.473 -3.223 12.725) 13.209 4.323 ( 7.659 -0.663 -0.768) 7.726 4.894 ( 5.750 -13.698 -1.260) 14.910 5.425 ( -6.479 -5.911 7.203) 11.349 5.506 ( -1.298 2.085 -2.568) 3.553 6.214 ( 5.911 1.476 -4.976) 7.866 6.604 ( -4.207 0.255 -5.131) 6.640 6.948 ( -5.660 -5.188 0.498) 7.694 7.244 ( 5.623 4.941 -7.341) 10.485 8.571 ( -1.719 -3.125 -2.008) 4.093 8.656 ( -1.775 1.864 -11.513) 11.798 8.843 ( 2.613 -0.500 -12.631) 12.908 9.981 ( -2.932 0.664 5.342) 6.130 10.134 ( -6.523 1.257 5.171) 8.418 10.460 ( 0.526 2.592 -0.404) 2.676 10.880 ( 1.821 2.139 5.011) 5.744 10.923 ( 3.489 5.316 13.175) 14.629 11.359 ( 1.286 -7.448 1.216) 7.655 15.235 ( 2.045 -1.293 -1.225) 2.712 15.525 ( 2.938 3.505 -3.479) 5.747 15.733 ( 1.056 -0.234 -4.473) 4.602 15.913 ( -3.480 1.492 2.953) 4.801 16.088 ( -0.032 0.362 0.528) 0.641 16.248 ( -1.458 -3.631 2.608) 4.702 23.421 ( 5.299 -8.558 3.697) 10.723 24.179 ( -11.067 -1.282 1.315) 11.219 25.257 ( 2.502 1.380 3.639) 4.626 25.472 ( 5.933 3.032 4.848) 8.239 25.769 ( -7.550 2.441 -1.685) 8.112 26.289 ( 2.903 1.728 -3.221) 4.667 35.238 ( -2.938 0.730 -6.040) 6.757 35.550 ( 1.406 5.136 -6.952) 8.757 36.079 ( -0.346 0.386 5.754) 5.778 36.158 ( 0.059 0.865 5.952) 6.015 36.541 ( 1.445 -6.310 2.886) 7.087 38.274 ( 1.197 -2.097 -2.136) 3.224 92.237 ( -0.425 0.561 -1.218) 1.407 93.567 ( -1.730 0.517 2.357) 2.969 93.749 ( 0.067 1.002 -1.513) 1.816 96.084 ( 0.779 -1.836 -0.474) 2.050 96.205 ( 2.215 -0.011 -3.350) 4.016 96.649 ( 1.072 -7.292 33.451) 34.253 ======================= Grid point 171 (47/188) ======================= q-point: (-0.40 0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -4.630 5.316 3.242) 7.759 2.010 ( -2.975 4.105 7.386) 8.958 2.458 ( -5.087 -4.231 -6.890) 9.552 3.323 ( 2.518 0.412 11.976) 12.244 4.332 ( -9.340 -4.311 -1.117) 10.347 4.636 ( 4.691 -10.835 -2.742) 12.121 5.332 ( 4.521 5.567 2.688) 7.659 5.699 ( 3.903 0.293 5.438) 6.700 6.193 ( -5.386 -9.375 -4.978) 11.903 6.534 ( 2.486 9.439 -5.554) 11.230 6.839 ( 3.211 3.141 0.423) 4.512 7.333 ( -3.029 -2.023 -7.520) 8.356 8.521 ( 2.155 3.034 -2.985) 4.771 8.736 ( -0.153 -3.203 -9.724) 10.239 8.838 ( -0.312 -1.019 -11.672) 11.721 9.978 ( 3.189 7.998 10.376) 13.484 10.146 ( 1.414 2.425 0.530) 2.857 10.552 ( -0.304 -0.922 -4.356) 4.463 10.800 ( -4.718 1.139 8.847) 10.091 10.939 ( -2.291 0.493 4.339) 4.931 11.349 ( 1.835 -6.256 6.905) 9.497 15.215 ( -0.460 -1.530 -2.810) 3.233 15.526 ( -3.315 0.397 -3.903) 5.136 15.755 ( -0.605 -2.556 -3.867) 4.674 15.944 ( 1.604 3.615 2.803) 4.847 16.087 ( -0.484 0.003 0.537) 0.723 16.216 ( 2.340 -0.848 2.128) 3.274 23.296 ( 0.237 -4.399 2.817) 5.229 24.164 ( 7.000 10.738 2.261) 13.016 25.297 ( -0.020 0.372 3.086) 3.108 25.525 ( -7.938 -14.464 6.254) 17.645 25.819 ( 5.592 9.958 -3.298) 11.888 26.288 ( -2.947 -0.986 -2.666) 4.094 35.237 ( 1.274 3.507 -6.631) 7.609 35.641 ( -3.303 -1.268 -6.287) 7.214 36.101 ( 1.121 0.489 6.787) 6.897 36.132 ( -1.333 0.878 4.916) 5.169 36.457 ( 2.081 -2.689 3.484) 4.868 38.247 ( 0.061 -1.405 -3.377) 3.658 92.245 ( 0.030 0.561 -1.285) 1.402 93.568 ( 0.670 1.984 1.925) 2.844 93.772 ( -0.288 -0.855 0.086) 0.906 96.065 ( 0.660 -1.221 0.940) 1.676 96.192 ( -1.655 -1.662 -4.888) 5.422 96.563 ( 1.826 -0.594 26.568) 26.637 ======================= Grid point 172 (48/188) ======================= q-point: (-0.30 0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -5.590 12.387 0.013) 13.590 1.969 ( -9.043 7.921 5.002) 13.021 2.351 ( -0.927 -3.643 -4.108) 5.568 3.403 ( 1.856 3.583 7.352) 8.386 4.161 ( -3.257 -4.396 -1.711) 5.733 4.623 ( 7.817 -14.068 -3.394) 16.448 5.463 ( 3.120 6.680 1.324) 7.491 5.696 ( -4.949 -1.176 9.630) 10.891 6.056 ( 1.323 -7.840 -6.208) 10.087 6.657 ( 0.998 7.173 -6.574) 9.781 6.958 ( 6.561 4.017 -0.470) 7.708 7.214 ( -6.115 -4.897 -4.165) 8.873 8.580 ( 1.387 1.462 -2.403) 3.136 8.712 ( -0.528 0.022 -11.896) 11.907 8.812 ( -0.727 -1.963 -8.955) 9.197 10.061 ( -1.896 5.969 7.224) 9.561 10.243 ( 5.034 5.184 0.853) 7.276 10.460 ( -5.238 -4.923 2.721) 7.686 10.825 ( 2.194 5.604 5.489) 8.145 10.901 ( -2.800 0.806 5.031) 5.814 11.304 ( 1.492 -7.973 4.755) 9.403 15.205 ( 0.441 -1.069 -5.473) 5.594 15.499 ( -1.628 3.173 -2.695) 4.470 15.720 ( -0.176 -2.815 -3.887) 4.802 15.992 ( -0.628 3.777 2.753) 4.716 16.080 ( 0.075 -0.170 0.546) 0.576 16.230 ( 1.733 -3.310 2.993) 4.787 23.265 ( 2.317 -5.593 3.109) 6.805 24.394 ( 3.396 12.478 2.731) 13.217 25.223 ( -5.773 -8.806 6.379) 12.312 25.331 ( 1.543 -4.683 3.781) 6.214 25.971 ( 0.556 7.659 -2.419) 8.051 26.231 ( -1.597 -0.850 -3.893) 4.293 35.305 ( 0.762 4.944 -6.460) 8.171 35.563 ( -3.222 -1.253 -6.455) 7.322 36.112 ( -1.277 0.681 5.554) 5.740 36.135 ( 1.106 1.160 6.249) 6.451 36.460 ( 2.474 -4.538 3.467) 6.223 38.238 ( 0.611 -1.595 -3.714) 4.088 92.249 ( -0.181 0.575 -1.061) 1.220 93.601 ( 0.209 2.469 2.062) 3.224 93.750 ( -0.490 -1.582 0.381) 1.699 96.073 ( 0.846 -0.617 -0.614) 1.214 96.153 ( -0.409 -1.618 -5.080) 5.347 96.582 ( 1.926 -2.222 27.986) 28.140 ======================= Grid point 173 (49/188) ======================= q-point: (-0.20 0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -6.578 11.928 -1.245) 13.678 1.900 ( -6.801 10.065 3.878) 12.751 2.370 ( 4.375 0.047 -2.723) 5.153 3.393 ( -4.289 -0.292 8.023) 9.102 4.191 ( 7.483 1.910 -1.853) 7.943 4.621 ( 8.703 -14.921 -3.573) 17.639 5.528 ( -9.318 -1.539 4.075) 10.286 5.560 ( -0.640 5.196 4.024) 6.603 6.087 ( 7.675 -3.761 -4.349) 9.590 6.681 ( -3.671 2.320 -5.587) 7.076 7.003 ( -5.909 -4.941 0.119) 7.704 7.176 ( 7.077 4.024 -4.598) 9.350 8.582 ( -1.562 -0.329 -2.685) 3.124 8.701 ( -1.777 0.672 -10.394) 10.566 8.804 ( 1.751 -0.483 -10.428) 10.585 10.061 ( -3.775 4.286 4.980) 7.578 10.255 ( -7.099 -1.506 5.105) 8.873 10.437 ( 5.142 2.074 -0.872) 5.613 10.868 ( -0.875 -0.260 7.038) 7.097 10.927 ( 2.447 4.813 8.510) 10.079 11.261 ( 2.398 -6.176 1.581) 6.811 15.204 ( 0.683 -0.909 -5.023) 5.150 15.526 ( 0.514 3.195 -2.990) 4.406 15.705 ( 1.332 -1.611 -4.030) 4.539 15.989 ( -3.179 2.351 2.812) 4.852 16.088 ( 0.445 0.282 0.894) 1.037 16.217 ( 0.881 -3.384 2.630) 4.375 23.269 ( 4.219 -4.915 3.237) 7.241 24.397 ( -12.573 3.330 2.770) 13.298 25.193 ( 7.696 -0.074 5.388) 9.395 25.347 ( 4.691 -2.712 4.248) 6.885 25.953 ( -8.293 3.463 -2.913) 9.448 26.250 ( 3.058 0.722 -3.303) 4.559 35.312 ( -4.137 1.805 -6.234) 7.697 35.556 ( 2.248 2.087 -6.573) 7.253 36.097 ( -1.191 0.722 5.860) 6.023 36.160 ( 0.530 0.554 6.174) 6.222 36.454 ( 2.159 -4.579 3.252) 6.017 38.238 ( 1.032 -1.322 -3.722) 4.082 92.250 ( -0.371 0.441 -1.034) 1.184 93.606 ( -1.909 1.070 2.290) 3.167 93.743 ( 1.022 -0.352 0.071) 1.083 96.066 ( -0.436 -0.971 -1.234) 1.630 96.162 ( 2.347 -0.555 -4.292) 4.923 96.583 ( 1.008 -2.778 27.880) 28.036 ======================= Grid point 174 (50/188) ======================= q-point: (-0.10 0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -3.104 5.221 2.627) 6.618 1.947 ( -1.541 10.166 4.892) 11.387 2.468 ( 5.154 1.656 -5.236) 7.531 3.323 ( -0.579 -2.141 12.753) 12.944 4.376 ( 8.395 4.190 -0.624) 9.403 4.629 ( 7.445 -10.949 -3.348) 13.657 5.344 ( -8.156 -2.300 4.903) 9.790 5.596 ( -2.508 6.105 0.502) 6.619 6.212 ( 9.422 -1.245 -4.038) 10.326 6.583 ( -7.611 -2.096 -4.494) 9.084 6.858 ( -4.703 -3.191 1.379) 5.849 7.323 ( 4.259 2.547 -7.784) 9.232 8.531 ( -3.161 -1.239 -2.466) 4.196 8.697 ( 0.626 2.172 -8.871) 9.154 8.836 ( 1.597 -0.101 -13.462) 13.557 9.991 ( -7.548 0.072 8.430) 11.316 10.145 ( -3.514 0.118 2.885) 4.548 10.518 ( 0.559 2.828 -4.471) 5.320 10.881 ( 3.927 -2.305 8.855) 9.957 10.971 ( 0.302 -0.575 8.523) 8.548 11.285 ( 3.399 0.599 2.957) 4.545 15.217 ( 1.889 -0.565 -2.379) 3.090 15.561 ( 1.769 -0.131 -3.975) 4.353 15.737 ( 2.568 0.745 -4.138) 4.927 15.938 ( -4.270 0.938 3.054) 5.333 16.094 ( 0.059 -0.001 0.950) 0.952 16.198 ( -0.652 -0.971 1.466) 1.875 23.304 ( 4.042 -3.236 3.059) 6.014 24.161 ( -13.140 -0.422 2.142) 13.320 25.286 ( 0.795 1.218 3.010) 3.343 25.512 ( 13.632 1.127 5.135) 14.610 25.806 ( -10.411 1.341 -3.095) 10.943 26.308 ( 2.675 0.070 -2.213) 3.472 35.244 ( -3.607 -0.031 -6.397) 7.344 35.634 ( 2.750 2.771 -6.339) 7.445 36.088 ( -0.530 0.579 6.410) 6.458 36.160 ( -0.316 -0.834 5.650) 5.720 36.447 ( 1.171 -2.445 3.145) 4.152 38.247 ( 1.165 -0.692 -3.388) 3.649 92.245 ( -0.485 0.204 -1.243) 1.349 93.573 ( -2.076 0.024 2.125) 2.970 93.764 ( 0.777 0.584 -0.237) 1.001 96.059 ( 0.741 -0.545 0.342) 0.981 96.201 ( 2.399 -0.340 -4.046) 4.717 96.564 ( -0.423 -1.919 26.414) 26.487 ======================= Grid point 181 (51/188) ======================= q-point: (-0.40 0.60 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 2.818 8.094 -1.041) 8.633 2.057 ( 4.820 0.454 5.621) 7.418 2.338 ( -5.852 -6.975 -6.638) 11.268 3.395 ( 4.107 5.948 7.461) 10.388 4.245 ( -6.218 -5.037 -1.951) 8.236 4.419 ( -3.419 -9.208 -4.475) 10.794 5.489 ( 3.552 9.652 4.529) 11.238 5.688 ( 5.125 -1.384 3.623) 6.427 6.017 ( -7.118 -8.292 -3.484) 11.471 6.699 ( 2.933 6.706 -6.054) 9.499 6.929 ( 1.771 5.868 0.427) 6.144 7.232 ( -3.079 -7.575 -4.264) 9.222 8.580 ( 1.383 2.683 -2.219) 3.746 8.709 ( 0.710 0.417 -9.687) 9.722 8.805 ( -0.930 -2.316 -10.819) 11.104 10.135 ( 4.565 6.776 8.480) 11.775 10.196 ( 0.955 3.600 1.915) 4.188 10.479 ( -2.550 -6.227 -1.891) 6.989 10.849 ( 0.382 3.463 7.555) 8.319 10.957 ( -1.844 0.710 6.582) 6.872 11.220 ( -0.828 -6.034 2.754) 6.684 15.195 ( -0.294 -0.584 -5.821) 5.858 15.549 ( -0.442 1.769 -3.162) 3.649 15.694 ( -0.935 -3.317 -3.730) 5.078 16.018 ( 2.303 3.546 2.777) 5.059 16.087 ( -0.711 0.048 1.047) 1.267 16.185 ( -0.371 -2.094 2.261) 3.104 23.219 ( -1.876 -2.973 3.037) 4.645 24.430 ( 8.610 15.112 3.481) 17.738 25.215 ( -7.033 -15.685 5.338) 18.000 25.302 ( -1.666 -0.312 3.688) 4.058 25.995 ( 5.160 7.579 -3.314) 9.749 26.250 ( -2.364 -2.800 -2.699) 4.552 35.327 ( 2.707 5.247 -6.470) 8.759 35.582 ( -2.117 -4.268 -6.384) 7.966 36.114 ( 1.485 0.786 6.455) 6.670 36.152 ( -1.153 0.786 5.728) 5.896 36.408 ( -0.735 -1.972 3.477) 4.064 38.225 ( -0.471 -0.845 -4.270) 4.379 92.254 ( 0.181 0.338 -0.999) 1.070 93.615 ( 1.274 2.598 2.031) 3.535 93.741 ( -0.867 -2.059 0.800) 2.373 96.059 ( 0.690 0.630 -1.433) 1.710 96.152 ( -1.662 -2.206 -4.669) 5.425 96.556 ( -0.120 -0.164 25.857) 25.858 ======================= Grid point 183 (52/188) ======================= q-point: (-0.30 0.60 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -3.739 11.457 -3.049) 12.431 2.069 ( -5.941 1.802 4.024) 7.399 2.233 ( 6.051 -7.366 -4.781) 10.664 3.482 ( -2.210 3.193 5.600) 6.815 4.151 ( -0.890 3.765 -3.125) 4.973 4.342 ( 6.610 -12.731 -4.216) 14.951 5.616 ( 0.650 5.657 8.006) 9.825 5.689 ( -7.702 2.581 1.103) 8.198 5.897 ( 6.513 -8.001 -3.756) 10.979 6.770 ( -2.084 3.828 -6.707) 7.999 7.027 ( 1.194 1.807 -0.612) 2.251 7.108 ( 0.244 -3.963 -1.932) 4.416 8.610 ( -0.683 1.207 -1.982) 2.419 8.728 ( -0.479 1.055 -10.374) 10.439 8.769 ( 0.767 -1.896 -9.653) 9.867 10.190 ( -4.414 6.991 4.925) 9.624 10.317 ( 2.828 0.222 3.036) 4.155 10.344 ( 0.130 -4.876 2.245) 5.369 10.914 ( -2.597 0.924 7.483) 7.974 10.929 ( 1.463 3.388 6.554) 7.521 11.163 ( 1.886 -5.129 0.580) 5.496 15.189 ( 0.215 -0.410 -7.130) 7.145 15.570 ( -1.358 3.528 -2.873) 4.749 15.655 ( 1.409 -3.381 -3.452) 5.033 16.066 ( -2.557 2.851 2.366) 4.501 16.081 ( 0.798 0.812 1.253) 1.693 16.158 ( 1.626 -3.592 2.648) 4.749 23.188 ( 1.216 -2.038 3.084) 3.891 24.651 ( -6.856 12.199 3.986) 14.550 24.991 ( 6.323 -11.750 5.385) 14.389 25.298 ( 0.468 -0.513 3.528) 3.596 26.094 ( -3.177 4.662 -2.856) 6.323 26.198 ( 1.830 -2.358 -3.090) 4.296 35.404 ( -2.379 4.488 -6.411) 8.179 35.515 ( 1.590 -3.138 -6.452) 7.349 36.130 ( -1.304 0.989 6.128) 6.343 36.151 ( 0.835 0.148 6.249) 6.307 36.389 ( 1.101 -2.148 3.441) 4.203 38.216 ( 0.334 -0.586 -4.590) 4.640 92.257 ( -0.122 0.218 -0.896) 0.931 93.651 ( -1.193 2.327 1.917) 3.243 93.711 ( 1.015 -2.063 1.231) 2.608 96.077 ( -0.722 0.854 -2.729) 2.949 96.119 ( 1.190 -1.638 -4.308) 4.760 96.555 ( 0.383 -0.650 25.821) 25.832 ======================= Grid point 218 (53/188) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 0.000 -0.000 24.034) 24.034 0.973 ( 0.000 0.000 24.034) 24.034 1.579 ( 0.000 -0.000 35.470) 35.470 3.863 ( 0.000 0.000 22.236) 22.236 5.303 ( 0.000 -0.000 -1.622) 1.622 5.560 ( 0.000 0.000 -3.242) 3.242 5.560 ( 0.000 -0.000 -3.242) 3.242 5.822 ( 0.000 -0.000 4.549) 4.549 5.822 ( 0.000 -0.000 4.549) 4.549 6.133 ( -0.000 0.000 20.167) 20.167 6.776 ( 0.000 0.000 -19.384) 19.384 6.776 ( 0.000 -0.000 -19.384) 19.384 8.422 ( 0.000 0.000 -12.190) 12.190 8.422 ( 0.000 0.000 -12.190) 12.190 8.998 ( 0.000 -0.000 -9.202) 9.202 10.132 ( 0.000 0.000 5.007) 5.007 10.132 ( 0.000 0.000 5.007) 5.007 10.494 ( 0.000 -0.000 3.084) 3.084 10.759 ( 0.000 -0.000 12.384) 12.384 10.759 ( 0.000 0.000 12.384) 12.384 11.925 ( -0.000 -0.000 -21.091) 21.091 15.359 ( 0.000 0.000 0.066) 0.066 15.359 ( 0.000 0.000 0.066) 0.066 15.821 ( 0.000 -0.000 0.012) 0.012 15.821 ( 0.000 0.000 0.012) 0.012 16.083 ( 0.000 -0.000 0.582) 0.582 16.603 ( 0.000 0.000 1.013) 1.013 24.211 ( 0.000 0.000 -0.402) 0.402 24.211 ( 0.000 0.000 -0.402) 0.402 25.375 ( 0.000 0.000 5.174) 5.174 25.566 ( 0.000 0.000 1.155) 1.155 25.566 ( 0.000 0.000 1.155) 1.155 26.018 ( 0.000 0.000 -6.930) 6.930 34.998 ( 0.000 0.000 -8.168) 8.168 34.998 ( 0.000 0.000 -8.168) 8.168 36.199 ( -0.000 -0.000 6.177) 6.177 36.199 ( 0.000 -0.000 6.177) 6.177 36.951 ( 0.000 0.000 5.251) 5.251 38.619 ( -0.000 -0.000 -6.277) 6.277 92.219 ( 0.000 0.000 -0.103) 0.103 93.552 ( 0.000 0.000 3.016) 3.016 93.552 ( 0.000 -0.000 3.016) 3.016 96.060 ( -0.000 0.000 -7.458) 7.458 96.060 ( 0.000 -0.000 -7.458) 7.458 99.990 ( 0.000 0.000 0.015) 0.015 ======================= Grid point 219 (54/188) ======================= q-point: ( 0.10 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 8.369 4.229 20.975) 22.976 1.131 ( 7.125 8.976 22.354) 25.121 1.743 ( 13.564 6.348 29.343) 32.944 3.861 ( -1.061 0.994 21.961) 22.009 5.062 ( -16.452 -5.218 1.976) 17.372 5.422 ( -7.851 -8.106 -1.396) 11.371 5.585 ( -0.850 -2.130 -2.667) 3.517 5.846 ( 3.552 1.389 3.500) 5.176 5.977 ( 7.274 3.891 0.586) 8.271 6.190 ( 3.128 5.939 14.766) 16.220 6.673 ( -1.842 -3.411 -21.220) 21.572 6.903 ( 4.893 2.516 -15.116) 16.086 8.361 ( -1.546 -0.576 -13.262) 13.364 8.484 ( 2.002 -0.068 -10.818) 11.002 8.931 ( -5.338 -2.384 -8.200) 10.071 10.092 ( -1.491 -0.712 4.277) 4.585 10.160 ( 0.478 0.068 6.339) 6.358 10.506 ( 1.252 0.038 3.565) 3.779 10.744 ( 0.470 1.002 10.690) 10.747 10.833 ( 3.587 2.215 10.834) 11.625 11.852 ( -5.176 -3.400 -15.694) 16.872 15.335 ( -0.675 0.457 -0.246) 0.851 15.397 ( 0.822 1.211 1.105) 1.834 15.761 ( -4.550 0.186 -0.423) 4.573 15.846 ( 2.070 -1.382 0.196) 2.496 16.083 ( 0.012 -0.079 0.495) 0.501 16.546 ( -3.654 -3.555 2.116) 5.520 24.092 ( -8.702 -6.490 0.511) 10.868 24.206 ( -1.339 0.020 -0.178) 1.351 25.357 ( -0.948 -1.229 5.011) 5.246 25.546 ( 2.486 -4.205 1.713) 5.176 25.663 ( 5.698 7.571 3.584) 10.131 26.003 ( -2.712 0.784 -6.892) 7.448 34.991 ( 0.558 -1.053 -8.378) 8.462 35.066 ( 4.292 3.675 -9.040) 10.660 36.193 ( 0.034 0.124 6.197) 6.198 36.217 ( 1.030 0.535 6.330) 6.436 36.920 ( -2.631 -1.567 5.244) 6.073 38.545 ( -5.771 -3.138 -4.147) 7.768 92.212 ( -0.487 -0.362 -0.080) 0.612 93.544 ( 0.854 -1.312 2.673) 3.098 93.600 ( 2.515 2.867 2.451) 4.533 96.041 ( -0.667 0.074 -7.748) 7.777 96.091 ( 1.420 0.856 -6.636) 6.840 99.430 ( -41.911 -24.195 22.581) 53.403 ======================= Grid point 220 (55/188) ======================= q-point: ( 0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 16.073 11.386 13.254) 23.742 1.378 ( 9.199 11.956 18.845) 24.139 2.080 ( 15.476 7.623 19.214) 25.822 3.846 ( -3.172 3.467 21.142) 21.657 4.746 ( -15.010 -2.963 2.257) 15.465 5.192 ( -9.643 -6.788 -0.351) 11.798 5.516 ( -4.377 -2.883 -3.895) 6.530 5.877 ( 3.505 -5.499 8.333) 10.581 6.104 ( 4.725 -0.106 -4.393) 6.452 6.288 ( -3.530 11.496 5.477) 13.215 6.672 ( 6.016 -4.149 -18.639) 20.021 6.979 ( 2.786 0.235 -10.807) 11.163 8.363 ( 1.522 0.782 -14.261) 14.363 8.480 ( -0.506 -3.314 -7.857) 8.542 8.811 ( -5.684 -1.094 -8.932) 10.643 10.072 ( -0.156 -0.543 5.536) 5.565 10.149 ( -0.496 -1.758 6.784) 7.026 10.531 ( 1.692 -0.314 4.038) 4.389 10.778 ( 0.960 2.503 7.270) 7.748 10.911 ( 2.668 2.655 6.996) 7.944 11.734 ( -3.953 -2.986 -5.715) 7.563 15.345 ( -0.151 2.558 -0.521) 2.615 15.395 ( -2.498 1.433 3.288) 4.371 15.700 ( -2.430 0.888 -2.725) 3.757 15.871 ( 2.438 -1.528 0.087) 2.878 16.082 ( 0.089 -0.239 0.299) 0.393 16.438 ( -3.376 -5.373 2.298) 6.749 23.837 ( -11.324 -7.772 2.646) 13.987 24.169 ( -1.705 -1.960 0.327) 2.619 25.334 ( 0.650 -2.507 4.614) 5.291 25.563 ( 5.130 -6.743 1.338) 8.578 25.859 ( 2.658 11.333 7.878) 14.056 25.971 ( -0.321 3.166 -8.877) 9.430 34.996 ( 0.997 -0.583 -8.541) 8.618 35.196 ( 5.954 4.227 -9.396) 11.900 36.201 ( 0.454 0.580 6.222) 6.266 36.241 ( 1.019 0.412 6.803) 6.891 36.835 ( -4.647 -2.890 5.218) 7.561 38.403 ( -6.458 -3.052 -2.689) 7.633 92.201 ( -0.172 -0.415 -0.317) 0.550 93.552 ( 1.457 -1.141 2.621) 3.209 93.678 ( 3.047 2.602 1.334) 4.223 96.040 ( -0.164 1.182 -7.926) 8.015 96.120 ( 0.732 1.002 -4.995) 5.146 98.444 ( -39.635 -23.180 43.340) 63.140 ======================= Grid point 221 (56/188) ======================= q-point: ( 0.30 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 8.343 12.994 14.993) 21.523 1.729 ( 17.457 11.852 8.472) 22.738 2.357 ( 7.803 5.813 9.965) 13.927 3.824 ( -4.747 6.038 20.906) 22.272 4.514 ( -10.124 0.588 1.374) 10.234 4.973 ( -9.591 -4.004 -0.989) 10.440 5.391 ( -6.185 -3.115 -3.705) 7.854 5.873 ( 2.620 -6.662 9.999) 12.297 6.127 ( 2.205 -5.481 -10.040) 11.649 6.319 ( -4.950 11.009 0.748) 12.094 6.739 ( 4.995 -3.896 -10.860) 12.573 7.030 ( 4.303 -1.274 -9.319) 10.343 8.413 ( 2.959 -1.210 -12.814) 13.207 8.417 ( -1.421 -2.752 -6.802) 7.474 8.727 ( -4.140 0.477 -11.432) 12.167 10.069 ( 1.081 -2.518 9.001) 9.409 10.123 ( 0.685 -2.702 4.571) 5.354 10.552 ( 0.785 0.024 3.660) 3.743 10.820 ( 0.803 3.469 3.318) 4.867 10.979 ( 1.870 3.452 4.534) 5.997 11.664 ( -2.163 -1.349 2.014) 3.249 15.334 ( -4.893 3.538 3.522) 6.990 15.399 ( 1.161 2.988 -1.503) 3.541 15.694 ( -0.043 1.173 -4.033) 4.200 15.896 ( 2.208 -1.675 0.036) 2.772 16.082 ( 0.259 -0.274 0.168) 0.413 16.330 ( -2.800 -5.732 1.198) 6.491 23.591 ( -8.798 -6.256 3.376) 11.311 24.116 ( -1.173 -3.486 1.016) 3.816 25.331 ( 2.145 -3.222 3.861) 5.467 25.572 ( 5.303 -9.850 0.340) 11.191 25.889 ( -7.037 11.237 0.923) 13.291 26.121 ( 6.732 6.331 -0.725) 9.270 35.012 ( 1.058 0.099 -8.591) 8.656 35.344 ( 6.453 4.037 -8.450) 11.373 36.217 ( 0.558 0.812 6.241) 6.318 36.257 ( 0.545 0.043 7.420) 7.440 36.714 ( -5.377 -3.607 5.194) 8.301 38.280 ( -5.021 -1.656 -3.699) 6.453 92.199 ( 0.358 -0.414 -0.747) 0.926 93.569 ( 1.522 -0.693 2.826) 3.284 93.743 ( 2.177 1.151 1.002) 2.659 96.058 ( 0.174 2.268 -7.944) 8.263 96.132 ( -0.602 1.234 -2.957) 3.260 97.712 ( -23.841 -15.004 43.636) 51.939 ======================= Grid point 222 (57/188) ======================= q-point: ( 0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 4.392 10.008 11.942) 16.188 2.101 ( 12.647 9.010 8.942) 17.918 2.437 ( -3.001 3.001 1.168) 4.402 3.807 ( -5.282 8.120 22.150) 24.175 4.433 ( -2.301 5.264 0.324) 5.754 4.784 ( -10.245 -0.288 -1.844) 10.413 5.273 ( -2.681 -3.996 -2.655) 5.496 5.802 ( -3.900 -6.501 4.437) 8.784 6.137 ( 5.655 -4.134 -7.073) 9.954 6.334 ( -3.057 5.834 -2.624) 7.091 6.766 ( 2.655 -2.807 -4.207) 5.712 7.091 ( 4.684 -3.189 -10.024) 11.515 8.363 ( 0.544 -3.892 -4.939) 6.311 8.467 ( 2.667 0.021 -14.470) 14.713 8.664 ( -4.193 0.505 -11.405) 12.162 10.052 ( 1.777 -5.140 9.833) 11.237 10.127 ( 2.441 -2.955 3.255) 5.029 10.558 ( -0.658 1.209 3.168) 3.454 10.887 ( 2.514 4.940 0.628) 5.578 11.038 ( 0.818 3.355 4.041) 5.316 11.613 ( -3.073 -0.897 6.204) 6.981 15.292 ( -4.376 4.705 2.327) 6.834 15.457 ( 1.457 3.658 -2.399) 4.611 15.707 ( -0.186 1.356 -3.963) 4.193 15.909 ( 1.890 -2.692 0.215) 3.297 16.088 ( 0.648 -0.000 0.182) 0.673 16.234 ( -2.107 -5.121 -0.037) 5.538 23.428 ( -4.250 -3.812 3.160) 6.525 24.068 ( -0.016 -3.998 1.549) 4.287 25.340 ( 2.448 -3.025 3.097) 4.974 25.549 ( 4.518 -11.650 -0.374) 12.501 25.892 ( -6.421 12.431 0.869) 14.018 26.259 ( 3.041 4.272 0.125) 5.246 35.031 ( 0.795 0.474 -8.590) 8.639 35.481 ( 4.788 3.079 -7.357) 9.302 36.234 ( 0.666 0.535 6.371) 6.428 36.260 ( -0.081 -0.083 7.677) 7.678 36.596 ( -3.977 -3.136 5.289) 7.323 38.202 ( -3.083 -0.091 -5.083) 5.946 92.203 ( 0.598 -0.528 -1.044) 1.314 93.588 ( 1.229 -0.419 3.154) 3.411 93.774 ( 0.923 -0.213 1.092) 1.445 96.087 ( 0.034 2.821 -7.874) 8.364 96.125 ( -1.707 1.763 -1.121) 2.698 97.316 ( -9.910 -8.222 38.406) 40.507 ======================= Grid point 223 (58/188) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -3.798 4.807 9.889) 11.633 2.221 ( -7.283 -1.328 12.035) 14.129 2.430 ( 1.834 5.980 -3.526) 7.180 3.812 ( -4.247 10.080 22.870) 25.351 4.523 ( 0.987 7.685 0.388) 7.758 4.634 ( -5.575 4.172 -2.586) 7.428 5.239 ( 3.004 -3.178 -2.220) 4.904 5.638 ( -5.945 -7.596 0.917) 9.689 6.214 ( 2.482 2.245 -5.066) 6.072 6.342 ( 1.965 -0.776 -3.871) 4.410 6.790 ( 3.115 -1.898 -1.719) 4.033 7.112 ( 2.326 -4.723 -10.682) 11.909 8.360 ( 2.775 -2.552 -5.633) 6.778 8.500 ( 1.124 -1.124 -15.793) 15.872 8.594 ( -3.900 0.537 -8.235) 9.127 10.038 ( 2.148 -4.421 7.509) 8.975 10.135 ( 2.867 -4.720 3.902) 6.762 10.555 ( -1.744 2.315 3.562) 4.592 11.008 ( 4.554 6.953 -0.731) 8.343 11.068 ( 0.193 1.217 4.388) 4.558 11.528 ( -5.673 -1.584 7.721) 9.711 15.282 ( -2.918 5.853 1.358) 6.679 15.511 ( 0.533 3.200 -2.537) 4.118 15.706 ( -1.744 1.518 -3.801) 4.449 15.909 ( 1.940 -3.900 0.725) 4.416 16.105 ( 0.901 0.275 0.537) 1.085 16.165 ( -0.176 -3.926 -1.158) 4.097 23.378 ( 1.247 -0.863 2.857) 3.235 24.042 ( 1.380 -3.431 1.663) 4.055 25.352 ( 1.713 -1.812 2.957) 3.868 25.502 ( 4.182 -12.724 -0.247) 13.396 25.906 ( -6.213 11.767 1.882) 13.439 26.309 ( -0.583 1.951 -0.914) 2.232 35.046 ( 0.407 0.315 -8.558) 8.574 35.540 ( -0.518 0.387 -6.871) 6.901 36.248 ( -0.018 -0.044 7.995) 7.995 36.264 ( 1.073 0.485 6.067) 6.180 36.534 ( -0.357 -1.144 5.377) 5.509 38.175 ( -0.825 1.380 -5.615) 5.840 92.207 ( 0.501 -0.685 -1.115) 1.401 93.601 ( 0.752 -0.595 3.428) 3.560 93.773 ( -0.198 -0.984 1.071) 1.468 96.097 ( -2.027 2.231 -4.063) 5.059 96.127 ( -0.444 2.672 -4.134) 4.943 97.193 ( 1.292 -2.377 35.929) 36.031 ======================= Grid point 225 (59/188) ======================= q-point: (-0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -13.348 -0.579 7.886) 15.514 1.982 ( -14.277 -3.838 10.335) 18.038 2.488 ( -1.778 1.426 4.416) 4.970 3.865 ( -2.391 11.296 22.646) 25.419 4.458 ( -6.709 3.822 -0.512) 7.738 4.823 ( 10.272 10.902 -0.795) 15.000 5.303 ( 5.417 -0.173 -4.107) 6.800 5.493 ( -0.638 -7.304 3.450) 8.103 6.219 ( -5.155 4.474 -6.462) 9.399 6.396 ( 5.390 -3.709 -4.116) 7.730 6.827 ( 3.262 -3.037 -2.525) 5.123 7.090 ( 0.727 -3.668 -10.621) 11.260 8.403 ( 4.057 -1.077 -6.151) 7.447 8.445 ( -3.893 -2.740 -13.928) 14.719 8.587 ( 1.096 1.599 -8.438) 8.657 10.037 ( 1.424 -2.237 4.628) 5.334 10.135 ( 2.986 -5.142 5.325) 7.982 10.545 ( -1.976 2.068 4.639) 5.450 11.046 ( -3.301 1.552 5.348) 6.473 11.191 ( 8.443 5.161 -0.969) 9.943 11.387 ( -8.007 -2.862 6.738) 10.849 15.305 ( -1.551 6.207 1.261) 6.521 15.529 ( -1.769 2.231 -2.193) 3.594 15.683 ( -2.369 1.580 -3.726) 4.689 15.899 ( 1.626 -4.344 1.293) 4.815 16.099 ( -0.652 -0.968 0.316) 1.209 16.182 ( 4.703 -1.260 -0.753) 4.927 23.455 ( 6.887 2.279 2.730) 7.751 24.048 ( 2.543 -2.067 1.334) 3.538 25.361 ( 0.368 -0.082 3.882) 3.901 25.446 ( 4.628 -13.446 0.651) 14.236 25.901 ( -7.109 9.764 2.845) 12.408 26.286 ( -3.205 0.515 -2.857) 4.325 35.050 ( 0.079 -0.243 -8.477) 8.481 35.473 ( -5.489 -2.418 -7.396) 9.522 36.237 ( -1.028 0.032 7.882) 7.949 36.287 ( 0.676 -0.312 6.239) 6.283 36.574 ( 4.514 1.826 5.054) 7.018 38.201 ( 1.599 2.610 -4.992) 5.856 92.206 ( 0.263 -0.726 -0.982) 1.250 93.601 ( 0.351 -1.251 3.464) 3.699 93.750 ( -1.236 -1.124 0.865) 1.881 96.080 ( -2.210 1.993 -3.343) 4.476 96.143 ( -0.616 1.926 -5.698) 6.046 97.314 ( 12.051 4.447 38.310) 40.406 ======================= Grid point 226 (60/188) ======================= q-point: (-0.30 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -18.235 -3.902 8.162) 20.356 1.697 ( -14.724 -4.028 15.079) 21.457 2.373 ( -9.547 -5.042 10.887) 15.333 3.916 ( -4.047 8.403 21.848) 23.756 4.474 ( 3.229 7.322 1.400) 8.124 5.102 ( 9.945 9.311 0.219) 13.625 5.356 ( 2.453 -1.076 -5.543) 6.156 5.549 ( 11.113 -1.422 6.350) 12.878 6.150 ( -7.260 3.482 -6.592) 10.406 6.412 ( 0.371 -3.655 -4.946) 6.161 6.814 ( 0.369 -5.960 -7.120) 9.292 7.077 ( 0.105 -1.463 -8.651) 8.775 8.339 ( -3.833 -2.173 -13.170) 13.887 8.499 ( 6.622 -0.760 -5.768) 8.814 8.630 ( 1.420 3.235 -9.528) 10.162 10.041 ( 0.763 -0.534 2.704) 2.860 10.140 ( 2.562 -3.245 6.742) 7.909 10.530 ( -1.278 0.708 5.742) 5.925 10.978 ( -4.926 -1.133 6.696) 8.389 11.194 ( -9.809 -2.817 9.307) 13.812 11.411 ( 10.221 4.703 -6.003) 12.752 15.340 ( -1.051 4.705 1.041) 4.932 15.498 ( -3.775 1.850 -0.843) 4.288 15.668 ( -1.115 1.977 -3.374) 4.067 15.880 ( 1.127 -4.070 1.315) 4.423 16.085 ( -0.096 -0.611 0.122) 0.630 16.276 ( 6.959 -0.281 0.886) 7.021 23.649 ( 11.310 4.807 2.359) 12.514 24.085 ( 2.998 -0.367 0.746) 3.111 25.359 ( -0.147 -1.088 5.160) 5.276 25.409 ( 5.128 -10.175 2.842) 11.744 25.848 ( -8.549 6.546 3.242) 11.245 26.220 ( -4.647 0.159 -5.114) 6.912 35.044 ( -0.108 -0.956 -8.332) 8.387 35.331 ( -7.167 -3.356 -8.837) 11.863 36.217 ( -1.128 -0.103 7.466) 7.551 36.277 ( -0.815 -0.902 6.292) 6.408 36.699 ( 6.343 3.177 5.002) 8.680 38.279 ( 3.960 3.527 -3.575) 6.395 92.203 ( 0.162 -0.530 -0.676) 0.874 93.589 ( 0.233 -2.103 3.212) 3.846 93.709 ( -2.415 -0.822 0.758) 2.661 96.062 ( -1.831 1.350 -4.695) 5.217 96.141 ( -1.105 0.696 -6.233) 6.369 97.711 ( 24.983 13.181 43.449) 51.824 ======================= Grid point 227 (61/188) ======================= q-point: (-0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -14.984 -4.558 14.216) 21.152 1.405 ( -14.749 -3.467 18.856) 24.189 2.085 ( -14.476 -9.777 19.109) 25.891 3.898 ( -4.033 3.548 21.327) 21.993 4.699 ( 11.216 11.290 3.619) 16.320 5.333 ( 7.692 6.783 1.677) 10.392 5.428 ( 6.954 -0.729 -4.276) 8.196 5.743 ( 11.047 -1.261 5.582) 12.441 6.045 ( -9.076 3.694 -3.888) 10.542 6.338 ( -4.849 -3.128 -2.675) 6.360 6.741 ( -1.392 -5.707 -12.627) 13.927 7.031 ( -3.491 -2.805 -9.805) 10.779 8.292 ( 0.059 -0.092 -13.330) 13.331 8.556 ( 1.109 -2.787 -9.183) 9.661 8.744 ( 6.528 6.319 -7.154) 11.564 10.056 ( 1.049 0.451 2.595) 2.835 10.156 ( 1.386 -0.836 7.197) 7.377 10.517 ( -0.366 -0.579 5.870) 5.910 10.863 ( -6.007 -2.440 7.765) 10.115 11.002 ( -8.460 -3.463 9.361) 13.084 11.637 ( 10.265 4.966 -9.207) 14.656 15.348 ( -1.593 1.579 -0.243) 2.256 15.452 ( -3.283 1.218 0.789) 3.590 15.693 ( 0.804 3.878 -1.736) 4.324 15.860 ( 0.935 -3.448 0.938) 3.694 16.082 ( 0.146 -0.225 0.277) 0.385 16.406 ( 7.635 0.839 2.437) 8.058 23.909 ( 12.280 5.126 1.009) 13.346 24.137 ( 2.436 1.272 0.167) 2.753 25.348 ( 1.423 -2.381 5.456) 6.121 25.427 ( 5.534 -4.453 6.195) 9.425 25.744 ( -8.788 3.074 2.599) 9.666 26.135 ( -5.346 0.058 -6.913) 8.739 35.029 ( -0.082 -1.678 -8.166) 8.337 35.177 ( -7.020 -2.770 -10.037) 12.558 36.199 ( -0.728 -0.115 6.879) 6.919 36.249 ( -1.290 -0.927 6.202) 6.402 36.830 ( 5.139 2.762 5.144) 7.778 38.403 ( 5.897 4.080 -2.609) 7.631 92.204 ( 0.346 -0.116 -0.286) 0.464 93.570 ( 0.382 -2.684 2.825) 3.915 93.652 ( -3.554 -0.282 1.255) 3.779 96.046 ( -1.068 0.739 -6.230) 6.364 96.121 ( -1.414 -0.320 -6.696) 6.851 98.444 ( 39.925 22.753 43.182) 63.059 ======================= Grid point 228 (62/188) ======================= q-point: (-0.10 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -5.256 -2.826 21.811) 22.613 1.144 ( -11.736 -2.699 22.136) 25.200 1.745 ( -12.446 -8.658 29.200) 32.901 3.870 ( -1.474 0.782 21.933) 21.997 5.042 ( 14.303 12.060 2.533) 18.880 5.496 ( 6.599 0.548 0.874) 6.679 5.546 ( 5.310 1.198 -4.101) 6.816 5.826 ( -0.952 -2.863 0.343) 3.037 5.937 ( -4.989 0.515 4.612) 6.813 6.203 ( -6.883 -1.861 10.132) 12.390 6.695 ( 1.431 -1.215 -19.038) 19.131 6.913 ( -5.948 -3.713 -14.877) 16.446 8.336 ( 3.329 2.087 -12.977) 13.559 8.507 ( -2.906 -2.756 -11.161) 11.858 8.919 ( 6.194 4.274 -7.850) 10.874 10.088 ( 1.762 1.156 3.563) 4.140 10.161 ( -0.365 -0.411 6.581) 6.604 10.504 ( -0.386 -0.824 4.181) 4.279 10.758 ( -2.930 -1.067 10.119) 10.589 10.849 ( -5.574 -3.027 11.496) 13.130 11.838 ( 7.302 3.792 -16.258) 18.222 15.338 ( -0.292 0.654 -0.214) 0.747 15.405 ( -2.493 -0.689 0.481) 2.631 15.762 ( 1.962 4.241 -0.321) 4.684 15.844 ( 0.516 -2.548 0.473) 2.643 16.083 ( 0.089 -0.036 0.491) 0.500 16.539 ( 5.701 1.831 2.235) 6.391 24.128 ( 8.270 1.993 -0.342) 8.514 24.186 ( 0.876 2.628 -0.172) 2.775 25.361 ( 1.166 0.041 5.176) 5.306 25.510 ( 6.878 -1.911 5.264) 8.870 25.627 ( -6.582 1.051 1.491) 6.830 26.049 ( -3.931 -0.312 -7.449) 8.429 35.010 ( 0.247 -2.377 -8.126) 8.470 35.050 ( -5.319 -0.728 -9.397) 10.822 36.192 ( -0.071 0.058 6.373) 6.373 36.219 ( -1.142 -0.714 6.167) 6.312 36.920 ( 2.752 1.541 5.234) 6.110 38.545 ( 5.608 3.432 -4.133) 7.766 92.212 ( 0.494 0.204 -0.078) 0.540 93.552 ( 0.537 -2.266 2.629) 3.512 93.590 ( -3.365 0.244 2.528) 4.216 96.043 ( 0.088 0.526 -7.280) 7.300 96.090 ( -1.419 -0.800 -7.104) 7.289 99.430 ( 41.899 24.192 22.542) 53.376 ======================= Grid point 230 (63/188) ======================= q-point: ( 0.10 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 11.589 13.410 14.823) 23.106 1.380 ( 7.684 14.188 18.458) 24.516 1.971 ( 8.668 15.378 23.133) 29.099 3.914 ( 0.372 4.297 21.794) 22.217 4.856 ( -5.193 -13.437 1.486) 14.482 5.298 ( -10.189 -5.062 1.401) 11.463 5.493 ( 1.454 -6.315 -1.162) 6.584 5.755 ( -0.544 -8.631 6.688) 10.932 6.098 ( 3.353 6.788 -2.209) 7.886 6.336 ( 6.633 5.303 1.108) 8.564 6.637 ( -4.202 1.092 -16.306) 16.874 6.974 ( 0.015 3.885 -13.469) 14.018 8.321 ( 1.832 -1.979 -14.049) 14.306 8.499 ( -2.726 0.391 -8.455) 8.892 8.834 ( -1.358 -6.620 -8.899) 11.174 10.066 ( -0.346 -1.616 2.985) 3.412 10.148 ( -1.057 -1.538 8.478) 8.681 10.510 ( 0.647 0.661 6.136) 6.206 10.811 ( 0.305 5.489 8.024) 9.727 10.931 ( 0.828 7.315 7.893) 10.793 11.722 ( -1.729 -8.896 -9.601) 13.202 15.362 ( 1.012 2.105 -0.637) 2.421 15.444 ( -0.150 3.181 0.472) 3.219 15.761 ( -1.908 -0.668 -0.662) 2.128 15.808 ( 1.059 -1.616 0.421) 1.977 16.080 ( -0.096 -0.229 0.293) 0.385 16.424 ( -3.145 -7.727 3.524) 9.056 23.911 ( -9.302 -11.475 1.290) 14.828 24.189 ( -0.061 -1.360 0.177) 1.373 25.300 ( -2.302 -4.812 5.006) 7.316 25.442 ( 1.818 -4.397 4.021) 6.230 25.815 ( 9.149 7.962 2.703) 12.426 26.087 ( -2.644 5.987 -5.998) 8.878 34.997 ( -0.550 1.419 -8.182) 8.322 35.156 ( 3.897 5.391 -9.799) 11.843 36.199 ( 0.423 0.593 6.624) 6.664 36.236 ( 0.421 1.242 6.239) 6.375 36.859 ( -2.488 -4.584 5.169) 7.343 38.446 ( -3.482 -6.053 -2.696) 7.485 92.202 ( -0.388 -0.497 -0.243) 0.676 93.536 ( -0.280 0.372 2.725) 2.764 93.658 ( 2.436 2.788 1.749) 4.095 96.052 ( 0.306 1.034 -6.794) 6.879 96.116 ( 0.931 1.549 -6.564) 6.808 98.695 ( -24.943 -43.189 40.001) 63.934 ======================= Grid point 231 (64/188) ======================= q-point: ( 0.20 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 15.623 15.077 9.734) 23.794 1.659 ( 7.962 14.830 14.970) 22.527 2.277 ( 9.860 11.267 14.459) 20.814 3.959 ( -2.190 7.756 21.703) 23.151 4.643 ( -7.158 -6.865 0.660) 9.940 5.089 ( -8.902 -3.598 1.010) 9.655 5.440 ( -2.762 -4.413 -2.469) 5.762 5.679 ( 5.353 -12.615 9.625) 16.746 6.138 ( -3.301 2.544 -5.425) 6.841 6.482 ( 0.889 6.097 1.465) 6.333 6.608 ( 2.703 -1.561 -17.823) 18.094 6.986 ( -0.369 0.149 -11.593) 11.600 8.352 ( 2.514 -0.768 -12.763) 13.030 8.433 ( -2.923 -2.120 -7.563) 8.380 8.762 ( -1.277 -3.447 -11.569) 12.139 10.042 ( -0.543 -2.327 5.969) 6.430 10.099 ( -1.292 -3.238 8.027) 8.751 10.538 ( 1.258 1.305 6.043) 6.309 10.864 ( -0.460 5.458 4.676) 7.202 11.013 ( 0.363 7.399 4.156) 8.494 11.637 ( 0.695 -6.270 -1.372) 6.456 15.412 ( 1.395 3.648 -1.554) 4.203 15.449 ( -3.332 3.995 2.625) 5.827 15.716 ( -1.917 0.560 -2.696) 3.355 15.837 ( 2.981 -1.626 -0.250) 3.405 16.076 ( 0.043 -0.353 0.062) 0.361 16.301 ( -2.164 -7.832 2.998) 8.661 23.640 ( -8.136 -11.540 2.815) 14.398 24.161 ( -2.954 1.190 0.453) 3.217 25.229 ( 1.727 -8.104 2.799) 8.746 25.437 ( 2.062 -4.326 3.190) 5.757 26.048 ( 7.279 7.675 4.909) 11.661 26.094 ( -3.160 7.498 -5.892) 10.046 35.016 ( 0.308 2.500 -8.242) 8.619 35.281 ( 5.083 4.327 -9.041) 11.238 36.217 ( 0.597 0.988 6.776) 6.874 36.254 ( 0.324 0.851 6.643) 6.705 36.751 ( -4.114 -5.507 5.062) 8.537 38.332 ( -3.864 -3.789 -3.027) 6.201 92.193 ( -0.114 -0.358 -0.678) 0.775 93.547 ( 0.879 0.506 2.729) 2.911 93.718 ( 2.032 1.325 1.459) 2.830 96.075 ( 0.512 2.268 -6.684) 7.077 96.145 ( 0.545 1.433 -4.875) 5.110 97.920 ( -22.863 -27.050 44.488) 56.865 ======================= Grid point 232 (65/188) ======================= q-point: ( 0.30 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 6.193 12.969 12.414) 18.991 1.980 ( 13.428 12.688 8.573) 20.367 2.476 ( 2.886 5.329 6.276) 8.724 3.991 ( -4.610 10.604 22.438) 25.242 4.506 ( -3.343 -1.207 0.206) 3.560 4.926 ( -7.711 -1.189 0.156) 7.804 5.311 ( -5.783 -4.793 -1.386) 7.638 5.696 ( 7.721 -9.322 9.938) 15.662 6.069 ( -3.675 -1.677 -10.601) 11.345 6.478 ( -5.499 5.174 -2.047) 7.823 6.678 ( 5.346 -2.363 -10.957) 12.418 6.986 ( 2.357 -3.208 -10.939) 11.641 8.331 ( -1.239 -3.296 -4.550) 5.754 8.430 ( 2.229 0.869 -15.622) 15.805 8.713 ( -1.823 -1.766 -12.606) 12.859 9.995 ( -0.661 -4.107 11.609) 12.332 10.064 ( 0.944 -3.521 3.319) 4.930 10.572 ( 0.684 1.884 5.102) 5.481 10.913 ( 0.363 5.232 0.774) 5.302 11.086 ( -0.292 6.863 3.694) 7.800 11.605 ( 0.896 -4.342 4.325) 6.194 15.421 ( -4.613 5.020 3.131) 7.502 15.477 ( 1.270 4.612 -2.312) 5.313 15.712 ( 0.466 0.685 -4.110) 4.193 15.860 ( 1.449 -1.904 -0.288) 2.410 16.076 ( 0.422 -0.549 -0.052) 0.694 16.199 ( -1.121 -6.930 1.755) 7.236 23.427 ( -4.269 -9.638 2.937) 10.943 24.121 ( -4.459 3.846 0.779) 5.940 25.198 ( 5.246 -10.434 0.294) 11.682 25.420 ( 1.089 -4.606 3.297) 5.768 26.092 ( -4.554 8.827 -0.322) 9.937 26.233 ( 5.129 4.695 0.711) 6.989 35.050 ( -0.167 3.717 -8.230) 9.032 35.411 ( 5.866 2.501 -7.810) 10.083 36.235 ( 0.286 0.942 6.947) 7.016 36.263 ( -0.005 0.593 6.967) 6.992 36.623 ( -4.042 -5.443 5.005) 8.427 38.246 ( -2.922 -1.652 -4.337) 5.485 92.191 ( 0.253 -0.373 -1.110) 1.198 93.571 ( 1.038 0.815 2.937) 3.220 93.750 ( 1.250 -0.378 1.521) 2.005 96.111 ( 0.481 2.884 -6.840) 7.439 96.161 ( -0.413 1.546 -2.670) 3.113 97.406 ( -13.262 -14.912 40.033) 44.732 ======================= Grid point 233 (66/188) ======================= q-point: ( 0.40 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -0.489 9.179 10.130) 13.679 2.256 ( 5.465 6.595 12.851) 15.443 2.490 ( -3.175 1.838 -1.505) 3.966 4.012 ( -5.779 12.068 22.784) 26.422 4.528 ( 4.110 4.738 0.785) 6.321 4.783 ( -8.308 -1.126 0.366) 8.392 5.199 ( -1.626 -3.007 -1.578) 3.765 5.666 ( -3.859 -6.200 5.316) 9.033 6.069 ( 7.583 -2.717 -9.169) 12.204 6.426 ( -5.362 3.351 -3.887) 7.422 6.726 ( 2.901 -1.551 -6.402) 7.198 6.997 ( 3.905 -6.030 -11.601) 13.645 8.299 ( 1.117 -2.555 -5.628) 6.281 8.475 ( 1.535 1.118 -15.735) 15.849 8.657 ( -3.097 -1.175 -11.370) 11.843 9.961 ( 1.488 -3.724 11.505) 12.184 10.050 ( 1.822 -4.438 2.520) 5.419 10.595 ( -0.360 2.098 4.831) 5.279 10.987 ( 2.590 4.480 -1.798) 5.478 11.135 ( -1.479 6.313 4.554) 7.923 11.562 ( -1.551 -4.045 7.021) 8.250 15.401 ( -3.952 6.054 2.155) 7.544 15.540 ( 0.629 4.467 -2.697) 5.256 15.733 ( 0.420 1.288 -4.050) 4.270 15.849 ( 0.553 -3.423 0.120) 3.470 16.078 ( 1.368 -2.089 -0.419) 2.532 16.130 ( -0.536 -4.048 1.059) 4.218 23.313 ( 0.777 -6.994 2.574) 7.493 24.091 ( -4.485 6.017 1.010) 7.573 25.195 ( 7.283 -12.460 -1.653) 14.527 25.388 ( 0.130 -3.654 4.221) 5.585 26.103 ( -4.562 8.811 0.804) 9.954 26.321 ( 1.427 2.030 0.069) 2.482 35.077 ( -1.315 4.061 -8.227) 9.268 35.510 ( 3.691 -0.313 -6.906) 7.837 36.245 ( 0.221 0.774 7.195) 7.240 36.267 ( -0.259 0.644 6.829) 6.865 36.525 ( -1.479 -3.870 5.114) 6.582 38.201 ( -1.371 0.032 -5.253) 5.429 92.193 ( 0.408 -0.496 -1.329) 1.476 93.593 ( 0.399 0.843 3.249) 3.381 93.756 ( 0.627 -1.481 1.543) 2.229 96.141 ( -0.368 2.559 -6.910) 7.378 96.164 ( -1.003 1.934 -1.158) 2.467 97.162 ( -3.052 -6.934 35.883) 36.674 ======================= Grid point 234 (67/188) ======================= q-point: (-0.50 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -9.445 4.177 8.848) 13.599 2.201 ( -12.513 -0.561 11.222) 16.817 2.514 ( 1.212 2.599 1.597) 3.282 4.043 ( -4.475 12.305 22.321) 25.878 4.601 ( -7.749 -0.981 2.698) 8.264 4.742 ( 9.590 7.319 0.335) 12.069 5.211 ( 4.406 0.097 -2.003) 4.841 5.495 ( -6.962 -5.893 1.130) 9.191 6.215 ( 10.102 -2.191 -5.662) 11.786 6.366 ( -5.428 3.327 -5.707) 8.550 6.754 ( 2.352 -2.320 -4.774) 5.806 7.000 ( 3.761 -5.894 -12.387) 14.224 8.318 ( 3.500 -1.800 -6.221) 7.361 8.485 ( -1.974 -0.326 -16.342) 16.464 8.603 ( -1.443 0.668 -9.028) 9.167 9.973 ( 3.143 -2.049 9.482) 10.197 10.039 ( 2.284 -4.599 3.344) 6.127 10.597 ( -1.647 1.641 5.373) 5.855 11.059 ( 1.541 -0.088 -0.256) 1.565 11.187 ( 0.735 8.509 1.947) 8.759 11.465 ( -4.964 -4.449 8.014) 10.424 15.405 ( -2.833 6.193 1.203) 6.916 15.577 ( -0.965 3.212 -2.630) 4.262 15.740 ( -1.725 2.146 -3.443) 4.408 15.824 ( 1.610 -4.618 0.696) 4.940 16.082 ( 2.569 -4.248 -1.121) 5.089 16.106 ( 0.510 -0.167 1.408) 1.507 23.319 ( 6.460 -4.218 2.356) 8.067 24.089 ( -3.399 7.207 1.010) 8.032 25.193 ( 7.503 -13.837 -1.744) 15.836 25.363 ( 0.021 -1.221 4.836) 4.988 26.103 ( -5.476 8.094 2.128) 10.001 26.328 ( -1.522 0.017 -1.503) 2.139 35.083 ( -2.197 3.233 -8.230) 9.111 35.509 ( -1.747 -3.247 -6.839) 7.769 36.255 ( -0.669 0.602 7.989) 8.039 36.272 ( 0.701 0.396 6.109) 6.162 36.512 ( 3.093 -0.923 4.946) 5.906 38.201 ( 0.623 1.194 -5.215) 5.386 92.194 ( 0.355 -0.575 -1.302) 1.466 93.597 ( -0.513 0.162 3.370) 3.413 93.747 ( 0.111 -1.461 1.459) 2.068 96.139 ( -2.177 1.922 -2.937) 4.131 96.171 ( -0.590 1.608 -5.179) 5.455 97.161 ( 7.439 -0.848 35.869) 36.642 ======================= Grid point 235 (68/188) ======================= q-point: (-0.40 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -18.171 0.814 7.155) 19.546 1.940 ( -15.679 -0.572 12.748) 20.216 2.486 ( -6.302 -1.048 7.751) 10.045 4.080 ( -4.989 8.670 23.125) 25.195 4.498 ( -1.131 0.539 0.976) 1.588 5.003 ( 10.557 6.650 1.506) 12.568 5.320 ( 3.404 1.629 -2.583) 4.573 5.382 ( 3.588 -2.935 3.133) 5.595 6.285 ( -1.175 -2.979 -2.459) 4.038 6.350 ( 0.749 4.596 -10.369) 11.367 6.746 ( 0.968 -5.180 -5.960) 7.956 7.020 ( 3.553 -3.217 -11.698) 12.642 8.380 ( 5.050 -1.801 -5.519) 7.694 8.404 ( -4.592 -0.837 -14.404) 15.141 8.632 ( 1.723 2.922 -10.608) 11.137 10.014 ( 2.131 -0.339 3.503) 4.115 10.047 ( 3.938 -3.432 8.717) 10.162 10.572 ( -2.431 0.730 6.263) 6.758 11.028 ( -2.897 -2.409 4.438) 5.822 11.290 ( -3.738 -4.278 -1.107) 5.788 11.350 ( 1.763 7.205 5.470) 9.216 15.417 ( -2.379 4.654 0.330) 5.237 15.565 ( -2.733 0.881 -1.841) 3.411 15.725 ( -2.150 2.542 -2.354) 4.077 15.812 ( 1.674 -3.938 0.671) 4.332 16.077 ( 0.289 -1.034 -0.156) 1.085 16.156 ( 5.796 -1.042 1.334) 6.038 23.447 ( 11.845 -2.062 2.348) 12.250 24.115 ( -1.760 6.780 0.731) 7.043 25.184 ( 6.606 -11.520 0.823) 13.305 25.366 ( 0.667 0.437 4.246) 4.320 26.064 ( -7.868 6.728 3.232) 10.845 26.279 ( -3.191 -1.384 -3.470) 4.913 35.066 ( -2.404 1.498 -8.188) 8.664 35.407 ( -5.423 -3.631 -7.845) 10.205 36.239 ( -1.362 0.103 7.790) 7.909 36.279 ( -0.199 -0.427 6.232) 6.250 36.607 ( 6.878 1.425 4.783) 8.498 38.246 ( 2.880 1.728 -4.253) 5.419 92.194 ( 0.272 -0.496 -1.055) 1.198 93.580 ( -0.946 -0.860 3.135) 3.386 93.731 ( -0.833 -0.593 1.413) 1.745 96.113 ( -2.555 1.239 -3.110) 4.212 96.167 ( -1.121 0.615 -6.459) 6.585 97.405 ( 19.555 4.090 39.948) 44.666 ======================= Grid point 236 (69/188) ======================= q-point: (-0.30 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -21.101 0.964 9.148) 23.019 1.663 ( -16.478 -0.164 15.667) 22.738 2.280 ( -14.631 -3.223 14.677) 20.973 4.016 ( -6.757 0.857 22.096) 23.122 4.607 ( 9.013 5.532 1.822) 10.731 5.191 ( 8.990 -2.426 0.622) 9.332 5.368 ( 3.042 5.088 -0.193) 5.931 5.556 ( 11.505 1.787 4.865) 12.618 6.211 ( -5.076 -0.511 -3.293) 6.072 6.381 ( -2.277 3.690 -8.959) 9.953 6.693 ( -0.240 -6.274 -8.955) 10.936 7.029 ( 0.430 -3.064 -11.285) 11.702 8.321 ( -2.896 0.394 -13.558) 13.869 8.468 ( 5.274 -1.956 -6.328) 8.467 8.710 ( 3.681 4.086 -10.656) 11.991 10.037 ( 1.459 -0.074 1.811) 2.327 10.101 ( 3.935 -0.794 10.155) 10.920 10.536 ( -2.058 -0.001 6.919) 7.219 10.930 ( -4.965 -3.227 6.559) 8.837 11.106 ( -8.328 -5.420 5.351) 11.286 11.530 ( 7.788 6.548 -4.388) 11.081 15.404 ( -2.909 1.675 -0.667) 3.422 15.510 ( -3.223 -1.124 -0.522) 3.453 15.732 ( -0.331 3.315 -1.155) 3.526 15.802 ( 1.153 -2.874 0.433) 3.127 16.076 ( 0.251 -0.227 0.045) 0.342 16.273 ( 7.991 0.440 2.905) 8.514 23.667 ( 15.231 -1.385 2.092) 15.436 24.156 ( -0.077 4.188 0.333) 4.202 25.210 ( 6.521 -5.062 3.855) 9.111 25.390 ( 1.033 1.427 3.990) 4.361 25.963 ( -10.664 5.112 3.270) 12.270 26.197 ( -3.920 -2.984 -4.967) 6.996 35.033 ( -1.938 -0.507 -8.126) 8.369 35.275 ( -6.607 -1.696 -9.270) 11.509 36.216 ( -1.249 0.000 7.294) 7.400 36.262 ( -1.036 -0.624 6.175) 6.292 36.745 ( 7.026 1.377 4.978) 8.720 38.331 ( 5.221 1.491 -2.964) 6.186 92.195 ( 0.368 -0.268 -0.646) 0.790 93.554 ( -0.758 -1.221 2.827) 3.172 93.704 ( -2.276 0.255 1.442) 2.706 96.080 ( -2.159 0.369 -4.938) 5.402 96.146 ( -1.614 0.016 -6.637) 6.830 97.919 ( 34.893 6.321 44.386) 56.812 ======================= Grid point 241 (70/188) ======================= q-point: ( 0.20 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 12.244 15.155 8.231) 21.151 1.940 ( 7.871 13.598 11.985) 19.761 2.471 ( 4.119 7.282 9.123) 12.378 4.133 ( 1.037 9.098 22.669) 24.449 4.514 ( -1.622 -5.061 1.006) 5.409 5.027 ( -6.380 -3.970 1.455) 7.654 5.352 ( -4.792 -5.463 -0.107) 7.268 5.447 ( 8.756 -7.959 4.532) 12.671 6.171 ( -7.345 0.319 -4.396) 8.566 6.504 ( 8.394 -1.817 -9.166) 12.561 6.634 ( -4.755 2.779 -8.861) 10.433 6.970 ( -2.980 -2.115 -11.682) 12.240 8.342 ( -2.884 -1.915 -5.101) 6.165 8.408 ( 1.790 1.548 -14.891) 15.078 8.691 ( 0.936 -3.554 -12.405) 12.939 9.993 ( -2.693 -2.313 7.706) 8.485 10.029 ( -0.949 -3.683 6.715) 7.717 10.577 ( 1.138 2.270 6.313) 6.805 10.970 ( -0.872 4.905 1.916) 5.337 11.178 ( -1.485 8.571 3.352) 9.323 11.504 ( 4.113 -6.814 2.704) 8.406 15.474 ( 2.623 2.501 -1.343) 3.865 15.540 ( -1.654 4.753 0.894) 5.111 15.722 ( -1.677 0.209 -2.205) 2.778 15.812 ( 2.624 -0.907 -1.071) 2.975 16.067 ( -0.444 -0.902 -0.249) 1.036 16.156 ( -2.006 -6.066 2.741) 6.952 23.416 ( -6.634 -10.434 2.480) 12.611 24.203 ( 1.335 2.670 0.124) 2.987 25.065 ( -3.094 -7.490 0.987) 8.163 25.382 ( 0.280 -1.891 4.049) 4.477 26.168 ( 6.780 4.467 3.613) 8.887 26.225 ( -1.545 5.520 -3.756) 6.854 35.083 ( 1.646 3.896 -7.940) 8.996 35.364 ( 2.429 4.016 -8.150) 9.406 36.239 ( 0.557 1.220 7.511) 7.629 36.271 ( -0.046 0.749 6.426) 6.469 36.626 ( -3.407 -6.807 4.789) 8.993 38.264 ( -1.690 -2.972 -4.015) 5.273 92.188 ( -0.203 -0.176 -1.103) 1.135 93.569 ( 0.619 1.582 2.853) 3.321 93.731 ( 0.682 0.069 1.789) 1.916 96.124 ( 1.226 2.477 -4.532) 5.309 96.172 ( 0.571 1.199 -5.265) 5.430 97.450 ( -11.373 -19.789 40.589) 46.566 ======================= Grid point 242 (71/188) ======================= q-point: ( 0.30 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 4.015 11.083 9.410) 15.083 2.209 ( 8.658 10.153 9.752) 16.527 2.537 ( -0.902 0.488 4.506) 4.621 4.224 ( -3.489 12.459 22.368) 25.841 4.484 ( 2.945 -0.590 1.584) 3.395 4.879 ( -6.378 -5.237 3.597) 9.002 5.213 ( -3.595 -4.393 -0.992) 5.763 5.582 ( 8.929 -0.847 3.810) 9.745 6.024 ( -6.086 -3.511 -7.425) 10.223 6.539 ( -3.644 1.199 -4.310) 5.770 6.645 ( 4.393 -0.389 -12.611) 13.360 6.903 ( -0.322 -5.175 -11.275) 12.410 8.276 ( -1.236 -2.398 -6.080) 6.651 8.470 ( 1.642 3.268 -15.078) 15.516 8.666 ( -0.365 -2.798 -12.912) 13.217 9.928 ( -1.311 -2.406 11.238) 11.567 9.989 ( 0.342 -3.814 3.954) 5.504 10.612 ( 0.515 1.923 5.338) 5.698 11.010 ( 0.278 4.254 -2.221) 4.807 11.227 ( -1.643 6.944 4.967) 8.694 11.506 ( 2.394 -5.331 6.528) 8.762 15.517 ( -1.999 4.278 0.605) 4.761 15.572 ( 0.407 4.939 -0.712) 5.007 15.719 ( 1.200 -0.072 -4.000) 4.177 15.826 ( -0.044 -1.283 -1.038) 1.651 16.024 ( -0.275 -5.578 -0.595) 5.616 16.108 ( 0.120 -1.167 2.575) 2.829 23.248 ( -2.319 -7.711 2.154) 8.336 24.248 ( -2.755 8.601 0.114) 9.032 24.962 ( 2.818 -12.671 -1.080) 13.025 25.364 ( -0.088 -1.707 4.449) 4.766 26.231 ( -2.165 5.242 0.223) 5.675 26.301 ( 3.234 2.244 0.402) 3.956 35.150 ( -0.168 6.063 -7.723) 9.820 35.435 ( 3.515 -0.276 -7.208) 8.024 36.255 ( -0.023 1.145 7.509) 7.595 36.277 ( -0.018 0.674 6.678) 6.712 36.511 ( -2.401 -5.556 4.729) 7.681 38.219 ( -1.183 -1.116 -4.989) 5.248 92.185 ( 0.070 -0.254 -1.437) 1.461 93.599 ( 0.658 1.929 2.970) 3.603 93.731 ( 0.303 -1.525 2.072) 2.590 96.164 ( 0.519 2.416 -5.355) 5.898 96.188 ( 0.004 1.148 -2.920) 3.138 97.155 ( -5.766 -10.086 36.114) 37.936 ======================= Grid point 243 (72/188) ======================= q-point: ( 0.40 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -4.889 6.997 7.777) 11.547 2.355 ( -2.975 3.080 13.814) 14.462 2.502 ( 0.948 -0.412 0.428) 1.119 4.252 ( -6.195 11.690 19.260) 23.366 4.627 ( 10.097 4.931 5.938) 12.709 4.695 ( -7.050 -8.013 5.095) 11.827 5.166 ( 0.769 -0.585 -3.110) 3.257 5.603 ( -7.615 0.534 0.832) 7.679 6.006 ( 9.210 -4.286 -5.306) 11.461 6.486 ( -4.294 3.127 -7.228) 8.970 6.699 ( 1.988 -1.115 -9.346) 9.620 6.870 ( 3.632 -6.259 -11.910) 13.936 8.258 ( 1.378 -1.590 -7.117) 7.422 8.515 ( -0.369 2.597 -15.335) 15.557 8.625 ( -1.180 -1.774 -11.846) 12.036 9.913 ( 1.546 -1.168 10.722) 10.896 9.966 ( 1.426 -3.678 4.095) 5.686 10.629 ( -0.507 1.154 5.167) 5.318 11.053 ( 0.415 2.105 -4.023) 4.559 11.267 ( -0.974 6.546 5.797) 8.798 11.468 ( -0.976 -5.026 8.047) 9.538 15.515 ( -3.210 5.065 0.710) 6.038 15.623 ( -0.182 3.669 -2.347) 4.359 15.747 ( 2.138 -1.564 -2.394) 3.571 15.793 ( -1.983 -0.119 -1.390) 2.425 15.985 ( 2.599 -5.468 -0.976) 6.132 16.105 ( -0.103 -0.137 2.479) 2.485 23.190 ( 2.818 -4.755 1.873) 5.836 24.270 ( -6.245 11.109 0.165) 12.745 24.918 ( 7.816 -14.264 -1.751) 16.359 25.351 ( 0.144 -0.881 4.696) 4.780 26.239 ( -2.917 5.102 1.011) 5.963 26.340 ( 0.161 -0.107 -0.241) 0.309 35.181 ( -3.406 6.072 -7.687) 10.371 35.467 ( 2.305 -3.904 -6.751) 8.133 36.267 ( 0.107 1.308 7.354) 7.470 36.278 ( -0.560 0.367 6.874) 6.907 36.454 ( 1.248 -2.975 4.711) 5.710 38.203 ( -0.055 0.077 -5.352) 5.353 92.184 ( 0.215 -0.313 -1.545) 1.591 93.618 ( -0.774 1.615 3.128) 3.605 93.720 ( 0.848 -1.947 2.097) 2.984 96.183 ( -0.812 1.605 -4.770) 5.098 96.194 ( -0.559 0.988 -2.937) 3.148 97.056 ( 2.079 -3.659 34.306) 34.563 ======================= Grid point 245 (73/188) ======================= q-point: (-0.50 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -12.803 3.129 8.093) 15.466 2.196 ( -13.614 -0.227 10.305) 17.076 2.541 ( -0.018 0.438 5.336) 5.354 4.253 ( -6.194 7.368 21.298) 23.372 4.512 ( -3.644 -6.145 3.544) 7.975 4.873 ( 11.135 4.145 5.012) 12.895 5.220 ( 5.781 0.306 -1.428) 5.962 5.453 ( -8.593 2.623 -0.888) 9.028 6.132 ( 8.778 -5.761 -3.403) 11.037 6.470 ( -2.964 6.689 -9.672) 12.128 6.685 ( 0.197 -4.567 -7.704) 8.958 6.909 ( 5.492 -2.753 -12.360) 13.803 8.288 ( 3.553 -1.167 -6.545) 7.537 8.479 ( -4.429 -0.494 -14.945) 15.595 8.630 ( 1.513 1.996 -11.831) 12.093 9.950 ( 3.627 -1.277 11.342) 11.976 9.971 ( 2.341 -1.239 3.112) 4.086 10.615 ( -1.836 0.293 5.727) 6.021 11.045 ( -1.883 -1.384 -1.578) 2.819 11.307 ( -1.870 -0.370 1.464) 2.403 11.405 ( -0.811 2.472 9.230) 9.590 15.506 ( -3.060 3.612 -0.444) 4.754 15.617 ( -2.926 0.027 -1.292) 3.198 15.733 ( 0.620 -3.318 -0.922) 3.499 15.796 ( -0.387 2.547 -2.252) 3.422 16.015 ( 4.974 -1.958 -0.623) 5.381 16.102 ( 0.249 -0.039 2.331) 2.345 23.251 ( 8.093 -2.095 2.014) 8.599 24.252 ( -6.065 6.621 0.071) 8.979 24.952 ( 9.109 -8.176 -0.777) 12.265 25.355 ( 0.849 0.120 4.504) 4.585 26.226 ( -4.364 4.386 2.324) 6.609 26.310 ( -2.406 -1.880 -1.833) 3.561 35.153 ( -4.877 2.882 -7.755) 9.603 35.435 ( -1.576 -3.197 -7.146) 7.985 36.262 ( -1.215 -0.036 7.743) 7.838 36.279 ( -0.059 0.180 6.542) 6.545 36.503 ( 5.793 0.003 4.579) 7.384 38.218 ( 1.545 0.487 -4.966) 5.224 92.185 ( 0.236 -0.259 -1.421) 1.463 93.602 ( -1.887 0.153 3.039) 3.581 93.725 ( 0.884 -0.537 2.028) 2.276 96.166 ( -2.337 0.705 -2.560) 3.537 96.189 ( -0.846 0.370 -5.754) 5.827 97.155 ( 11.588 0.010 36.112) 37.925 ======================= Grid point 249 (74/188) ======================= q-point: (-0.10 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -9.749 8.018 18.309) 22.239 1.273 ( -5.435 12.071 19.503) 23.571 2.004 ( -8.731 15.541 20.772) 27.372 3.827 ( 2.804 -1.762 20.974) 21.234 4.757 ( 7.717 -16.418 4.221) 18.625 5.318 ( 9.403 -7.318 -0.671) 11.934 5.532 ( 1.066 -6.232 -6.304) 8.928 5.915 ( -0.142 4.828 1.195) 4.976 5.971 ( -10.393 -7.184 6.514) 14.215 6.252 ( 1.913 7.648 0.364) 7.892 6.741 ( -1.103 5.974 -17.040) 18.091 6.990 ( -0.855 4.771 -9.033) 10.251 8.323 ( -2.067 -1.457 -12.918) 13.163 8.548 ( 1.053 3.513 -10.826) 11.430 8.798 ( 2.642 -9.100 -6.254) 11.353 10.068 ( -0.098 -1.063 4.559) 4.683 10.168 ( -0.064 0.515 5.649) 5.673 10.528 ( -1.218 0.580 3.464) 3.717 10.787 ( 0.818 4.672 8.315) 9.572 10.913 ( -0.080 5.620 9.926) 11.407 11.737 ( 1.493 -8.237 -9.272) 12.491 15.323 ( 0.573 -0.493 -0.136) 0.768 15.396 ( 2.017 -0.195 2.932) 3.564 15.686 ( 1.204 -2.860 -2.407) 3.927 15.887 ( -1.143 1.741 0.459) 2.133 16.084 ( -0.081 0.094 0.397) 0.416 16.485 ( 1.415 -4.549 1.641) 5.039 23.940 ( 9.433 -10.717 1.931) 14.407 24.194 ( -1.432 0.095 -0.757) 1.623 25.354 ( 0.276 -0.188 5.141) 5.152 25.620 ( -7.094 -2.930 6.834) 10.277 25.642 ( -3.993 3.576 2.891) 6.090 26.017 ( 5.046 3.994 -8.334) 10.529 35.029 ( 0.847 2.119 -8.576) 8.874 35.131 ( -4.363 4.962 -9.652) 11.696 36.194 ( -0.228 0.277 6.374) 6.384 36.239 ( -0.532 1.430 6.542) 6.717 36.862 ( 2.350 -4.346 5.234) 7.198 38.436 ( 3.900 -6.776 -2.783) 8.298 92.207 ( 0.186 -0.146 -0.175) 0.294 93.588 ( 1.056 2.241 2.943) 3.847 93.624 ( -3.864 2.043 1.040) 4.493 96.031 ( 0.420 -0.320 -7.664) 7.682 96.109 ( -0.477 0.864 -5.758) 5.842 98.698 ( 24.685 -42.743 40.432) 63.805 ======================= Grid point 253 (75/188) ======================= q-point: ( 0.30 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 5.160 7.172 6.498) 10.967 2.361 ( 2.538 5.300 11.238) 12.682 2.494 ( -2.732 -4.514 4.653) 7.035 4.445 ( 6.731 6.800 22.013) 24.003 4.507 ( -2.155 5.766 2.363) 6.594 4.699 ( -4.701 -11.880 8.751) 15.485 5.161 ( -0.799 -1.155 -3.924) 4.168 5.665 ( 8.013 7.877 -1.110) 11.291 5.912 ( -7.802 -7.777 -3.540) 11.571 6.538 ( 0.871 -0.320 -9.078) 9.126 6.682 ( 1.124 3.379 -10.851) 11.420 6.794 ( -2.916 -5.255 -11.376) 12.865 8.240 ( -0.737 -1.066 -7.685) 7.793 8.543 ( 1.318 3.451 -14.289) 14.759 8.611 ( -0.525 -2.576 -13.170) 13.430 9.903 ( -0.758 -0.266 9.396) 9.430 9.926 ( -0.721 -2.191 5.958) 6.389 10.639 ( 0.341 0.686 4.978) 5.036 11.068 ( 0.429 1.479 -4.973) 5.206 11.340 ( -0.092 3.922 6.638) 7.710 11.413 ( 0.702 -3.366 8.426) 9.100 15.578 ( 1.473 1.819 -0.223) 2.351 15.659 ( -0.033 3.046 -0.832) 3.158 15.703 ( 0.030 -1.377 -3.110) 3.402 15.825 ( 1.030 1.415 -1.828) 2.531 15.913 ( -2.375 -4.573 -0.977) 5.244 16.105 ( 0.114 0.126 3.041) 3.046 23.142 ( -1.647 -2.830 1.614) 3.650 24.437 ( 5.328 9.536 -0.596) 10.940 24.722 ( -5.947 -10.733 -1.201) 12.329 25.344 ( -0.182 -0.466 4.652) 4.679 26.300 ( 1.023 1.829 0.783) 2.237 26.326 ( 0.270 0.465 -0.028) 0.539 35.270 ( 3.136 5.441 -7.246) 9.589 35.398 ( -1.817 -3.080 -6.931) 7.799 36.278 ( 0.176 1.027 7.440) 7.512 36.285 ( 0.293 0.084 7.057) 7.064 36.423 ( -1.396 -2.701 4.374) 5.327 38.204 ( -0.219 -0.385 -5.387) 5.406 92.181 ( -0.066 -0.098 -1.629) 1.633 93.641 ( 1.129 2.109 2.881) 3.745 93.695 ( -0.984 -1.912 2.504) 3.300 96.200 ( 0.373 1.014 -3.850) 3.999 96.203 ( 0.362 0.319 -3.824) 3.855 97.020 ( -2.012 -3.501 33.842) 34.082 ======================= Grid point 258 (76/188) ======================= q-point: (-0.20 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -14.147 6.259 14.744) 21.370 1.557 ( -12.930 12.477 11.961) 21.585 2.276 ( -7.361 8.861 12.691) 17.140 3.757 ( 1.512 -4.088 19.455) 19.937 4.491 ( 5.853 -13.004 3.305) 14.638 5.071 ( 10.459 -7.963 -1.536) 13.235 5.427 ( 3.451 -5.163 -6.823) 9.226 5.940 ( 0.323 1.336 7.787) 7.907 6.067 ( -9.073 -10.099 -0.421) 13.582 6.281 ( 3.849 9.640 -5.670) 11.828 6.824 ( 0.553 7.166 -12.002) 13.989 7.040 ( -1.537 2.988 -5.513) 6.456 8.372 ( -3.618 0.843 -12.727) 13.258 8.523 ( 4.850 1.932 -7.258) 8.940 8.693 ( 0.237 -6.285 -9.096) 11.059 10.079 ( -1.441 0.634 6.353) 6.545 10.173 ( 1.023 2.105 4.068) 4.693 10.548 ( -0.894 -0.412 2.615) 2.795 10.812 ( 1.160 3.803 5.090) 6.459 10.960 ( -0.265 3.871 7.708) 8.629 11.649 ( 0.266 -6.391 -0.838) 6.451 15.288 ( 1.265 -4.219 2.563) 5.096 15.371 ( -0.085 0.854 0.119) 0.867 15.669 ( -0.826 -0.914 -3.914) 4.103 15.921 ( -0.520 2.457 0.335) 2.533 16.087 ( 0.032 0.242 0.323) 0.405 16.405 ( 3.436 -3.152 0.582) 4.699 23.673 ( 8.796 -9.948 3.233) 13.667 24.212 ( 2.004 4.551 0.177) 4.976 25.356 ( -0.472 0.323 5.242) 5.273 25.651 ( -3.634 -5.218 2.246) 6.744 25.761 ( -0.914 3.077 4.468) 5.501 26.028 ( -3.185 4.438 -5.966) 8.089 35.039 ( 0.933 2.970 -8.736) 9.274 35.266 ( -6.026 3.871 -8.958) 11.469 36.205 ( -0.628 0.376 6.340) 6.382 36.260 ( -0.296 1.262 7.196) 7.312 36.760 ( 3.995 -4.832 5.251) 8.178 38.305 ( 3.938 -5.366 -3.325) 7.440 92.206 ( 0.052 0.448 -0.490) 0.665 93.596 ( 0.719 2.287 2.876) 3.744 93.707 ( -3.448 1.500 0.561) 3.802 96.027 ( -0.553 -0.586 -7.960) 8.000 96.116 ( -0.043 -0.580 -3.820) 3.864 97.941 ( 22.308 -25.219 45.150) 56.322 ======================= Grid point 259 (77/188) ======================= q-point: (-0.10 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -4.453 14.001 12.129) 19.052 1.546 ( -3.924 14.648 14.838) 21.217 2.285 ( -3.587 11.700 12.906) 17.785 3.794 ( 5.978 -1.762 19.805) 20.762 4.470 ( 6.278 -11.845 3.210) 13.785 5.137 ( 7.692 -11.489 -0.405) 13.832 5.408 ( 0.223 -4.593 -8.425) 9.598 5.778 ( -8.895 -9.961 9.327) 16.289 6.020 ( 2.611 4.662 -4.894) 7.246 6.401 ( 0.404 6.153 -5.034) 7.960 6.861 ( -4.058 5.495 -10.996) 12.945 7.059 ( 1.034 1.853 -4.374) 4.862 8.328 ( -2.616 2.183 -12.516) 12.972 8.598 ( 0.116 1.277 -9.966) 10.048 8.617 ( 1.066 -8.261 -5.541) 10.004 10.057 ( -1.071 0.023 4.312) 4.443 10.187 ( -1.717 1.435 4.041) 4.619 10.524 ( -0.502 -0.794 4.241) 4.343 10.895 ( 2.246 5.096 5.328) 7.707 11.049 ( 3.154 8.206 10.132) 13.414 11.550 ( -1.840 -10.247 -3.932) 11.128 15.293 ( 3.194 -2.692 1.665) 4.497 15.414 ( 2.982 2.257 0.322) 3.753 15.653 ( 0.131 -0.741 -3.799) 3.873 15.920 ( -2.149 1.738 0.865) 2.896 16.088 ( -0.221 0.263 0.284) 0.445 16.380 ( -0.960 -5.796 0.533) 5.899 23.707 ( 7.492 -12.066 2.766) 14.469 24.198 ( -6.557 0.147 -0.367) 6.569 25.348 ( 0.517 -0.300 5.445) 5.477 25.569 ( -4.694 -0.925 7.618) 8.996 25.720 ( -2.065 3.238 0.874) 3.939 26.115 ( 4.366 5.163 -6.655) 9.487 35.063 ( -1.390 1.282 -8.417) 8.627 35.252 ( -1.154 6.891 -9.386) 11.701 36.204 ( -0.065 0.737 6.899) 6.939 36.269 ( -0.345 1.549 6.681) 6.867 36.754 ( 1.795 -6.350 5.175) 8.386 38.305 ( 2.649 -6.117 -3.261) 7.421 92.208 ( -0.250 0.275 -0.457) 0.589 93.616 ( -1.233 0.885 3.632) 3.937 93.679 ( -1.236 3.037 -0.118) 3.281 96.029 ( 1.040 0.086 -6.645) 6.727 96.120 ( 0.728 0.161 -5.138) 5.192 97.940 ( 10.665 -31.978 45.041) 56.259 ======================= Grid point 269 (78/188) ======================= q-point: (-0.30 0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -11.735 4.154 11.782) 17.140 1.919 ( -15.347 9.432 6.721) 19.226 2.392 ( -1.064 -0.636 5.651) 5.786 3.704 ( -0.255 -4.449 19.010) 19.525 4.327 ( -0.327 -9.240 2.332) 9.535 4.813 ( 8.850 -10.606 -2.559) 14.048 5.341 ( 3.103 0.021 -5.470) 6.289 5.904 ( 5.095 -0.515 1.169) 5.252 6.092 ( -6.379 -9.301 1.785) 11.418 6.330 ( 1.793 9.721 -6.470) 11.814 6.845 ( 3.147 4.982 -4.468) 7.396 7.113 ( -2.803 2.941 -6.781) 7.905 8.431 ( 0.366 1.471 -9.565) 9.684 8.470 ( 0.782 2.055 -7.511) 7.826 8.644 ( 0.625 -3.643 -11.661) 12.232 10.125 ( -1.303 3.147 7.746) 8.462 10.173 ( 1.917 3.080 2.595) 4.460 10.546 ( 0.028 -1.649 1.696) 2.366 10.836 ( -0.733 2.785 2.156) 3.598 11.004 ( -1.261 2.443 6.302) 6.875 11.591 ( -0.130 -6.004 4.946) 7.780 15.223 ( 0.354 -5.090 1.597) 5.346 15.406 ( -2.250 1.351 -1.581) 3.064 15.679 ( -1.071 -1.132 -3.730) 4.043 15.953 ( 0.097 3.167 0.203) 3.175 16.088 ( -0.025 0.233 0.344) 0.416 16.311 ( 4.142 -2.268 -0.390) 4.738 23.466 ( 5.141 -7.387 3.253) 9.570 24.216 ( 5.303 8.862 1.411) 10.423 25.371 ( -0.262 0.992 4.964) 5.069 25.638 ( -5.802 -13.351 1.814) 14.670 25.771 ( 5.424 9.680 -0.878) 11.131 26.160 ( -6.747 1.315 -1.107) 6.963 35.055 ( 0.958 3.487 -8.716) 9.436 35.403 ( -6.190 1.979 -7.882) 10.216 36.223 ( -0.931 0.634 6.267) 6.367 36.270 ( 0.454 0.871 7.858) 7.919 36.642 ( 4.137 -4.259 5.325) 7.975 38.204 ( 2.397 -3.907 -4.888) 6.701 92.212 ( -0.008 0.806 -0.783) 1.124 93.608 ( 0.455 2.179 3.005) 3.740 93.763 ( -1.778 0.563 0.784) 2.023 96.038 ( -1.618 -1.035 -7.911) 8.141 96.100 ( 0.301 -2.069 -2.088) 2.955 97.461 ( 13.220 -11.266 40.691) 44.244 ======================= Grid point 270 (79/188) ======================= q-point: (-0.20 0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -8.296 10.633 9.273) 16.367 1.802 ( -9.765 11.749 8.611) 17.537 2.393 ( -0.076 2.722 7.747) 8.211 3.696 ( 2.602 -2.013 17.570) 17.875 4.270 ( 4.659 -8.612 2.683) 10.152 4.859 ( 9.885 -13.506 -2.108) 16.869 5.375 ( 0.473 0.555 -8.379) 8.411 5.851 ( -9.562 -8.171 8.453) 15.154 5.990 ( 4.642 0.593 -5.004) 6.851 6.449 ( 1.009 6.740 -6.099) 9.145 6.955 ( 1.646 6.280 -7.387) 9.834 7.064 ( -2.809 -1.053 -1.859) 3.529 8.408 ( -3.359 2.721 -11.268) 12.069 8.517 ( 2.634 -2.280 -5.434) 6.455 8.618 ( -0.714 -1.295 -10.501) 10.604 10.100 ( -2.998 1.638 5.594) 6.554 10.230 ( -0.068 3.459 1.211) 3.665 10.515 ( -0.422 -2.748 2.814) 3.956 10.895 ( 2.063 3.700 1.789) 4.598 11.064 ( 3.488 6.676 10.327) 12.782 11.494 ( -2.308 -9.020 2.498) 9.639 15.204 ( 2.666 -3.952 1.029) 4.877 15.412 ( 0.374 2.983 -1.215) 3.243 15.652 ( -0.584 -1.026 -3.637) 3.824 15.972 ( -1.391 2.667 0.518) 3.052 16.092 ( 0.093 0.335 0.375) 0.512 16.323 ( 1.310 -4.772 -0.644) 4.990 23.480 ( 6.186 -9.015 3.165) 11.383 24.324 ( -3.980 6.225 0.362) 7.397 25.342 ( -1.041 -1.891 5.797) 6.186 25.516 ( 3.364 -5.661 3.779) 7.593 25.861 ( -5.277 4.492 1.284) 7.047 26.115 ( 0.478 4.189 -4.478) 6.150 35.103 ( -0.642 3.216 -8.532) 9.140 35.341 ( -2.912 3.582 -8.337) 9.530 36.217 ( -0.570 0.915 6.843) 6.928 36.287 ( 0.082 1.292 7.348) 7.462 36.652 ( 2.844 -5.901 5.262) 8.402 38.206 ( 2.577 -4.503 -4.765) 7.044 92.217 ( -0.272 0.654 -0.653) 0.963 93.637 ( 0.070 1.809 3.292) 3.757 93.733 ( -2.070 1.029 0.345) 2.337 96.017 ( 0.085 -0.464 -6.885) 6.901 96.096 ( 1.285 -1.337 -3.533) 3.990 97.522 ( 9.547 -16.615 41.526) 45.734 ======================= Grid point 271 (80/188) ======================= q-point: (-0.10 0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -0.104 14.523 7.102) 16.166 1.826 ( -2.094 13.441 10.626) 17.261 2.436 ( 1.244 3.311 6.956) 7.804 3.748 ( 6.503 -2.993 19.966) 21.211 4.323 ( 7.609 -2.518 0.485) 8.030 4.869 ( 7.646 -15.167 -1.384) 17.042 5.367 ( -1.658 -0.332 -8.549) 8.715 5.625 ( -8.764 -4.445 7.060) 12.100 6.092 ( 5.356 2.568 -4.676) 7.560 6.477 ( -2.573 1.579 -5.492) 6.267 6.924 ( -5.920 -0.123 -3.717) 6.991 7.087 ( 1.726 2.271 -6.326) 6.939 8.399 ( -1.563 4.444 -11.290) 12.234 8.493 ( -1.390 -4.117 -6.913) 8.166 8.599 ( -0.262 -1.093 -8.714) 8.787 10.070 ( -2.264 1.235 3.801) 4.594 10.220 ( -4.198 1.624 3.332) 5.600 10.504 ( 1.678 -1.014 3.797) 4.274 10.966 ( 3.335 2.033 3.230) 5.068 11.216 ( 4.000 7.064 12.330) 14.763 11.355 ( -2.634 -8.176 -2.211) 8.870 15.234 ( 4.680 -2.859 1.055) 5.585 15.468 ( 2.379 2.636 -1.576) 3.885 15.646 ( 0.789 -0.068 -3.762) 3.844 15.955 ( -3.131 1.637 1.093) 3.699 16.097 ( -0.187 0.695 0.250) 0.762 16.269 ( -1.581 -5.081 -0.744) 5.373 23.494 ( 5.347 -8.948 2.985) 10.843 24.199 ( -11.459 0.033 0.727) 11.482 25.349 ( 1.314 0.408 4.931) 5.119 25.574 ( 1.545 0.858 4.473) 4.810 25.765 ( -3.181 1.361 0.594) 3.511 26.207 ( 3.414 3.983 -4.077) 6.644 35.080 ( -2.970 0.519 -8.445) 8.967 35.388 ( 1.367 6.472 -8.146) 10.493 36.222 ( -0.002 1.021 7.476) 7.545 36.295 ( -0.450 0.789 6.714) 6.775 36.625 ( 1.162 -6.223 5.153) 8.163 38.204 ( 2.158 -4.029 -4.801) 6.629 92.215 ( -0.579 0.392 -0.727) 1.008 93.628 ( -1.940 0.336 3.550) 4.059 93.732 ( -0.167 2.247 0.315) 2.275 96.033 ( 1.816 0.273 -5.036) 5.360 96.114 ( 1.892 -0.710 -4.972) 5.367 97.460 ( 3.096 -17.112 40.570) 44.140 ======================= Grid point 280 (81/188) ======================= q-point: (-0.40 0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -5.227 0.604 9.084) 10.498 2.217 ( -8.186 4.883 10.362) 14.079 2.318 ( 1.874 -7.484 -3.591) 8.510 3.677 ( -1.550 -3.890 20.074) 20.506 4.340 ( -8.990 -4.611 1.185) 10.173 4.573 ( 5.073 -12.394 -3.374) 13.810 5.324 ( 2.407 5.461 -3.990) 7.179 5.772 ( 7.906 -2.011 -2.589) 8.559 6.113 ( -5.155 -6.884 1.278) 8.695 6.402 ( 0.712 8.911 -5.669) 10.586 6.844 ( 1.816 4.473 -0.529) 4.856 7.165 ( -0.326 1.196 -7.705) 7.804 8.417 ( 1.834 2.862 -6.171) 7.046 8.515 ( -1.485 2.263 -10.540) 10.882 8.587 ( 2.158 -3.170 -11.144) 11.785 10.137 ( 3.848 3.967 3.751) 6.679 10.202 ( -0.691 4.047 5.961) 7.238 10.519 ( 0.198 -2.960 0.991) 3.128 10.902 ( -3.958 1.881 0.785) 4.452 11.055 ( -2.049 2.692 5.614) 6.554 11.520 ( 1.287 -7.062 7.751) 10.564 15.186 ( -1.681 -4.568 0.232) 4.873 15.461 ( -2.449 1.008 -2.107) 3.384 15.676 ( -0.490 -2.335 -3.511) 4.245 15.977 ( 1.256 3.749 0.350) 3.969 16.096 ( -0.725 0.302 0.342) 0.857 16.228 ( 3.281 -1.174 -1.079) 3.648 23.359 ( 0.372 -4.397 2.975) 5.322 24.209 ( 7.203 11.623 2.040) 13.825 25.376 ( 0.743 0.697 4.295) 4.414 25.607 ( -6.271 -13.175 1.380) 14.657 25.776 ( 4.702 8.696 -0.891) 9.926 26.252 ( -3.671 -1.244 -0.593) 3.921 35.072 ( 1.221 3.667 -8.638) 9.463 35.496 ( -3.649 -1.296 -7.181) 8.158 36.252 ( -1.279 1.530 6.229) 6.541 36.262 ( 1.050 0.279 8.104) 8.176 36.552 ( 2.086 -2.541 5.507) 6.413 38.150 ( 0.212 -2.480 -5.970) 6.468 92.220 ( 0.185 0.828 -0.910) 1.244 93.621 ( 0.498 2.061 3.204) 3.842 93.780 ( -0.203 -0.320 1.052) 1.119 96.054 ( -1.275 -2.008 -6.231) 6.669 96.077 ( -1.017 -2.159 -2.609) 3.536 97.247 ( 4.597 -2.432 36.573) 36.941 ======================= Grid point 281 (82/188) ======================= q-point: (-0.30 0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -6.272 6.984 6.461) 11.395 2.073 ( -11.068 5.374 3.132) 12.696 2.341 ( 4.920 -3.714 5.507) 8.266 3.666 ( 0.727 0.765 16.367) 16.401 4.173 ( -2.733 -5.749 2.335) 6.780 4.558 ( 8.399 -14.584 -2.916) 17.081 5.407 ( 0.088 6.269 -6.814) 9.260 5.869 ( 5.329 -4.472 -10.212) 12.356 5.933 ( -5.985 -4.982 10.212) 12.843 6.506 ( 0.669 7.538 -5.663) 9.453 6.942 ( 4.253 4.747 -1.286) 6.501 7.121 ( -3.987 -2.078 -4.235) 6.176 8.469 ( 0.953 2.075 -9.130) 9.411 8.493 ( -2.158 0.852 -6.182) 6.603 8.600 ( 1.258 -1.237 -11.137) 11.276 10.186 ( -3.976 3.160 5.603) 7.562 10.241 ( 3.059 3.646 -0.057) 4.760 10.485 ( -0.200 -4.346 1.361) 4.559 10.920 ( 0.091 5.279 0.534) 5.307 11.070 ( 1.462 4.158 9.369) 10.354 11.437 ( -1.256 -9.301 6.847) 11.618 15.138 ( 0.701 -3.478 -0.783) 3.633 15.451 ( -1.132 3.007 -1.830) 3.698 15.644 ( -0.312 -2.382 -3.204) 4.005 16.021 ( -0.622 3.687 0.064) 3.739 16.091 ( 0.094 0.098 0.534) 0.551 16.250 ( 2.086 -3.705 -1.083) 4.387 23.331 ( 2.538 -5.782 2.935) 6.963 24.439 ( 2.304 13.227 1.564) 13.517 25.339 ( -4.807 -10.406 4.232) 12.219 25.405 ( 2.286 -3.797 3.239) 5.490 25.941 ( 2.228 7.417 -0.767) 7.782 26.172 ( -3.738 -0.218 -1.407) 4.000 35.143 ( 0.936 5.242 -8.461) 9.997 35.412 ( -3.663 -1.154 -7.591) 8.507 36.245 ( -1.242 1.527 6.771) 7.052 36.289 ( 1.002 0.937 7.875) 7.993 36.554 ( 2.244 -4.484 5.405) 7.373 38.135 ( 1.224 -2.916 -6.145) 6.911 92.228 ( -0.110 0.714 -0.760) 1.048 93.653 ( 0.419 2.385 3.003) 3.858 93.762 ( -1.105 -0.658 1.148) 1.724 96.018 ( -0.944 -0.954 -6.571) 6.706 96.057 ( 1.000 -2.007 -2.907) 3.672 97.289 ( 4.968 -6.184 37.205) 38.042 ======================= Grid point 282 (83/188) ======================= q-point: (-0.20 0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -3.998 9.801 4.480) 11.494 2.001 ( -4.631 8.494 5.191) 10.979 2.388 ( 4.118 -2.965 5.567) 7.533 3.672 ( -0.101 -0.682 17.048) 17.062 4.183 ( 6.858 0.348 0.640) 6.897 4.564 ( 9.483 -15.339 -1.977) 18.142 5.433 ( -3.726 4.147 -8.730) 10.358 5.724 ( -6.848 -4.076 2.350) 8.308 5.996 ( 7.090 -0.262 -0.906) 7.153 6.542 ( -2.750 2.792 -5.596) 6.832 7.004 ( -5.268 -3.903 -0.691) 6.593 7.069 ( 3.959 4.681 -4.782) 7.776 8.465 ( -2.074 1.651 -6.824) 7.320 8.490 ( -0.566 1.018 -10.410) 10.475 8.594 ( -0.325 -1.641 -8.655) 8.816 10.144 ( -3.985 2.755 3.525) 5.991 10.295 ( -1.588 2.448 0.579) 2.975 10.453 ( 1.973 -2.922 2.651) 4.411 10.947 ( -0.321 1.699 0.937) 1.967 11.205 ( 5.403 6.582 12.543) 15.161 11.310 ( -1.701 -8.711 3.109) 9.405 15.141 ( 3.001 -2.381 -0.810) 3.915 15.474 ( 0.047 2.741 -1.900) 3.335 15.628 ( 0.856 -1.279 -3.243) 3.590 16.022 ( -2.619 2.216 0.521) 3.470 16.102 ( 0.391 0.658 0.369) 0.849 16.231 ( 0.560 -4.073 -1.267) 4.302 23.336 ( 4.385 -5.214 2.911) 7.409 24.437 ( -13.007 4.680 1.156) 13.872 25.296 ( 6.634 -1.965 4.224) 8.107 25.438 ( 5.734 -2.707 4.034) 7.515 25.926 ( -8.622 2.203 0.048) 8.899 26.185 ( 3.049 2.619 -2.556) 4.764 35.154 ( -4.197 1.751 -8.331) 9.492 35.403 ( 2.246 2.583 -7.693) 8.420 36.241 ( -0.868 1.422 7.452) 7.636 36.305 ( -0.070 0.279 7.222) 7.227 36.544 ( 1.962 -4.424 5.334) 7.202 38.135 ( 1.892 -2.517 -6.121) 6.883 92.229 ( -0.471 0.444 -0.743) 0.985 93.663 ( -1.573 0.787 3.267) 3.710 93.749 ( 0.108 0.699 0.899) 1.143 96.010 ( 0.767 -0.091 -5.139) 5.196 96.068 ( 2.069 -1.461 -4.335) 5.021 97.288 ( 2.818 -7.395 37.170) 38.003 ======================= Grid point 283 (84/188) ======================= q-point: (-0.10 0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 1.417 6.204 7.213) 9.619 2.080 ( 0.837 12.399 6.476) 14.013 2.416 ( 3.820 -5.068 2.442) 6.800 3.691 ( 5.026 -2.119 20.558) 21.269 4.363 ( 9.163 5.437 -1.075) 10.709 4.576 ( 8.358 -12.901 -1.707) 15.466 5.351 ( -6.307 -1.604 -5.070) 8.249 5.634 ( -4.500 4.968 0.725) 6.742 6.121 ( 7.251 0.440 -2.305) 7.621 6.468 ( -5.933 -2.307 -5.119) 8.169 6.880 ( -4.793 -2.835 -0.011) 5.568 7.145 ( -0.067 2.612 -8.079) 8.491 8.430 ( -2.658 -1.302 -6.039) 6.725 8.502 ( -0.785 4.317 -13.171) 13.883 8.565 ( -0.304 -2.043 -7.687) 7.960 10.103 ( -3.908 1.909 3.262) 5.437 10.235 ( -5.391 -0.416 4.884) 7.286 10.496 ( 3.386 0.393 2.004) 3.954 10.971 ( 3.412 -1.716 1.342) 4.048 11.151 ( -3.477 -7.032 5.073) 9.342 11.404 ( 5.353 6.930 7.755) 11.697 15.191 ( 5.000 -1.337 0.094) 5.176 15.494 ( 0.991 -0.298 -2.134) 2.371 15.655 ( 2.247 0.998 -3.568) 4.333 15.979 ( -3.973 0.641 0.890) 4.122 16.110 ( 0.034 0.113 0.436) 0.452 16.199 ( -1.169 -1.269 -1.537) 2.311 23.369 ( 4.023 -3.515 2.903) 6.079 24.202 ( -14.060 0.267 1.729) 14.168 25.363 ( 0.537 0.894 4.157) 4.286 25.590 ( 8.788 0.741 2.341) 9.125 25.778 ( -6.234 0.165 -0.030) 6.237 26.262 ( 3.020 1.362 -1.856) 3.797 35.083 ( -3.708 -0.241 -8.541) 9.314 35.488 ( 3.016 3.180 -7.219) 8.445 36.243 ( -0.334 1.062 7.939) 8.017 36.290 ( -0.832 -1.403 6.402) 6.606 36.538 ( 0.952 -1.997 5.414) 5.848 38.150 ( 2.031 -1.393 -5.930) 6.421 92.221 ( -0.769 0.124 -0.882) 1.177 93.630 ( -2.058 -0.211 3.399) 3.979 93.767 ( 0.265 1.267 0.884) 1.567 96.041 ( 2.391 0.679 -3.651) 4.416 96.095 ( 2.502 -1.202 -5.194) 5.889 97.246 ( -0.222 -5.117 36.524) 36.882 ======================= Grid point 290 (85/188) ======================= q-point: (-0.40 0.60 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 1.443 3.041 4.272) 5.439 2.163 ( 5.041 -6.903 -1.185) 8.629 2.289 ( -6.410 1.736 8.242) 10.585 3.665 ( 1.329 2.359 16.848) 17.064 4.245 ( -5.798 -6.452 1.344) 8.778 4.341 ( -3.629 -8.470 -3.102) 9.723 5.466 ( 2.652 8.037 -6.489) 10.664 5.732 ( 4.988 -1.846 -4.954) 7.269 5.978 ( -5.431 -6.241 3.520) 8.991 6.557 ( 1.904 5.939 -5.385) 8.240 6.941 ( 1.071 5.182 0.330) 5.302 7.133 ( -0.691 -4.036 -4.626) 6.178 8.468 ( 1.167 2.202 -7.291) 7.705 8.537 ( 0.046 -0.343 -7.456) 7.464 8.562 ( 0.698 0.587 -10.969) 11.007 10.201 ( 4.790 2.732 1.009) 5.606 10.282 ( -2.224 3.838 4.280) 6.164 10.442 ( -0.555 -4.640 0.376) 4.688 10.961 ( 1.550 3.862 0.967) 4.272 11.135 ( -4.391 5.105 7.711) 10.237 11.347 ( 0.711 -10.040 8.776) 13.354 15.115 ( -1.571 -2.504 -1.507) 3.318 15.493 ( -0.154 1.966 -2.093) 2.876 15.621 ( -0.607 -2.865 -3.082) 4.252 16.048 ( 1.961 3.105 0.265) 3.682 16.102 ( -0.962 0.394 0.346) 1.096 16.195 ( 0.195 -1.908 -1.252) 2.290 23.282 ( -1.935 -3.003 2.785) 4.530 24.487 ( 9.024 15.526 1.987) 18.068 25.291 ( -6.438 -14.764 1.873) 16.216 25.397 ( -2.293 -1.065 5.110) 5.701 25.951 ( 5.135 7.954 -0.924) 9.513 26.209 ( -2.187 -3.084 -1.107) 3.939 35.167 ( 2.731 5.542 -8.343) 10.382 35.434 ( -2.195 -4.526 -7.372) 8.924 36.269 ( 1.544 0.424 7.867) 8.028 36.288 ( -1.071 1.673 6.889) 7.169 36.503 ( -0.641 -2.136 5.500) 5.935 38.110 ( -0.841 -1.472 -6.669) 6.881 92.233 ( 0.255 0.506 -0.777) 0.962 93.666 ( 0.941 2.391 2.987) 3.940 93.762 ( -0.265 -1.433 1.430) 2.042 96.017 ( -0.056 -1.389 -4.295) 4.514 96.044 ( -1.654 -1.363 -4.897) 5.346 97.218 ( -0.383 -0.705 35.476) 35.485 ======================= Grid point 292 (86/188) ======================= q-point: (-0.30 0.60 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -3.480 7.088 1.053) 7.966 2.096 ( -1.054 -2.695 -1.753) 3.383 2.289 ( 2.317 -1.173 10.462) 10.780 3.714 ( -1.633 2.674 15.211) 15.530 4.127 ( -0.393 1.763 0.435) 1.858 4.280 ( 6.593 -11.983 -1.806) 13.796 5.559 ( -3.230 7.982 -8.592) 12.164 5.735 ( 0.574 -6.911 -9.016) 11.374 5.892 ( 2.037 -0.984 8.911) 9.194 6.615 ( -1.395 3.086 -5.641) 6.580 7.016 ( 1.423 1.849 -0.492) 2.385 7.062 ( -1.123 -2.245 -2.209) 3.343 8.496 ( -0.541 0.727 -8.093) 8.143 8.527 ( -1.131 2.230 -8.298) 8.666 8.572 ( 0.855 -1.761 -8.719) 8.936 10.252 ( -4.671 3.384 1.916) 6.078 10.306 ( 3.075 2.440 -0.954) 4.040 10.387 ( 0.841 -4.945 2.630) 5.664 11.025 ( -3.868 4.824 -0.784) 6.232 11.159 ( 5.446 4.534 10.877) 12.982 11.244 ( -1.087 -9.499 8.838) 13.020 15.090 ( 0.770 -1.277 -2.156) 2.621 15.515 ( -1.193 3.128 -2.247) 4.032 15.589 ( 1.113 -2.884 -2.771) 4.151 16.087 ( -2.023 1.501 0.235) 2.530 16.100 ( 0.564 2.003 0.065) 2.082 16.175 ( 1.397 -3.514 -1.001) 3.912 23.251 ( 1.283 -2.134 2.710) 3.680 24.711 ( -7.457 13.073 1.738) 15.150 25.074 ( 7.031 -12.928 2.285) 14.893 25.390 ( 0.351 -0.214 5.099) 5.116 26.058 ( -2.798 4.225 -0.681) 5.113 26.151 ( 1.283 -1.682 -1.251) 2.458 35.248 ( -2.406 4.691 -8.044) 9.618 35.363 ( 1.579 -3.239 -7.647) 8.454 36.277 ( -1.301 1.526 7.471) 7.736 36.301 ( 0.682 -0.008 7.613) 7.643 36.482 ( 1.084 -2.253 5.349) 5.905 38.095 ( 0.615 -1.070 -6.937) 7.046 92.238 ( -0.148 0.273 -0.727) 0.791 93.698 ( -0.785 1.886 2.680) 3.369 93.740 ( 0.409 -1.294 1.824) 2.274 96.007 ( -0.332 -0.023 -5.016) 5.027 96.025 ( 1.081 -1.218 -4.430) 4.720 97.212 ( 1.045 -1.822 35.178) 35.241 ======================= Grid point 327 (87/188) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.000 0.000 23.870) 23.870 1.472 ( 0.000 0.000 23.870) 23.870 2.258 ( 0.000 -0.000 29.559) 29.559 4.277 ( 0.000 0.000 16.900) 16.900 5.263 ( 0.000 -0.000 -2.176) 2.176 5.484 ( 0.000 -0.000 -4.259) 4.259 5.484 ( -0.000 0.000 -4.259) 4.259 5.915 ( -0.000 0.000 3.150) 3.150 5.915 ( 0.000 0.000 3.150) 3.150 6.331 ( 0.000 0.000 -21.058) 21.058 6.331 ( 0.000 0.000 -21.058) 21.058 6.686 ( 0.000 0.000 32.688) 32.688 8.225 ( -0.000 0.000 -7.016) 7.016 8.225 ( 0.000 0.000 -7.016) 7.016 8.772 ( 0.000 -0.000 -12.016) 12.016 10.206 ( 0.000 0.000 2.331) 2.331 10.206 ( 0.000 0.000 2.331) 2.331 10.567 ( 0.000 0.000 3.710) 3.710 11.003 ( 0.000 0.000 10.603) 10.603 11.003 ( 0.000 -0.000 10.603) 10.603 11.403 ( 0.000 -0.000 -28.704) 28.704 15.370 ( 0.000 0.000 1.034) 1.034 15.370 ( 0.000 -0.000 1.034) 1.034 15.810 ( 0.000 0.000 -1.160) 1.160 15.810 ( 0.000 0.000 -1.160) 1.160 16.097 ( 0.000 0.000 0.718) 0.718 16.625 ( -0.000 0.000 0.994) 0.994 24.221 ( 0.000 0.000 1.448) 1.448 24.221 ( 0.000 0.000 1.448) 1.448 25.489 ( 0.000 0.000 5.501) 5.501 25.573 ( 0.000 0.000 -0.537) 0.537 25.573 ( 0.000 0.000 -0.537) 0.537 25.866 ( 0.000 0.000 -7.359) 7.359 34.834 ( 0.000 0.000 -7.325) 7.325 34.834 ( 0.000 0.000 -7.325) 7.325 36.319 ( 0.000 -0.000 5.190) 5.190 36.319 ( 0.000 0.000 5.190) 5.190 37.078 ( 0.000 0.000 6.844) 6.844 38.468 ( 0.000 0.000 -8.038) 8.038 92.216 ( 0.000 0.000 -0.127) 0.127 93.628 ( 0.000 0.000 4.238) 4.238 93.628 ( -0.000 -0.000 4.238) 4.238 95.884 ( 0.000 0.000 -9.225) 9.225 95.884 ( 0.000 0.000 -9.225) 9.225 99.990 ( -0.000 0.000 -0.005) 0.005 ======================= Grid point 328 (88/188) ======================= q-point: ( 0.10 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 4.130 2.018 23.237) 23.687 1.602 ( 6.731 5.697 22.775) 24.422 2.326 ( 5.704 3.251 26.078) 26.891 4.266 ( -1.692 0.606 16.274) 16.373 5.044 ( -13.895 -8.527 -3.923) 16.768 5.378 ( -8.537 -0.712 -2.566) 8.943 5.545 ( -1.492 -1.588 -1.174) 2.475 5.918 ( 2.331 4.560 3.191) 6.034 6.000 ( 4.147 -0.587 0.279) 4.197 6.176 ( -0.441 -5.190 -23.860) 24.422 6.520 ( 3.928 7.800 -13.784) 16.318 6.701 ( 3.199 -2.852 26.106) 26.455 8.155 ( -1.188 -1.961 -6.663) 7.046 8.307 ( 2.633 2.219 -6.448) 7.310 8.726 ( -3.931 -2.072 -10.885) 11.757 10.168 ( 0.037 -1.328 3.069) 3.344 10.251 ( 0.431 1.745 2.456) 3.043 10.578 ( 0.787 0.483 3.280) 3.407 10.953 ( -4.731 1.508 6.956) 8.546 11.014 ( 1.368 -3.472 5.498) 6.645 11.452 ( 4.286 2.286 -19.267) 19.870 15.346 ( -0.876 0.604 1.342) 1.713 15.415 ( 2.398 0.736 0.818) 2.638 15.751 ( -4.917 0.206 -0.738) 4.976 15.835 ( 1.897 -1.341 -1.358) 2.691 16.095 ( -0.097 -0.175 0.672) 0.701 16.574 ( -3.861 -2.765 0.843) 4.823 24.114 ( -7.241 -6.271 1.703) 9.729 24.218 ( -1.572 0.793 1.404) 2.252 25.460 ( -1.300 -1.848 4.344) 4.896 25.561 ( 2.027 -2.516 0.134) 3.234 25.690 ( 7.471 4.915 -0.540) 8.959 25.871 ( -1.379 3.278 -5.708) 6.725 34.825 ( 0.232 -0.745 -7.278) 7.320 34.892 ( 3.884 3.059 -7.607) 9.073 36.315 ( 0.063 0.249 5.337) 5.343 36.339 ( 1.340 0.581 5.220) 5.420 37.047 ( -2.687 -1.616 6.778) 7.468 38.419 ( -4.167 -2.207 -7.421) 8.792 92.211 ( -0.409 -0.332 -0.025) 0.527 93.617 ( 0.503 -0.948 4.258) 4.392 93.669 ( 2.026 2.230 4.001) 5.009 95.862 ( -0.938 0.240 -9.195) 9.246 95.925 ( 2.382 1.048 -9.072) 9.438 99.715 ( -22.355 -13.044 8.044) 27.103 ======================= Grid point 329 (89/188) ======================= q-point: ( 0.20 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 10.488 6.665 18.770) 22.511 1.794 ( 7.204 8.369 20.901) 23.639 2.486 ( 7.230 4.521 19.176) 20.986 4.233 ( -4.020 2.858 14.546) 15.359 4.723 ( -13.689 -6.535 -4.701) 15.880 5.188 ( -10.897 -3.080 0.056) 11.324 5.432 ( -8.267 -0.962 -4.245) 9.343 5.954 ( -4.921 4.154 -4.773) 8.016 6.043 ( 5.634 -5.496 1.505) 8.013 6.240 ( 9.129 -2.474 -17.125) 19.563 6.587 ( -3.397 7.282 7.024) 10.672 6.763 ( 8.744 -6.166 2.485) 10.984 8.148 ( 2.052 -1.285 -6.529) 6.964 8.354 ( 1.000 0.890 -4.383) 4.583 8.615 ( -5.736 -2.425 -9.108) 11.033 10.178 ( 2.684 -1.966 4.599) 5.676 10.254 ( -1.828 1.759 2.995) 3.925 10.597 ( 0.571 0.711 2.071) 2.263 10.867 ( -5.333 0.504 -2.341) 5.846 11.026 ( 2.716 -1.421 5.636) 6.416 11.562 ( 4.955 2.467 -8.011) 9.737 15.353 ( 0.022 2.180 1.372) 2.576 15.452 ( 0.446 0.593 1.998) 2.131 15.660 ( -5.401 0.923 -1.265) 5.624 15.855 ( 2.283 -1.779 -1.658) 3.335 16.091 ( 0.007 -0.417 0.584) 0.718 16.458 ( -5.134 -4.439 -0.129) 6.788 23.888 ( -10.190 -7.391 2.361) 12.808 24.188 ( -1.556 -1.163 1.573) 2.500 25.425 ( 0.963 -4.636 3.557) 5.923 25.579 ( 3.666 -4.558 0.665) 5.888 25.811 ( -1.174 4.679 -6.309) 7.942 25.959 ( 5.785 9.651 1.964) 11.422 34.828 ( 0.686 -0.280 -7.357) 7.394 35.018 ( 6.370 4.266 -7.612) 10.803 36.324 ( 0.438 0.714 5.436) 5.501 36.372 ( 1.657 0.557 5.629) 5.894 36.959 ( -4.745 -3.011 6.584) 8.656 38.301 ( -6.224 -2.869 -6.626) 9.533 92.200 ( -0.279 -0.522 0.112) 0.602 93.625 ( 1.399 -0.785 4.374) 4.659 93.733 ( 2.450 2.433 3.582) 4.975 95.858 ( -0.476 1.386 -9.326) 9.441 95.978 ( 2.272 1.361 -8.432) 8.838 99.095 ( -29.034 -17.386 21.909) 40.314 ======================= Grid point 330 (90/188) ======================= q-point: ( 0.30 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 12.591 9.918 12.417) 20.275 1.999 ( 6.164 9.301 17.768) 20.982 2.612 ( 1.904 3.044 13.854) 14.312 4.194 ( -5.047 5.083 11.010) 13.135 4.484 ( -8.610 -1.679 -3.162) 9.325 4.965 ( -11.934 -1.954 0.339) 12.098 5.288 ( -7.216 -0.196 -5.791) 9.254 5.840 ( -9.153 -1.278 -11.128) 14.466 6.103 ( 6.955 -4.383 3.044) 8.767 6.334 ( 3.252 -1.985 -4.930) 6.230 6.609 ( 1.402 1.889 4.067) 4.698 6.851 ( 8.025 -5.465 -4.319) 10.626 8.186 ( 3.180 -1.013 -7.536) 8.242 8.353 ( -0.430 -2.334 -0.944) 2.554 8.512 ( -4.158 0.140 -8.219) 9.212 10.192 ( 1.125 -3.810 2.390) 4.636 10.245 ( 0.316 0.865 6.859) 6.920 10.607 ( -0.295 0.944 0.658) 1.188 10.813 ( -1.988 1.852 -4.340) 5.121 11.068 ( 2.309 0.976 4.823) 5.435 11.650 ( 2.811 1.489 -2.423) 3.999 15.389 ( 0.966 3.246 1.148) 3.576 15.418 ( -5.310 1.817 3.578) 6.656 15.621 ( -0.328 1.084 -2.769) 2.991 15.876 ( 2.218 -1.907 -1.937) 3.508 16.089 ( 0.258 -0.553 0.449) 0.758 16.324 ( -4.898 -4.783 -1.620) 7.035 23.653 ( -8.796 -6.219 2.539) 11.067 24.147 ( -0.706 -3.038 1.998) 3.704 25.401 ( 2.861 -6.793 2.544) 7.797 25.586 ( 3.563 -6.679 1.365) 7.692 25.828 ( -4.614 10.575 -4.367) 12.336 26.153 ( 5.765 6.969 1.473) 9.163 34.842 ( 0.798 0.365 -7.497) 7.548 35.182 ( 7.409 4.546 -6.943) 11.125 36.341 ( 0.469 0.940 5.466) 5.566 36.401 ( 1.274 0.133 6.287) 6.416 36.835 ( -5.443 -3.765 6.301) 9.138 38.169 ( -5.915 -2.034 -6.704) 9.169 92.193 ( 0.181 -0.600 0.113) 0.637 93.647 ( 1.677 -0.360 4.611) 4.920 93.791 ( 1.872 1.477 3.405) 4.157 95.872 ( -0.040 2.358 -9.600) 9.886 96.023 ( 1.051 1.669 -7.480) 7.736 98.479 ( -22.744 -14.655 30.085) 40.462 ======================= Grid point 331 (91/188) ======================= q-point: ( 0.40 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 2.118 8.154 14.785) 17.017 2.236 ( 9.678 10.213 6.141) 15.352 2.596 ( -5.092 0.640 12.588) 13.594 4.161 ( -4.490 5.061 5.329) 8.612 4.420 ( -0.957 5.540 1.867) 5.924 4.751 ( -12.639 1.485 -0.665) 12.743 5.194 ( -2.895 -1.181 -4.143) 5.190 5.654 ( -9.544 -2.324 -14.772) 17.740 6.187 ( 7.467 -3.789 2.228) 8.665 6.321 ( -1.592 -2.027 3.666) 4.481 6.663 ( 4.605 -2.319 -2.871) 5.902 6.920 ( 6.024 -5.640 -5.376) 9.849 8.219 ( 1.691 -1.239 -8.730) 8.978 8.313 ( 0.251 -3.702 -0.036) 3.711 8.479 ( -1.470 1.744 -5.432) 5.892 10.151 ( -1.092 -3.248 0.799) 3.519 10.267 ( 2.731 -3.149 7.925) 8.954 10.615 ( -0.531 2.338 1.389) 2.770 10.834 ( 1.277 3.264 -5.089) 6.180 11.117 ( 1.269 2.405 3.954) 4.799 11.679 ( -0.517 0.145 0.429) 0.688 15.343 ( -5.532 3.341 2.076) 6.788 15.447 ( 1.302 4.178 1.677) 4.687 15.638 ( 0.393 0.973 -2.473) 2.686 15.891 ( 2.163 -2.514 -1.903) 3.824 16.089 ( 0.523 -0.633 -0.123) 0.830 16.205 ( -3.703 -3.970 -2.581) 6.011 23.484 ( -4.677 -3.986 2.151) 6.511 24.109 ( 0.341 -3.872 2.420) 4.579 25.390 ( 3.918 -7.224 1.641) 8.381 25.572 ( 2.780 -7.078 2.553) 8.021 25.864 ( -4.642 12.319 -2.764) 13.451 26.273 ( 1.979 3.716 0.391) 4.228 34.860 ( 0.599 0.688 -7.641) 7.696 35.339 ( 5.494 3.567 -6.071) 8.931 36.357 ( 0.476 0.752 5.364) 5.437 36.414 ( 0.343 -0.386 6.856) 6.876 36.717 ( -3.825 -3.191 6.130) 7.899 38.071 ( -3.897 -0.332 -7.264) 8.250 92.193 ( 0.520 -0.693 0.035) 0.867 93.672 ( 1.417 -0.091 4.889) 5.091 93.822 ( 0.719 0.213 3.468) 3.548 95.899 ( 0.083 2.786 -9.886) 10.271 96.044 ( -0.638 1.961 -6.607) 6.922 98.067 ( -11.280 -9.086 32.568) 35.644 ======================= Grid point 332 (92/188) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -6.207 3.772 11.670) 13.745 2.364 ( -6.343 3.817 4.932) 8.896 2.565 ( 3.241 3.934 14.025) 14.922 4.156 ( -2.007 6.017 3.990) 7.494 4.536 ( -0.388 10.352 4.587) 11.329 4.577 ( -6.172 4.862 -2.752) 8.325 5.164 ( 0.751 -1.503 -3.675) 4.041 5.500 ( -5.165 -1.833 -13.991) 15.026 6.248 ( -4.955 3.607 -2.744) 6.715 6.288 ( 8.707 -9.103 7.118) 14.469 6.719 ( 5.317 -3.108 -3.076) 6.884 6.933 ( 2.780 -6.854 -6.300) 9.716 8.227 ( 1.123 -1.110 -7.957) 8.112 8.291 ( 0.527 -2.975 -1.965) 3.604 8.482 ( 0.126 1.069 -2.248) 2.492 10.103 ( -0.751 -2.999 -0.096) 3.093 10.272 ( 2.384 -4.374 6.930) 8.534 10.630 ( -1.209 3.401 3.097) 4.756 10.916 ( 3.960 3.781 -7.338) 9.155 11.154 ( 0.378 1.986 3.939) 4.428 11.633 ( -4.182 -1.332 2.378) 4.992 15.308 ( -3.267 4.823 0.962) 5.904 15.506 ( 0.594 3.711 2.157) 4.333 15.641 ( -1.449 1.257 -2.317) 3.009 15.904 ( 2.672 -3.319 -1.200) 4.426 16.096 ( 1.450 -1.324 -2.552) 3.220 16.128 ( -1.867 -1.608 -1.326) 2.798 23.426 ( 0.952 -1.117 1.660) 2.216 24.087 ( 1.290 -3.372 2.606) 4.452 25.394 ( 4.549 -6.470 1.387) 8.030 25.544 ( 2.388 -7.327 3.826) 8.603 25.902 ( -5.056 11.858 -1.925) 13.034 26.295 ( -1.940 0.982 -0.737) 2.296 34.873 ( 0.293 0.492 -7.742) 7.763 35.408 ( -0.573 0.521 -5.671) 5.724 36.378 ( 1.392 0.414 5.004) 5.211 36.409 ( -0.377 -0.194 7.129) 7.142 36.657 ( -0.272 -1.290 6.237) 6.375 38.036 ( -0.882 1.612 -7.515) 7.737 92.195 ( 0.565 -0.782 -0.018) 0.965 93.689 ( 0.778 -0.350 5.070) 5.141 93.821 ( -0.486 -0.630 3.523) 3.612 95.925 ( -0.394 2.695 -9.930) 10.297 96.041 ( -1.867 1.755 -6.355) 6.852 97.924 ( 1.237 -2.356 32.876) 32.983 ======================= Grid point 334 (93/188) ======================= q-point: (-0.40 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -13.365 -0.652 11.120) 17.399 2.230 ( -9.631 -0.363 13.466) 16.559 2.659 ( 1.001 3.108 11.094) 11.564 4.219 ( 0.616 8.662 6.581) 10.896 4.433 ( -7.832 5.296 -0.653) 9.477 4.797 ( 9.255 11.635 -0.620) 14.880 5.178 ( 0.028 2.430 -6.984) 7.395 5.472 ( 4.495 -1.625 -6.693) 8.224 6.169 ( -5.076 -0.201 0.239) 5.086 6.344 ( 5.086 -5.757 -0.270) 7.687 6.760 ( 1.822 -4.905 -2.004) 5.603 6.910 ( 3.640 -5.181 -6.178) 8.846 8.213 ( -2.315 -1.899 -6.464) 7.124 8.293 ( 3.463 -1.344 -3.892) 5.380 8.501 ( 0.832 0.755 -0.942) 1.466 10.071 ( 0.120 -2.291 -0.600) 2.371 10.269 ( 1.731 -2.908 6.108) 6.982 10.638 ( -1.488 2.918 3.999) 5.169 11.022 ( 2.378 4.882 -11.314) 12.550 11.169 ( 1.553 -1.755 4.421) 5.004 11.519 ( -6.669 -2.001 4.562) 8.324 15.322 ( -1.079 5.034 0.502) 5.173 15.531 ( -1.211 2.369 2.346) 3.547 15.619 ( -2.530 1.922 -2.386) 3.973 15.909 ( 1.845 -3.971 -0.339) 4.392 16.093 ( 0.213 -1.505 -1.382) 2.055 16.146 ( 4.176 1.135 -2.221) 4.864 23.496 ( 6.720 1.894 1.294) 7.101 24.089 ( 1.966 -1.835 2.508) 3.677 25.417 ( 4.969 -5.495 1.743) 7.610 25.511 ( 2.390 -7.553 4.861) 9.294 25.916 ( -6.475 10.359 -1.415) 12.298 26.234 ( -5.008 -0.688 -2.027) 5.446 34.878 ( 0.045 -0.056 -7.770) 7.770 35.330 ( -6.459 -2.773 -6.087) 9.298 36.388 ( -0.852 -0.103 5.984) 6.046 36.409 ( 0.453 -0.346 5.933) 5.960 36.693 ( 4.442 1.552 6.241) 7.816 38.073 ( 2.284 3.230 -7.155) 8.176 92.197 ( 0.447 -0.739 -0.002) 0.864 93.689 ( 0.125 -1.252 5.002) 5.158 93.796 ( -1.566 -0.677 3.497) 3.891 95.935 ( -1.557 2.514 -9.451) 9.903 96.018 ( -1.993 0.487 -7.131) 7.420 98.064 ( 13.411 5.175 32.541) 35.575 ======================= Grid point 335 (94/188) ======================= q-point: (-0.30 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -12.581 -2.729 15.875) 20.439 2.036 ( -11.298 -2.224 17.335) 20.812 2.634 ( -4.826 -1.422 13.460) 14.370 4.280 ( -4.392 7.701 12.044) 14.955 4.474 ( 6.579 7.229 -3.204) 10.286 5.067 ( 10.069 9.115 -3.972) 14.150 5.223 ( 0.566 6.738 -6.525) 9.396 5.608 ( 10.526 0.757 -1.662) 10.683 6.083 ( -3.996 -0.988 -0.173) 4.120 6.341 ( 0.939 -5.556 -2.545) 6.183 6.667 ( -4.087 -6.703 -6.639) 10.282 6.955 ( 4.066 -3.521 0.006) 5.378 8.136 ( -2.915 -2.705 -5.315) 6.638 8.365 ( 4.383 0.297 -6.119) 7.533 8.525 ( 1.173 1.533 -1.721) 2.586 10.064 ( 1.182 -1.244 -0.338) 1.749 10.277 ( 1.149 -0.480 5.879) 6.010 10.636 ( -1.337 1.400 4.347) 4.759 11.044 ( -5.648 4.766 -8.980) 11.630 11.185 ( 4.547 -7.300 -0.462) 8.613 11.403 ( -4.307 0.414 4.665) 6.363 15.351 ( -0.870 3.129 0.483) 3.284 15.516 ( -2.056 0.471 2.058) 2.947 15.611 ( -1.229 4.176 -2.094) 4.830 15.890 ( 0.695 -3.898 -0.547) 3.997 16.087 ( 0.329 -0.616 0.194) 0.724 16.269 ( 7.600 2.307 -1.473) 8.078 23.681 ( 10.893 4.091 0.944) 11.674 24.116 ( 2.137 0.128 2.235) 3.095 25.454 ( 4.311 -3.142 2.586) 5.928 25.482 ( 3.680 -8.467 5.159) 10.576 25.876 ( -8.589 7.447 -0.722) 11.390 26.123 ( -6.729 -0.837 -3.836) 7.790 34.874 ( -0.094 -0.695 -7.711) 7.743 35.164 ( -8.334 -3.912 -7.017) 11.576 36.365 ( -1.615 -0.066 6.383) 6.585 36.397 ( -0.777 -1.328 5.179) 5.403 36.818 ( 6.542 3.146 6.318) 9.623 38.171 ( 4.709 4.094 -6.583) 9.070 92.197 ( 0.400 -0.477 0.060) 0.625 93.670 ( -0.155 -2.308 4.658) 5.201 93.757 ( -2.525 -0.157 3.548) 4.357 95.920 ( -2.730 2.109 -8.652) 9.315 95.986 ( -1.354 -1.038 -8.537) 8.705 98.475 ( 24.116 12.403 30.039) 40.469 ======================= Grid point 336 (95/188) ======================= q-point: (-0.20 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -8.115 -3.115 21.147) 22.863 1.815 ( -11.135 -3.070 20.357) 23.405 2.489 ( -7.820 -4.269 18.967) 20.955 4.272 ( -2.658 4.113 14.055) 14.884 4.727 ( 12.490 8.781 -2.301) 15.441 5.296 ( 7.028 4.857 -8.604) 12.125 5.353 ( 5.710 10.141 0.016) 11.638 5.778 ( 6.322 1.128 -1.548) 6.606 6.036 ( 0.015 -0.486 0.299) 0.571 6.264 ( -2.439 -7.022 -6.355) 9.780 6.541 ( -4.481 -2.110 -7.957) 9.373 6.921 ( -2.879 -6.327 6.574) 9.568 8.092 ( 0.535 -1.110 -5.665) 5.797 8.394 ( -1.133 -1.168 -6.474) 6.676 8.604 ( 5.009 3.608 -6.033) 8.631 10.088 ( 2.315 -0.045 0.605) 2.393 10.291 ( -0.091 0.713 5.694) 5.739 10.616 ( -1.644 -0.305 3.809) 4.160 10.967 ( -5.345 1.855 -2.957) 6.383 11.144 ( -0.803 -6.010 4.820) 7.746 11.397 ( 1.042 1.144 -8.753) 8.889 15.351 ( -1.384 1.409 0.857) 2.153 15.472 ( -2.220 -1.597 0.994) 2.910 15.666 ( 1.339 5.934 -1.009) 6.167 15.863 ( 0.377 -3.305 -0.874) 3.439 16.090 ( 0.401 -0.200 0.547) 0.707 16.430 ( 7.749 2.922 0.218) 8.285 23.923 ( 11.787 4.236 0.695) 12.544 24.159 ( 1.588 1.934 1.933) 3.163 25.463 ( 0.649 -1.524 5.424) 5.671 25.512 ( 7.732 -7.243 2.178) 10.816 25.771 ( -9.491 3.216 -0.051) 10.021 26.000 ( -7.162 0.354 -5.800) 9.223 34.862 ( -0.092 -1.312 -7.563) 7.677 34.992 ( -7.258 -3.000 -7.638) 10.955 36.336 ( -1.404 -0.172 6.054) 6.217 36.366 ( -1.142 -1.253 4.953) 5.236 36.953 ( 5.340 2.810 6.569) 8.920 38.302 ( 5.553 3.929 -6.569) 9.456 92.202 ( 0.487 -0.080 0.075) 0.500 93.643 ( -0.055 -2.585 4.287) 5.006 93.709 ( -3.038 0.229 3.789) 4.862 95.890 ( -2.365 1.172 -8.543) 8.941 95.952 ( -1.185 -1.517 -9.278) 9.476 99.093 ( 29.669 16.507 21.877) 40.390 ======================= Grid point 337 (96/188) ======================= q-point: (-0.10 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -2.236 -1.465 23.920) 24.069 1.610 ( -8.711 -3.407 22.481) 24.349 2.326 ( -5.686 -3.328 26.026) 26.847 4.273 ( -0.480 1.325 16.149) 16.211 5.043 ( 14.035 7.679 -2.617) 16.211 5.425 ( 1.405 7.017 -7.265) 10.198 5.517 ( 4.296 -0.177 1.236) 4.473 5.846 ( 1.878 1.920 0.547) 2.741 6.022 ( -3.068 -2.877 3.641) 5.563 6.191 ( 3.455 -2.509 -20.474) 20.915 6.475 ( -4.400 1.022 -10.779) 11.687 6.762 ( -5.979 -6.273 20.074) 21.865 8.134 ( 3.857 1.199 -6.534) 7.681 8.324 ( -4.396 -2.075 -6.723) 8.296 8.722 ( 4.141 2.582 -10.444) 11.528 10.140 ( 3.164 0.991 1.718) 3.734 10.270 ( -2.706 -0.582 3.841) 4.735 10.582 ( -1.300 -0.714 3.343) 3.658 10.946 ( 0.484 2.636 5.320) 5.957 11.067 ( -2.201 -3.704 9.054) 10.027 11.414 ( -0.071 -0.177 -21.625) 21.626 15.347 ( -0.138 1.030 1.225) 1.606 15.417 ( -2.094 -1.872 0.729) 2.902 15.751 ( 2.112 4.242 -0.904) 4.825 15.838 ( -0.012 -2.401 -1.125) 2.652 16.095 ( 0.231 0.015 0.672) 0.711 16.569 ( 4.896 2.286 0.944) 5.485 24.134 ( 8.550 1.629 1.025) 8.764 24.202 ( 0.314 3.118 1.682) 3.556 25.470 ( 0.963 0.116 4.927) 5.022 25.566 ( 4.945 -5.098 0.774) 7.144 25.641 ( -7.271 0.946 -0.057) 7.333 25.898 ( -4.601 0.465 -6.890) 8.298 34.846 ( 0.162 -2.128 -7.357) 7.661 34.873 ( -4.434 -0.401 -7.582) 8.793 36.318 ( -0.546 -0.051 5.524) 5.552 36.337 ( -0.985 -0.814 5.025) 5.185 37.046 ( 2.842 1.576 6.774) 7.513 38.420 ( 3.970 2.491 -7.413) 8.770 92.211 ( 0.436 0.156 -0.033) 0.465 93.623 ( 0.271 -1.510 4.182) 4.455 93.662 ( -2.508 0.040 4.102) 4.808 95.872 ( -0.662 0.636 -8.949) 8.996 95.916 ( -1.309 -1.320 -9.330) 9.513 99.714 ( 22.512 12.860 8.037) 27.143 ======================= Grid point 339 (97/188) ======================= q-point: ( 0.10 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 6.904 7.521 21.210) 23.540 1.780 ( 5.768 10.971 19.724) 23.295 2.442 ( 4.532 7.926 21.460) 23.321 4.300 ( 0.048 2.749 14.451) 14.710 4.816 ( -7.606 -12.644 -5.463) 15.734 5.317 ( -7.797 -5.923 -0.135) 9.792 5.478 ( -0.489 -5.254 -0.197) 5.281 5.867 ( 5.225 -7.516 1.175) 9.229 6.077 ( 4.490 2.502 -2.755) 5.832 6.113 ( -4.880 2.699 -15.873) 16.824 6.580 ( 6.314 -1.185 -7.856) 10.148 6.764 ( -6.286 7.415 12.235) 15.627 8.101 ( 1.020 -1.933 -6.843) 7.183 8.366 ( -0.219 2.321 -4.359) 4.943 8.648 ( -2.445 -5.244 -8.918) 10.631 10.114 ( 1.221 -3.042 1.751) 3.716 10.294 ( -0.459 1.056 5.382) 5.503 10.604 ( 0.332 2.037 2.794) 3.474 10.984 ( -0.795 0.934 -4.207) 4.382 11.000 ( -4.730 3.190 7.769) 9.639 11.474 ( 5.981 -0.075 -10.019) 11.669 15.370 ( 0.930 1.604 1.456) 2.358 15.445 ( 0.793 2.218 -0.119) 2.359 15.749 ( -1.443 -0.908 -0.634) 1.819 15.803 ( -0.480 -1.122 -1.180) 1.698 16.089 ( -0.221 -0.472 0.561) 0.766 16.470 ( -3.203 -7.310 1.113) 8.058 23.938 ( -7.528 -11.136 1.581) 13.535 24.210 ( 0.048 -1.136 1.803) 2.132 25.385 ( -4.284 -5.588 2.705) 7.542 25.507 ( 1.128 -2.235 2.813) 3.766 25.819 ( 6.745 8.399 -1.620) 10.893 25.987 ( 1.774 6.655 -3.886) 7.908 34.835 ( -0.578 1.466 -7.182) 7.353 34.972 ( 4.096 5.237 -7.822) 10.265 36.330 ( 0.173 1.268 5.691) 5.833 36.356 ( 0.957 1.058 5.164) 5.357 36.983 ( -2.560 -4.770 6.627) 8.557 38.342 ( -3.077 -5.259 -6.764) 9.103 92.201 ( -0.436 -0.594 0.074) 0.740 93.612 ( -0.216 0.493 4.550) 4.582 93.718 ( 2.147 2.453 3.709) 4.938 95.886 ( -0.469 2.162 -8.873) 9.145 95.950 ( 2.284 1.375 -9.210) 9.588 99.268 ( -16.965 -29.504 18.439) 38.708 ======================= Grid point 340 (98/188) ======================= q-point: ( 0.20 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 11.826 11.268 15.140) 22.272 1.997 ( 6.316 11.181 17.153) 21.428 2.599 ( 4.332 6.266 15.687) 17.439 4.320 ( -2.865 5.547 10.270) 12.019 4.583 ( -7.217 -6.810 -5.183) 11.195 5.120 ( -9.080 -3.766 1.713) 9.978 5.383 ( -4.780 -3.490 -3.488) 6.869 5.860 ( 5.775 -11.893 2.119) 13.389 6.031 ( -7.704 2.636 -2.987) 8.673 6.219 ( 8.071 0.608 -15.255) 17.269 6.648 ( 3.551 -3.875 8.086) 9.644 6.721 ( -3.325 3.759 -6.465) 8.184 8.129 ( 2.750 0.336 -7.009) 7.537 8.351 ( -1.753 -2.142 -1.499) 3.148 8.561 ( -2.613 -2.436 -7.769) 8.551 10.115 ( 2.332 -3.437 2.288) 4.742 10.274 ( -1.949 -0.713 7.310) 7.599 10.625 ( -0.318 1.874 1.309) 2.308 10.887 ( -5.002 1.275 -5.604) 7.619 11.070 ( 1.774 5.787 4.314) 7.433 11.577 ( 5.836 -0.595 -2.994) 6.586 15.408 ( 0.820 3.076 1.263) 3.425 15.478 ( 0.271 2.152 0.290) 2.188 15.680 ( -5.011 1.093 -0.786) 5.189 15.816 ( 2.660 -2.013 -1.950) 3.864 16.080 ( -0.051 -0.678 0.349) 0.764 16.336 ( -3.577 -7.310 0.464) 8.152 23.693 ( -7.228 -11.665 2.362) 13.924 24.187 ( -2.580 1.216 2.027) 3.499 25.272 ( 0.220 -9.608 1.419) 9.715 25.508 ( 1.288 -2.297 3.610) 4.469 25.970 ( -0.053 9.445 -4.738) 10.567 26.117 ( 5.782 6.246 0.627) 8.534 34.853 ( 0.131 2.743 -7.175) 7.683 35.109 ( 5.896 4.853 -7.398) 10.632 36.348 ( 0.237 1.657 5.655) 5.897 36.384 ( 1.160 0.659 5.759) 5.912 36.871 ( -4.203 -5.767 6.368) 9.564 38.228 ( -4.331 -4.183 -6.586) 8.924 92.188 ( -0.272 -0.588 0.131) 0.661 93.625 ( 0.916 0.757 4.787) 4.933 93.773 ( 1.866 1.571 3.638) 4.380 95.904 ( -0.437 3.136 -9.362) 9.883 96.007 ( 2.473 1.467 -8.380) 8.859 98.664 ( -20.117 -24.239 27.949) 42.111 ======================= Grid point 341 (99/188) ======================= q-point: ( 0.30 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 12.033 11.895 9.792) 19.549 2.197 ( 4.422 9.988 14.502) 18.156 2.674 ( -1.445 2.846 11.977) 12.395 4.291 ( -5.691 3.690 -1.575) 6.963 4.485 ( -1.207 2.743 3.459) 4.577 4.945 ( -8.998 -0.116 1.937) 9.205 5.261 ( -5.983 -2.085 -3.484) 7.231 5.805 ( -6.291 -2.601 -14.118) 15.673 5.946 ( 5.333 -9.883 11.714) 16.228 6.333 ( 3.301 1.719 -13.125) 13.643 6.615 ( -1.275 -2.374 8.165) 8.598 6.757 ( 5.477 -3.748 -9.957) 11.967 8.184 ( 2.146 1.068 -7.732) 8.095 8.284 ( -1.321 -3.971 0.162) 4.188 8.515 ( -1.577 -0.313 -6.059) 6.268 10.115 ( 1.505 -3.723 1.785) 4.394 10.224 ( -1.405 -2.657 9.419) 9.887 10.634 ( -0.087 1.553 -0.577) 1.659 10.858 ( -0.892 2.476 -5.220) 5.846 11.155 ( 0.453 7.160 3.761) 8.101 11.647 ( 3.264 -1.567 0.019) 3.621 15.442 ( -1.482 2.601 0.213) 3.001 15.494 ( -1.326 4.963 2.362) 5.654 15.639 ( -0.541 0.734 -2.572) 2.729 15.835 ( 1.817 -2.206 -2.088) 3.539 16.072 ( 0.178 -1.505 -0.382) 1.563 16.216 ( -2.827 -5.328 -0.203) 6.035 23.483 ( -4.237 -10.149 2.432) 11.264 24.154 ( -3.950 3.689 2.375) 5.904 25.205 ( 4.269 -11.979 0.622) 12.732 25.502 ( 0.813 -2.526 4.301) 5.054 26.036 ( -2.614 9.742 -3.543) 10.691 26.258 ( 4.092 3.731 0.227) 5.542 34.886 ( -0.467 4.110 -7.277) 8.371 35.260 ( 6.809 3.077 -6.520) 9.916 36.367 ( -0.065 1.618 5.627) 5.855 36.404 ( 0.653 0.173 6.363) 6.399 36.740 ( -3.981 -5.661 6.118) 9.237 38.125 ( -3.696 -2.242 -7.069) 8.286 92.181 ( 0.120 -0.594 0.092) 0.613 93.654 ( 1.218 1.049 5.005) 5.256 93.807 ( 1.057 0.188 3.822) 3.970 95.931 ( -0.237 3.416 -9.878) 10.455 96.056 ( 1.312 1.526 -7.548) 7.812 98.166 ( -14.004 -15.932 32.127) 38.498 ======================= Grid point 342 (100/188) ======================= q-point: ( 0.40 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -1.300 6.693 12.497) 14.236 2.434 ( 6.591 9.035 4.996) 12.249 2.614 ( -6.081 1.065 13.123) 14.503 4.246 ( -3.059 4.053 -5.483) 7.473 4.565 ( 3.582 7.486 4.007) 9.216 4.804 ( -10.067 4.023 3.022) 11.255 5.160 ( -2.636 -1.522 -1.704) 3.489 5.625 ( -10.679 -1.025 -12.663) 16.596 6.012 ( 12.229 -10.224 5.892) 16.994 6.354 ( -3.334 2.873 -5.402) 6.968 6.602 ( 3.982 -4.241 -1.157) 5.932 6.796 ( 4.606 -6.495 -7.102) 10.670 8.196 ( 0.625 -1.989 -5.567) 5.944 8.266 ( 0.585 0.062 -2.219) 2.296 8.492 ( -0.642 -0.402 -4.007) 4.078 10.088 ( -0.550 -2.857 1.133) 3.122 10.191 ( 1.573 -3.884 9.510) 10.392 10.658 ( 0.790 1.541 0.067) 1.733 10.889 ( 1.422 2.289 -6.327) 6.877 11.219 ( -1.333 7.204 3.827) 8.265 11.651 ( -0.360 -2.700 1.731) 3.227 15.416 ( -3.949 3.930 -0.481) 5.593 15.541 ( 0.128 4.808 2.588) 5.462 15.658 ( 0.975 1.234 -2.940) 3.334 15.834 ( 1.375 -3.320 -1.503) 3.895 16.050 ( 0.654 -4.141 -2.487) 4.875 16.147 ( -1.604 -0.874 0.503) 1.894 23.362 ( 0.561 -7.486 2.041) 7.779 24.131 ( -4.048 5.670 2.702) 7.473 25.179 ( 6.979 -13.070 0.331) 14.820 25.488 ( 0.331 -2.313 5.033) 5.549 26.080 ( -3.236 9.323 -2.443) 10.166 26.319 ( 0.314 1.131 -0.723) 1.378 34.912 ( -1.652 4.510 -7.410) 8.830 35.376 ( 4.150 -0.077 -5.830) 7.156 36.376 ( -0.250 1.161 5.472) 5.599 36.412 ( 0.137 0.257 6.705) 6.711 36.644 ( -1.256 -4.030 6.109) 7.425 38.066 ( -1.691 -0.189 -7.553) 7.742 92.180 ( 0.401 -0.643 0.033) 0.758 93.681 ( 0.599 0.981 5.204) 5.329 93.814 ( 0.274 -0.885 3.994) 4.100 95.960 ( -0.329 3.226 -10.143) 10.649 96.077 ( -0.481 1.136 -7.146) 7.251 97.895 ( -3.663 -7.774 33.135) 34.231 ======================= Grid point 343 (101/188) ======================= q-point: (-0.50 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -10.730 2.793 10.611) 15.346 2.403 ( -10.269 0.750 9.374) 13.924 2.659 ( 3.447 4.584 11.415) 12.775 4.275 ( 0.569 6.083 -3.473) 7.028 4.619 ( -6.823 -0.407 -2.078) 7.144 4.789 ( 3.286 13.261 5.544) 14.744 5.172 ( 3.338 2.986 -0.919) 4.572 5.458 ( -5.713 -2.891 -6.994) 9.482 6.118 ( 9.083 -7.002 -1.856) 11.618 6.299 ( -4.660 1.161 -1.862) 5.151 6.658 ( 5.674 -3.220 -1.493) 6.692 6.785 ( 2.986 -7.484 -8.103) 11.427 8.209 ( 3.137 -1.283 -4.126) 5.339 8.254 ( -2.360 -0.355 -4.531) 5.122 8.491 ( 0.791 -0.088 -1.947) 2.103 10.054 ( -0.435 -1.851 0.814) 2.068 10.199 ( 2.972 -2.719 8.263) 9.193 10.679 ( -0.167 1.273 1.919) 2.309 10.946 ( 3.916 -0.256 -8.982) 9.801 11.247 ( -3.501 6.472 3.560) 8.175 11.584 ( -3.766 -3.116 3.362) 5.933 15.402 ( -2.582 4.572 -1.062) 5.357 15.570 ( -1.087 2.232 1.856) 3.100 15.681 ( -1.074 3.154 -2.225) 4.007 15.826 ( 2.417 -4.537 -0.491) 5.165 16.037 ( 2.797 -3.420 -3.402) 5.576 16.131 ( -0.462 0.957 0.938) 1.417 23.362 ( 6.308 -4.418 1.684) 7.883 24.130 ( -3.209 6.661 2.806) 7.908 25.182 ( 8.377 -12.953 0.711) 15.442 25.472 ( 0.117 -1.395 5.418) 5.596 26.105 ( -4.308 8.496 -1.752) 9.685 26.296 ( -3.078 -0.799 -1.683) 3.597 34.917 ( -2.476 3.691 -7.489) 8.709 35.376 ( -2.149 -3.476 -5.795) 7.091 36.389 ( 0.423 0.627 4.967) 5.024 36.414 ( -0.454 0.521 7.089) 7.123 36.630 ( 3.045 -1.317 6.129) 6.970 38.067 ( 1.067 1.381 -7.504) 7.704 92.181 ( 0.494 -0.640 0.018) 0.809 93.687 ( -0.563 0.095 5.268) 5.299 93.805 ( -0.290 -0.871 3.988) 4.093 95.981 ( -0.809 2.823 -10.047) 10.467 96.060 ( -2.193 0.133 -7.280) 7.605 97.894 ( 8.419 -0.742 33.125) 34.186 ======================= Grid point 344 (102/188) ======================= q-point: (-0.40 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -16.373 1.068 11.747) 20.180 2.221 ( -11.440 -0.432 14.352) 18.359 2.699 ( -2.428 0.956 11.817) 12.102 4.383 ( 3.750 7.167 0.086) 8.089 4.488 ( -6.174 -0.218 1.086) 6.272 4.997 ( 7.244 7.518 -2.480) 10.731 5.280 ( 0.149 7.024 -1.736) 7.237 5.442 ( 8.713 -0.251 1.469) 8.840 6.152 ( -1.141 -0.653 -7.077) 7.198 6.246 ( 0.944 -4.527 -1.737) 4.939 6.654 ( -1.159 -5.160 -2.839) 6.002 6.816 ( 6.874 -4.301 -5.028) 9.541 8.183 ( -4.428 -1.095 -5.500) 7.146 8.277 ( 5.383 -0.349 -3.715) 6.550 8.513 ( 1.418 0.606 -1.876) 2.428 10.043 ( 0.521 -0.432 0.440) 0.807 10.235 ( 3.055 -0.675 7.467) 8.096 10.674 ( -1.418 0.559 3.160) 3.509 11.002 ( 5.004 -4.694 -10.618) 12.642 11.215 ( -6.462 3.436 1.958) 7.576 11.490 ( -4.367 0.258 4.665) 6.395 15.409 ( -1.834 3.625 -0.711) 4.124 15.549 ( -2.251 -0.321 0.474) 2.323 15.688 ( -1.956 4.331 -1.463) 4.972 15.820 ( 2.134 -4.944 -0.210) 5.389 16.066 ( 1.956 -0.990 -1.093) 2.450 16.172 ( 4.811 1.398 0.179) 5.014 23.486 ( 11.529 -1.822 1.518) 11.770 24.150 ( -1.821 6.074 2.577) 6.845 25.211 ( 8.853 -10.819 1.666) 14.079 25.467 ( 0.214 -0.094 5.162) 5.167 26.089 ( -7.041 7.051 -0.942) 10.009 26.209 ( -5.051 -1.907 -3.016) 6.185 34.901 ( -2.565 1.946 -7.462) 8.127 35.256 ( -6.588 -4.127 -6.495) 10.130 36.390 ( -0.893 0.223 5.736) 5.809 36.400 ( -1.073 -0.606 6.078) 6.202 36.722 ( 7.063 1.299 6.134) 9.445 38.127 ( 3.822 2.038 -6.974) 8.210 92.184 ( 0.528 -0.498 0.057) 0.727 93.666 ( -1.224 -1.038 5.085) 5.333 93.788 ( -1.170 -0.078 3.871) 4.044 95.986 ( -1.704 2.468 -9.557) 10.017 96.009 ( -2.925 -1.190 -7.948) 8.552 98.163 ( 20.742 4.263 32.100) 38.455 ======================= Grid point 345 (103/188) ======================= q-point: (-0.30 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -15.074 1.169 16.405) 22.310 2.005 ( -12.779 -0.900 17.142) 21.400 2.603 ( -7.888 -1.152 15.603) 17.521 4.371 ( -5.423 0.814 10.995) 12.287 4.580 ( 10.683 3.132 -5.233) 12.301 5.174 ( 8.651 1.197 -3.055) 9.252 5.357 ( 3.620 5.114 -0.982) 6.342 5.668 ( 10.432 6.409 3.436) 12.717 6.103 ( -4.898 3.661 -9.553) 11.343 6.207 ( 0.591 -8.059 -3.124) 8.663 6.585 ( -2.200 -0.737 -5.736) 6.188 6.855 ( 2.560 -6.508 1.366) 7.126 8.107 ( -2.875 -0.153 -5.968) 6.626 8.362 ( 3.802 -0.485 -3.845) 5.429 8.556 ( 3.054 1.283 -4.783) 5.818 10.064 ( 1.413 1.279 0.725) 2.039 10.281 ( 2.048 0.393 6.957) 7.263 10.645 ( -1.944 -0.468 3.370) 3.918 11.013 ( 3.277 -7.449 -10.069) 12.947 11.099 ( -7.198 -0.971 4.605) 8.600 11.463 ( -2.652 5.383 -0.409) 6.015 15.400 ( -2.358 1.749 0.539) 2.984 15.497 ( -2.531 -1.424 -0.411) 2.933 15.713 ( -0.201 4.392 -0.984) 4.506 15.804 ( 1.587 -4.303 -0.589) 4.624 16.079 ( 0.656 -0.193 0.267) 0.734 16.310 ( 8.478 1.858 0.687) 8.706 23.701 ( 14.358 -0.539 1.471) 14.444 24.182 ( -0.249 3.688 2.154) 4.278 25.277 ( 8.808 -6.021 2.422) 10.941 25.478 ( 0.506 1.008 4.384) 4.526 25.987 ( -10.690 3.209 -0.790) 11.189 26.105 ( -5.612 -0.834 -3.907) 6.888 34.870 ( -1.994 -0.201 -7.317) 7.586 35.100 ( -7.626 -1.907 -7.417) 10.808 36.362 ( -1.822 -0.494 6.439) 6.710 36.378 ( -1.098 -0.268 4.906) 5.035 36.864 ( 7.316 1.412 6.361) 9.797 38.229 ( 5.786 1.579 -6.531) 8.868 92.190 ( 0.638 -0.247 0.104) 0.692 93.633 ( -1.037 -1.246 4.804) 5.070 93.760 ( -2.356 0.467 3.715) 4.424 95.942 ( -3.067 -1.291 -8.208) 8.857 95.975 ( -1.967 1.343 -9.585) 9.876 98.663 ( 31.070 5.469 27.925) 42.132 ======================= Grid point 350 (104/188) ======================= q-point: ( 0.20 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 11.457 13.353 11.444) 20.988 2.213 ( 5.469 10.449 14.234) 18.485 2.703 ( 1.505 3.555 12.288) 12.880 4.415 ( -5.006 1.371 -5.884) 7.846 4.492 ( 2.353 0.143 5.221) 5.729 5.047 ( -4.541 -3.645 -0.038) 5.823 5.329 ( -3.002 -0.885 -2.241) 3.849 5.591 ( 8.121 -14.562 5.970) 17.710 6.052 ( -10.929 -0.699 -6.822) 12.902 6.256 ( 6.869 2.774 -9.728) 12.227 6.597 ( -0.381 -0.953 1.297) 1.654 6.739 ( -4.887 -1.994 -6.112) 8.075 8.171 ( 1.981 3.518 -6.369) 7.541 8.276 ( -2.443 -4.544 -1.681) 5.426 8.523 ( -0.727 -1.733 -4.153) 4.558 10.058 ( 1.097 -2.107 1.832) 3.000 10.230 ( -2.094 -3.233 8.804) 9.610 10.661 ( -0.928 1.516 0.481) 1.842 10.914 ( -3.538 1.304 -7.586) 8.472 11.219 ( 1.780 8.195 2.869) 8.863 11.553 ( 5.146 -1.428 1.636) 5.585 15.458 ( 2.153 1.738 -0.011) 2.767 15.535 ( 0.904 3.330 -0.765) 3.534 15.702 ( -4.658 1.165 -0.059) 4.802 15.780 ( 2.309 -1.571 -2.303) 3.620 16.059 ( -0.870 -2.060 -0.630) 2.323 16.199 ( -1.662 -5.470 1.256) 5.853 23.464 ( -6.218 -10.790 2.127) 12.634 24.228 ( 1.361 2.630 2.229) 3.706 25.090 ( -4.682 -8.365 1.442) 9.694 25.476 ( 0.329 -1.184 4.740) 4.897 26.144 ( 0.272 7.721 -3.356) 8.423 26.205 ( 5.733 2.843 -0.539) 6.422 34.925 ( 1.834 4.085 -7.072) 8.371 35.206 ( 2.967 4.944 -6.824) 8.934 36.385 ( 0.075 1.944 5.994) 6.302 36.396 ( 0.720 0.492 5.848) 5.913 36.741 ( -3.483 -7.084 6.101) 9.977 38.147 ( -2.238 -3.801 -6.964) 8.244 92.178 ( -0.349 -0.420 0.097) 0.555 93.652 ( 0.657 1.797 5.081) 5.429 93.793 ( 0.891 0.436 4.013) 4.134 95.972 ( -0.414 3.470 -9.425) 10.052 96.032 ( 2.755 1.069 -8.367) 8.874 98.209 ( -11.791 -20.602 31.780) 39.667 ======================= Grid point 351 (105/188) ======================= q-point: ( 0.30 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 5.312 8.597 10.926) 14.883 2.389 ( 6.646 9.853 9.356) 15.125 2.708 ( -3.104 0.319 11.091) 11.522 4.347 ( -3.979 3.073 -10.231) 11.399 4.560 ( 2.691 2.739 2.892) 4.807 4.955 ( -4.466 0.813 2.518) 5.191 5.232 ( -6.261 -0.171 2.178) 6.631 5.679 ( 14.361 -8.787 1.356) 16.891 5.825 ( -13.011 -2.455 -7.512) 15.223 6.386 ( 4.484 3.088 -10.551) 11.873 6.532 ( -2.943 -4.706 4.411) 7.089 6.686 ( 1.480 -4.082 -8.462) 9.511 8.175 ( -1.259 -3.002 -3.822) 5.020 8.267 ( 1.635 3.274 -3.310) 4.935 8.492 ( -0.784 -2.030 -3.850) 4.422 10.058 ( 1.048 -1.852 2.911) 3.606 10.158 ( -1.761 -3.678 9.589) 10.420 10.657 ( -0.177 0.654 -2.801) 2.882 10.907 ( -0.268 2.291 -5.765) 6.209 11.313 ( -0.228 8.041 3.694) 8.852 11.600 ( 2.660 -2.965 2.422) 4.661 15.496 ( -0.620 2.732 -1.162) 3.033 15.590 ( 0.543 4.353 0.871) 4.473 15.651 ( -1.054 0.496 -1.974) 2.292 15.793 ( 0.780 -1.762 -2.134) 2.875 16.000 ( -0.894 -5.741 -1.965) 6.133 16.159 ( -0.327 -0.387 1.948) 2.013 23.294 ( -2.338 -8.257 2.130) 8.842 24.275 ( -2.337 8.093 2.366) 8.750 24.959 ( 1.736 -12.574 0.948) 12.728 25.467 ( 0.120 -1.250 5.153) 5.304 26.196 ( -1.451 6.402 -2.575) 7.051 26.304 ( 2.869 1.120 -0.957) 3.225 34.995 ( -0.354 6.569 -6.943) 9.564 35.293 ( 4.106 0.085 -6.208) 7.443 36.401 ( -0.580 1.685 6.045) 6.302 36.409 ( 0.531 0.381 6.174) 6.209 36.624 ( -2.227 -5.785 5.963) 8.601 38.086 ( -1.606 -1.657 -7.553) 7.897 92.171 ( -0.006 -0.423 0.062) 0.427 93.685 ( 0.795 1.989 5.220) 5.642 93.799 ( 0.242 -0.969 4.396) 4.508 95.999 ( -0.370 3.222 -9.877) 10.396 96.077 ( 1.325 0.555 -8.026) 8.154 97.890 ( -6.524 -11.356 33.136) 35.630 ======================= Grid point 352 (106/188) ======================= q-point: ( 0.40 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -4.473 4.969 10.518) 12.463 2.549 ( -2.480 1.750 5.313) 6.118 2.651 ( 0.212 3.009 13.774) 14.100 4.343 ( -2.034 5.752 -8.749) 10.666 4.616 ( 2.497 -2.529 -5.232) 6.325 4.918 ( -2.842 5.513 6.097) 8.697 5.176 ( -0.950 4.150 6.081) 7.423 5.583 ( -11.199 -3.343 -4.823) 12.644 5.858 ( 13.008 -4.906 -6.065) 15.168 6.403 ( -5.492 1.157 -1.397) 5.784 6.514 ( 6.551 -2.793 -5.146) 8.786 6.673 ( 2.467 -5.931 -6.282) 8.985 8.148 ( 1.470 -2.160 -2.921) 3.919 8.306 ( -1.708 3.053 -4.218) 5.480 8.467 ( 0.823 -1.913 -3.131) 3.760 10.048 ( -0.559 -1.039 3.208) 3.419 10.125 ( 2.130 -2.698 9.129) 9.755 10.669 ( 1.039 -0.221 -2.882) 3.071 10.927 ( 0.039 1.456 -6.202) 6.370 11.366 ( -2.386 6.944 3.869) 8.300 11.584 ( -0.296 -3.749 3.265) 4.980 15.493 ( -2.906 3.713 -2.072) 5.150 15.612 ( -1.196 2.088 1.142) 2.664 15.692 ( 3.164 1.312 -2.421) 4.195 15.772 ( -1.033 -1.802 -1.165) 2.382 15.950 ( 2.201 -5.135 -2.675) 6.194 16.155 ( -0.791 0.893 1.984) 2.315 23.231 ( 2.843 -5.074 1.932) 6.129 24.298 ( -5.812 10.330 2.458) 12.105 24.910 ( 7.690 -13.508 0.967) 15.574 25.458 ( 0.198 -0.844 5.410) 5.479 26.226 ( -1.953 5.501 -1.965) 6.159 26.323 ( -0.841 -0.647 -1.552) 1.880 35.027 ( -3.804 6.662 -6.968) 10.363 35.333 ( 2.461 -4.059 -5.909) 7.579 36.401 ( -0.765 1.247 5.637) 5.824 36.423 ( 0.220 0.763 6.658) 6.705 36.568 ( 1.328 -3.398 5.961) 6.989 38.064 ( 0.050 -0.062 -7.800) 7.800 92.169 ( 0.267 -0.398 0.040) 0.481 93.707 ( -0.625 1.485 5.297) 5.537 93.791 ( 0.477 -1.382 4.551) 4.780 96.020 ( -0.640 2.717 -9.918) 10.303 96.084 ( -0.622 -0.361 -8.085) 8.117 97.777 ( 2.322 -4.090 33.389) 33.719 ======================= Grid point 354 (107/188) ======================= q-point: (-0.50 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -13.017 2.993 9.882) 16.615 2.405 ( -10.351 -0.542 10.865) 15.016 2.721 ( 1.373 1.406 11.026) 11.200 4.378 ( 0.952 3.040 -7.852) 8.473 4.572 ( -3.614 -2.927 -1.090) 4.777 4.970 ( 2.627 3.446 1.247) 4.509 5.299 ( 7.841 5.070 8.760) 12.803 5.407 ( -6.968 3.220 -3.619) 8.486 5.997 ( 9.577 -6.658 -8.726) 14.567 6.321 ( -5.605 2.174 -3.721) 7.070 6.589 ( 3.968 -3.912 0.687) 5.615 6.675 ( 4.441 -2.618 -9.388) 10.710 8.182 ( 3.976 -1.059 -3.017) 5.102 8.263 ( -4.492 0.636 -4.772) 6.585 8.487 ( 2.093 -0.030 -2.484) 3.248 10.036 ( 0.072 0.118 2.530) 2.534 10.165 ( 4.031 -0.918 8.888) 9.802 10.678 ( 0.467 -1.109 -1.235) 1.724 10.931 ( 0.181 -1.023 -7.491) 7.562 11.349 ( -5.708 2.037 2.677) 6.626 11.543 ( -1.345 0.306 4.050) 4.279 15.480 ( -2.548 2.982 -1.719) 4.282 15.593 ( -2.714 0.445 -0.169) 2.755 15.728 ( 1.494 -5.096 -0.083) 5.311 15.751 ( -0.199 3.075 -2.272) 3.828 15.987 ( 5.316 -1.140 -2.208) 5.868 16.151 ( -0.211 0.823 1.991) 2.165 23.292 ( 8.291 -1.991 1.922) 8.740 24.278 ( -5.815 5.959 2.384) 8.661 24.957 ( 10.019 -7.757 1.291) 12.736 25.460 ( 0.525 -0.053 5.287) 5.313 26.234 ( -2.935 4.303 -1.479) 5.414 26.266 ( -4.249 -1.809 -2.188) 5.110 34.997 ( -5.250 3.364 -7.021) 9.390 35.295 ( -2.189 -3.593 -6.160) 7.460 36.401 ( -0.419 0.543 5.339) 5.383 36.419 ( -1.151 -0.294 6.854) 6.956 36.614 ( 5.938 -0.130 5.929) 8.392 38.086 ( 2.260 0.531 -7.523) 7.873 92.172 ( 0.423 -0.284 0.053) 0.512 93.689 ( -1.972 -0.044 5.260) 5.618 93.793 ( 0.440 -0.159 4.392) 4.417 96.023 ( -1.467 0.492 -9.935) 10.054 96.056 ( -2.140 0.364 -7.992) 8.282 97.889 ( 13.042 0.053 33.129) 35.604 ======================= Grid point 358 (108/188) ======================= q-point: (-0.10 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -6.300 5.285 21.498) 23.017 1.716 ( -3.453 8.043 22.629) 24.263 2.440 ( -4.199 7.437 20.442) 22.154 4.215 ( 3.069 -3.083 15.396) 15.999 4.798 ( 8.799 -14.990 -1.480) 17.445 5.254 ( 8.053 -5.987 -5.694) 11.538 5.412 ( 3.242 -11.431 -4.597) 12.740 5.866 ( -3.295 -3.128 -2.614) 5.242 6.079 ( -2.447 0.786 1.388) 2.921 6.276 ( -3.177 6.015 -10.951) 12.892 6.499 ( -1.893 2.950 -2.593) 4.360 6.878 ( -0.144 9.660 8.051) 12.576 8.135 ( -2.361 -0.931 -5.052) 5.653 8.363 ( 0.189 3.478 -7.725) 8.474 8.637 ( 3.031 -6.108 -7.936) 10.463 10.145 ( -2.903 -2.040 2.422) 4.296 10.267 ( 1.455 1.201 4.017) 4.438 10.598 ( -0.038 1.284 3.147) 3.399 10.884 ( 3.683 -1.252 -1.914) 4.336 11.097 ( 2.486 5.113 7.531) 9.436 11.479 ( -6.305 -0.167 -11.851) 13.425 15.331 ( 0.191 -0.348 1.192) 1.257 15.453 ( -0.161 1.620 2.269) 2.792 15.649 ( 2.995 -5.151 -1.276) 6.094 15.878 ( -0.768 2.022 -1.372) 2.562 16.095 ( -0.042 -0.010 0.637) 0.638 16.495 ( 2.392 -5.822 -0.316) 6.302 23.977 ( 7.901 -10.355 1.727) 13.139 24.196 ( -1.627 -0.088 1.073) 1.951 25.463 ( 0.248 0.156 5.012) 5.020 25.637 ( 1.537 3.887 -0.719) 4.241 25.745 ( -12.847 -1.150 2.896) 13.220 25.858 ( 5.628 4.719 -6.592) 9.869 34.857 ( 1.013 2.043 -7.664) 7.996 34.952 ( -4.553 4.680 -7.531) 9.967 36.321 ( 0.000 0.716 5.584) 5.630 36.364 ( -1.095 1.564 5.330) 5.662 36.987 ( 2.380 -4.458 6.654) 8.355 38.331 ( 3.531 -6.045 -6.735) 9.714 92.206 ( 0.207 -0.196 0.071) 0.294 93.654 ( 0.630 2.640 3.746) 4.626 93.685 ( -2.904 0.896 4.109) 5.111 95.853 ( 1.007 0.110 -9.108) 9.164 95.957 ( -1.735 1.548 -8.692) 8.998 99.277 ( 16.545 -28.777 18.552) 38.026 ======================= Grid point 362 (109/188) ======================= q-point: ( 0.30 0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 3.694 4.604 9.248) 10.971 2.539 ( 2.119 4.395 7.755) 9.162 2.688 ( -1.341 -1.820 12.338) 12.544 4.427 ( 1.900 4.457 -9.833) 10.962 4.551 ( -1.705 -3.092 -6.432) 7.337 4.963 ( -0.220 -0.039 1.539) 1.555 5.245 ( -1.118 0.250 16.325) 16.365 5.595 ( 9.545 2.134 -5.566) 11.253 5.764 ( -9.520 -4.876 -10.217) 14.792 6.408 ( 1.758 -0.831 -2.358) 3.056 6.504 ( -1.605 2.192 -4.373) 5.148 6.597 ( -1.476 -4.252 -6.395) 7.820 8.125 ( -0.930 -1.512 -2.737) 3.262 8.348 ( 2.228 4.021 -3.991) 6.088 8.439 ( -1.590 -3.012 -3.272) 4.722 10.046 ( 0.821 0.620 5.123) 5.225 10.092 ( -1.852 -2.664 8.106) 8.731 10.661 ( -0.347 -0.126 -4.604) 4.619 10.940 ( 0.301 0.860 -5.529) 5.604 11.447 ( 1.670 4.928 3.813) 6.451 11.539 ( -0.239 -2.824 3.838) 4.771 15.544 ( 1.487 1.856 -2.456) 3.419 15.641 ( 1.777 0.423 -0.624) 1.930 15.659 ( -2.684 0.178 -0.925) 2.845 15.789 ( 1.449 1.811 -1.948) 3.028 15.886 ( -2.459 -4.865 -2.067) 5.830 16.166 ( 0.367 0.513 2.470) 2.550 23.180 ( -1.719 -3.028 1.924) 3.978 24.453 ( 5.088 9.022 2.050) 10.558 24.724 ( -5.911 -10.428 1.456) 12.075 25.451 ( -0.136 -0.361 5.446) 5.459 26.285 ( 0.202 2.434 -1.913) 3.102 26.311 ( 1.142 -0.104 -1.671) 2.026 35.125 ( 3.387 5.803 -6.560) 9.390 35.260 ( -1.868 -3.091 -6.170) 7.149 36.420 ( 1.025 0.621 5.998) 6.117 36.428 ( -0.469 0.824 6.491) 6.560 36.531 ( -1.457 -3.019 5.776) 6.679 38.063 ( -0.354 -0.606 -7.905) 7.936 92.165 ( -0.103 -0.160 0.047) 0.196 93.726 ( 1.027 1.984 5.211) 5.670 93.773 ( -0.761 -1.564 4.871) 5.172 96.051 ( 0.393 1.785 -9.550) 9.723 96.077 ( 0.357 -0.439 -8.726) 8.745 97.736 ( -2.297 -3.996 33.442) 33.758 ======================= Grid point 367 (110/188) ======================= q-point: (-0.20 0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -11.365 5.119 17.471) 21.461 1.876 ( -6.686 6.600 18.894) 21.101 2.570 ( -3.207 3.675 14.997) 15.770 4.127 ( 1.747 -5.337 14.307) 15.369 4.515 ( 7.679 -11.419 -2.099) 13.920 5.025 ( 9.916 -9.032 -2.863) 13.715 5.262 ( 1.793 -8.652 -7.851) 11.820 5.844 ( 1.551 -5.388 -8.539) 10.215 6.112 ( -2.062 -1.291 -2.975) 3.843 6.373 ( -1.538 4.655 7.369) 8.851 6.601 ( -2.851 8.316 -6.575) 10.978 6.953 ( 0.878 7.409 1.527) 7.616 8.189 ( -2.795 1.927 -4.939) 5.993 8.383 ( 0.568 2.036 -7.464) 7.758 8.519 ( 3.605 -5.125 -5.349) 8.239 10.191 ( -3.776 -1.393 2.698) 4.845 10.255 ( 1.396 2.114 4.902) 5.518 10.602 ( 0.344 -0.059 2.219) 2.247 10.810 ( 2.954 -0.859 -6.126) 6.855 11.110 ( 2.077 5.486 6.624) 8.848 11.582 ( -5.702 -1.128 -4.071) 7.096 15.335 ( -1.258 -1.432 1.971) 2.742 15.415 ( 3.196 -3.074 3.636) 5.734 15.599 ( -0.776 -0.861 -2.795) 3.025 15.908 ( -0.114 2.589 -1.667) 3.082 16.096 ( 0.069 0.276 0.625) 0.686 16.384 ( 4.046 -5.035 -2.219) 6.830 23.729 ( 8.251 -10.057 2.197) 13.193 24.226 ( 0.793 4.254 1.207) 4.493 25.468 ( 0.041 1.049 5.214) 5.319 25.643 ( -1.565 -3.796 -2.528) 4.822 25.772 ( 5.515 4.481 -2.238) 7.450 25.994 ( -11.008 2.756 1.293) 11.421 34.865 ( 0.901 2.878 -7.680) 8.251 35.096 ( -6.697 4.318 -7.253) 10.775 36.332 ( -0.396 0.749 5.631) 5.695 36.399 ( -1.018 1.546 5.936) 6.218 36.883 ( 4.080 -4.924 6.425) 9.065 38.199 ( 4.447 -5.952 -6.535) 9.895 92.203 ( 0.204 0.324 0.104) 0.397 93.668 ( 0.541 2.482 4.155) 4.870 93.752 ( -3.292 0.970 3.399) 4.830 95.846 ( -0.190 -0.146 -9.207) 9.210 95.995 ( -1.428 0.280 -7.733) 7.868 98.694 ( 19.757 -22.168 28.020) 40.827 ======================= Grid point 368 (111/188) ======================= q-point: (-0.10 0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -4.428 8.070 19.007) 21.119 1.900 ( -0.581 10.086 19.038) 21.552 2.579 ( -1.179 5.675 14.756) 15.854 4.157 ( 6.293 -2.583 14.065) 15.623 4.512 ( 6.081 -13.112 -1.164) 14.500 5.106 ( 9.776 -11.588 -2.604) 15.383 5.197 ( 0.933 -6.575 -10.796) 12.675 5.767 ( -3.283 -7.509 -6.351) 10.368 6.064 ( -1.277 -0.168 2.830) 3.109 6.378 ( -3.168 4.487 1.366) 5.660 6.645 ( -3.255 9.550 -8.890) 13.447 7.005 ( -1.163 2.661 3.036) 4.201 8.145 ( -3.477 2.088 -4.682) 6.194 8.405 ( 0.019 -0.364 -9.275) 9.282 8.525 ( 2.288 -3.700 -2.123) 4.840 10.113 ( -3.366 -0.976 0.543) 3.546 10.283 ( 0.297 0.691 5.377) 5.430 10.611 ( 0.914 -0.164 4.134) 4.237 10.899 ( 6.397 1.980 -7.567) 10.105 11.214 ( 1.689 6.612 5.880) 9.008 11.444 ( -6.908 -3.053 -3.490) 8.320 15.322 ( 1.281 -1.215 1.485) 2.308 15.461 ( 3.906 -0.573 3.560) 5.315 15.584 ( 0.444 -0.969 -2.844) 3.037 15.918 ( -1.570 2.041 -1.211) 2.846 16.096 ( -0.338 0.095 0.550) 0.652 16.360 ( 0.499 -7.451 -2.108) 7.759 23.749 ( 6.421 -11.797 1.507) 13.516 24.203 ( -5.893 0.595 0.984) 6.004 25.460 ( 0.136 -0.490 5.006) 5.031 25.668 ( 3.244 -1.283 1.028) 3.637 25.736 ( -8.637 1.972 1.208) 8.941 25.997 ( 3.485 7.724 -4.171) 9.444 34.891 ( -1.227 1.316 -7.784) 7.990 35.077 ( -1.541 7.591 -7.308) 10.649 36.341 ( 0.284 1.302 6.020) 6.166 36.397 ( -1.042 1.683 5.470) 5.817 36.877 ( 1.768 -6.505 6.428) 9.315 38.200 ( 3.002 -6.781 -6.480) 9.848 92.205 ( -0.222 0.089 0.077) 0.251 93.702 ( -1.893 0.841 4.494) 4.948 93.712 ( -0.122 3.011 3.156) 4.364 95.864 ( 1.858 0.877 -8.834) 9.070 95.981 ( -0.754 0.872 -8.159) 8.240 98.692 ( 9.184 -28.298 27.996) 40.852 ======================= Grid point 378 (112/188) ======================= q-point: (-0.30 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -10.601 0.917 15.950) 19.174 2.073 ( -9.397 5.324 9.725) 14.534 2.592 ( 1.486 -1.958 12.584) 12.822 4.066 ( -0.992 -5.565 12.735) 13.933 4.344 ( 0.960 -7.121 -0.952) 7.249 4.755 ( 9.032 -11.933 -2.687) 15.205 5.193 ( -0.052 -2.289 -7.412) 7.758 5.712 ( 6.640 -5.704 -12.724) 15.444 6.134 ( -3.709 -4.505 -5.390) 7.943 6.427 ( 1.660 7.044 14.703) 16.388 6.719 ( -0.541 8.499 -6.876) 10.946 7.005 ( 0.261 5.188 -2.364) 5.708 8.246 ( -0.602 2.686 -7.274) 7.777 8.383 ( 2.017 1.886 -3.777) 4.679 8.439 ( 0.222 -2.877 -4.621) 5.448 10.204 ( 1.534 0.208 0.475) 1.619 10.290 ( -2.199 2.514 7.192) 7.930 10.585 ( 0.369 -1.736 1.417) 2.271 10.787 ( -0.770 0.266 -6.377) 6.429 11.131 ( 1.335 4.651 5.814) 7.564 11.638 ( -3.058 -2.868 -0.076) 4.193 15.287 ( 1.226 -6.749 4.116) 8.000 15.393 ( -1.822 0.971 0.297) 2.086 15.617 ( -1.175 -0.317 -2.027) 2.364 15.934 ( 0.304 3.036 -2.019) 3.659 16.098 ( 0.140 0.402 0.578) 0.718 16.267 ( 4.306 -3.679 -3.635) 6.729 23.522 ( 5.204 -7.838 2.062) 9.631 24.247 ( 4.284 8.641 1.645) 9.784 25.472 ( 1.476 1.901 4.261) 4.894 25.615 ( -5.302 -12.034 -2.793) 13.443 25.755 ( 4.994 9.567 -0.319) 10.797 26.172 ( -7.571 0.416 1.129) 7.666 34.881 ( 0.943 3.528 -7.681) 8.505 35.251 ( -7.034 2.401 -6.504) 9.876 36.348 ( -0.621 0.910 5.582) 5.689 36.423 ( -0.127 1.134 6.653) 6.750 36.764 ( 4.159 -4.269 6.162) 8.573 38.078 ( 3.140 -4.818 -7.025) 9.079 92.205 ( 0.156 0.748 0.035) 0.765 93.685 ( 0.152 2.172 4.467) 4.969 93.805 ( -1.934 0.467 3.206) 3.773 95.857 ( -1.355 -0.381 -9.279) 9.385 96.008 ( -0.891 -1.563 -6.683) 6.921 98.225 ( 14.289 -12.311 31.840) 37.007 ======================= Grid point 379 (113/188) ======================= q-point: (-0.20 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -7.585 5.227 15.981) 18.446 2.026 ( -3.573 7.498 13.516) 15.865 2.609 ( 1.393 0.103 12.260) 12.339 4.041 ( 3.277 -2.973 13.893) 14.581 4.307 ( 4.155 -9.091 -0.791) 10.026 4.806 ( 10.610 -13.140 -2.951) 17.144 5.161 ( -1.295 -0.989 -10.552) 10.678 5.722 ( 0.559 -7.121 -10.822) 12.967 6.053 ( 0.239 -2.902 -0.880) 3.042 6.479 ( -2.728 5.703 9.174) 11.141 6.795 ( -2.044 9.618 -7.739) 12.513 7.029 ( -0.524 0.286 0.108) 0.606 8.234 ( -3.489 2.661 -5.033) 6.677 8.388 ( 0.005 -2.026 -9.434) 9.649 8.467 ( 2.593 0.415 -0.515) 2.677 10.175 ( -4.052 -0.182 0.250) 4.064 10.294 ( 0.174 1.995 5.690) 6.032 10.582 ( 1.230 -1.957 3.623) 4.297 10.824 ( 3.587 1.736 -9.209) 10.034 11.235 ( 3.492 6.841 6.206) 9.875 11.521 ( -5.931 -4.656 0.627) 7.566 15.258 ( 2.515 -5.274 3.739) 6.937 15.405 ( 1.545 1.734 0.465) 2.368 15.594 ( -1.000 -0.252 -1.705) 1.992 15.960 ( -0.691 2.671 -1.707) 3.244 16.102 ( -0.100 0.262 0.616) 0.677 16.272 ( 1.806 -5.885 -3.961) 7.320 23.531 ( 6.048 -9.305 1.793) 11.242 24.333 ( -4.743 6.170 0.666) 7.810 25.448 ( -0.452 -4.015 3.508) 5.351 25.545 ( 5.329 -3.043 0.088) 6.137 25.885 ( -2.268 4.680 0.716) 5.250 26.063 ( -4.129 4.292 -0.708) 5.997 34.931 ( -0.633 3.474 -7.652) 8.428 35.181 ( -3.496 4.177 -6.815) 8.725 36.354 ( -0.171 1.457 6.022) 6.198 36.429 ( -0.734 1.354 6.122) 6.313 36.773 ( 2.862 -5.975 6.216) 9.085 38.082 ( 3.276 -5.587 -6.895) 9.460 92.212 ( -0.193 0.526 0.021) 0.561 93.715 ( 0.544 2.132 4.282) 4.814 93.770 ( -2.572 0.905 3.183) 4.191 95.850 ( 0.526 0.541 -8.742) 8.775 95.987 ( 0.029 -0.986 -7.076) 7.144 98.289 ( 10.125 -17.725 31.464) 37.505 ======================= Grid point 380 (114/188) ======================= q-point: (-0.10 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -0.304 9.856 14.021) 17.141 2.091 ( 1.410 8.705 14.885) 17.301 2.637 ( 1.703 -0.055 11.620) 11.744 4.116 ( 7.709 -1.954 13.706) 15.846 4.317 ( 6.012 -5.468 -2.560) 8.520 4.830 ( 7.961 -14.840 -1.788) 16.935 5.150 ( 0.562 0.636 -11.395) 11.427 5.603 ( -4.170 -7.856 -7.566) 11.676 6.086 ( 3.074 1.885 0.422) 3.631 6.451 ( -5.496 2.826 3.538) 7.121 6.815 ( -5.036 6.399 -5.601) 9.883 6.996 ( -2.212 -2.119 -1.563) 3.439 8.207 ( -2.763 3.553 -5.656) 7.228 8.355 ( -1.174 -2.870 -6.245) 6.972 8.499 ( 1.057 -0.431 -1.038) 1.543 10.108 ( -3.339 0.431 -0.516) 3.406 10.305 ( -1.497 1.596 4.871) 5.340 10.594 ( 2.358 -1.314 4.597) 5.330 10.927 ( 6.842 0.305 -8.693) 11.067 11.301 ( -5.482 -1.348 -0.401) 5.660 11.419 ( 0.865 4.072 6.615) 7.815 15.271 ( 3.905 -3.364 2.237) 5.619 15.469 ( 3.593 1.340 1.459) 4.103 15.585 ( 0.122 0.376 -1.904) 1.945 15.957 ( -2.398 1.769 -0.989) 3.140 16.100 ( -0.435 0.374 0.184) 0.603 16.220 ( -0.596 -6.274 -3.818) 7.369 23.540 ( 4.956 -8.901 1.469) 10.293 24.217 ( -10.453 0.842 1.166) 10.552 25.447 ( 1.138 -0.650 4.135) 4.338 25.642 ( 3.769 -1.059 1.921) 4.361 25.772 ( -5.303 1.223 0.152) 5.444 26.139 ( 2.767 6.323 -2.323) 7.282 34.909 ( -3.071 0.509 -7.754) 8.355 35.232 ( 1.395 7.582 -6.595) 10.145 36.370 ( 0.262 1.488 6.401) 6.577 36.423 ( -1.085 0.719 5.589) 5.738 36.746 ( 1.095 -6.189 6.257) 8.869 38.079 ( 2.653 -5.134 -6.928) 9.021 92.209 ( -0.607 0.225 -0.000) 0.647 93.714 ( -1.946 0.347 4.649) 5.052 93.769 ( 0.259 2.556 3.159) 4.072 95.883 ( 2.273 0.872 -8.719) 9.052 95.990 ( 0.848 0.076 -7.324) 7.373 98.222 ( 3.403 -18.535 31.810) 36.973 ======================= Grid point 389 (115/188) ======================= q-point: (-0.40 0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -3.720 -2.945 13.078) 13.912 2.248 ( -6.641 -2.507 3.015) 7.713 2.532 ( 0.875 -0.894 14.674) 14.727 4.047 ( -2.535 -4.625 11.199) 12.379 4.356 ( -7.920 -2.952 1.247) 8.544 4.503 ( 5.376 -12.972 -2.895) 14.337 5.202 ( 0.298 2.646 -6.111) 6.666 5.547 ( 5.773 -3.805 -15.579) 17.044 6.142 ( -3.582 -6.763 -4.535) 8.896 6.463 ( 3.483 9.306 13.105) 16.446 6.788 ( 0.791 6.841 -4.773) 8.379 7.034 ( 1.653 3.144 -4.555) 5.776 8.260 ( 1.105 1.939 -8.991) 9.264 8.357 ( 2.878 2.061 -2.491) 4.328 8.449 ( -2.174 -0.464 -2.404) 3.274 10.168 ( 3.193 1.290 -0.204) 3.450 10.340 ( -0.015 2.795 5.893) 6.523 10.564 ( -1.163 -3.296 2.770) 4.460 10.835 ( -3.752 0.694 -6.725) 7.732 11.162 ( 0.043 4.513 4.841) 6.619 11.625 ( 0.192 -4.808 2.350) 5.355 15.221 ( -1.092 -5.566 2.831) 6.340 15.445 ( -2.810 0.661 0.702) 2.971 15.619 ( -0.241 -1.827 -1.794) 2.572 15.959 ( 0.598 3.592 -2.087) 4.197 16.101 ( -0.141 0.396 0.095) 0.431 16.174 ( 3.266 -1.858 -4.007) 5.493 23.409 ( 0.503 -4.744 1.703) 5.065 24.249 ( 6.905 11.177 1.808) 13.262 25.455 ( 1.271 -0.014 2.577) 2.873 25.608 ( -6.531 -10.257 -0.108) 12.161 25.771 ( 3.762 8.193 0.104) 9.016 26.253 ( -2.763 -1.843 0.238) 3.330 34.900 ( 1.267 3.831 -7.687) 8.682 35.358 ( -4.112 -1.299 -5.870) 7.284 36.374 ( -0.963 1.713 5.339) 5.690 36.423 ( 1.004 0.376 7.094) 7.174 36.675 ( 1.925 -2.452 6.136) 6.883 38.007 ( 0.380 -3.075 -7.525) 8.138 92.210 ( 0.273 0.867 -0.043) 0.910 93.703 ( 0.145 1.863 4.693) 5.052 93.824 ( -0.239 -0.300 3.255) 3.278 95.879 ( -1.695 -0.695 -9.321) 9.500 95.999 ( -0.869 -2.841 -5.968) 6.667 97.979 ( 5.316 -3.435 32.425) 33.037 ======================= Grid point 390 (116/188) ======================= q-point: (-0.30 0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -6.056 1.506 13.151) 14.556 2.142 ( -3.930 1.217 6.024) 7.295 2.556 ( 2.610 -1.216 12.989) 13.304 3.997 ( 0.013 -0.894 12.875) 12.906 4.216 ( -2.708 -5.679 0.773) 6.339 4.503 ( 9.106 -13.161 -2.039) 16.133 5.215 ( -2.569 4.177 -10.058) 11.189 5.606 ( 5.145 -5.388 -13.512) 15.429 6.024 ( -1.845 -5.332 -3.739) 6.768 6.570 ( -0.475 6.733 12.252) 13.988 6.880 ( 1.594 7.127 -5.151) 8.937 7.046 ( -1.562 -0.738 -2.792) 3.283 8.288 ( -0.182 1.512 -7.902) 8.048 8.393 ( -1.621 0.105 -5.438) 5.675 8.437 ( 1.900 1.490 -1.031) 2.625 10.222 ( 0.204 1.629 -0.879) 1.862 10.320 ( -2.122 0.754 5.929) 6.343 10.534 ( 1.093 -3.323 3.017) 4.620 10.824 ( -0.356 3.153 -9.370) 9.893 11.238 ( 2.907 5.817 6.632) 9.289 11.545 ( -3.011 -6.173 3.247) 7.597 15.169 ( 1.204 -4.895 3.484) 6.128 15.428 ( -1.060 2.447 -0.327) 2.687 15.596 ( -0.262 -1.902 -1.313) 2.326 15.996 ( -0.207 3.238 -2.413) 4.044 16.104 ( 0.092 0.193 0.694) 0.726 16.190 ( 1.963 -3.877 -4.465) 6.231 23.378 ( 2.628 -6.167 1.562) 6.883 24.462 ( 1.297 12.710 0.788) 12.800 25.359 ( -1.422 -13.749 -1.821) 13.942 25.495 ( 0.337 0.523 5.034) 5.072 25.933 ( 3.061 8.006 -0.055) 8.571 26.169 ( -4.966 -0.780 0.566) 5.059 34.975 ( 0.997 5.700 -7.424) 9.413 35.265 ( -4.195 -1.058 -6.271) 7.619 36.378 ( -0.749 2.072 5.891) 6.289 36.443 ( 0.438 0.807 6.743) 6.805 36.675 ( 2.162 -4.506 6.032) 7.834 37.991 ( 1.685 -3.757 -7.503) 8.559 92.220 ( -0.043 0.686 -0.058) 0.690 93.729 ( 0.386 2.196 4.325) 4.866 93.807 ( -1.314 -0.295 3.261) 3.529 95.857 ( -0.687 0.404 -8.474) 8.512 95.965 ( 0.239 -2.584 -6.280) 6.795 98.023 ( 5.970 -7.805 32.080) 33.551 ======================= Grid point 391 (117/188) ======================= q-point: (-0.20 0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -2.632 5.748 11.410) 13.044 2.141 ( 0.620 3.771 9.604) 10.337 2.584 ( 2.329 -2.193 11.945) 12.366 4.016 ( 2.172 -0.175 14.093) 14.260 4.186 ( 4.563 -2.007 -1.632) 5.245 4.534 ( 9.537 -13.686 -0.788) 16.700 5.206 ( -3.374 4.659 -11.723) 13.059 5.578 ( -0.901 -6.916 -11.637) 13.567 6.018 ( 4.558 -0.870 -2.748) 5.393 6.577 ( -4.828 3.860 9.519) 11.350 6.943 ( -3.901 3.413 -4.562) 6.905 6.997 ( 0.172 -0.836 -2.617) 2.753 8.281 ( -2.155 1.548 -7.506) 7.961 8.363 ( -1.826 0.226 -4.276) 4.655 8.477 ( 1.331 -0.157 -1.737) 2.194 10.182 ( -4.347 0.887 -0.335) 4.449 10.338 ( 0.597 2.312 3.802) 4.490 10.533 ( 2.405 -2.728 4.643) 5.898 10.858 ( 1.517 1.329 -9.776) 9.981 11.341 ( 0.135 0.769 2.854) 2.959 11.438 ( -0.711 -0.595 6.824) 6.886 15.168 ( 3.476 -3.401 3.171) 5.805 15.452 ( 0.712 2.374 -0.243) 2.491 15.579 ( 0.395 -1.131 -1.185) 1.685 16.009 ( -1.611 2.147 -1.843) 3.256 16.107 ( 0.021 0.303 0.340) 0.456 16.169 ( 0.454 -4.204 -4.615) 6.259 23.382 ( 4.490 -5.441 1.474) 7.207 24.451 ( -12.656 5.235 0.380) 13.701 25.345 ( 9.838 -4.879 0.102) 10.982 25.518 ( 2.898 -0.748 3.991) 4.988 25.941 ( -8.312 1.311 1.123) 8.489 26.151 ( 1.988 4.046 -0.853) 4.588 34.987 ( -4.540 1.917 -7.414) 8.902 35.255 ( 2.320 3.124 -6.317) 7.419 36.388 ( -0.496 1.930 6.427) 6.729 36.445 ( -0.896 -0.024 6.044) 6.110 36.666 ( 2.041 -4.303 6.143) 7.773 37.991 ( 2.456 -3.341 -7.472) 8.545 92.221 ( -0.474 0.373 -0.068) 0.607 93.743 ( -1.122 0.595 4.443) 4.621 93.790 ( -0.301 1.180 3.182) 3.407 95.864 ( 0.763 0.803 -8.226) 8.300 95.960 ( 1.619 -1.523 -6.552) 6.919 98.022 ( 3.670 -9.068 32.072) 33.531 ======================= Grid point 392 (118/188) ======================= q-point: (-0.10 0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 3.378 7.610 10.224) 13.185 2.226 ( 4.075 4.789 9.717) 11.574 2.586 ( 1.738 -4.377 11.982) 12.874 4.068 ( 5.643 -2.299 11.918) 13.385 4.324 ( 8.614 5.436 -2.170) 10.414 4.551 ( 7.751 -12.710 -0.200) 14.888 5.192 ( -2.539 2.384 -8.621) 9.298 5.494 ( -1.978 -2.192 -12.433) 12.779 6.123 ( 6.375 1.582 -2.141) 6.909 6.482 ( -8.644 0.152 7.924) 11.728 6.842 ( -5.733 -2.537 -2.650) 6.806 7.005 ( -2.930 2.614 -5.573) 6.817 8.255 ( -2.084 0.900 -8.478) 8.777 8.331 ( -2.540 0.668 -2.967) 3.963 8.482 ( 0.547 -1.410 -1.099) 1.870 10.129 ( -3.147 1.614 -0.717) 3.608 10.338 ( -3.062 1.356 4.618) 5.704 10.569 ( 3.904 -1.009 4.349) 5.931 10.903 ( 4.227 -2.707 -7.977) 9.425 11.225 ( -5.576 -4.143 3.200) 7.648 11.540 ( 3.749 5.918 4.520) 8.337 15.218 ( 5.101 -1.489 2.273) 5.780 15.483 ( 1.725 -0.592 1.110) 2.135 15.597 ( 1.703 1.081 -1.839) 2.729 15.976 ( -3.400 -0.085 -1.173) 3.598 16.111 ( 0.131 0.297 -0.132) 0.350 16.135 ( -0.996 -1.370 -4.559) 4.863 23.415 ( 4.029 -3.454 1.497) 5.514 24.235 ( -13.294 0.902 1.552) 13.414 25.441 ( 1.292 0.154 2.932) 3.208 25.624 ( 7.700 -0.896 1.300) 7.860 25.782 ( -6.521 -0.166 0.188) 6.526 26.235 ( 2.677 3.149 -0.914) 4.233 34.911 ( -3.916 -0.273 -7.711) 8.653 35.350 ( 3.291 3.688 -5.897) 7.695 36.397 ( -0.397 0.958 6.245) 6.330 36.416 ( -1.169 -1.232 5.953) 6.190 36.661 ( 0.916 -1.814 6.281) 6.601 38.008 ( 2.490 -1.929 -7.474) 8.111 92.212 ( -0.845 0.058 -0.058) 0.849 93.714 ( -1.705 -0.296 4.760) 5.065 93.809 ( 0.295 1.498 3.251) 3.591 95.892 ( 1.892 -0.049 -9.069) 9.265 95.990 ( 2.567 0.124 -6.259) 6.766 97.978 ( 0.271 -6.174 32.414) 32.998 ======================= Grid point 399 (119/188) ======================= q-point: (-0.40 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 1.495 -1.676 9.705) 9.961 2.174 ( -2.184 -3.776 5.611) 7.107 2.542 ( -1.168 0.843 13.543) 13.619 4.003 ( -0.632 0.586 12.487) 12.516 4.262 ( 4.334 -10.520 -0.995) 11.421 4.302 ( -11.750 -2.726 0.907) 12.096 5.279 ( 2.706 4.394 -9.705) 10.991 5.498 ( 0.558 -1.282 -14.412) 14.480 6.012 ( -3.089 -5.691 -4.219) 7.729 6.615 ( 2.909 5.680 11.603) 13.242 6.913 ( 0.873 5.616 -3.450) 6.648 7.044 ( 0.950 -1.788 -4.186) 4.650 8.292 ( 0.830 1.295 -8.842) 8.975 8.388 ( 2.617 1.308 -3.257) 4.378 8.456 ( -1.806 0.506 -1.579) 2.452 10.207 ( 3.273 2.738 -0.490) 4.295 10.362 ( -1.307 -0.751 3.448) 3.763 10.499 ( -1.473 -2.833 4.359) 5.403 10.863 ( -0.202 1.872 -9.785) 9.964 11.274 ( -0.568 6.174 5.715) 8.432 11.503 ( 0.184 -7.015 5.408) 8.860 15.134 ( -1.808 -3.142 3.009) 4.711 15.468 ( -0.561 1.428 -0.206) 1.548 15.573 ( -0.317 -2.476 -1.447) 2.885 16.026 ( 0.815 2.986 -2.470) 3.960 16.106 ( -0.387 0.226 0.179) 0.482 16.137 ( 0.611 -1.765 -4.126) 4.529 23.326 ( -2.011 -3.213 1.375) 4.032 24.513 ( 8.997 14.667 0.642) 17.219 25.293 ( -7.843 -14.188 -1.436) 16.275 25.504 ( -1.118 -0.559 5.015) 5.169 25.949 ( 4.477 8.360 0.473) 9.495 26.201 ( -1.236 -3.437 0.018) 3.653 35.001 ( 2.954 6.038 -7.310) 9.931 35.292 ( -2.350 -4.903 -6.042) 8.128 36.415 ( -0.193 1.708 5.849) 6.096 36.431 ( 1.006 0.765 6.760) 6.877 36.626 ( -0.786 -2.263 6.116) 6.568 37.957 ( -1.089 -1.853 -7.763) 8.055 92.225 ( 0.272 0.541 -0.099) 0.613 93.742 ( 0.576 1.996 4.363) 4.832 93.810 ( 0.053 -1.074 3.349) 3.518 95.872 ( -0.405 -0.044 -8.253) 8.263 95.943 ( -1.178 -2.508 -6.083) 6.685 97.934 ( -0.705 -1.297 31.938) 31.972 ======================= Grid point 401 (120/188) ======================= q-point: (-0.30 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -2.522 2.576 8.747) 9.461 2.127 ( 1.564 -2.066 6.061) 6.591 2.546 ( 0.530 -0.145 13.194) 13.205 4.038 ( -1.248 4.046 13.449) 14.100 4.137 ( -1.666 -1.129 -0.503) 2.075 4.262 ( 7.487 -10.527 0.505) 12.928 5.332 ( -3.876 6.707 -11.892) 14.193 5.491 ( 3.090 -6.052 -12.889) 14.571 5.949 ( 1.146 -2.001 -4.898) 5.414 6.673 ( -1.672 3.063 11.575) 12.090 6.982 ( 1.880 2.645 -3.403) 4.702 7.007 ( -2.330 -1.729 -3.459) 4.515 8.306 ( -0.260 0.422 -8.630) 8.645 8.413 ( -1.925 1.522 -3.017) 3.889 8.450 ( 1.347 -0.400 -2.264) 2.665 10.262 ( -2.524 2.163 -0.338) 3.341 10.325 ( 1.397 -0.432 2.215) 2.654 10.471 ( 1.203 -2.286 4.980) 5.611 10.885 ( -0.990 2.147 -11.624) 11.862 11.341 ( 1.366 3.813 6.699) 7.828 11.423 ( -0.700 -4.888 6.822) 8.422 15.102 ( 1.030 -1.780 3.075) 3.700 15.482 ( -0.968 2.737 -0.863) 3.029 15.547 ( 0.985 -2.654 -1.144) 3.053 16.057 ( -1.134 2.715 -3.027) 4.221 16.106 ( 0.296 0.102 0.435) 0.536 16.122 ( 0.838 -2.902 -3.843) 4.888 23.293 ( 1.361 -2.285 1.255) 2.941 24.726 ( -7.665 12.833 -0.136) 14.948 25.086 ( 7.554 -12.942 -0.925) 15.014 25.499 ( 0.144 0.012 5.153) 5.155 26.058 ( -2.053 4.252 0.396) 4.738 26.143 ( 0.395 -1.569 0.178) 1.627 35.089 ( -2.621 5.150 -6.899) 8.999 35.215 ( 1.651 -3.449 -6.353) 7.415 36.423 ( -0.999 2.076 6.322) 6.729 36.450 ( 0.209 -0.329 6.491) 6.503 36.602 ( 1.154 -2.329 5.984) 6.525 37.938 ( 0.822 -1.414 -7.868) 8.037 92.230 ( -0.143 0.267 -0.115) 0.324 93.767 ( -0.423 1.460 4.068) 4.343 93.795 ( -0.008 -0.759 3.562) 3.642 95.873 ( -0.533 1.173 -7.466) 7.577 95.915 ( 1.145 -2.181 -6.522) 6.971 97.922 ( 1.437 -2.510 31.699) 31.830 ======================= Grid point 436 (121/188) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -0.000 0.000 20.399) 20.399 1.940 ( -0.000 0.000 20.399) 20.399 2.777 ( 0.000 -0.000 19.935) 19.935 4.557 ( 0.000 0.000 10.276) 10.276 5.219 ( -0.000 0.000 -1.929) 1.929 5.365 ( 0.000 0.000 -8.102) 8.102 5.365 ( -0.000 0.000 -8.102) 8.102 5.783 ( 0.000 0.000 -13.665) 13.665 5.783 ( 0.000 -0.000 -13.665) 13.665 6.138 ( -0.000 -0.000 2.127) 2.127 6.138 ( 0.000 0.000 2.127) 2.127 7.426 ( 0.000 0.000 36.517) 36.517 8.120 ( 0.000 0.000 -3.382) 3.382 8.120 ( 0.000 0.000 -3.382) 3.382 8.533 ( 0.000 -0.000 -10.035) 10.035 10.236 ( 0.000 0.000 0.734) 0.734 10.236 ( 0.000 0.000 0.734) 0.734 10.598 ( 0.000 0.000 -7.301) 7.301 10.803 ( 0.000 -0.000 -21.806) 21.806 11.184 ( 0.000 0.000 6.672) 6.672 11.184 ( 0.000 0.000 6.672) 6.672 15.402 ( 0.000 0.000 1.931) 1.931 15.402 ( 0.000 0.000 1.931) 1.931 15.773 ( 0.000 0.000 -2.203) 2.203 15.773 ( 0.000 0.000 -2.203) 2.203 16.111 ( 0.000 0.000 0.614) 0.614 16.642 ( 0.000 0.000 0.680) 0.680 24.265 ( 0.000 0.000 2.567) 2.567 24.265 ( 0.000 0.000 2.567) 2.567 25.546 ( 0.000 -0.000 -1.806) 1.806 25.546 ( -0.000 -0.000 -1.806) 1.806 25.589 ( -0.000 -0.000 3.856) 3.856 25.731 ( 0.000 0.000 -5.238) 5.238 34.705 ( 0.000 0.000 -4.930) 4.930 34.705 ( 0.000 0.000 -4.930) 4.930 36.408 ( -0.000 0.000 3.324) 3.324 36.408 ( 0.000 -0.000 3.324) 3.324 37.223 ( 0.000 -0.000 6.788) 6.788 38.300 ( 0.000 0.000 -7.750) 7.750 92.214 ( 0.000 0.000 -0.107) 0.107 93.719 ( 0.000 0.000 4.212) 4.212 93.719 ( 0.000 0.000 4.212) 4.212 95.698 ( 0.000 0.000 -8.125) 8.125 95.698 ( 0.000 0.000 -8.125) 8.125 99.990 ( 0.000 -0.000 -0.018) 0.018 ======================= Grid point 437 (122/188) ======================= q-point: ( 0.10 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 2.347 2.680 21.217) 21.514 2.050 ( 7.230 3.157 19.541) 21.073 2.791 ( 1.196 0.943 18.064) 18.128 4.524 ( -3.874 -1.131 8.621) 9.519 4.905 ( -14.882 -11.303 -8.732) 20.627 5.321 ( -9.850 8.319 -3.633) 13.395 5.536 ( -4.251 -1.019 -0.064) 4.372 5.636 ( 7.719 -10.952 -20.986) 24.898 5.922 ( 5.161 8.627 -4.604) 11.057 6.089 ( 0.016 -3.132 3.331) 4.572 6.250 ( 5.292 3.631 -6.699) 9.277 7.376 ( -3.674 -3.680 32.954) 33.362 8.080 ( 1.060 -2.478 -0.335) 2.716 8.200 ( 1.923 4.943 -4.189) 6.758 8.517 ( -1.142 -1.131 -8.193) 8.349 10.222 ( 2.219 -1.768 2.198) 3.589 10.268 ( -0.897 2.909 -0.475) 3.081 10.572 ( -2.192 -1.718 -12.415) 12.724 10.763 ( -2.471 -0.363 -11.282) 11.555 11.159 ( 0.432 -1.876 6.965) 7.226 11.301 ( 6.812 5.036 1.634) 8.628 15.389 ( -0.694 1.022 2.584) 2.864 15.436 ( 2.485 0.041 1.216) 2.767 15.727 ( -4.223 0.472 -1.457) 4.492 15.791 ( 1.541 -1.492 -2.767) 3.501 16.109 ( -0.103 -0.180 0.639) 0.672 16.586 ( -4.691 -2.790 0.347) 5.469 24.159 ( -7.229 -6.246 2.418) 9.855 24.259 ( -1.786 0.935 2.295) 3.054 25.510 ( -0.335 -3.321 0.535) 3.380 25.562 ( 1.465 -0.646 -0.584) 1.705 25.677 ( 4.515 2.465 0.394) 5.159 25.767 ( 2.766 6.051 -4.385) 7.969 34.699 ( 0.129 -0.481 -4.736) 4.762 34.758 ( 3.860 2.781 -5.136) 7.001 36.407 ( 0.205 0.319 3.523) 3.543 36.428 ( 1.488 0.661 3.251) 3.636 37.190 ( -2.862 -1.718 6.666) 7.455 38.259 ( -3.562 -1.894 -7.511) 8.526 92.210 ( -0.239 -0.218 -0.001) 0.323 93.712 ( 0.549 -0.501 4.634) 4.693 93.754 ( 1.845 1.837 3.846) 4.645 95.680 ( -0.884 0.282 -7.769) 7.824 95.735 ( 2.382 0.886 -8.647) 9.013 99.826 ( -13.644 -8.017 3.408) 16.188 ======================= Grid point 438 (123/188) ======================= q-point: ( 0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 6.180 5.598 20.171) 21.827 2.221 ( 7.702 4.288 19.585) 21.477 2.838 ( 2.340 2.089 13.898) 14.248 4.360 ( -12.003 -5.294 -4.780) 13.962 4.628 ( -7.674 -3.109 -0.637) 8.304 5.167 ( -13.099 1.778 -4.388) 13.928 5.334 ( -10.230 -2.458 -4.319) 11.373 5.713 ( 3.424 -3.937 -12.220) 13.288 6.036 ( -1.128 -1.550 -2.061) 2.814 6.126 ( 9.046 1.791 2.669) 9.600 6.386 ( 7.108 3.152 -11.435) 13.828 7.249 ( -4.415 -7.055 26.298) 27.583 8.087 ( 2.136 -2.455 0.922) 3.382 8.281 ( 1.025 6.252 -2.678) 6.879 8.475 ( -1.507 -2.467 -3.752) 4.736 10.234 ( 1.657 -5.164 -0.407) 5.439 10.293 ( -0.593 6.246 1.410) 6.431 10.512 ( -1.551 -1.746 -14.488) 14.675 10.742 ( -0.920 1.383 -1.939) 2.553 11.161 ( 1.433 -1.305 6.402) 6.689 11.467 ( 6.520 4.294 -1.819) 8.016 15.398 ( -0.134 2.251 2.707) 3.523 15.482 ( 2.768 -0.448 1.189) 3.046 15.641 ( -6.275 1.164 -0.723) 6.423 15.803 ( 1.994 -1.992 -3.151) 4.227 16.105 ( 0.014 -0.453 0.705) 0.838 16.444 ( -7.205 -4.329 -0.921) 8.456 23.934 ( -10.375 -7.167 1.943) 12.759 24.230 ( -1.605 -0.791 2.170) 2.813 25.474 ( 2.236 -7.344 1.626) 7.847 25.590 ( 2.236 -0.380 -0.275) 2.285 25.722 ( -1.674 5.268 -1.967) 5.867 25.957 ( 8.081 8.191 -1.690) 11.630 34.701 ( 0.429 -0.056 -4.726) 4.746 34.886 ( 6.797 4.291 -5.015) 9.474 36.419 ( 0.543 0.708 3.658) 3.765 36.467 ( 2.108 0.823 3.499) 4.167 37.096 ( -5.083 -3.197 6.306) 8.708 38.152 ( -5.828 -2.769 -7.080) 9.578 92.204 ( -0.148 -0.377 0.226) 0.464 93.726 ( 1.434 -0.226 5.062) 5.266 93.812 ( 2.361 2.259 3.658) 4.905 95.674 ( -0.591 1.066 -7.798) 7.893 95.790 ( 2.645 1.256 -9.023) 9.486 99.422 ( -20.114 -12.169 10.746) 25.848 ======================= Grid point 439 (124/188) ======================= q-point: ( 0.30 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 7.576 7.299 17.225) 20.184 2.379 ( 4.978 5.356 18.503) 19.896 2.887 ( 0.220 1.690 11.552) 11.677 4.099 ( -10.058 -5.263 -15.608) 19.299 4.535 ( -4.105 2.378 4.743) 6.709 4.952 ( -13.453 2.186 -3.921) 14.182 5.172 ( -6.047 -1.716 -3.785) 7.337 5.614 ( -9.494 -4.492 -9.063) 13.873 6.044 ( 2.078 1.972 -6.477) 7.082 6.257 ( 8.739 -6.150 -0.323) 10.691 6.551 ( 7.758 3.142 -6.734) 10.742 7.103 ( -3.154 -8.514 19.265) 21.297 8.098 ( 1.237 -1.222 -0.478) 1.803 8.352 ( 0.848 4.068 0.321) 4.168 8.429 ( -0.554 -2.193 0.484) 2.313 10.188 ( -1.178 -4.131 -2.722) 5.085 10.331 ( -0.592 2.345 -2.770) 3.677 10.524 ( 3.612 0.633 -4.851) 6.081 10.747 ( -0.796 2.314 -0.252) 2.460 11.178 ( 1.344 -0.088 5.326) 5.494 11.594 ( 4.085 2.650 -2.662) 5.550 15.423 ( -0.502 2.196 1.823) 2.898 15.484 ( -2.781 0.796 2.423) 3.774 15.588 ( -0.246 1.624 -0.162) 1.651 15.819 ( 2.111 -1.989 -3.368) 4.445 16.100 ( 0.129 -0.972 0.661) 1.182 16.274 ( -7.306 -4.160 -2.914) 8.898 23.694 ( -9.381 -6.069 1.396) 11.260 24.194 ( -0.695 -2.410 2.235) 3.359 25.443 ( 3.510 -8.614 2.067) 9.528 25.620 ( 2.961 -2.846 1.171) 4.270 25.752 ( -3.639 10.396 -2.446) 11.283 26.151 ( 5.987 5.618 -1.526) 8.351 34.712 ( 0.509 0.473 -4.878) 4.927 35.063 ( 8.172 4.858 -4.486) 10.512 36.437 ( 0.487 0.879 3.705) 3.839 36.509 ( 1.890 0.452 4.018) 4.463 36.964 ( -5.852 -3.945 5.782) 9.123 38.022 ( -5.990 -2.311 -6.888) 9.416 92.200 ( 0.170 -0.459 0.409) 0.638 93.754 ( 1.710 0.148 5.393) 5.659 93.870 ( 1.954 1.703 3.833) 4.627 95.681 ( -0.211 1.648 -8.248) 8.414 95.843 ( 1.748 1.505 -9.073) 9.361 98.966 ( -17.976 -11.578 17.203) 27.443 ======================= Grid point 440 (125/188) ======================= q-point: ( 0.40 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 4.698 7.910 13.969) 16.727 2.486 ( 1.026 5.527 15.925) 16.888 2.865 ( -3.243 0.507 11.924) 12.367 3.947 ( -2.920 -2.881 -19.526) 19.952 4.525 ( -1.511 4.941 2.933) 5.941 4.767 ( -11.777 4.948 0.739) 12.795 5.107 ( -0.509 0.120 -4.564) 4.594 5.365 ( -12.498 -4.922 -10.140) 16.830 6.107 ( 0.237 5.307 -7.000) 8.788 6.316 ( 8.369 -11.178 -3.600) 14.420 6.685 ( 5.384 0.824 -0.353) 5.458 6.987 ( -0.507 -8.327 12.148) 14.737 8.110 ( 0.946 0.174 -1.223) 1.555 8.362 ( -0.280 -2.013 4.033) 4.517 8.442 ( 1.520 2.013 1.369) 2.870 10.122 ( -1.877 -3.479 -3.586) 5.337 10.331 ( -0.130 -0.474 -4.592) 4.619 10.612 ( 4.655 1.076 1.065) 4.895 10.759 ( -0.636 2.785 -0.918) 3.001 11.203 ( 0.713 1.438 4.069) 4.375 11.655 ( 0.916 0.919 -2.159) 2.519 15.372 ( -4.832 1.135 0.912) 5.047 15.511 ( 1.363 4.642 3.405) 5.916 15.614 ( 0.792 0.746 0.510) 1.201 15.836 ( 2.245 -2.019 -3.233) 4.424 16.075 ( -1.526 -3.751 -1.721) 4.400 16.142 ( -3.799 -0.702 -2.730) 4.731 23.515 ( -5.361 -3.895 0.853) 6.681 24.162 ( 0.180 -3.002 2.440) 3.873 25.427 ( 4.354 -8.135 2.428) 9.541 25.633 ( 2.671 -4.276 2.702) 5.720 25.799 ( -4.135 11.975 -3.175) 13.061 26.260 ( 2.011 2.552 -1.558) 3.603 34.725 ( 0.373 0.694 -5.104) 5.164 35.236 ( 6.115 3.816 -3.856) 8.174 36.451 ( 0.263 0.655 3.602) 3.671 36.534 ( 0.813 -0.257 4.583) 4.661 36.839 ( -4.000 -3.157 5.359) 7.395 37.918 ( -4.041 -0.727 -6.975) 8.094 92.200 ( 0.409 -0.541 0.482) 0.832 93.783 ( 1.384 0.300 5.543) 5.721 93.906 ( 0.806 0.647 4.278) 4.401 95.698 ( 0.040 1.910 -8.922) 9.125 95.875 ( 0.167 1.494 -8.842) 8.969 98.626 ( -9.881 -7.561 20.820) 24.255 ======================= Grid point 441 (126/188) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -7.027 3.424 15.504) 17.363 2.564 ( -0.694 4.948 12.661) 13.612 2.844 ( 0.431 2.090 11.753) 11.946 3.932 ( 2.423 0.172 -20.485) 20.628 4.530 ( -5.576 4.619 -1.594) 7.414 4.702 ( -1.489 8.032 5.997) 10.134 5.109 ( -5.738 -1.209 -2.722) 6.465 5.184 ( 1.070 2.075 -12.336) 12.555 6.142 ( -2.503 5.130 -6.492) 8.645 6.328 ( 6.770 -12.201 -4.042) 14.527 6.755 ( 3.171 -1.915 0.637) 3.759 6.923 ( 2.279 -6.995 9.119) 11.717 8.136 ( 1.342 1.100 -0.756) 1.893 8.329 ( -0.851 -2.644 4.834) 5.575 8.488 ( 1.657 1.171 2.051) 2.885 10.064 ( -1.384 -2.357 -3.421) 4.379 10.320 ( 0.530 -2.277 -4.140) 4.754 10.681 ( 1.641 1.586 2.379) 3.297 10.782 ( 0.464 1.819 -3.337) 3.829 11.230 ( 0.423 1.945 3.196) 3.766 11.644 ( -2.207 -0.687 -0.733) 2.425 15.326 ( -2.462 2.563 0.946) 3.678 15.577 ( 0.293 4.363 3.121) 5.373 15.617 ( -0.999 0.558 1.090) 1.581 15.863 ( 3.401 -1.917 -2.505) 4.638 16.001 ( -1.029 -3.393 -5.732) 6.740 16.116 ( -0.736 0.649 -0.351) 1.042 23.447 ( 0.488 -0.998 0.529) 1.230 24.144 ( 0.832 -2.331 2.668) 3.639 25.432 ( 5.087 -7.322 2.480) 9.254 25.629 ( 2.248 -5.009 3.797) 6.675 25.839 ( -4.880 11.419 -3.916) 13.021 26.272 ( -1.949 0.109 -1.372) 2.386 34.736 ( 0.156 0.471 -5.311) 5.334 35.311 ( -0.489 0.451 -3.539) 3.602 36.464 ( 0.877 0.200 3.193) 3.317 36.536 ( -0.135 -0.168 4.904) 4.908 36.781 ( -0.132 -1.103 5.421) 5.534 37.880 ( -0.692 1.384 -7.052) 7.220 92.202 ( 0.428 -0.616 0.470) 0.885 93.802 ( 0.596 -0.057 5.499) 5.531 93.910 ( -0.589 -0.264 4.639) 4.684 95.717 ( -0.083 1.937 -9.451) 9.647 95.877 ( -1.349 0.938 -8.546) 8.702 98.501 ( 0.849 -1.655 21.920) 21.999 ======================= Grid point 443 (127/188) ======================= q-point: (-0.40 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -9.196 0.330 18.099) 20.304 2.529 ( -5.792 0.553 14.865) 15.964 2.891 ( 0.731 2.595 10.080) 10.435 4.032 ( 6.645 4.465 -19.913) 21.462 4.468 ( -5.736 5.219 2.068) 8.026 4.804 ( 4.488 2.910 -2.517) 5.912 5.041 ( -3.577 9.618 -3.802) 10.943 5.325 ( 9.374 3.601 -5.181) 11.300 6.120 ( -3.561 1.230 -4.893) 6.175 6.315 ( 4.229 -9.295 -3.554) 10.812 6.702 ( -3.912 -7.539 -3.816) 9.311 6.979 ( 8.997 -1.634 11.390) 14.606 8.162 ( -0.391 0.726 0.343) 0.893 8.290 ( -0.116 -2.206 4.269) 4.807 8.516 ( 0.689 0.260 1.565) 1.730 10.035 ( -0.022 -1.003 -2.468) 2.664 10.310 ( 1.111 -2.215 -4.256) 4.925 10.706 ( -0.247 1.768 2.629) 3.177 10.789 ( -1.639 0.567 -7.678) 7.871 11.253 ( 0.864 0.356 3.171) 3.305 11.574 ( -4.369 -1.626 1.133) 4.798 15.337 ( 0.112 3.186 1.079) 3.365 15.581 ( -2.995 2.769 -1.113) 4.228 15.606 ( -1.351 0.391 4.111) 4.345 15.882 ( 1.014 -3.608 -2.505) 4.508 16.028 ( 5.882 0.822 -3.945) 7.131 16.119 ( 0.267 1.489 -0.575) 1.619 23.513 ( 6.482 2.035 0.494) 6.812 24.146 ( 1.296 -0.814 2.801) 3.192 25.455 ( 5.683 -6.840 2.050) 9.126 25.612 ( 1.933 -5.533 4.473) 7.373 25.851 ( -6.320 10.181 -4.500) 12.800 26.202 ( -5.293 -1.457 -1.061) 5.591 34.739 ( -0.024 -0.009 -5.445) 5.445 35.228 ( -6.972 -3.121 -3.713) 8.493 36.476 ( 0.253 -0.407 2.893) 2.933 36.527 ( -0.912 -0.228 4.791) 4.882 36.821 ( 4.546 1.651 5.748) 7.512 37.921 ( 2.738 3.184 -6.947) 8.118 92.202 ( 0.330 -0.589 0.412) 0.791 93.800 ( -0.267 -0.988 5.351) 5.448 93.884 ( -1.817 -0.525 4.609) 4.982 95.730 ( -0.690 1.926 -9.522) 9.739 95.849 ( -2.158 -0.297 -8.391) 8.669 98.623 ( 11.400 4.732 20.885) 24.260 ======================= Grid point 444 (128/188) ======================= q-point: (-0.30 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -8.078 -1.539 21.126) 22.670 2.400 ( -7.760 -2.479 17.313) 19.134 2.890 ( -2.339 0.025 10.230) 10.494 4.248 ( 11.229 8.135 -17.476) 22.309 4.455 ( -1.933 5.225 5.373) 7.740 4.909 ( 5.818 2.856 -10.341) 12.204 5.160 ( 2.344 13.312 0.300) 13.520 5.543 ( 10.329 4.631 -3.320) 11.797 6.059 ( -2.066 -2.898 -2.742) 4.493 6.288 ( 0.947 -5.761 -2.505) 6.353 6.511 ( -8.028 -8.862 -6.749) 13.731 7.146 ( 10.369 0.016 14.031) 17.447 8.117 ( -3.151 -2.151 2.552) 4.590 8.297 ( 0.834 0.911 1.002) 1.591 8.516 ( -0.379 -0.582 -0.130) 0.706 10.045 ( 1.694 0.273 -0.978) 1.975 10.323 ( 2.082 -0.562 -4.378) 4.881 10.700 ( -2.319 -1.581 -1.076) 3.005 10.740 ( -3.643 2.094 -9.057) 9.984 11.262 ( 1.237 -2.297 3.686) 4.516 11.473 ( -5.394 -1.455 2.155) 5.988 15.373 ( 0.382 2.235 1.709) 2.840 15.552 ( -2.002 -1.435 0.445) 2.503 15.590 ( -1.499 4.410 0.716) 4.712 15.852 ( 0.103 -3.486 -3.126) 4.683 16.095 ( 1.197 -0.599 0.625) 1.477 16.228 ( 8.264 5.039 -2.026) 9.888 23.696 ( 10.789 4.279 0.668) 11.626 24.171 ( 1.501 0.861 2.795) 3.288 25.489 ( 6.075 -6.592 1.189) 9.043 25.588 ( 1.587 -5.375 4.583) 7.240 25.820 ( -7.977 8.262 -4.367) 12.287 26.070 ( -7.770 -2.197 -1.260) 8.173 34.736 ( -0.127 -0.479 -5.469) 5.492 35.047 ( -8.916 -4.333 -4.177) 10.757 36.464 ( -1.002 -0.362 3.127) 3.303 36.496 ( -1.735 -1.318 4.241) 4.769 36.950 ( 6.779 3.308 6.034) 9.659 38.026 ( 4.955 4.005 -6.864) 9.365 92.202 ( 0.292 -0.392 0.321) 0.584 93.776 ( -0.731 -2.001 5.181) 5.602 93.842 ( -2.655 -0.211 4.230) 4.999 95.729 ( -1.680 1.957 -9.000) 9.362 95.802 ( -1.892 -1.763 -8.511) 8.895 98.962 ( 19.055 9.806 17.276) 27.527 ======================= Grid point 445 (129/188) ======================= q-point: (-0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -6.314 -1.720 22.240) 23.183 2.227 ( -7.992 -4.740 18.727) 20.905 2.834 ( -2.897 -0.942 13.520) 13.859 4.490 ( 0.750 3.915 6.954) 8.016 4.564 ( 15.026 8.889 -12.551) 21.502 5.072 ( 6.526 7.673 -11.591) 15.356 5.349 ( 5.371 11.273 -0.464) 12.496 5.718 ( 6.356 -0.773 -4.141) 7.625 6.004 ( -0.843 -4.456 -1.260) 4.707 6.189 ( -7.156 -5.332 -1.065) 8.988 6.323 ( -3.953 -4.111 -10.013) 11.524 7.302 ( 7.367 -0.196 22.277) 23.465 8.052 ( -1.047 -2.183 1.576) 2.889 8.297 ( -3.060 1.376 -1.605) 3.719 8.506 ( 0.531 -0.689 -3.636) 3.739 10.095 ( 3.192 1.116 0.511) 3.419 10.359 ( 0.952 0.618 -1.533) 1.908 10.600 ( -4.197 -2.242 -13.520) 14.332 10.734 ( -0.571 2.009 -3.619) 4.178 11.248 ( 0.969 -4.414 4.464) 6.352 11.363 ( -6.401 -0.613 1.850) 6.692 15.386 ( -0.762 1.416 2.387) 2.878 15.493 ( -1.977 -2.864 1.071) 3.641 15.645 ( 1.437 5.561 -1.065) 5.842 15.822 ( 0.067 -2.886 -2.964) 4.138 16.104 ( 0.481 -0.198 0.705) 0.876 16.426 ( 8.384 4.667 -0.400) 9.604 23.942 ( 12.020 4.750 1.126) 12.973 24.210 ( 1.231 2.160 2.702) 3.672 25.529 ( 5.616 -5.797 0.039) 8.071 25.563 ( 1.134 -4.340 3.772) 5.861 25.743 ( -8.367 4.769 -2.587) 9.972 25.907 ( -8.665 -1.412 -2.834) 9.226 34.727 ( -0.140 -0.835 -5.358) 5.424 34.865 ( -7.359 -3.412 -4.559) 9.305 36.439 ( -1.604 0.002 3.539) 3.886 36.452 ( -1.323 -1.708 3.497) 4.111 37.091 ( 5.623 2.979 6.382) 9.012 38.154 ( 5.225 3.612 -7.072) 9.506 92.205 ( 0.335 -0.099 0.175) 0.391 93.742 ( -0.652 -2.166 4.925) 5.419 93.793 ( -2.842 -0.007 3.908) 4.832 95.712 ( -2.273 1.565 -8.077) 8.535 95.757 ( -0.964 -2.300 -8.855) 9.199 99.420 ( 20.681 11.385 10.783) 25.953 ======================= Grid point 446 (130/188) ======================= q-point: (-0.10 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -2.933 -0.423 21.693) 21.894 2.052 ( -6.458 -4.695 19.258) 20.848 2.790 ( -1.313 -0.505 18.027) 18.082 4.536 ( 1.160 1.835 9.499) 9.743 4.926 ( 17.688 6.662 -8.640) 20.782 5.246 ( 1.631 11.888 -9.925) 15.572 5.540 ( 3.861 4.642 0.212) 6.042 5.706 ( 1.931 -14.107 -12.359) 18.855 5.883 ( -8.660 2.946 -8.576) 12.538 6.096 ( 1.201 -2.199 3.263) 4.114 6.238 ( -4.365 -1.834 -5.594) 7.328 7.391 ( 3.372 0.373 32.402) 32.579 8.055 ( 2.775 -0.438 -1.329) 3.108 8.219 ( -5.812 -0.559 -3.206) 6.661 8.521 ( 1.064 0.161 -8.121) 8.192 10.169 ( 3.697 1.338 1.222) 4.117 10.317 ( -4.561 -1.491 0.754) 4.858 10.578 ( 1.574 0.473 -12.566) 12.673 10.761 ( 1.680 2.058 -11.655) 11.954 11.211 ( 0.780 -6.039 5.214) 8.017 11.249 ( -6.843 1.510 3.470) 7.819 15.387 ( -0.322 1.137 2.492) 2.758 15.437 ( -1.500 -2.162 1.258) 2.917 15.724 ( 1.922 3.679 -1.607) 4.451 15.797 ( -0.108 -2.100 -2.673) 3.401 16.109 ( 0.243 0.019 0.639) 0.684 16.583 ( 5.098 2.862 0.440) 5.863 24.168 ( 9.078 2.496 2.022) 9.630 24.249 ( 0.267 2.815 2.584) 3.831 25.541 ( -0.973 0.193 1.423) 1.735 25.558 ( 4.035 -6.156 -1.183) 7.454 25.644 ( -5.603 0.695 0.788) 5.700 25.773 ( -5.604 0.235 -4.886) 7.439 34.715 ( 0.015 -1.247 -5.111) 5.261 34.743 ( -4.110 -1.119 -4.794) 6.413 36.414 ( -1.030 -0.129 3.641) 3.786 36.422 ( -0.744 -0.895 3.117) 3.327 37.189 ( 3.012 1.674 6.675) 7.512 38.259 ( 3.383 2.116 -7.510) 8.505 92.211 ( 0.275 0.079 -0.011) 0.287 93.717 ( -0.119 -1.172 4.584) 4.733 93.748 ( -2.153 -0.186 3.918) 4.474 95.692 ( -1.005 0.700 -7.781) 7.877 95.724 ( -0.849 -1.468 -8.655) 8.819 99.826 ( 13.801 7.829 3.414) 16.231 ======================= Grid point 448 (131/188) ======================= q-point: ( 0.10 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 4.468 5.857 22.922) 24.076 2.169 ( 4.555 8.345 16.815) 19.317 2.827 ( 1.698 2.659 14.910) 15.240 4.486 ( -6.735 -3.364 1.625) 7.701 4.661 ( -4.862 -11.508 -6.474) 14.071 5.274 ( 2.497 -11.636 -5.211) 12.991 5.439 ( -8.119 -6.237 -7.899) 12.931 5.621 ( -0.068 4.696 -8.968) 10.124 6.009 ( 3.233 -1.064 1.919) 3.907 6.111 ( 0.285 7.072 0.653) 7.108 6.301 ( 3.648 1.475 -11.066) 11.745 7.273 ( -6.020 -6.407 26.264) 27.697 8.042 ( 1.262 -0.084 1.511) 1.971 8.310 ( 2.063 4.224 -1.053) 4.817 8.487 ( -1.985 -1.371 -6.101) 6.560 10.144 ( 1.981 -4.148 1.223) 4.756 10.364 ( 0.195 3.079 1.145) 3.291 10.536 ( -3.275 -0.012 -16.225) 16.553 10.759 ( 0.241 0.169 -5.086) 5.094 11.168 ( -1.823 2.172 6.869) 7.432 11.396 ( 6.292 4.406 0.071) 7.682 15.418 ( 1.781 1.135 2.956) 3.633 15.446 ( -0.088 1.728 0.424) 1.782 15.731 ( 0.620 -1.378 -1.145) 1.896 15.756 ( -2.527 -0.518 -3.151) 4.072 16.102 ( -0.241 -0.532 0.714) 0.922 16.480 ( -3.742 -7.574 0.043) 8.448 23.977 ( -6.775 -11.614 2.081) 13.606 24.257 ( -0.068 -0.803 2.336) 2.471 25.414 ( -4.695 -5.397 0.761) 7.193 25.561 ( 0.971 -0.005 2.025) 2.245 25.787 ( 3.463 8.343 -0.856) 9.074 25.904 ( 5.890 6.666 -4.449) 9.946 34.710 ( -0.329 1.308 -4.748) 4.936 34.837 ( 4.033 5.434 -5.092) 8.469 36.427 ( -0.084 1.545 3.536) 3.860 36.446 ( 1.491 1.152 3.442) 3.924 37.122 ( -2.730 -5.040 6.468) 8.642 38.190 ( -2.853 -4.827 -7.267) 9.178 92.204 ( -0.290 -0.407 0.192) 0.535 93.716 ( 0.063 0.882 5.130) 5.205 93.798 ( 1.978 2.411 3.653) 4.803 95.705 ( -1.027 2.168 -7.952) 8.306 95.754 ( 2.692 0.996 -9.041) 9.486 99.539 ( -11.392 -19.843 8.792) 24.512 ======================= Grid point 449 (132/188) ======================= q-point: ( 0.20 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 7.000 8.259 20.621) 23.290 2.344 ( 5.938 7.855 15.541) 18.398 2.889 ( 1.828 2.854 11.399) 11.892 4.240 ( -12.224 -6.327 -13.933) 19.585 4.574 ( -0.611 -2.623 1.639) 3.153 5.147 ( -5.873 -5.907 0.592) 8.351 5.248 ( -7.864 -2.339 -11.240) 13.916 5.647 ( 0.153 -4.452 -10.989) 11.858 6.048 ( 0.625 3.900 -1.207) 4.130 6.130 ( 0.209 -2.883 4.068) 4.990 6.431 ( 8.507 2.224 -10.128) 13.413 7.093 ( -5.834 -8.497 21.009) 23.401 8.077 ( 1.378 1.706 2.162) 3.080 8.355 ( 0.786 -0.973 1.774) 2.170 8.447 ( -1.738 1.450 -3.240) 3.952 10.136 ( 1.535 -4.148 -0.501) 4.451 10.394 ( 0.358 1.662 4.426) 4.741 10.481 ( -2.487 0.214 -16.042) 16.235 10.772 ( 0.204 1.657 -1.383) 2.168 11.188 ( 0.287 3.969 5.823) 7.053 11.533 ( 5.522 2.383 -1.549) 6.211 15.458 ( 0.039 3.305 3.089) 4.524 15.474 ( 2.112 -0.042 -0.330) 2.138 15.669 ( -5.462 1.545 -0.764) 5.727 15.759 ( 2.550 -2.292 -3.140) 4.649 16.090 ( -0.261 -1.184 0.624) 1.363 16.327 ( -5.105 -6.950 -1.111) 8.695 23.738 ( -7.020 -11.870 1.930) 13.925 24.237 ( -2.493 1.665 2.482) 3.892 25.302 ( 0.121 -9.152 1.961) 9.361 25.575 ( 1.054 -0.651 2.556) 2.841 25.897 ( -0.972 10.313 -2.350) 10.622 26.087 ( 7.531 4.983 -3.144) 9.561 34.729 ( 0.027 2.752 -4.707) 5.452 34.981 ( 6.411 5.221 -4.861) 9.591 36.444 ( 0.217 1.708 3.570) 3.963 36.485 ( 1.683 0.996 3.863) 4.330 37.004 ( -4.497 -6.042 6.086) 9.683 38.080 ( -4.370 -4.323 -7.135) 9.418 92.195 ( -0.170 -0.436 0.469) 0.662 93.736 ( 1.017 1.184 5.570) 5.784 93.854 ( 1.942 1.902 3.748) 4.630 95.712 ( -0.885 2.550 -8.558) 8.974 95.816 ( 2.897 1.274 -9.322) 9.845 99.108 ( -15.199 -18.426 15.490) 28.469 ======================= Grid point 450 (133/188) ======================= q-point: ( 0.30 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 7.443 9.689 16.196) 20.287 2.505 ( 3.778 6.964 14.452) 16.481 2.918 ( -1.408 1.326 10.399) 10.578 4.014 ( -8.064 -2.943 -19.528) 21.332 4.552 ( 0.231 -1.281 -0.941) 1.607 4.991 ( -8.454 0.176 1.388) 8.569 5.138 ( -3.958 0.370 -9.141) 9.967 5.520 ( -8.667 -4.248 -10.680) 14.395 6.063 ( 3.027 -7.174 -6.119) 9.903 6.159 ( 3.323 2.871 2.994) 5.315 6.587 ( 7.248 0.603 -4.543) 8.575 6.923 ( -3.300 -9.527 16.858) 19.643 8.113 ( 0.267 2.447 0.912) 2.625 8.334 ( 0.440 -3.264 4.310) 5.425 8.456 ( -0.299 2.387 -0.286) 2.422 10.111 ( -0.283 -2.855 -2.305) 3.680 10.370 ( -3.896 0.608 1.054) 4.082 10.502 ( 5.645 -2.430 -7.012) 9.324 10.793 ( -0.239 2.325 -0.926) 2.514 11.242 ( -0.079 6.122 4.285) 7.473 11.624 ( 3.305 0.472 -1.833) 3.809 15.459 ( -3.251 1.233 0.948) 3.604 15.519 ( 2.173 2.739 -0.136) 3.499 15.623 ( -1.401 1.897 1.293) 2.689 15.779 ( 2.153 -1.995 -3.026) 4.216 16.058 ( -1.194 -4.032 -0.960) 4.314 16.196 ( -3.798 -2.629 -1.523) 4.864 23.525 ( -4.629 -10.192 1.584) 11.306 24.211 ( -3.727 4.148 2.873) 6.273 25.238 ( 4.167 -11.473 2.828) 12.530 25.583 ( 0.922 -1.202 3.201) 3.542 25.968 ( -2.535 10.337 -2.946) 11.044 26.230 ( 4.487 2.501 -2.744) 5.824 34.758 ( -0.782 4.237 -4.903) 6.527 35.147 ( 7.528 3.348 -4.320) 9.303 36.464 ( -0.107 1.741 3.657) 4.052 36.517 ( 1.134 0.323 4.338) 4.495 36.866 ( -4.220 -5.801 5.674) 9.147 37.971 ( -3.916 -2.708 -7.288) 8.705 92.190 ( 0.111 -0.451 0.677) 0.821 93.769 ( 1.220 1.384 5.778) 6.065 93.895 ( 1.210 0.776 4.219) 4.457 95.725 ( -0.564 2.710 -9.308) 9.711 95.869 ( 1.841 1.050 -9.522) 9.755 98.712 ( -11.671 -13.250 20.291) 26.898 ======================= Grid point 451 (134/188) ======================= q-point: ( 0.40 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -1.860 5.055 14.076) 15.071 2.612 ( 2.998 8.101 12.277) 15.011 2.878 ( -2.881 0.864 11.064) 11.466 3.923 ( -1.339 0.971 -22.240) 22.301 4.550 ( 1.502 -3.096 -5.281) 6.303 4.878 ( -7.255 4.819 1.436) 8.827 5.115 ( -0.151 2.021 -4.354) 4.803 5.331 ( -10.277 1.933 -10.928) 15.126 6.049 ( 7.133 -12.908 -5.843) 15.863 6.242 ( 0.490 5.781 -0.622) 5.835 6.679 ( 4.125 -1.585 -0.342) 4.432 6.804 ( 0.837 -9.778 12.862) 16.179 8.137 ( 0.394 2.050 0.732) 2.212 8.316 ( -0.164 -1.785 5.389) 5.680 8.475 ( 0.829 0.711 1.414) 1.786 10.076 ( -1.548 -0.955 -2.376) 2.992 10.311 ( -1.891 -1.702 -0.741) 2.650 10.585 ( 6.912 -3.481 -3.018) 8.307 10.806 ( -0.965 2.327 -1.650) 3.011 11.295 ( -1.561 6.849 3.242) 7.737 11.651 ( 0.285 -1.113 -1.182) 1.648 15.405 ( -3.905 2.097 -0.456) 4.455 15.595 ( 2.597 3.486 -0.247) 4.353 15.633 ( -0.221 1.375 2.870) 3.190 15.793 ( 2.110 -2.428 -2.213) 3.904 15.977 ( -1.394 -5.574 -4.261) 7.153 16.149 ( -1.730 1.181 -0.310) 2.118 23.396 ( -0.002 -7.287 1.238) 7.391 24.196 ( -3.886 6.022 3.307) 7.893 25.215 ( 6.848 -12.496 3.222) 14.609 25.583 ( 0.583 -1.488 3.872) 4.189 26.016 ( -3.350 9.565 -3.611) 10.759 26.286 ( 0.579 0.256 -2.333) 2.417 34.780 ( -1.980 4.721 -5.155) 7.265 35.275 ( 4.580 -0.133 -3.901) 6.018 36.471 ( -0.725 1.323 3.608) 3.910 36.532 ( 0.569 0.157 4.687) 4.724 36.767 ( -1.212 -3.985 5.514) 6.910 37.905 ( -1.682 -0.597 -7.505) 7.715 92.189 ( 0.307 -0.491 0.763) 0.958 93.799 ( 0.542 1.192 5.769) 5.915 93.910 ( 0.222 -0.302 4.744) 4.758 95.744 ( -0.413 2.699 -9.970) 10.337 95.894 ( 0.134 0.296 -9.526) 9.532 98.481 ( -3.286 -6.632 22.551) 23.734 ======================= Grid point 452 (135/188) ======================= q-point: (-0.50 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -9.710 2.426 14.862) 17.918 2.638 ( -5.231 2.325 12.903) 14.116 2.897 ( 1.730 2.908 10.065) 10.619 3.978 ( 4.198 4.442 -22.056) 22.887 4.522 ( 0.095 -4.998 -6.915) 8.532 4.845 ( -3.004 6.105 -1.683) 7.010 5.179 ( 1.084 7.455 0.801) 7.576 5.253 ( -1.076 4.500 -9.788) 10.827 6.049 ( 6.708 -11.240 -6.277) 14.516 6.269 ( -2.939 3.584 -0.303) 4.645 6.674 ( -0.873 -6.729 -2.056) 7.090 6.798 ( 7.934 -4.456 12.702) 15.625 8.175 ( 1.384 2.444 1.208) 3.057 8.277 ( -1.975 -2.394 5.359) 6.193 8.499 ( 1.405 -0.065 1.841) 2.317 10.046 ( -1.458 0.482 -1.325) 2.028 10.281 ( 0.252 -1.396 -2.594) 2.957 10.654 ( 5.480 -4.670 -2.417) 7.595 10.806 ( -1.373 1.665 -2.931) 3.640 11.316 ( -3.298 5.652 2.785) 7.112 11.616 ( -2.445 -1.902 0.138) 3.100 15.382 ( -1.739 3.088 -0.693) 3.611 15.626 ( -1.451 0.244 1.668) 2.224 15.651 ( -0.595 2.938 0.631) 3.064 15.807 ( 2.764 -3.932 -1.320) 4.985 15.945 ( 3.257 -1.894 -4.993) 6.255 16.142 ( -0.971 1.846 0.049) 2.086 23.390 ( 5.855 -3.926 1.106) 7.135 24.198 ( -3.299 6.772 3.514) 8.313 25.222 ( 8.279 -12.331 3.144) 15.181 25.575 ( 0.208 -1.284 4.279) 4.472 26.040 ( -4.426 8.645 -4.331) 10.634 26.259 ( -2.984 -1.405 -1.767) 3.742 34.782 ( -2.717 3.991 -5.312) 7.178 35.276 ( -2.237 -3.819 -3.822) 5.848 36.474 ( -0.137 0.776 3.159) 3.256 36.540 ( -0.289 0.405 4.878) 4.903 36.755 ( 3.194 -1.334 5.708) 6.676 37.906 ( 1.486 1.186 -7.488) 7.726 92.190 ( 0.360 -0.493 0.733) 0.954 93.805 ( -0.708 0.273 5.710) 5.760 93.901 ( -0.662 -0.534 4.859) 4.933 95.762 ( -0.565 2.460 -10.318) 10.622 95.879 ( -1.615 -0.665 -9.240) 9.404 98.480 ( 7.262 -0.495 22.579) 23.723 ======================= Grid point 453 (136/188) ======================= q-point: (-0.40 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -11.522 1.267 18.280) 21.646 2.525 ( -8.362 -0.763 14.420) 16.686 2.928 ( -1.097 1.075 9.244) 9.371 4.136 ( 8.644 4.480 -19.391) 21.698 4.489 ( 0.618 -1.469 -3.295) 3.660 4.894 ( 1.614 6.563 -6.666) 9.493 5.238 ( -0.134 6.629 -2.250) 7.002 5.411 ( 9.945 5.404 -3.539) 11.858 6.049 ( 2.103 -4.655 -4.126) 6.566 6.229 ( -1.585 -2.115 0.230) 2.653 6.549 ( -5.308 -6.877 -4.219) 9.657 6.944 ( 11.512 -1.776 12.718) 17.246 8.174 ( -4.577 -0.277 3.439) 5.732 8.261 ( 3.417 -0.082 2.881) 4.470 8.511 ( 0.249 -0.760 0.687) 1.054 10.041 ( -0.053 1.465 -0.176) 1.476 10.294 ( 1.506 0.865 -4.458) 4.784 10.669 ( 2.278 -6.153 -4.079) 7.726 10.791 ( -1.803 1.009 -3.923) 4.434 11.290 ( -4.224 2.215 3.468) 5.897 11.545 ( -3.921 -0.688 1.134) 4.140 15.399 ( -0.301 3.119 -0.175) 3.138 15.581 ( -2.941 -1.469 2.339) 4.034 15.656 ( -1.473 3.367 -1.606) 4.011 15.796 ( 1.479 -4.878 -2.187) 5.546 16.036 ( 5.701 0.123 -1.422) 5.877 16.168 ( 2.670 2.866 -0.439) 3.941 23.514 ( 11.166 -1.049 1.210) 11.281 24.214 ( -2.151 5.861 3.315) 7.069 25.255 ( 8.766 -10.450 2.709) 13.906 25.567 ( -0.070 -0.622 4.170) 4.216 26.029 ( -6.499 7.679 -4.569) 11.049 26.161 ( -5.790 -2.748 -1.519) 6.587 34.767 ( -2.684 2.373 -5.298) 6.396 35.145 ( -7.155 -4.601 -4.112) 9.448 36.474 ( -0.539 0.182 2.892) 2.948 36.520 ( -1.878 -0.564 4.742) 5.132 36.850 ( 7.280 1.291 5.933) 9.480 37.974 ( 4.355 1.949 -7.259) 8.687 92.192 ( 0.380 -0.383 0.614) 0.818 93.782 ( -1.550 -0.852 5.700) 5.968 93.878 ( -1.649 -0.019 4.423) 4.720 95.771 ( -0.935 1.754 -10.295) 10.486 95.830 ( -2.827 -1.173 -8.667) 9.191 98.709 ( 17.257 3.570 20.348) 26.918 ======================= Grid point 454 (137/188) ======================= q-point: (-0.30 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -9.929 0.964 21.836) 24.007 2.352 ( -9.939 -1.888 15.427) 18.449 2.888 ( -3.580 -0.063 10.968) 11.537 4.342 ( 12.672 -0.970 -14.610) 19.364 4.520 ( 1.844 3.423 1.567) 4.192 5.040 ( 6.791 8.810 -9.210) 14.442 5.324 ( 5.120 1.851 -2.479) 5.982 5.607 ( 6.807 1.527 -6.230) 9.353 6.020 ( -3.129 1.259 1.499) 3.691 6.198 ( 1.353 -4.828 0.304) 5.023 6.382 ( -7.363 -2.734 -9.375) 12.230 7.125 ( 11.078 -1.858 17.466) 20.766 8.085 ( -3.993 -1.100 3.646) 5.518 8.324 ( 1.808 1.665 0.802) 2.585 8.491 ( -0.619 -1.876 -2.115) 2.894 10.075 ( 1.632 2.533 0.648) 3.082 10.344 ( 2.013 2.636 -4.191) 5.344 10.607 ( -1.555 -7.104 -9.300) 11.806 10.770 ( -1.583 0.874 -3.249) 3.719 11.227 ( -2.962 -1.823 5.384) 6.410 11.474 ( -5.200 1.798 0.618) 5.536 15.420 ( -0.751 2.533 1.031) 2.836 15.508 ( -2.971 -2.503 1.693) 4.238 15.683 ( 0.101 4.386 -2.037) 4.837 15.772 ( 1.304 -4.685 -2.373) 5.412 16.088 ( 1.327 -0.133 0.611) 1.467 16.309 ( 8.915 2.746 -0.616) 9.348 23.732 ( 14.118 0.469 1.526) 14.208 24.237 ( -0.620 3.337 2.807) 4.405 25.318 ( 8.453 -6.432 1.900) 10.791 25.562 ( -0.238 0.169 3.470) 3.482 25.951 ( -9.795 3.408 -2.477) 10.663 26.027 ( -6.887 -0.885 -3.443) 7.750 34.740 ( -1.998 0.339 -5.076) 5.466 34.974 ( -8.171 -2.332 -4.632) 9.678 36.458 ( -1.177 -0.482 2.929) 3.193 36.477 ( -2.262 -0.304 4.364) 4.925 36.998 ( 7.661 1.444 6.177) 9.946 38.082 ( 5.914 1.471 -7.123) 9.374 92.196 ( 0.456 -0.188 0.426) 0.652 93.744 ( -1.498 -1.081 5.523) 5.823 93.843 ( -2.639 0.354 3.886) 4.711 95.756 ( -1.440 -2.019 -9.237) 9.564 95.775 ( -2.902 1.836 -8.734) 9.385 99.106 ( 23.572 4.100 15.524) 28.521 ======================= Grid point 459 (138/188) ======================= q-point: ( 0.20 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 8.027 9.681 18.153) 22.084 2.510 ( 4.235 8.375 13.551) 16.483 2.937 ( 0.749 1.588 9.298) 9.462 4.132 ( -8.147 -4.338 -18.261) 20.461 4.504 ( 0.852 -4.665 -5.365) 7.161 5.007 ( 0.914 -5.975 -3.913) 7.200 5.251 ( -4.443 1.581 -5.540) 7.276 5.519 ( 0.550 -7.993 -8.618) 11.767 6.014 ( -4.410 -7.621 0.471) 8.817 6.171 ( 1.189 7.518 0.764) 7.650 6.490 ( 4.195 3.529 -4.695) 7.217 6.916 ( -6.348 -9.319 14.963) 18.736 8.145 ( 0.294 4.588 3.572) 5.821 8.289 ( 0.363 -3.972 2.983) 4.981 8.487 ( -1.037 1.285 -0.171) 1.660 10.079 ( 1.360 -1.613 0.181) 2.117 10.350 ( 3.076 -3.841 -0.426) 4.939 10.523 ( -7.267 1.952 -9.384) 12.028 10.806 ( 1.139 1.750 -1.577) 2.616 11.297 ( 1.681 6.369 3.896) 7.653 11.566 ( 3.709 1.126 -0.256) 3.885 15.458 ( 2.547 -0.808 -0.498) 2.718 15.542 ( -0.257 4.269 1.820) 4.647 15.696 ( -4.497 0.903 -1.895) 4.963 15.722 ( 2.396 -1.098 -1.916) 3.259 16.042 ( -1.926 -4.471 -0.858) 4.943 16.208 ( -1.315 -3.939 -0.332) 4.166 23.504 ( -5.857 -11.009 1.771) 12.595 24.287 ( 1.405 3.051 3.117) 4.583 25.132 ( -4.865 -7.792 2.907) 9.636 25.566 ( 0.308 -0.334 3.717) 3.745 26.086 ( -0.537 8.388 -2.082) 8.659 26.155 ( 6.839 2.114 -3.992) 8.196 34.799 ( 2.061 4.016 -4.892) 6.656 35.088 ( 3.161 5.505 -4.501) 7.782 36.477 ( 0.579 1.278 3.231) 3.522 36.509 ( 0.628 1.560 4.534) 4.836 36.868 ( -3.689 -7.303 5.891) 10.082 37.993 ( -2.544 -4.244 -7.399) 8.901 92.188 ( -0.244 -0.306 0.720) 0.819 93.769 ( 0.775 2.033 5.875) 6.265 93.883 ( 1.142 0.999 4.257) 4.520 95.766 ( -0.728 2.624 -9.742) 10.115 95.839 ( 2.649 1.059 -9.520) 9.938 98.747 ( -9.711 -16.977 20.000) 27.974 ======================= Grid point 460 (139/188) ======================= q-point: ( 0.30 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 6.742 8.494 14.075) 17.768 2.640 ( 1.839 6.515 12.726) 14.414 2.933 ( -2.069 0.022 9.412) 9.637 4.002 ( -5.238 2.157 -21.487) 22.221 4.464 ( 1.600 -7.520 -10.903) 13.341 4.953 ( -1.718 -2.940 -2.244) 4.078 5.216 ( -4.392 6.728 -4.945) 9.434 5.468 ( -1.969 -1.170 -11.290) 11.520 5.849 ( -0.974 -11.851 -0.222) 11.893 6.284 ( 2.093 7.550 1.118) 7.914 6.581 ( 4.688 -1.137 -1.359) 5.011 6.736 ( -3.805 -9.160 13.793) 16.989 8.161 ( -1.266 1.134 3.202) 3.625 8.295 ( 1.974 0.546 4.487) 4.932 8.476 ( -0.770 -0.429 1.249) 1.529 10.087 ( 0.218 0.470 -0.142) 0.537 10.331 ( -1.610 -4.392 7.013) 8.430 10.463 ( 1.278 -1.152 -13.396) 13.506 10.838 ( 0.165 2.142 -1.809) 2.808 11.384 ( 0.054 7.324 2.970) 7.903 11.617 ( 2.120 -1.074 -0.358) 2.404 15.474 ( -1.008 0.516 -1.292) 1.717 15.581 ( 1.013 3.308 -1.270) 3.686 15.658 ( -0.997 1.356 2.076) 2.673 15.744 ( 1.464 -1.320 -2.186) 2.944 15.945 ( -2.092 -6.530 -2.998) 7.484 16.182 ( -0.640 0.570 0.240) 0.890 23.334 ( -2.465 -8.338 1.746) 8.868 24.338 ( -2.148 8.270 3.505) 9.235 25.006 ( 1.564 -11.917 3.535) 12.528 25.566 ( 0.249 -0.655 4.113) 4.173 26.139 ( -1.719 6.830 -2.840) 7.594 26.257 ( 3.273 0.479 -3.343) 4.703 34.871 ( -0.529 6.814 -4.904) 8.412 35.184 ( 4.496 0.128 -4.301) 6.223 36.499 ( 0.038 1.673 3.648) 4.013 36.525 ( 0.138 0.667 4.629) 4.679 36.747 ( -2.293 -5.867 5.658) 8.467 37.922 ( -1.810 -2.124 -7.773) 8.259 92.183 ( 0.007 -0.311 0.929) 0.980 93.805 ( 0.773 2.077 5.930) 6.330 93.900 ( 0.418 -0.338 4.838) 4.867 95.782 ( -0.586 2.860 -10.279) 10.685 95.879 ( 1.452 -0.095 -10.092) 10.196 98.477 ( -5.656 -9.834 22.771) 25.440 ======================= Grid point 461 (140/188) ======================= q-point: ( 0.40 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -4.211 3.594 12.599) 13.761 2.735 ( -1.321 3.457 12.388) 12.929 2.902 ( -0.248 1.460 9.735) 9.847 3.999 ( -0.768 6.415 -22.593) 23.498 4.417 ( 3.038 -9.242 -13.839) 16.917 4.911 ( -0.581 -0.495 -3.274) 3.362 5.243 ( -1.798 10.118 -2.722) 10.631 5.399 ( -7.224 3.071 -9.154) 12.059 5.796 ( 8.263 -11.732 -2.844) 14.629 6.368 ( -1.751 6.369 0.228) 6.609 6.596 ( 0.917 -7.118 3.448) 7.963 6.651 ( 4.047 -4.347 10.325) 11.911 8.160 ( 1.101 -0.105 4.123) 4.269 8.317 ( -2.189 1.919 3.951) 4.907 8.467 ( 1.385 -1.279 2.069) 2.799 10.089 ( -1.823 2.127 0.738) 2.897 10.266 ( -0.287 -2.683 2.723) 3.833 10.502 ( 5.129 -4.228 -9.161) 11.319 10.850 ( -1.131 1.869 -2.253) 3.138 11.432 ( -2.608 6.305 2.421) 7.240 11.616 ( -0.038 -2.288 0.223) 2.299 15.450 ( -2.596 2.308 -2.116) 4.068 15.637 ( 1.525 1.329 -1.151) 2.327 15.668 ( 0.403 0.883 2.178) 2.385 15.745 ( 0.362 -1.619 -1.192) 2.043 15.875 ( 1.355 -4.345 -4.182) 6.181 16.179 ( -1.077 1.536 0.326) 1.904 23.268 ( 2.634 -4.923 1.662) 5.825 24.365 ( -5.671 10.232 3.793) 12.298 24.959 ( 7.466 -12.909 3.692) 15.363 25.563 ( 0.210 -0.624 4.396) 4.445 26.167 ( -2.240 5.765 -3.591) 7.152 26.277 ( -0.541 -1.084 -2.670) 2.932 34.901 ( -4.131 7.067 -5.020) 9.603 35.228 ( 2.704 -4.373 -4.177) 6.624 36.499 ( -1.448 1.477 3.793) 4.320 36.542 ( 0.722 0.734 4.636) 4.749 36.690 ( 1.399 -3.496 5.639) 6.781 37.896 ( 0.226 -0.329 -7.942) 7.952 92.181 ( 0.195 -0.296 0.993) 1.054 93.827 ( -0.609 1.485 5.833) 6.050 93.897 ( 0.225 -0.922 5.208) 5.294 95.799 ( -0.753 2.664 -10.656) 11.010 95.885 ( -0.067 -1.115 -10.179) 10.240 98.378 ( 2.033 -3.579 23.678) 24.033 ======================= Grid point 463 (141/188) ======================= q-point: (-0.50 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -10.828 2.399 14.421) 18.193 2.658 ( -7.311 -0.109 13.041) 14.951 2.939 ( 1.075 1.064 8.902) 9.030 4.063 ( 2.743 1.693 -21.013) 21.259 4.418 ( 4.725 -2.623 -12.379) 13.507 4.928 ( 1.279 2.422 -4.022) 4.866 5.306 ( -4.303 -0.580 -5.367) 6.903 5.357 ( 3.492 9.304 -4.352) 10.849 5.873 ( 10.277 -5.819 -3.478) 12.312 6.313 ( -7.159 0.076 2.238) 7.501 6.553 ( -1.057 -3.103 -1.525) 3.615 6.742 ( 9.731 -1.631 12.275) 15.749 8.195 ( 2.831 -1.233 4.540) 5.491 8.261 ( -4.619 1.440 3.353) 5.886 8.489 ( 1.524 -0.756 1.606) 2.339 10.071 ( -1.672 1.529 1.132) 2.533 10.281 ( 2.049 1.798 -0.211) 2.734 10.535 ( 4.483 -6.322 -7.944) 11.098 10.837 ( -2.008 1.033 -2.168) 3.130 11.405 ( -5.633 2.181 2.407) 6.503 11.587 ( -1.401 -0.214 0.666) 1.566 15.444 ( -1.244 2.939 -1.772) 3.651 15.619 ( -2.887 -1.310 2.479) 4.024 15.689 ( 1.119 0.066 -3.457) 3.635 15.729 ( 0.150 -2.229 -0.140) 2.239 15.928 ( 6.429 0.094 -3.003) 7.096 16.176 ( -0.577 1.287 0.437) 1.477 23.329 ( 8.198 -1.639 1.670) 8.526 24.343 ( -5.958 5.710 3.672) 9.032 25.007 ( 9.769 -7.546 3.474) 12.823 25.562 ( 0.194 -0.200 4.307) 4.316 26.175 ( -3.057 4.852 -4.057) 7.024 26.219 ( -4.169 -2.375 -2.195) 5.276 34.870 ( -5.484 3.787 -5.045) 8.358 35.187 ( -2.378 -3.983 -4.210) 6.264 36.491 ( -0.963 0.930 3.380) 3.636 36.541 ( -1.085 -0.549 4.735) 4.889 36.738 ( 6.119 -0.206 5.780) 8.420 37.923 ( 2.793 0.432 -7.761) 8.259 92.183 ( 0.299 -0.211 0.911) 0.982 93.809 ( -2.029 -0.003 5.909) 6.248 93.894 ( -0.157 -0.038 4.893) 4.895 95.801 ( -1.297 0.792 -10.689) 10.796 95.862 ( -1.426 -0.312 -9.719) 9.828 98.477 ( 11.298 0.051 22.788) 25.435 ======================= Grid point 467 (142/188) ======================= q-point: (-0.10 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -3.560 4.492 20.505) 21.291 2.181 ( -4.109 7.432 21.136) 22.778 2.815 ( -1.282 1.938 14.877) 15.058 4.442 ( 6.657 -5.138 5.501) 10.049 4.666 ( 7.949 -15.445 -9.554) 19.824 5.117 ( 1.360 -7.921 -6.916) 10.603 5.334 ( 6.760 -12.522 -3.088) 14.561 5.787 ( 3.085 -3.714 -5.171) 7.075 6.029 ( -7.232 10.159 -5.811) 13.758 6.136 ( -1.008 5.483 1.418) 5.752 6.320 ( -4.822 4.221 -10.188) 12.036 7.347 ( 3.545 -2.095 26.833) 27.147 8.101 ( -4.073 0.160 1.182) 4.244 8.220 ( 1.696 2.597 -4.866) 5.771 8.509 ( 1.060 -0.318 -4.212) 4.355 10.168 ( -3.520 -4.284 0.041) 5.545 10.335 ( 1.480 4.420 2.423) 5.253 10.544 ( 2.927 -0.762 -17.246) 17.509 10.723 ( 0.470 -1.481 -2.087) 2.602 11.226 ( 2.762 4.403 5.029) 7.232 11.370 ( -7.767 3.387 -0.134) 8.474 15.373 ( -0.069 -0.353 2.777) 2.800 15.489 ( -1.468 3.048 1.289) 3.620 15.629 ( 3.363 -5.707 -0.739) 6.665 15.830 ( -0.430 1.915 -3.120) 3.686 16.109 ( -0.055 -0.009 0.649) 0.652 16.483 ( 3.668 -7.439 -0.603) 8.316 24.011 ( 7.231 -11.076 1.440) 13.306 24.235 ( -1.190 -0.287 2.398) 2.693 25.545 ( -0.394 0.733 2.409) 2.549 25.600 ( 3.113 2.019 -2.722) 4.602 25.752 ( -1.700 1.448 -2.039) 3.024 25.781 ( -6.862 6.110 -0.109) 9.189 34.722 ( 0.663 1.605 -5.169) 5.453 34.824 ( -4.309 5.019 -4.727) 8.130 36.418 ( 0.066 1.025 3.693) 3.834 36.454 ( -1.474 1.691 3.311) 3.999 37.126 ( 2.559 -4.738 6.428) 8.386 38.181 ( 3.228 -5.476 -7.099) 9.529 92.208 ( 0.107 -0.088 0.098) 0.170 93.744 ( 0.123 2.312 4.579) 5.131 93.773 ( -2.259 1.146 3.983) 4.720 95.674 ( 1.050 0.208 -7.659) 7.733 95.769 ( -1.994 1.708 -8.821) 9.203 99.547 ( 11.031 -19.219 8.633) 23.782 ======================= Grid point 471 (143/188) ======================= q-point: ( 0.30 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 3.459 3.531 12.094) 13.065 2.750 ( 0.908 3.391 12.385) 12.873 2.920 ( -0.637 -0.934 9.140) 9.209 4.094 ( 1.604 6.065 -21.282) 22.187 4.290 ( -3.161 -8.467 -17.679) 19.856 4.903 ( -0.715 -1.522 -4.452) 4.759 5.381 ( -0.460 9.397 -5.172) 10.736 5.447 ( 7.063 -1.786 -9.205) 11.739 5.637 ( -7.316 -8.858 -0.458) 11.498 6.432 ( 2.180 6.983 2.925) 7.878 6.539 ( 1.728 -3.386 1.762) 4.190 6.586 ( -4.789 -5.005 11.378) 13.321 8.151 ( -0.798 -0.946 5.340) 5.481 8.353 ( 2.565 3.836 3.212) 5.623 8.443 ( -1.767 -2.602 2.390) 3.950 10.127 ( 1.914 3.248 2.836) 4.717 10.233 ( -1.855 -4.621 5.407) 7.350 10.445 ( -1.368 -0.778 -13.626) 13.717 10.870 ( 0.541 0.913 -2.456) 2.676 11.505 ( 1.892 4.457 1.903) 5.203 11.585 ( -0.363 -1.958 0.920) 2.194 15.485 ( 0.933 0.557 -3.195) 3.374 15.638 ( -0.963 2.109 -0.409) 2.355 15.660 ( 0.324 -1.203 1.027) 1.615 15.747 ( 1.075 1.778 -1.612) 2.630 15.829 ( -2.233 -4.638 -2.978) 5.947 16.197 ( 0.406 0.615 0.437) 0.856 23.219 ( -1.702 -3.051 1.836) 3.947 24.517 ( 4.997 8.900 3.899) 10.926 24.781 ( -5.734 -10.059 3.882) 12.212 25.557 ( -0.079 -0.203 4.504) 4.510 26.232 ( 0.191 2.368 -3.098) 3.904 26.257 ( 1.159 -0.067 -3.193) 3.397 35.006 ( 3.596 6.072 -4.787) 8.527 35.149 ( -2.008 -3.254 -4.459) 5.874 36.524 ( 1.457 1.000 3.995) 4.368 36.543 ( -0.796 0.644 4.504) 4.619 36.652 ( -1.481 -3.102 5.686) 6.645 37.892 ( -0.477 -0.809 -8.113) 8.167 92.178 ( -0.072 -0.114 1.087) 1.095 93.845 ( 0.926 1.822 5.822) 6.170 93.884 ( -0.517 -1.141 5.404) 5.548 95.831 ( 0.565 1.879 -10.772) 10.949 95.867 ( -0.034 -0.926 -10.542) 10.582 98.343 ( -2.032 -3.535 24.035) 24.379 ======================= Grid point 476 (144/188) ======================= q-point: (-0.20 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -7.137 4.804 18.408) 20.319 2.309 ( -4.049 3.902 21.825) 22.538 2.860 ( -1.510 0.942 11.948) 12.080 4.209 ( 10.712 -6.973 -9.809) 16.112 4.470 ( 1.103 -10.096 1.641) 10.288 4.944 ( 7.772 -10.036 -5.063) 13.666 5.158 ( 1.338 -9.002 -1.434) 9.213 5.671 ( 4.974 -6.691 -7.351) 11.115 6.045 ( 2.275 -1.263 -2.881) 3.882 6.350 ( -4.517 14.410 -3.403) 15.480 6.471 ( -7.549 4.666 -8.222) 12.098 7.240 ( 6.370 -1.511 19.100) 20.191 8.149 ( 1.351 2.785 0.835) 3.206 8.248 ( -4.701 -0.410 -3.146) 5.671 8.481 ( 2.208 0.552 0.215) 2.286 10.186 ( -2.768 -3.630 -2.150) 5.046 10.361 ( 1.984 5.189 2.488) 6.087 10.497 ( 0.014 -0.782 -13.610) 13.633 10.711 ( -0.431 -1.561 1.127) 1.973 11.231 ( 2.230 4.839 4.921) 7.253 11.519 ( -6.404 1.560 -1.951) 6.873 15.385 ( -1.611 -0.145 2.869) 3.294 15.486 ( 3.994 -4.916 2.632) 6.859 15.561 ( -1.683 0.806 -0.563) 1.949 15.853 ( 0.180 2.445 -3.467) 4.246 16.111 ( 0.054 0.297 0.663) 0.729 16.329 ( 5.388 -7.246 -2.653) 9.411 23.764 ( 8.087 -10.689 1.139) 13.452 24.260 ( 0.500 3.622 1.846) 4.096 25.551 ( 2.853 -0.507 -2.138) 3.600 25.568 ( -3.043 -2.947 0.740) 4.301 25.751 ( 4.106 7.530 0.477) 8.590 26.009 ( -11.106 2.447 -0.125) 11.373 34.732 ( 0.732 2.654 -5.025) 5.730 34.972 ( -7.023 4.780 -4.564) 9.643 36.431 ( -0.296 1.018 3.810) 3.955 36.500 ( -1.624 1.789 3.676) 4.399 37.015 ( 4.410 -5.269 5.937) 9.081 38.056 ( 4.473 -5.798 -6.689) 9.918 92.207 ( 0.123 0.282 0.209) 0.372 93.764 ( 0.028 2.331 4.879) 5.407 93.832 ( -2.985 1.075 3.925) 5.046 95.665 ( 0.070 0.078 -7.631) 7.632 95.815 ( -1.823 0.810 -8.830) 9.053 99.132 ( 15.002 -16.839 14.948) 27.057 ======================= Grid point 477 (145/188) ======================= q-point: (-0.10 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -2.671 6.221 20.718) 21.796 2.319 ( -0.862 6.469 20.813) 21.812 2.860 ( -0.237 2.096 11.345) 11.540 4.313 ( 9.058 -10.077 -11.313) 17.652 4.390 ( 2.740 -8.785 2.302) 9.486 4.985 ( 2.128 -5.339 -7.693) 9.602 5.088 ( 6.722 -12.101 0.155) 13.844 5.647 ( 1.358 -9.240 -4.674) 10.444 6.062 ( 0.813 -1.435 -1.323) 2.115 6.350 ( -8.087 8.309 -3.181) 12.023 6.456 ( -3.508 11.374 -9.271) 15.087 7.266 ( 0.719 -6.303 16.796) 17.954 8.123 ( -3.977 2.249 1.692) 4.872 8.266 ( 2.643 1.643 -1.992) 3.695 8.509 ( 0.655 0.351 -0.268) 0.790 10.098 ( -3.015 -2.634 -1.479) 4.268 10.370 ( -2.419 -0.407 0.305) 2.471 10.589 ( 6.422 4.709 -14.880) 16.877 10.702 ( 0.767 -0.928 1.936) 2.280 11.305 ( -0.322 2.990 2.989) 4.240 11.432 ( -4.279 3.214 1.139) 5.471 15.368 ( 0.110 -0.706 3.011) 3.095 15.522 ( 5.273 -4.137 0.305) 6.709 15.549 ( -1.541 2.677 1.161) 3.299 15.869 ( -1.097 2.030 -3.459) 4.158 16.109 ( -0.400 0.031 0.659) 0.771 16.310 ( 2.214 -9.655 -2.255) 10.159 23.773 ( 5.857 -12.157 0.794) 13.518 24.236 ( -4.880 0.323 1.990) 5.280 25.532 ( 1.283 -1.645 0.785) 2.228 25.635 ( 6.759 1.403 -2.294) 7.275 25.771 ( -11.555 1.125 1.918) 11.768 25.947 ( 1.574 8.969 -0.908) 9.151 34.752 ( -1.384 1.282 -5.431) 5.749 34.956 ( -1.598 8.043 -4.301) 9.260 36.445 ( 0.298 1.562 3.800) 4.120 36.491 ( -1.401 1.929 3.543) 4.270 37.010 ( 1.958 -6.857 6.039) 9.345 38.058 ( 2.910 -6.681 -6.681) 9.886 92.208 ( -0.207 0.100 0.166) 0.284 93.795 ( -2.555 1.664 4.565) 5.489 93.798 ( 0.835 2.434 4.332) 5.039 95.685 ( 1.636 0.800 -7.850) 8.058 95.800 ( -1.234 1.369 -8.706) 8.899 99.130 ( 6.960 -21.504 14.982) 27.116 ======================= Grid point 487 (146/188) ======================= q-point: (-0.30 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -7.781 3.031 15.553) 17.653 2.392 ( -3.581 -0.495 19.553) 19.884 2.859 ( 1.027 -2.059 11.919) 12.139 4.018 ( 5.852 -2.150 -15.406) 16.620 4.398 ( -3.211 -8.601 3.431) 9.801 4.714 ( 6.141 -10.911 -0.961) 12.557 5.089 ( -0.530 -3.194 -1.959) 3.784 5.475 ( 9.713 -6.967 -8.943) 14.928 6.011 ( -1.826 -4.400 -5.498) 7.275 6.507 ( 1.558 13.165 -6.852) 14.923 6.648 ( -6.317 5.271 -1.102) 8.301 7.120 ( 5.965 -0.669 11.541) 13.008 8.138 ( 1.930 2.304 -1.421) 3.325 8.336 ( -4.597 0.160 0.569) 4.635 8.451 ( 1.982 1.192 2.932) 3.734 10.179 ( 1.369 -0.700 -2.568) 2.993 10.356 ( 2.082 2.898 -6.270) 7.214 10.549 ( -5.254 -0.289 -1.126) 5.381 10.703 ( -1.107 -2.433 0.623) 2.745 11.240 ( 2.228 4.835 4.636) 7.059 11.612 ( -3.694 -0.449 -1.931) 4.192 15.363 ( 3.196 -5.384 2.360) 6.691 15.427 ( -3.515 -0.478 3.474) 4.965 15.600 ( -1.146 0.753 0.459) 1.446 15.873 ( 0.443 2.714 -3.670) 4.586 16.112 ( 0.363 0.538 0.715) 0.965 16.174 ( 4.959 -5.435 -4.910) 8.846 23.550 ( 5.348 -8.479 0.678) 10.047 24.281 ( 3.708 7.662 1.450) 8.635 25.495 ( -0.072 -4.949 -2.757) 5.666 25.597 ( -3.855 -3.613 1.894) 5.613 25.764 ( 4.141 9.179 1.391) 10.165 26.180 ( -6.782 0.619 -0.461) 6.826 34.748 ( 0.984 3.570 -4.988) 6.212 35.141 ( -7.665 2.793 -4.031) 9.099 36.447 ( -0.350 1.086 3.785) 3.953 36.538 ( -0.776 1.361 4.245) 4.525 36.886 ( 4.432 -4.596 5.338) 8.323 37.932 ( 3.462 -4.870 -6.555) 8.870 92.209 ( 0.113 0.595 0.240) 0.652 93.788 ( -0.264 1.995 5.177) 5.554 93.885 ( -2.027 0.564 4.089) 4.599 95.672 ( -0.759 0.118 -7.920) 7.957 95.843 ( -1.330 -0.812 -8.456) 8.598 98.756 ( 12.017 -10.686 19.170) 25.022 ======================= Grid point 488 (147/188) ======================= q-point: (-0.20 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -5.337 3.980 18.973) 20.107 2.373 ( 0.013 2.763 19.790) 19.982 2.861 ( 1.051 -0.950 11.116) 11.206 4.098 ( 6.662 -4.249 -13.644) 15.767 4.278 ( 0.175 -8.283 2.173) 8.565 4.759 ( 10.284 -9.183 -0.548) 13.798 5.021 ( -3.100 -3.948 -2.109) 5.444 5.519 ( 3.622 -8.143 -7.879) 11.895 5.981 ( 3.623 -4.318 -3.789) 6.792 6.575 ( -8.658 5.911 -3.468) 11.042 6.629 ( -2.134 12.592 -6.674) 14.410 7.169 ( 3.195 -5.525 10.916) 12.645 8.188 ( 0.007 1.145 0.759) 1.374 8.274 ( -2.512 2.683 -0.552) 3.717 8.493 ( 1.656 0.528 1.995) 2.646 10.141 ( -3.781 -0.964 -2.767) 4.783 10.421 ( -2.276 0.411 5.309) 5.791 10.513 ( 5.158 2.914 -16.136) 17.189 10.679 ( 0.449 -1.738 2.728) 3.266 11.333 ( 1.628 4.931 3.399) 6.207 11.529 ( -4.760 -0.326 0.141) 4.773 15.346 ( 1.006 -5.155 4.537) 6.941 15.420 ( 2.389 0.797 0.726) 2.621 15.591 ( -0.947 1.009 1.311) 1.906 15.902 ( -0.210 2.457 -3.806) 4.535 16.116 ( -0.153 0.129 0.345) 0.399 16.178 ( 2.766 -7.464 -4.266) 9.031 23.555 ( 6.054 -9.808 0.527) 11.538 24.352 ( -4.620 5.339 0.965) 7.126 25.431 ( 4.473 -6.803 -4.081) 9.107 25.587 ( 0.938 0.880 3.088) 3.345 25.901 ( -0.028 6.146 1.333) 6.288 26.061 ( -6.741 3.200 0.036) 7.461 34.797 ( -0.922 3.643 -5.078) 6.317 35.067 ( -3.729 4.666 -4.082) 7.235 36.459 ( -0.004 1.769 3.978) 4.354 36.533 ( -1.366 1.447 3.827) 4.313 36.898 ( 3.195 -6.297 5.480) 8.939 37.938 ( 3.419 -5.756 -6.395) 9.258 92.214 ( -0.175 0.424 0.117) 0.473 93.811 ( 0.333 2.235 4.743) 5.254 93.853 ( -2.391 1.026 4.368) 5.084 95.675 ( 0.443 0.826 -7.575) 7.633 95.820 ( -0.508 -0.338 -8.336) 8.358 98.807 ( 8.590 -15.045 18.502) 25.347 ======================= Grid point 489 (148/188) ======================= q-point: (-0.10 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -0.398 5.583 20.199) 20.960 2.433 ( 2.134 4.871 17.658) 18.441 2.875 ( 1.495 -0.828 10.330) 10.471 4.102 ( 1.541 -8.785 -17.637) 19.764 4.309 ( 8.595 -1.344 4.642) 9.861 4.854 ( 9.551 -11.459 4.192) 15.495 4.934 ( -1.812 0.577 -8.847) 9.049 5.449 ( -0.479 -10.321 -5.733) 11.816 6.036 ( 5.201 -0.955 -3.838) 6.534 6.466 ( -10.328 4.734 -4.285) 12.142 6.689 ( -3.893 10.278 -5.877) 12.463 7.118 ( -1.335 -7.842 10.871) 13.471 8.165 ( -2.051 1.198 0.723) 2.483 8.293 ( 0.122 1.673 1.715) 2.399 8.515 ( 0.664 -0.011 1.431) 1.578 10.069 ( -3.232 -0.313 -2.708) 4.228 10.361 ( -3.395 -0.104 -2.546) 4.245 10.674 ( 5.650 1.833 -8.004) 9.967 10.686 ( 3.611 0.664 1.208) 3.865 11.325 ( -4.789 -0.883 1.641) 5.139 11.510 ( 0.504 4.530 2.598) 5.246 15.325 ( 1.594 -3.262 3.035) 4.732 15.493 ( 4.605 0.987 0.155) 4.712 15.590 ( -0.313 1.199 2.594) 2.874 15.910 ( -1.578 2.045 -3.571) 4.407 16.109 ( -1.178 -0.877 0.664) 1.612 16.127 ( 1.134 -7.469 -4.532) 8.810 23.558 ( 4.758 -9.074 0.419) 10.255 24.247 ( -8.864 0.777 1.537) 9.030 25.496 ( 4.230 -1.780 -0.103) 4.591 25.651 ( 7.352 0.252 -0.601) 7.381 25.791 ( -11.681 0.782 2.082) 11.891 26.109 ( 2.028 7.140 -0.622) 7.449 34.771 ( -3.327 0.611 -5.356) 6.335 35.123 ( 1.414 8.267 -3.859) 9.232 36.476 ( -0.132 1.456 3.691) 3.970 36.523 ( -1.016 1.059 3.939) 4.203 36.873 ( 1.306 -6.392 5.661) 8.637 37.934 ( 2.589 -5.434 -6.539) 8.888 92.211 ( -0.497 0.193 0.175) 0.561 93.815 ( -1.602 0.670 4.766) 5.073 93.853 ( 0.345 2.614 4.634) 5.331 95.699 ( 1.457 0.539 -8.300) 8.444 95.822 ( 0.419 0.909 -8.216) 8.276 98.753 ( 3.145 -15.751 19.228) 25.054 ======================= Grid point 498 (149/188) ======================= q-point: (-0.40 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -0.812 -4.204 15.739) 16.311 2.456 ( -5.917 -1.304 14.986) 16.165 2.820 ( 0.251 -1.293 12.363) 12.433 3.956 ( 1.581 1.401 -16.440) 16.576 4.388 ( -4.292 -9.862 -2.540) 11.051 4.562 ( -1.350 -7.209 9.210) 11.774 5.118 ( -3.179 1.611 -2.398) 4.295 5.234 ( 10.435 -4.422 -11.963) 16.479 6.012 ( -4.363 -6.718 -6.531) 10.336 6.565 ( 5.813 11.541 -6.787) 14.596 6.773 ( -2.645 4.807 1.858) 5.793 7.033 ( 4.111 0.515 6.294) 7.535 8.140 ( 0.407 2.200 -1.334) 2.605 8.371 ( 1.125 0.455 2.862) 3.109 8.460 ( -1.855 1.068 2.726) 3.466 10.132 ( 3.986 1.228 -3.222) 5.271 10.361 ( 0.722 2.263 -6.409) 6.835 10.625 ( -3.973 -1.454 3.465) 5.469 10.708 ( -2.948 -3.538 -2.639) 5.308 11.255 ( 1.551 5.087 4.052) 6.686 11.635 ( -0.631 -2.232 -0.765) 2.443 15.284 ( 0.392 -4.014 2.889) 4.961 15.491 ( -4.136 -0.628 3.498) 5.453 15.606 ( 0.078 -1.393 0.605) 1.521 15.896 ( 0.053 3.038 -3.775) 4.846 16.060 ( 3.642 -1.984 -5.587) 6.958 16.113 ( 0.202 0.114 0.032) 0.234 23.429 ( 0.609 -5.193 0.296) 5.237 24.282 ( 6.243 9.815 1.233) 11.697 25.464 ( -2.622 -5.876 -1.496) 6.606 25.625 ( -4.373 -4.970 1.398) 6.766 25.785 ( 4.391 9.513 1.610) 10.600 26.249 ( -1.873 -1.566 -0.684) 2.535 34.766 ( 1.471 4.056 -5.049) 6.641 35.260 ( -4.474 -1.194 -3.520) 5.817 36.466 ( -0.452 1.744 3.484) 3.922 36.547 ( 0.696 0.416 4.728) 4.797 36.794 ( 1.735 -2.575 5.059) 5.935 37.856 ( 0.588 -3.027 -6.597) 7.282 92.213 ( 0.223 0.684 0.209) 0.749 93.810 ( -0.111 1.571 5.276) 5.506 93.908 ( -0.430 -0.269 4.414) 4.443 95.690 ( -0.983 0.085 -8.390) 8.448 95.846 ( -0.946 -2.162 -7.923) 8.267 98.540 ( 4.514 -3.643 20.944) 21.733 ======================= Grid point 499 (150/188) ======================= q-point: (-0.30 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -5.522 -0.152 17.835) 18.670 2.371 ( 1.221 -0.588 16.547) 16.603 2.821 ( 1.296 -1.375 11.791) 11.941 4.003 ( 2.831 0.394 -12.462) 12.786 4.227 ( -3.202 -7.991 -2.123) 8.866 4.531 ( 5.680 -7.609 6.235) 11.359 5.070 ( -4.011 1.490 -2.829) 5.129 5.357 ( 7.678 -5.132 -9.418) 13.190 5.894 ( -0.380 -6.654 -6.562) 9.353 6.728 ( -0.317 8.222 -8.679) 11.959 6.767 ( -3.056 6.996 1.236) 7.734 7.071 ( 2.435 -3.913 6.021) 7.582 8.181 ( 1.384 1.774 -0.481) 2.300 8.359 ( -3.244 1.967 1.180) 3.973 8.468 ( 1.477 0.370 2.916) 3.289 10.188 ( -0.536 1.794 -2.289) 2.957 10.403 ( 2.811 0.964 -2.331) 3.777 10.528 ( -3.710 -1.136 -5.859) 7.027 10.657 ( -0.255 -1.993 0.479) 2.065 11.349 ( 2.352 5.683 4.227) 7.463 11.579 ( -2.796 -2.630 0.494) 3.870 15.260 ( 1.682 -4.505 4.683) 6.713 15.441 ( -1.921 1.568 1.771) 3.048 15.594 ( 0.299 -1.562 1.128) 1.949 15.926 ( 0.172 2.607 -4.180) 4.930 16.076 ( 1.882 -4.121 -6.199) 7.678 16.122 ( 0.236 0.346 1.039) 1.120 23.395 ( 2.742 -6.662 0.108) 7.205 24.473 ( 0.948 11.389 0.137) 11.429 25.296 ( -0.766 -12.330 -3.885) 12.950 25.589 ( -0.137 0.344 3.696) 3.715 25.943 ( 2.899 8.210 1.183) 8.787 26.177 ( -4.776 -0.900 0.078) 4.861 34.847 ( 1.006 6.178 -4.729) 7.845 35.160 ( -4.613 -0.934 -3.727) 6.003 36.481 ( -0.305 2.333 3.881) 4.539 36.559 ( -0.199 0.715 4.292) 4.356 36.792 ( 2.331 -4.711 4.930) 7.206 37.842 ( 1.887 -3.903 -6.301) 7.648 92.221 ( -0.039 0.547 0.035) 0.549 93.829 ( 0.157 2.014 5.006) 5.398 93.890 ( -1.316 -0.035 4.428) 4.620 95.685 ( -0.365 1.112 -7.552) 7.642 95.812 ( -0.231 -2.142 -7.718) 8.013 98.572 ( 5.392 -7.491 20.224) 22.230 ======================= Grid point 500 (151/188) ======================= q-point: (-0.20 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -2.131 1.937 18.966) 19.184 2.417 ( 3.298 1.413 16.567) 16.951 2.832 ( 1.508 -1.652 11.066) 11.290 4.032 ( 0.221 -2.790 -14.385) 14.654 4.176 ( 4.846 -1.660 0.601) 5.158 4.582 ( 8.834 -8.367 6.257) 13.683 5.021 ( -4.332 3.821 -5.015) 7.650 5.358 ( 0.567 -8.146 -8.049) 11.466 5.904 ( 6.805 -3.092 -6.199) 9.711 6.684 ( -8.719 4.856 -3.840) 10.693 6.828 ( -1.983 6.939 -6.026) 9.401 7.051 ( 1.029 -5.409 7.958) 9.677 8.195 ( -0.918 -0.285 0.108) 0.967 8.335 ( -2.093 3.174 1.661) 4.149 8.494 ( 1.395 -0.528 2.200) 2.658 10.145 ( -4.936 1.273 -2.796) 5.814 10.411 ( -1.892 -0.844 0.816) 2.226 10.572 ( 7.039 2.056 -10.803) 13.056 10.646 ( 0.773 -1.268 2.215) 2.667 11.393 ( -3.232 0.453 2.165) 3.917 11.534 ( 0.463 1.543 2.804) 3.234 15.254 ( 2.321 -3.453 4.689) 6.269 15.459 ( 1.414 2.473 0.839) 2.970 15.587 ( 0.694 -1.324 2.014) 2.508 15.947 ( -0.577 1.860 -4.064) 4.506 16.052 ( 0.464 -4.468 -6.212) 7.666 16.121 ( -0.490 0.037 0.952) 1.072 23.398 ( 4.682 -5.745 0.082) 7.412 24.456 ( -11.627 4.812 0.056) 12.584 25.307 ( 11.656 -5.331 -3.352) 13.248 25.596 ( 0.808 0.127 3.202) 3.305 25.968 ( -7.487 1.093 1.655) 7.745 26.141 ( 0.988 4.314 -0.175) 4.430 34.858 ( -5.078 2.175 -4.841) 7.345 35.150 ( 2.431 3.537 -3.671) 5.648 36.498 ( -0.464 2.051 4.039) 4.553 36.549 ( -1.311 -0.029 3.901) 4.115 36.786 ( 2.379 -4.414 5.142) 7.182 37.843 ( 2.527 -3.590 -6.298) 7.677 92.222 ( -0.391 0.303 0.015) 0.495 93.842 ( -0.929 0.690 4.772) 4.910 93.876 ( -0.362 1.315 4.702) 4.896 95.693 ( 0.035 0.882 -7.657) 7.708 95.806 ( 1.353 -0.894 -7.655) 7.825 98.571 ( 3.700 -8.411 20.242) 22.230 ======================= Grid point 501 (152/188) ======================= q-point: (-0.10 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 3.017 4.637 17.594) 18.443 2.495 ( 4.030 0.865 15.008) 15.564 2.838 ( 1.480 -2.193 11.161) 11.470 3.983 ( -1.255 -3.493 -17.060) 17.459 4.327 ( 10.374 3.013 0.125) 10.803 4.646 ( 8.153 -8.815 8.706) 14.832 5.019 ( -1.819 7.726 -8.608) 11.709 5.260 ( -1.331 -8.331 -7.185) 11.082 6.022 ( 8.089 -0.588 -5.900) 10.029 6.542 ( -12.242 2.806 -5.230) 13.605 6.819 ( -3.670 1.733 -2.955) 5.020 7.005 ( -2.283 -2.028 8.526) 9.056 8.162 ( -1.489 -1.106 -0.656) 1.967 8.336 ( -1.472 2.362 3.427) 4.415 8.501 ( 0.540 -1.514 2.152) 2.686 10.084 ( -3.493 1.761 -3.341) 5.144 10.364 ( -3.032 0.197 -4.420) 5.363 10.659 ( 2.346 -1.177 3.992) 4.777 10.718 ( 6.989 0.382 -6.261) 9.391 11.290 ( -5.370 -2.143 2.855) 6.449 11.593 ( 1.864 3.486 1.110) 4.106 15.274 ( 2.845 -1.294 2.967) 4.309 15.523 ( 3.518 0.850 1.654) 3.979 15.594 ( 1.122 -0.270 2.278) 2.554 15.930 ( -2.145 -1.026 -3.118) 3.921 16.017 ( -0.820 -1.053 -6.375) 6.513 16.112 ( -0.389 0.031 0.219) 0.448 23.432 ( 4.150 -3.436 0.217) 5.392 24.265 ( -11.536 1.014 1.259) 11.649 25.468 ( 6.143 -0.925 -0.599) 6.241 25.646 ( 7.131 -0.721 0.626) 7.195 25.797 ( -10.823 -0.200 1.770) 10.969 26.218 ( 2.045 3.748 -0.670) 4.322 34.775 ( -4.276 -0.167 -5.187) 6.725 35.252 ( 3.404 4.035 -3.466) 6.315 36.490 ( -1.468 -0.483 3.137) 3.497 36.533 ( -0.310 0.515 4.751) 4.789 36.785 ( 1.116 -2.028 5.337) 5.817 37.857 ( 2.367 -2.150 -6.588) 7.323 92.214 ( -0.676 0.061 0.178) 0.702 93.820 ( -1.302 -0.141 5.119) 5.284 93.895 ( 0.378 1.479 4.633) 4.878 95.702 ( 0.766 -0.284 -8.610) 8.649 95.837 ( 2.081 0.639 -7.769) 8.068 98.538 ( 0.860 -5.603 20.974) 21.726 ======================= Grid point 508 (153/188) ======================= q-point: (-0.40 0.60 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 1.652 -1.849 17.043) 17.223 2.416 ( -3.589 -2.725 16.074) 16.693 2.809 ( -0.627 -0.161 11.575) 11.593 3.992 ( 0.275 2.333 -12.246) 12.469 4.195 ( -2.120 -8.418 -5.365) 10.205 4.463 ( -4.758 -3.513 11.889) 13.279 5.137 ( 4.655 -0.282 -3.548) 5.860 5.221 ( -1.282 2.849 -10.310) 10.773 5.869 ( -4.418 -6.960 -7.565) 11.189 6.751 ( 5.951 7.116 -6.094) 11.099 6.864 ( -1.333 3.917 -1.324) 4.345 7.012 ( 0.701 -2.215 5.132) 5.633 8.184 ( 0.431 1.884 -0.417) 1.977 8.385 ( 2.090 0.926 2.131) 3.125 8.471 ( -1.733 -0.080 2.360) 2.929 10.180 ( 4.167 3.660 -2.147) 5.947 10.394 ( -0.581 0.375 -2.894) 2.976 10.571 ( -4.070 -3.805 -2.219) 5.997 10.645 ( -0.251 -1.773 -3.124) 3.601 11.372 ( 1.686 5.999 3.867) 7.334 11.573 ( -0.349 -3.809 1.813) 4.233 15.220 ( -1.149 -2.304 4.833) 5.476 15.486 ( -1.099 -0.016 1.868) 2.167 15.567 ( -0.530 -2.073 0.970) 2.349 15.951 ( -0.109 2.415 -4.485) 5.095 16.024 ( 0.858 -1.438 -6.114) 6.339 16.121 ( 0.280 0.453 0.902) 1.047 23.339 ( -2.131 -3.501 -0.094) 4.100 24.517 ( 8.425 13.193 -0.305) 15.657 25.243 ( -8.409 -13.521 -3.249) 16.250 25.595 ( -0.415 -0.213 3.512) 3.543 25.967 ( 3.809 8.275 1.377) 9.213 26.200 ( -0.514 -3.249 -0.093) 3.290 34.875 ( 3.317 6.600 -4.644) 8.726 35.192 ( -2.515 -5.188 -3.503) 6.746 36.513 ( -0.112 2.479 3.547) 4.329 36.550 ( 1.241 0.037 4.563) 4.729 36.743 ( -1.089 -2.352 4.871) 5.518 37.806 ( -1.099 -1.839 -6.295) 6.650 92.225 ( 0.225 0.433 -0.017) 0.488 93.843 ( 0.431 1.652 5.002) 5.285 93.896 ( 0.086 -0.866 4.614) 4.695 95.700 ( 0.113 0.921 -7.737) 7.793 95.797 ( -1.125 -2.533 -7.280) 7.789 98.487 ( -0.929 -1.677 20.658) 20.747 ======================= Grid point 510 (154/188) ======================= q-point: (-0.30 0.60 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -1.852 -0.174 17.644) 17.742 2.364 ( 2.223 -0.787 16.388) 16.557 2.806 ( 0.347 -0.341 11.317) 11.328 4.028 ( -0.081 1.854 -10.239) 10.406 4.103 ( 0.881 -4.113 -6.404) 7.662 4.419 ( 2.759 -3.450 12.104) 12.885 5.141 ( -3.959 5.086 -5.060) 8.194 5.262 ( 3.254 -4.792 -7.921) 9.813 5.786 ( 2.115 -3.413 -8.580) 9.473 6.841 ( -4.285 3.926 -5.255) 7.835 6.885 ( 1.173 3.334 -5.469) 6.511 6.989 ( 0.841 -3.450 7.351) 8.164 8.202 ( -0.024 0.388 -0.074) 0.395 8.405 ( -2.110 2.376 1.659) 3.585 8.459 ( 1.489 -1.257 2.199) 2.938 10.248 ( -3.413 3.908 -1.140) 5.312 10.370 ( 2.941 -3.575 1.648) 4.915 10.521 ( 0.439 0.021 -8.923) 8.934 10.635 ( -0.067 -0.279 -2.611) 2.627 11.446 ( -0.726 3.546 3.721) 5.191 11.522 ( 0.186 -2.628 3.094) 4.064 15.198 ( 0.916 -1.660 5.572) 5.886 15.483 ( -1.006 2.416 0.998) 2.802 15.546 ( 1.337 -2.804 1.110) 3.299 15.973 ( -0.409 1.936 -4.892) 5.277 16.014 ( 0.483 -2.144 -5.908) 6.304 16.126 ( -0.082 0.131 1.192) 1.202 23.303 ( 1.463 -2.480 -0.257) 2.891 24.711 ( -7.266 11.762 -1.245) 13.881 25.046 ( 7.365 -12.016 -2.748) 14.359 25.593 ( 0.029 0.059 3.619) 3.620 26.070 ( -1.538 4.255 0.903) 4.613 26.149 ( -0.114 -1.568 0.341) 1.609 34.972 ( -2.929 5.662 -4.228) 7.649 35.109 ( 1.771 -3.655 -3.720) 5.508 36.531 ( -0.707 2.342 4.003) 4.692 36.561 ( -0.212 -0.585 4.111) 4.158 36.717 ( 1.293 -2.374 4.749) 5.465 37.787 ( 0.874 -1.496 -6.179) 6.417 92.229 ( -0.117 0.215 -0.098) 0.264 93.863 ( -0.334 1.245 4.865) 5.033 93.884 ( -0.118 -0.492 4.717) 4.744 95.714 ( -0.792 1.706 -7.262) 7.501 95.766 ( 1.124 -2.242 -7.227) 7.650 98.472 ( 1.479 -2.581 20.465) 20.680 ======================= Grid point 545 (155/188) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 0.000 -0.000 8.948) 8.948 2.261 ( 0.000 0.000 8.948) 8.948 3.061 ( 0.000 0.000 7.054) 7.054 4.703 ( 0.000 -0.000 3.648) 3.648 5.175 ( -0.000 0.000 -7.057) 7.057 5.175 ( 0.000 0.000 -7.057) 7.057 5.190 ( 0.000 -0.000 -0.727) 0.727 5.605 ( 0.000 0.000 -3.467) 3.467 5.605 ( 0.000 0.000 -3.467) 3.467 6.196 ( 0.000 -0.000 1.918) 1.918 6.196 ( 0.000 0.000 1.918) 1.918 8.033 ( -0.000 0.000 15.633) 15.633 8.076 ( 0.000 0.000 -0.997) 0.997 8.076 ( 0.000 0.000 -0.997) 0.997 8.431 ( 0.000 0.000 2.247) 2.247 10.129 ( 0.000 0.000 -19.847) 19.847 10.243 ( 0.000 0.000 0.095) 0.095 10.243 ( 0.000 0.000 0.095) 0.095 10.726 ( 0.000 0.000 0.798) 0.798 11.276 ( 0.000 0.000 2.247) 2.247 11.276 ( 0.000 0.000 2.247) 2.247 15.439 ( 0.000 0.000 1.274) 1.274 15.439 ( -0.000 0.000 1.274) 1.274 15.731 ( 0.000 0.000 -1.417) 1.417 15.731 ( 0.000 0.000 -1.417) 1.417 16.121 ( 0.000 -0.000 0.244) 0.244 16.652 ( -0.000 0.000 0.236) 0.236 24.310 ( 0.000 0.000 1.348) 1.348 24.310 ( 0.000 0.000 1.348) 1.348 25.513 ( 0.000 0.000 -1.050) 1.050 25.513 ( 0.000 -0.000 -1.050) 1.050 25.624 ( 0.000 0.000 -0.598) 0.598 25.676 ( -0.000 0.000 0.091) 0.091 34.636 ( 0.000 -0.000 -1.727) 1.727 34.636 ( 0.000 -0.000 -1.727) 1.727 36.454 ( 0.000 0.000 1.135) 1.135 36.454 ( 0.000 -0.000 1.135) 1.135 37.335 ( -0.000 -0.000 3.279) 3.279 38.174 ( 0.000 0.000 -3.648) 3.648 92.212 ( 0.000 0.000 -0.042) 0.042 93.787 ( 0.000 0.000 1.882) 1.882 93.787 ( 0.000 0.000 1.882) 1.882 95.573 ( 0.000 0.000 -3.363) 3.363 95.573 ( 0.000 0.000 -3.363) 3.363 99.990 ( 0.000 -0.000 -0.010) 0.010 ======================= Grid point 546 (156/188) ======================= q-point: ( 0.10 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 2.330 3.793 10.318) 11.238 2.354 ( 8.119 2.179 8.071) 11.654 3.048 ( -1.003 -0.453 6.395) 6.489 4.628 ( -12.580 -7.410 2.240) 14.771 4.749 ( -10.743 -6.740 -4.574) 13.482 5.143 ( -8.181 2.471 -10.486) 13.528 5.414 ( 2.345 -4.924 -0.808) 5.513 5.567 ( 1.020 -0.503 2.255) 2.525 5.781 ( 13.361 9.747 -6.238) 17.676 6.145 ( -3.088 -3.865 1.622) 5.206 6.214 ( 0.297 1.746 0.339) 1.803 7.836 ( -9.252 -7.331 7.780) 14.138 8.120 ( 2.203 1.336 -2.222) 3.403 8.201 ( 4.378 4.559 8.564) 10.644 8.438 ( 0.871 -0.093 1.668) 1.884 10.111 ( -1.413 -0.696 -17.692) 17.762 10.237 ( -0.792 -1.581 -1.660) 2.426 10.278 ( 3.330 2.953 1.410) 4.669 10.734 ( 0.569 0.445 0.756) 1.045 11.268 ( 0.188 -0.675 3.321) 3.394 11.333 ( 3.784 2.794 0.415) 4.722 15.438 ( -0.343 0.905 1.618) 1.885 15.460 ( 2.123 0.073 0.928) 2.318 15.700 ( -3.292 0.118 -0.862) 3.405 15.735 ( 0.956 -1.248 -1.931) 2.490 16.119 ( -0.082 -0.101 0.263) 0.293 16.590 ( -5.276 -3.023 0.074) 6.081 24.201 ( -8.251 -5.647 1.248) 10.076 24.298 ( -1.529 0.007 1.050) 1.855 25.519 ( 2.254 -2.313 0.885) 3.349 25.536 ( 0.029 1.170 -1.114) 1.616 25.682 ( 1.222 2.687 -2.359) 3.779 25.708 ( 6.072 3.819 0.507) 7.191 34.634 ( 0.124 -0.139 -1.446) 1.458 34.684 ( 3.909 2.473 -1.987) 5.034 36.458 ( 0.411 0.351 1.356) 1.460 36.472 ( 1.453 0.724 0.964) 1.888 37.299 ( -3.098 -1.821 3.187) 4.803 38.136 ( -3.242 -1.804 -3.549) 5.134 92.210 ( -0.121 -0.102 0.005) 0.158 93.791 ( 0.900 0.028 2.509) 2.665 93.812 ( 1.632 1.433 1.324) 2.544 95.566 ( -0.474 0.259 -2.716) 2.770 95.595 ( 1.738 0.573 -4.146) 4.532 99.870 ( -10.083 -5.877 0.995) 11.713 ======================= Grid point 547 (157/188) ======================= q-point: ( 0.20 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 4.865 5.716 10.224) 12.684 2.553 ( 10.848 3.411 10.236) 15.300 3.027 ( -0.847 -0.029 3.948) 4.038 4.190 ( -20.038 -11.657 -5.637) 23.857 4.648 ( -3.837 -0.595 0.180) 3.887 4.972 ( -11.172 -0.998 -9.915) 14.970 5.314 ( -5.430 -5.267 0.982) 7.628 5.585 ( 0.538 -1.434 -1.025) 1.843 6.025 ( -5.512 -2.576 0.409) 6.098 6.139 ( 15.207 7.805 -2.515) 17.277 6.240 ( 1.839 0.149 -1.701) 2.509 7.598 ( -9.650 -7.960 6.216) 13.969 8.159 ( 1.777 -0.937 1.202) 2.341 8.306 ( 2.094 6.107 7.086) 9.586 8.456 ( 1.743 -0.931 1.188) 2.306 10.082 ( -0.620 -1.377 -13.675) 13.758 10.195 ( -2.578 -0.203 -3.396) 4.269 10.401 ( 6.791 3.457 2.697) 8.084 10.748 ( 0.286 0.645 0.578) 0.912 11.268 ( 0.488 -0.518 3.695) 3.763 11.441 ( 4.786 3.212 -1.355) 5.921 15.445 ( -0.205 1.265 1.188) 1.747 15.508 ( 2.838 -0.050 1.136) 3.057 15.630 ( -4.354 0.334 -0.204) 4.372 15.742 ( 1.209 -1.252 -2.027) 2.672 16.117 ( -0.021 -0.234 0.298) 0.379 16.427 ( -8.696 -4.889 -0.627) 9.996 23.963 ( -11.366 -6.733 0.723) 13.230 24.265 ( -1.545 -1.152 0.848) 2.105 25.511 ( 1.719 -4.992 1.771) 5.568 25.572 ( 1.636 2.555 -0.190) 3.040 25.707 ( -0.615 3.170 -0.603) 3.285 25.912 ( 9.293 6.037 -2.085) 11.276 34.638 ( 0.264 0.151 -1.332) 1.366 34.813 ( 7.174 4.183 -1.990) 8.540 36.473 ( 0.706 0.655 1.518) 1.798 36.514 ( 2.296 1.073 0.985) 2.719 37.198 ( -5.576 -3.341 2.886) 7.112 38.037 ( -5.373 -2.854 -3.308) 6.925 92.207 ( -0.052 -0.143 0.118) 0.193 93.815 ( 1.564 0.383 2.937) 3.350 93.866 ( 2.520 1.971 1.090) 3.380 95.562 ( -0.428 0.442 -2.491) 2.566 95.639 ( 2.310 1.029 -4.696) 5.334 99.564 ( -15.696 -9.278 3.297) 18.529 ======================= Grid point 548 (158/188) ======================= q-point: ( 0.30 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 5.667 6.430 9.401) 12.721 2.748 ( 7.367 2.737 15.360) 17.253 3.031 ( 0.794 1.069 0.583) 1.454 3.773 ( -15.794 -9.525 -10.683) 21.315 4.581 ( -3.621 0.333 -0.126) 3.638 4.789 ( -9.325 1.052 -8.136) 12.420 5.164 ( -4.929 -5.925 1.166) 7.795 5.495 ( -8.415 -4.248 -2.662) 9.795 5.956 ( -0.387 0.265 -1.312) 1.394 6.252 ( 2.182 -2.293 -0.648) 3.231 6.457 ( 12.017 5.905 -2.287) 13.583 7.364 ( -8.437 -7.115 4.834) 12.049 8.163 ( 0.282 -1.401 3.974) 4.223 8.394 ( 1.454 5.241 4.150) 6.842 8.476 ( 2.049 -1.479 2.354) 3.454 10.053 ( -0.492 -3.243 -9.257) 9.821 10.166 ( -1.706 2.618 -5.231) 6.093 10.556 ( 7.361 2.339 3.599) 8.521 10.755 ( -0.388 1.014 0.319) 1.132 11.271 ( 0.200 -0.202 3.292) 3.304 11.544 ( 3.760 2.476 -2.101) 4.968 15.442 ( -2.604 0.931 -0.311) 2.783 15.518 ( 0.558 -1.321 1.144) 1.834 15.620 ( 1.255 3.106 2.615) 4.250 15.751 ( 1.363 -1.255 -2.482) 3.098 16.113 ( 0.078 -0.768 0.442) 0.890 16.218 ( -9.521 -4.866 -2.145) 10.906 23.711 ( -10.216 -5.714 0.278) 11.709 24.228 ( -0.906 -1.917 0.763) 2.253 25.494 ( 1.867 -4.571 2.263) 5.431 25.626 ( 2.705 0.522 0.457) 2.793 25.727 ( -1.916 5.423 -0.644) 5.788 26.105 ( 6.923 4.150 -2.386) 8.417 34.646 ( 0.292 0.444 -1.412) 1.509 34.998 ( 8.754 4.905 -1.734) 10.183 36.492 ( 0.538 0.791 1.591) 1.857 36.564 ( 2.260 0.805 1.219) 2.691 37.055 ( -6.491 -3.983 2.438) 7.997 37.912 ( -5.583 -2.752 -3.088) 6.948 92.207 ( 0.129 -0.138 0.224) 0.293 93.848 ( 1.640 0.608 3.108) 3.567 93.928 ( 2.432 1.736 1.247) 3.237 95.560 ( -0.298 0.512 -2.757) 2.820 95.688 ( 1.952 1.206 -4.843) 5.359 99.200 ( -14.965 -9.087 5.583) 18.377 ======================= Grid point 549 (159/188) ======================= q-point: ( 0.40 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 4.189 5.653 7.920) 10.593 2.851 ( 1.751 3.246 18.785) 19.144 3.047 ( -1.086 0.409 4.298) 4.452 3.497 ( -6.215 -6.642 -19.994) 21.966 4.536 ( -2.812 1.636 -0.839) 3.360 4.694 ( -4.326 3.331 -5.727) 7.912 5.055 ( -1.236 -4.144 -0.188) 4.328 5.265 ( -11.495 -4.353 -1.370) 12.368 5.984 ( 1.170 1.992 -3.145) 3.902 6.261 ( 2.488 -3.869 -1.487) 4.834 6.662 ( 6.901 2.455 -0.945) 7.386 7.188 ( -4.675 -5.157 4.585) 8.335 8.154 ( 0.015 -0.425 3.470) 3.496 8.445 ( 0.372 1.567 3.115) 3.507 8.504 ( 2.078 0.079 3.325) 3.922 10.006 ( -1.159 -2.664 -6.303) 6.940 10.179 ( -0.112 1.981 -5.445) 5.795 10.678 ( 5.101 0.055 3.280) 6.064 10.760 ( -0.456 1.844 0.287) 1.921 11.272 ( -0.199 0.412 2.288) 2.334 11.610 ( 1.714 1.234 -1.776) 2.760 15.381 ( -3.591 0.063 -0.155) 3.595 15.553 ( 2.740 0.964 0.808) 3.015 15.675 ( 0.888 3.091 4.941) 5.896 15.767 ( 2.051 -1.017 -3.249) 3.975 16.015 ( -6.910 -5.496 -3.164) 9.379 16.114 ( -0.692 0.504 -0.402) 0.946 23.523 ( -5.979 -3.450 0.046) 6.903 24.199 ( -0.246 -1.792 0.884) 2.014 25.486 ( 2.293 -4.200 2.527) 5.412 25.669 ( 3.118 -2.244 1.047) 3.982 25.747 ( -3.319 7.552 -1.568) 8.397 26.220 ( 3.073 1.778 -1.887) 4.020 34.655 ( 0.199 0.475 -1.627) 1.707 35.181 ( 6.654 3.762 -1.404) 7.772 36.504 ( 0.032 0.564 1.501) 1.604 36.599 ( 1.150 0.006 1.552) 1.931 36.922 ( -4.404 -2.856 2.126) 5.663 37.808 ( -3.680 -1.467 -3.027) 4.985 92.208 ( 0.222 -0.165 0.268) 0.385 93.879 ( 1.140 0.510 2.988) 3.238 93.975 ( 1.357 0.926 1.756) 2.405 95.562 ( -0.120 0.575 -3.416) 3.466 95.724 ( 0.869 0.956 -4.600) 4.778 98.916 ( -8.804 -5.751 7.069) 12.671 ======================= Grid point 550 (160/188) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( -1.312 0.764 7.592) 7.743 2.882 ( -2.955 5.019 22.105) 22.860 3.019 ( -0.434 0.399 4.645) 4.682 3.434 ( 3.237 -2.280 -25.510) 25.815 4.512 ( -2.542 2.678 -0.246) 3.701 4.683 ( 0.020 -0.244 -4.703) 4.709 5.030 ( -4.027 3.066 -0.481) 5.084 5.116 ( 1.800 -0.317 -0.266) 1.847 6.012 ( -0.140 1.340 -4.309) 4.515 6.261 ( 2.143 -3.938 -1.606) 4.762 6.734 ( 0.820 -1.446 -0.876) 1.879 7.115 ( 0.969 -2.680 5.468) 6.166 8.161 ( 0.627 0.862 1.660) 1.973 8.447 ( -0.383 -0.690 4.600) 4.668 8.535 ( 0.889 0.394 1.844) 2.085 9.972 ( -0.525 -0.844 -4.373) 4.484 10.185 ( -0.094 -0.731 -4.729) 4.786 10.725 ( 0.625 0.558 0.985) 1.293 10.773 ( 0.061 0.146 1.100) 1.112 11.276 ( 0.087 0.888 1.165) 1.468 11.625 ( -0.641 -0.197 -0.687) 0.960 15.345 ( -0.990 0.851 0.645) 1.456 15.591 ( -0.351 0.811 0.008) 0.884 15.706 ( -0.297 2.165 5.008) 5.464 15.812 ( 3.525 -0.022 -2.226) 4.169 15.883 ( -2.218 -3.072 -4.743) 6.070 16.111 ( -0.254 0.340 -0.150) 0.450 23.453 ( 0.137 -0.402 0.069) 0.430 24.186 ( 0.276 -0.820 1.169) 1.454 25.488 ( 2.634 -4.025 2.236) 5.304 25.687 ( 2.928 -4.434 1.622) 5.555 25.759 ( -4.483 8.229 -2.938) 9.820 26.247 ( -0.783 -0.090 -0.765) 1.098 34.660 ( 0.046 0.195 -1.887) 1.898 35.262 ( -0.196 0.180 -1.179) 1.208 36.508 ( 0.299 0.053 1.084) 1.126 36.606 ( -0.023 -0.065 1.753) 1.755 36.866 ( -0.029 -0.473 2.356) 2.403 37.768 ( -0.272 0.583 -3.096) 3.162 92.210 ( 0.158 -0.233 0.251) 0.377 93.894 ( 0.236 0.034 2.650) 2.660 93.989 ( -0.287 -0.065 2.341) 2.360 95.567 ( 0.013 0.697 -4.155) 4.213 95.734 ( -0.478 0.266 -4.134) 4.170 98.809 ( 0.299 -0.587 7.604) 7.632 ======================= Grid point 552 (161/188) ======================= q-point: (-0.40 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -6.146 -1.918 10.846) 12.613 2.850 ( -4.055 0.606 18.342) 18.795 3.030 ( -0.568 0.571 1.961) 2.120 3.555 ( 9.633 4.930 -22.382) 24.861 4.508 ( -0.437 2.083 1.765) 2.765 4.676 ( 1.698 -2.081 -5.024) 5.697 5.045 ( -0.306 9.549 1.326) 9.645 5.265 ( 10.271 4.103 -1.218) 11.127 6.005 ( -0.952 -0.544 -4.631) 4.759 6.257 ( 1.163 -2.647 -1.284) 3.163 6.657 ( -5.672 -5.639 -0.683) 8.027 7.175 ( 7.149 0.569 5.497) 9.036 8.183 ( 0.140 1.483 0.657) 1.628 8.427 ( -0.447 -1.390 6.033) 6.207 8.535 ( -0.928 -0.486 -0.066) 1.050 9.975 ( 0.669 1.178 -2.933) 3.231 10.163 ( -0.163 -2.923 -4.720) 5.554 10.719 ( -3.719 1.183 -1.031) 4.037 10.753 ( -0.222 -1.593 1.202) 2.008 11.291 ( 0.710 0.481 0.452) 0.970 11.587 ( -2.765 -1.410 0.596) 3.161 15.364 ( 1.711 1.490 1.334) 2.632 15.564 ( -3.042 1.336 -0.556) 3.369 15.691 ( -2.547 -0.553 3.753) 4.570 15.796 ( -0.183 -3.305 -5.506) 6.424 15.979 ( 8.602 4.221 -0.219) 9.584 16.112 ( -0.107 0.644 -0.124) 0.664 23.521 ( 6.316 2.708 0.248) 6.876 24.193 ( 0.733 0.475 1.444) 1.688 25.496 ( 2.952 -4.090 1.472) 5.254 25.682 ( 2.036 -5.289 1.608) 5.891 25.754 ( -5.237 7.433 -3.650) 9.798 26.195 ( -4.391 -1.579 0.441) 4.687 34.660 ( -0.093 -0.180 -2.115) 2.124 35.178 ( -6.999 -3.481 -1.117) 7.896 36.512 ( 0.195 -0.503 0.678) 0.866 36.596 ( -1.202 -0.193 1.771) 2.149 36.914 ( 4.647 2.184 2.798) 5.847 37.810 ( 3.154 2.496 -3.176) 5.125 92.209 ( 0.053 -0.263 0.200) 0.335 93.887 ( -0.681 -0.660 2.305) 2.492 93.965 ( -1.873 -0.817 2.623) 3.325 95.575 ( -0.035 0.814 -4.618) 4.690 95.714 ( -1.585 -0.659 -3.638) 4.022 98.915 ( 9.348 4.734 7.177) 12.701 ======================= Grid point 553 (162/188) ======================= q-point: (-0.30 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -7.478 -2.234 10.875) 13.386 2.742 ( -6.606 -4.699 15.361) 17.369 3.013 ( -0.838 0.240 0.775) 1.166 3.849 ( 15.272 10.461 -16.551) 24.831 4.544 ( 2.059 2.277 3.188) 4.426 4.737 ( 5.894 1.716 -3.996) 7.325 5.175 ( 3.372 9.934 0.321) 10.496 5.489 ( 9.676 4.162 -1.634) 10.660 5.985 ( 0.526 -1.279 -3.472) 3.737 6.248 ( 0.044 -1.261 -0.849) 1.521 6.440 ( -11.146 -8.654 -0.653) 14.126 7.356 ( 11.318 3.134 5.027) 12.775 8.177 ( -2.250 0.414 1.968) 3.018 8.414 ( -0.006 -0.467 6.783) 6.799 8.493 ( -2.571 -1.815 -2.031) 3.746 10.015 ( 1.436 2.906 -3.579) 4.829 10.135 ( 1.039 -3.380 -4.952) 6.085 10.612 ( -7.243 -2.124 -2.001) 7.808 10.750 ( -0.124 0.200 0.930) 0.960 11.304 ( 0.671 -0.481 0.234) 0.858 11.508 ( -4.347 -2.062 1.503) 5.040 15.415 ( 2.053 0.799 1.988) 2.968 15.540 ( -1.762 2.465 -0.974) 3.183 15.628 ( -2.662 -1.381 1.935) 3.569 15.770 ( 0.133 -2.161 -3.998) 4.547 16.111 ( 0.818 -0.513 0.672) 1.176 16.199 ( 9.465 6.367 -0.476) 11.418 23.709 ( 10.709 5.030 0.440) 11.839 24.219 ( 1.143 1.470 1.562) 2.431 25.508 ( 3.370 -4.293 0.568) 5.487 25.653 ( 0.061 -4.201 0.535) 4.235 25.729 ( -4.994 5.367 -2.728) 7.822 26.068 ( -7.635 -3.045 0.971) 8.277 34.654 ( -0.177 -0.405 -2.245) 2.288 34.992 ( -9.037 -4.694 -1.164) 10.250 36.502 ( -0.642 -0.686 0.646) 1.140 36.559 ( -2.266 -1.064 1.719) 3.036 37.049 ( 6.885 3.673 2.971) 8.350 37.914 ( 5.143 3.452 -3.257) 6.998 92.208 ( 0.048 -0.186 0.141) 0.238 93.860 ( -1.195 -1.285 2.172) 2.793 93.914 ( -2.848 -1.054 2.408) 3.875 95.581 ( -0.300 0.845 -4.607) 4.693 95.671 ( -2.047 -1.442 -3.278) 4.124 99.199 ( 15.367 8.428 5.707) 18.432 ======================= Grid point 554 (163/188) ======================= q-point: (-0.20 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -7.159 -1.402 10.606) 12.872 2.546 ( -8.313 -7.543 10.405) 15.306 3.021 ( 0.834 0.957 4.314) 4.497 4.260 ( 19.259 12.112 -11.969) 25.707 4.612 ( 2.661 2.685 3.685) 5.279 4.896 ( 8.157 4.636 -3.419) 9.986 5.335 ( 4.119 8.762 -0.884) 9.723 5.625 ( 4.665 -2.402 -4.056) 6.632 6.016 ( -0.042 1.195 1.615) 2.009 6.130 ( -10.946 -9.451 -3.218) 14.815 6.233 ( -1.087 -0.121 -0.143) 1.103 7.601 ( 12.566 4.156 5.463) 14.318 8.124 ( -3.264 -0.657 3.464) 4.804 8.380 ( -5.514 -0.220 6.270) 8.353 8.441 ( 0.433 -2.340 -1.743) 2.949 10.070 ( 1.279 2.851 -10.476) 10.932 10.145 ( 3.166 -1.542 -1.424) 3.798 10.453 ( -7.646 -3.081 -2.121) 8.512 10.745 ( -0.539 0.032 0.868) 1.022 11.303 ( 0.235 -1.305 0.554) 1.437 11.405 ( -5.048 -1.946 1.985) 5.763 15.435 ( 0.021 0.399 1.891) 1.933 15.514 ( -2.284 -1.625 0.629) 2.873 15.629 ( 1.700 3.241 -0.253) 3.669 15.754 ( 0.101 -1.699 -2.919) 3.379 16.116 ( 0.262 -0.078 0.376) 0.465 16.421 ( 8.966 5.322 -0.024) 10.426 23.963 ( 12.064 5.834 0.647) 13.416 24.257 ( 1.309 1.842 1.519) 2.723 25.525 ( 3.571 -4.548 -0.179) 5.785 25.602 ( -2.601 -1.361 -0.954) 3.087 25.693 ( -3.573 2.414 -0.593) 4.353 25.885 ( -9.210 -3.885 0.360) 10.002 34.647 ( -0.184 -0.432 -2.216) 2.266 34.805 ( -7.366 -3.866 -1.257) 8.413 36.481 ( -0.949 -0.523 0.757) 1.322 36.508 ( -2.144 -1.283 1.589) 2.961 37.196 ( 5.819 3.228 3.090) 7.336 38.038 ( 5.106 3.198 -3.393) 6.915 92.208 ( 0.129 -0.039 0.072) 0.153 93.825 ( -1.129 -1.583 2.306) 3.016 93.854 ( -2.892 -0.742 1.846) 3.510 95.581 ( -0.668 0.860 -4.093) 4.235 95.622 ( -1.622 -1.799 -3.247) 4.050 99.564 ( 15.916 8.974 3.361) 18.578 ======================= Grid point 555 (164/188) ======================= q-point: (-0.10 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -4.633 -0.035 10.391) 11.377 2.351 ( -5.642 -5.961 8.093) 11.526 3.048 ( 0.993 0.699 6.449) 6.563 4.675 ( 2.078 1.630 3.997) 4.791 4.726 ( 21.284 11.140 -8.243) 25.398 5.072 ( 4.732 7.144 -4.204) 9.545 5.461 ( 2.104 1.483 -4.801) 5.447 5.612 ( -0.469 -8.828 -0.654) 8.865 5.733 ( -15.618 -3.167 -3.430) 16.301 6.147 ( 4.780 0.214 1.381) 4.980 6.212 ( -1.720 0.966 0.502) 2.036 7.848 ( 11.122 4.050 7.105) 13.805 8.074 ( -1.783 0.250 2.285) 2.909 8.244 ( -7.779 -3.277 4.370) 9.504 8.435 ( 0.051 -0.589 1.597) 1.703 10.111 ( 1.245 1.144 -17.838) 17.918 10.200 ( 3.041 0.685 1.363) 3.402 10.312 ( -5.230 -2.337 -1.389) 5.894 10.734 ( -0.596 -0.232 0.818) 1.038 11.289 ( 0.158 -2.033 1.591) 2.587 11.312 ( -3.968 -0.347 2.154) 4.529 15.436 ( -0.354 0.666 1.730) 1.887 15.462 ( -1.351 -1.696 0.827) 2.321 15.696 ( 1.842 2.684 -0.678) 3.325 15.741 ( 0.132 -1.330 -2.232) 2.602 16.119 ( 0.148 0.032 0.276) 0.314 16.589 ( 5.364 3.121 0.156) 6.208 24.203 ( 9.156 4.113 1.030) 10.090 24.294 ( 0.785 1.664 1.400) 2.312 25.531 ( 1.677 -4.054 -0.786) 4.457 25.544 ( -3.252 0.087 -0.899) 3.376 25.653 ( -2.894 0.489 0.064) 2.936 25.718 ( -5.056 -2.220 -0.532) 5.548 34.640 ( -0.110 -0.402 -2.014) 2.057 34.678 ( -3.962 -1.942 -1.447) 4.643 36.463 ( -0.759 -0.191 0.956) 1.236 36.468 ( -1.133 -0.904 1.343) 1.976 37.299 ( 3.169 1.797 3.216) 4.859 38.136 ( 3.162 1.894 -3.563) 5.126 92.211 ( 0.138 0.048 -0.003) 0.147 93.795 ( -0.612 -1.175 2.392) 2.735 93.807 ( -1.891 -0.271 1.462) 2.406 95.575 ( -0.912 0.794 -3.148) 3.372 95.587 ( -0.475 -1.492 -3.741) 4.055 99.870 ( 10.146 5.802 1.005) 11.731 ======================= Grid point 557 (165/188) ======================= q-point: ( 0.10 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 3.364 6.553 5.322) 9.087 2.445 ( 5.456 8.332 14.361) 17.477 3.033 ( -0.313 -0.881 4.702) 4.794 4.360 ( -14.194 -17.212 -6.887) 23.348 4.630 ( -0.823 -6.011 -0.664) 6.103 5.061 ( 2.839 -9.040 -9.457) 13.387 5.317 ( -9.304 -3.330 -2.256) 10.137 5.613 ( -0.436 0.027 2.771) 2.806 6.002 ( 8.133 12.474 -3.195) 15.230 6.097 ( 1.012 -0.586 1.219) 1.689 6.208 ( -1.510 -1.428 -0.651) 2.178 7.639 ( -6.920 -11.865 8.145) 15.969 8.134 ( 2.307 1.960 3.109) 4.339 8.344 ( 1.233 7.210 2.389) 7.694 8.428 ( 0.241 -1.035 2.356) 2.585 10.087 ( -1.458 -1.257 -14.007) 14.138 10.181 ( 2.339 -3.383 -0.678) 4.168 10.384 ( 0.627 6.777 -0.537) 6.827 10.748 ( 0.608 0.812 0.401) 1.091 11.276 ( -0.686 1.223 3.427) 3.703 11.400 ( 3.708 3.894 -0.294) 5.385 15.450 ( 0.722 -0.231 0.214) 0.787 15.486 ( 0.817 2.838 2.406) 3.809 15.676 ( -1.031 -2.809 -3.639) 4.711 15.721 ( -0.691 0.347 0.271) 0.820 16.115 ( -0.153 -0.326 0.452) 0.578 16.477 ( -4.455 -8.076 -0.210) 9.225 24.016 ( -6.716 -12.153 1.409) 13.956 24.292 ( -0.378 -0.407 0.727) 0.915 25.441 ( -2.820 -4.178 2.190) 5.496 25.588 ( 0.403 2.024 0.746) 2.194 25.785 ( 2.983 7.012 0.230) 7.624 25.808 ( 5.881 6.361 -4.358) 9.698 34.644 ( 0.195 0.955 -1.533) 1.817 34.764 ( 3.640 5.798 -1.909) 7.107 36.474 ( 0.316 1.100 1.065) 1.563 36.496 ( 1.299 1.788 1.329) 2.578 37.229 ( -2.938 -5.232 3.135) 6.771 38.070 ( -2.763 -4.718 -3.578) 6.534 92.207 ( -0.116 -0.170 0.149) 0.254 93.806 ( 0.480 1.356 3.006) 3.332 93.850 ( 1.741 2.407 1.015) 3.139 95.581 ( -0.795 0.976 -3.775) 3.980 95.612 ( 1.998 1.210 -3.648) 4.332 99.656 ( -8.649 -15.023 2.803) 17.560 ======================= Grid point 558 (166/188) ======================= q-point: ( 0.20 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 3.995 8.426 6.101) 11.144 2.645 ( 8.303 5.963 15.671) 18.710 3.030 ( 0.372 0.389 1.314) 1.420 3.953 ( -16.020 -11.685 -9.828) 22.130 4.543 ( -0.248 -9.081 -4.153) 9.989 4.986 ( -5.564 -0.024 -9.834) 11.299 5.144 ( -4.724 -7.085 -1.030) 8.577 5.549 ( -3.854 -5.073 -0.500) 6.390 6.038 ( -6.506 3.579 0.201) 7.428 6.184 ( 3.864 -3.705 0.985) 5.443 6.320 ( 10.886 8.811 -0.548) 14.016 7.403 ( -6.958 -11.257 8.204) 15.570 8.175 ( -0.307 2.873 3.842) 4.807 8.420 ( 1.913 0.618 0.103) 2.013 8.430 ( 0.615 2.230 5.001) 5.510 10.048 ( -1.476 -1.177 -8.298) 8.510 10.199 ( 1.401 -0.141 -5.532) 5.709 10.465 ( 3.266 2.800 2.383) 4.918 10.766 ( 0.360 0.991 -0.298) 1.095 11.289 ( -0.154 2.579 3.671) 4.489 11.502 ( 3.988 2.869 -1.639) 5.179 15.465 ( 1.449 -0.000 -0.361) 1.493 15.516 ( -1.527 1.449 1.238) 2.442 15.633 ( -0.363 -0.016 -2.398) 2.425 15.724 ( 0.627 -0.310 0.635) 0.945 16.105 ( -0.396 -1.258 0.732) 1.508 16.299 ( -6.638 -7.335 -1.357) 9.986 23.770 ( -7.468 -11.878 1.082) 14.072 24.276 ( -2.437 2.351 0.977) 3.524 25.366 ( 1.226 -8.057 4.259) 9.195 25.610 ( 0.671 0.930 0.948) 1.488 25.863 ( -2.366 10.361 -1.444) 10.725 26.007 ( 8.996 3.651 -3.890) 10.459 34.664 ( 0.048 2.515 -1.407) 2.882 34.909 ( 6.619 5.450 -1.990) 8.802 36.495 ( 0.578 1.384 1.278) 1.971 36.540 ( 1.726 1.571 1.371) 2.707 37.103 ( -4.911 -6.132 2.930) 8.384 37.961 ( -4.240 -4.608 -3.636) 7.241 92.205 ( -0.026 -0.122 0.385) 0.405 93.835 ( 1.147 1.552 3.382) 3.894 93.908 ( 2.117 2.187 0.922) 3.181 95.578 ( -0.725 1.122 -3.776) 4.005 95.662 ( 2.310 1.189 -4.490) 5.188 99.321 ( -12.203 -14.484 5.292) 19.665 ======================= Grid point 559 (167/188) ======================= q-point: ( 0.30 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 3.938 7.621 5.580) 10.233 2.820 ( 5.815 4.808 16.982) 18.583 3.051 ( 0.940 0.829 0.191) 1.268 3.609 ( -13.131 -6.404 -14.768) 20.774 4.456 ( 1.866 -10.865 -6.553) 12.825 4.906 ( -8.021 8.138 -7.808) 13.839 5.014 ( -1.575 -7.804 -1.927) 8.191 5.395 ( -7.605 -5.050 -2.647) 9.505 5.958 ( -1.687 -3.539 -2.225) 4.508 6.236 ( 1.622 3.235 3.698) 5.174 6.557 ( 8.732 4.070 0.974) 9.683 7.194 ( -4.898 -9.723 8.090) 13.564 8.185 ( -1.802 3.263 3.667) 5.229 8.434 ( 1.869 -2.037 3.783) 4.685 8.481 ( 1.080 2.750 2.386) 3.798 10.015 ( -1.501 -0.212 -5.653) 5.853 10.216 ( -0.844 2.039 -6.020) 6.412 10.546 ( 6.356 -3.095 3.935) 8.091 10.778 ( -0.157 1.007 -0.958) 1.399 11.316 ( -0.928 4.595 2.563) 5.343 11.583 ( 2.874 1.420 -1.898) 3.726 15.455 ( -4.554 -0.339 -1.699) 4.872 15.504 ( 2.882 0.583 -0.882) 3.070 15.676 ( 2.522 2.404 2.342) 4.198 15.732 ( 0.784 -0.541 -0.194) 0.972 16.040 ( -3.882 -6.827 -0.452) 7.866 16.161 ( -3.395 -0.278 -1.697) 3.806 23.550 ( -5.238 -9.784 0.817) 11.128 24.260 ( -3.602 5.091 1.571) 6.432 25.324 ( 4.479 -10.628 5.234) 12.665 25.629 ( 0.895 0.026 1.222) 1.515 25.912 ( -3.698 10.095 -2.642) 11.071 26.162 ( 5.761 1.804 -3.219) 6.841 34.690 ( -1.018 4.036 -1.623) 4.468 35.083 ( 7.980 3.343 -1.817) 8.840 36.517 ( 0.085 1.641 1.457) 2.196 36.579 ( 1.341 0.693 1.566) 2.175 36.958 ( -4.654 -5.663 2.705) 7.813 37.849 ( -3.776 -3.347 -3.788) 6.309 92.204 ( 0.106 -0.090 0.590) 0.606 93.870 ( 1.050 1.558 3.336) 3.829 93.959 ( 1.693 1.271 1.336) 2.504 95.578 ( -0.630 1.314 -4.152) 4.400 95.707 ( 1.819 0.575 -5.027) 5.377 98.999 ( -9.899 -10.594 7.370) 16.265 ======================= Grid point 560 (168/188) ======================= q-point: ( 0.40 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 0.311 4.002 5.208) 6.575 2.945 ( 2.825 5.456 15.946) 17.089 3.047 ( -2.319 -0.373 5.481) 5.963 3.418 ( -4.071 -0.255 -22.828) 23.190 4.396 ( 4.253 -12.204 -7.643) 15.014 4.842 ( -8.048 5.490 -3.385) 10.313 4.986 ( 3.817 0.086 -5.612) 6.787 5.230 ( -7.948 0.918 -1.798) 8.200 5.920 ( 3.801 -8.242 -3.761) 9.825 6.286 ( -1.363 6.071 3.788) 7.285 6.686 ( 3.852 -0.038 1.651) 4.191 7.059 ( -0.598 -7.484 8.842) 11.600 8.190 ( -1.229 3.583 2.526) 4.553 8.439 ( 0.397 -1.314 4.733) 4.928 8.518 ( 1.328 0.543 2.099) 2.543 9.996 ( -1.505 1.775 -4.089) 4.705 10.202 ( -2.108 0.359 -4.345) 4.842 10.620 ( 7.368 -5.860 3.346) 9.991 10.778 ( -0.802 0.627 -1.481) 1.797 11.341 ( -2.275 5.803 1.029) 6.318 11.622 ( 0.810 -0.042 -1.282) 1.517 15.387 ( -3.019 0.421 -1.602) 3.444 15.569 ( 3.296 0.889 -1.351) 3.671 15.728 ( 0.050 1.799 4.742) 5.072 15.751 ( 2.979 -0.785 -1.475) 3.415 15.895 ( -3.955 -5.874 -2.829) 7.626 16.137 ( -1.378 1.635 -0.771) 2.273 23.416 ( -0.530 -6.595 0.766) 6.660 24.255 ( -3.953 7.064 2.179) 8.383 25.306 ( 6.444 -11.954 5.280) 14.571 25.640 ( 0.723 -0.677 1.543) 1.833 25.936 ( -4.573 9.181 -3.967) 10.997 26.237 ( 1.948 0.068 -2.004) 2.795 34.705 ( -2.209 4.568 -1.939) 5.432 35.217 ( 4.975 -0.407 -1.659) 5.260 36.524 ( -1.049 1.390 1.465) 2.276 36.600 ( 0.781 0.238 1.738) 1.920 36.857 ( -1.296 -3.585 2.728) 4.688 37.779 ( -1.409 -1.341 -3.975) 4.426 92.206 ( 0.134 -0.123 0.686) 0.710 93.896 ( 0.239 1.217 2.981) 3.228 93.986 ( 0.608 0.154 2.009) 2.105 95.583 ( -0.500 1.511 -4.762) 5.021 95.731 ( 0.735 -0.367 -5.089) 5.155 98.806 ( -3.076 -5.062 8.513) 10.371 ======================= Grid point 561 (169/188) ======================= q-point: (-0.50 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -5.093 0.582 6.235) 8.072 2.951 ( -5.888 1.232 17.093) 18.120 3.036 ( 0.914 0.947 2.698) 3.001 3.469 ( 5.782 6.004 -23.340) 24.784 4.360 ( 6.015 -12.078 -6.658) 15.046 4.773 ( -4.749 4.335 -3.667) 7.402 5.106 ( 4.469 5.044 -4.798) 8.273 5.180 ( 0.460 5.026 -0.753) 5.103 5.921 ( 5.418 -7.502 -4.257) 10.186 6.301 ( -3.761 5.325 3.336) 7.323 6.678 ( -2.413 -4.137 1.986) 5.184 7.045 ( 5.758 -3.778 8.984) 11.320 8.217 ( -0.327 4.264 1.270) 4.461 8.416 ( -0.867 -2.381 5.650) 6.192 8.535 ( 0.487 -0.385 1.216) 1.366 10.003 ( -0.917 3.926 -2.446) 4.716 10.157 ( -2.002 -1.988 -4.006) 4.899 10.668 ( 5.151 -7.225 2.088) 9.116 10.766 ( -1.362 1.169 -1.892) 2.608 11.349 ( -3.225 5.183 0.178) 6.107 11.610 ( -1.400 -1.157 -0.236) 1.832 15.368 ( -0.337 1.470 -0.979) 1.798 15.606 ( -0.257 0.784 -1.581) 1.783 15.726 ( -2.177 -0.520 4.333) 4.877 15.754 ( 0.655 -4.105 -4.439) 6.081 15.877 ( 5.700 1.225 -0.099) 5.831 16.136 ( -0.878 1.945 -0.563) 2.207 23.410 ( 5.492 -3.121 0.863) 6.375 24.263 ( -3.708 7.552 2.473) 8.769 25.306 ( 7.325 -11.869 4.731) 14.728 25.640 ( 0.279 -0.993 1.782) 2.059 25.938 ( -5.360 8.419 -5.147) 11.229 26.231 ( -1.750 -1.538 -0.678) 2.427 34.704 ( -2.840 3.981 -2.157) 5.345 35.220 ( -1.993 -4.202 -1.525) 4.894 36.517 ( -0.772 0.851 1.036) 1.547 36.610 ( -0.237 0.350 1.823) 1.871 36.851 ( 3.365 -0.924 3.093) 4.663 37.780 ( 1.951 0.575 -4.036) 4.519 92.206 ( 0.069 -0.172 0.656) 0.682 93.899 ( -0.882 0.482 2.684) 2.866 93.982 ( -0.811 -0.547 2.386) 2.579 95.590 ( -0.421 1.510 -5.368) 5.593 95.724 ( -0.580 -1.119 -4.589) 4.759 98.805 ( 5.875 0.125 8.562) 10.384 ======================= Grid point 562 (170/188) ======================= q-point: (-0.40 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -7.552 0.266 7.239) 10.465 2.833 ( -7.700 -2.034 17.108) 18.871 3.035 ( -1.187 0.196 -0.381) 1.262 3.697 ( 12.265 7.435 -18.864) 23.697 4.385 ( 8.694 -7.618 -4.400) 12.368 4.780 ( -0.817 6.970 -3.798) 7.980 5.182 ( 2.336 3.026 -3.324) 5.066 5.351 ( 10.049 3.770 -1.544) 10.843 5.960 ( 4.204 -1.024 -3.639) 5.654 6.262 ( -4.080 0.845 3.078) 5.180 6.535 ( -8.125 -5.901 2.062) 10.252 7.173 ( 11.061 -0.280 7.932) 13.614 8.242 ( -2.433 3.753 1.814) 4.826 8.380 ( 0.851 -3.106 5.028) 5.971 8.521 ( -1.557 -0.875 0.546) 1.868 10.043 ( 0.202 5.262 -0.777) 5.323 10.105 ( -1.140 -2.494 -6.146) 6.730 10.636 ( -0.455 -7.291 -0.176) 7.308 10.763 ( -0.672 1.401 -0.955) 1.824 11.335 ( -2.979 2.784 0.647) 4.128 11.557 ( -3.228 -1.298 0.440) 3.507 15.397 ( 1.411 1.888 -0.145) 2.362 15.596 ( -1.642 1.781 -2.337) 3.366 15.651 ( -2.825 -3.511 1.209) 4.666 15.744 ( 0.395 -1.523 -1.382) 2.094 16.026 ( 8.440 0.825 0.837) 8.521 16.155 ( 1.394 2.897 -0.850) 3.326 23.537 ( 10.965 -0.282 0.984) 11.013 24.275 ( -2.807 6.009 2.207) 6.989 25.325 ( 7.384 -9.752 3.985) 12.865 25.631 ( -0.239 -0.899 1.803) 2.029 25.918 ( -6.458 8.016 -5.616) 11.726 26.147 ( -5.308 -3.422 0.083) 6.315 34.688 ( -2.697 2.633 -2.175) 4.352 35.088 ( -7.179 -5.031 -1.450) 8.886 36.511 ( -0.793 0.335 0.701) 1.110 36.589 ( -2.014 -0.595 1.859) 2.804 36.950 ( 7.347 1.418 3.220) 8.146 37.851 ( 4.810 1.543 -3.909) 6.388 92.205 ( 0.039 -0.157 0.529) 0.553 93.877 ( -1.701 -0.341 2.789) 3.284 93.950 ( -2.161 -0.562 2.049) 3.031 95.596 ( -0.443 1.068 -5.694) 5.811 95.692 ( -1.738 -1.230 -3.699) 4.268 98.998 ( 14.103 3.309 7.466) 16.297 ======================= Grid point 563 (171/188) ======================= q-point: (-0.30 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( -8.362 1.117 6.678) 10.760 2.648 ( -10.050 -3.986 15.725) 19.083 3.023 ( -0.324 0.544 1.556) 1.680 4.013 ( 17.896 3.658 -13.559) 22.748 4.498 ( 8.964 -1.556 -2.473) 9.428 4.883 ( 3.471 9.192 -4.249) 10.705 5.255 ( 6.081 -3.510 -3.887) 8.025 5.533 ( 7.435 1.670 -0.761) 7.658 6.041 ( 0.973 7.124 -1.036) 7.264 6.191 ( -0.827 -6.320 1.017) 6.454 6.304 ( -12.416 -3.320 0.852) 12.880 7.394 ( 13.695 1.076 7.734) 15.765 8.195 ( -4.434 0.368 4.191) 6.112 8.397 ( 2.254 -0.364 1.938) 2.995 8.461 ( -4.215 -1.560 1.403) 4.709 10.077 ( 0.625 -1.987 -8.733) 8.978 10.109 ( 0.999 5.674 -1.163) 5.878 10.524 ( -4.831 -5.462 -1.272) 7.402 10.761 ( -0.832 0.624 -0.115) 1.046 11.306 ( -1.835 -0.064 2.090) 2.782 11.481 ( -4.652 -0.247 0.187) 4.663 15.435 ( 0.788 1.339 0.452) 1.619 15.556 ( -3.877 -1.251 2.155) 4.609 15.622 ( 1.728 0.962 -3.960) 4.427 15.733 ( 0.087 -1.471 -0.357) 1.516 16.104 ( 1.385 -0.166 0.847) 1.632 16.293 ( 9.785 2.732 -0.703) 10.183 23.761 ( 14.184 1.133 1.129) 14.273 24.284 ( -1.210 2.890 1.460) 3.456 25.369 ( 6.659 -5.529 3.184) 9.223 25.615 ( -0.785 -0.604 1.501) 1.798 25.873 ( -7.889 7.452 -4.715) 11.832 25.988 ( -7.961 -5.192 -0.333) 9.511 34.666 ( -1.939 0.965 -1.947) 2.913 34.909 ( -8.331 -2.907 -1.577) 8.964 36.496 ( -1.151 -0.020 0.707) 1.351 36.541 ( -2.604 -0.664 1.762) 3.213 37.100 ( 7.854 1.444 3.147) 8.584 37.962 ( 6.096 1.274 -3.711) 7.249 92.205 ( 0.117 -0.076 0.346) 0.372 93.840 ( -1.878 -0.691 3.066) 3.661 93.902 ( -2.985 -0.160 1.346) 3.278 95.594 ( -0.439 0.054 -5.406) 5.424 95.647 ( -2.366 -0.405 -2.994) 3.838 99.321 ( 18.650 3.383 5.350) 19.695 ======================= Grid point 568 (172/188) ======================= q-point: ( 0.20 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 5.332 6.182 3.698) 8.962 2.794 ( 3.857 8.613 17.875) 20.213 3.042 ( 0.962 0.716 -0.613) 1.347 3.748 ( -9.323 -8.841 -14.982) 19.737 4.333 ( -2.539 -11.088 -8.059) 13.941 4.904 ( 3.178 -5.549 -5.307) 8.310 5.128 ( -7.362 2.758 -5.316) 9.490 5.409 ( -2.345 -7.961 -2.142) 8.571 5.970 ( -4.814 -8.681 -3.040) 10.382 6.252 ( 3.098 8.191 5.826) 10.519 6.478 ( 5.380 7.033 2.555) 9.216 7.177 ( -5.491 -11.020 8.987) 15.243 8.260 ( -0.880 5.169 4.738) 7.067 8.367 ( 1.704 -3.263 2.396) 4.392 8.501 ( 0.054 2.396 1.714) 2.946 10.049 ( -1.700 1.343 -3.745) 4.326 10.178 ( 5.833 -1.923 -5.206) 8.051 10.507 ( -3.895 1.318 1.709) 4.453 10.781 ( 0.752 0.555 -1.460) 1.734 11.360 ( 1.640 4.253 2.003) 4.978 11.551 ( 2.362 2.176 -0.930) 3.344 15.440 ( 1.693 -2.033 -0.943) 2.809 15.559 ( -4.194 2.397 -2.913) 5.641 15.641 ( 3.094 1.075 -0.477) 3.310 15.728 ( -0.037 0.586 2.004) 2.088 16.035 ( -3.407 -6.504 0.490) 7.359 16.190 ( -1.284 -2.645 -1.316) 3.221 23.536 ( -5.795 -10.999 1.257) 12.495 24.343 ( 1.496 4.034 2.021) 4.754 25.214 ( -3.922 -7.147 4.882) 9.502 25.622 ( 0.203 0.433 1.651) 1.719 26.046 ( 1.260 5.148 -3.857) 6.555 26.068 ( 4.881 5.000 -2.028) 7.276 34.728 ( 2.304 3.657 -1.829) 4.693 35.022 ( 2.997 5.765 -1.831) 6.750 36.521 ( 1.104 1.117 0.953) 1.837 36.576 ( 0.548 1.995 1.845) 2.772 36.967 ( -3.938 -7.277 3.140) 8.851 37.866 ( -2.758 -4.665 -4.131) 6.814 92.203 ( -0.032 -0.019 0.683) 0.684 93.872 ( 0.935 2.035 3.361) 4.039 93.947 ( 1.283 1.698 1.364) 2.528 95.602 ( -0.215 1.133 -5.347) 5.470 95.684 ( 1.356 0.979 -4.357) 4.667 99.033 ( -7.938 -13.807 7.487) 17.598 ======================= Grid point 569 (173/188) ======================= q-point: ( 0.30 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 2.902 5.258 3.387) 6.895 2.930 ( 3.551 5.271 13.372) 14.806 3.057 ( 0.277 -0.376 0.779) 0.908 3.552 ( -8.338 1.436 -16.523) 18.564 4.201 ( 1.764 -14.217 -10.950) 18.032 4.875 ( 0.158 -5.691 -5.202) 7.712 5.076 ( -4.971 8.628 -6.295) 11.780 5.319 ( -2.225 -2.683 -4.293) 5.530 5.804 ( -2.177 -10.257 -2.041) 10.682 6.371 ( 0.577 8.610 6.231) 10.644 6.612 ( 4.947 1.491 3.743) 6.381 7.004 ( -2.897 -9.009 10.296) 13.984 8.263 ( -2.721 3.604 4.104) 6.102 8.398 ( 3.158 -0.826 3.877) 5.068 8.512 ( -0.176 0.289 1.817) 1.848 10.048 ( -1.235 3.541 -2.882) 4.730 10.238 ( 0.900 0.046 -5.179) 5.257 10.453 ( 1.703 -5.822 4.234) 7.398 10.794 ( -0.039 0.733 -2.672) 2.771 11.427 ( -0.160 5.879 1.039) 5.972 11.599 ( 1.696 0.131 -1.149) 2.053 15.431 ( -1.219 -1.512 -3.024) 3.594 15.540 ( 0.221 2.551 -2.679) 3.706 15.697 ( 2.441 -0.575 -0.690) 2.601 15.740 ( 0.377 1.241 3.694) 3.915 15.898 ( -3.734 -6.576 -0.723) 7.596 16.172 ( -0.712 0.920 -1.043) 1.562 23.366 ( -2.662 -8.015 1.346) 8.552 24.407 ( -2.009 9.254 2.808) 9.877 25.101 ( 1.806 -11.716 5.432) 13.039 25.629 ( 0.270 -0.035 1.846) 1.866 26.079 ( -2.831 6.495 -3.022) 7.702 26.185 ( 4.351 0.705 -3.022) 5.344 34.798 ( -0.645 6.662 -1.976) 6.979 35.118 ( 4.637 -0.031 -1.969) 5.038 36.551 ( 0.527 1.715 1.324) 2.230 36.594 ( -0.012 0.893 1.904) 2.103 36.843 ( -2.519 -5.666 3.131) 6.946 37.788 ( -1.861 -2.687 -4.535) 5.590 92.203 ( 0.048 -0.023 0.940) 0.942 93.906 ( 0.595 1.955 3.204) 3.800 93.975 ( 0.785 0.319 1.819) 2.007 95.610 ( -0.503 1.842 -5.423) 5.749 95.707 ( 1.121 -0.595 -5.404) 5.551 98.810 ( -4.826 -8.005 9.026) 12.994 ======================= Grid point 570 (174/188) ======================= q-point: ( 0.40 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( -3.111 3.081 4.049) 5.964 3.011 ( 2.146 0.879 7.326) 7.684 3.035 ( -2.001 -0.791 4.548) 5.031 3.515 ( -2.646 9.378 -17.875) 20.358 4.122 ( 6.163 -14.383 -11.004) 19.130 4.823 ( -0.395 -2.802 -5.234) 5.950 5.126 ( -0.166 9.659 -5.710) 11.221 5.263 ( -3.916 1.165 -5.170) 6.590 5.731 ( 5.565 -9.441 -2.044) 11.148 6.432 ( -3.165 7.507 5.521) 9.841 6.658 ( 0.678 -2.719 4.258) 5.097 6.923 ( 2.661 -5.519 11.447) 12.984 8.265 ( -0.639 3.139 3.625) 4.838 8.418 ( -0.971 -0.384 4.373) 4.496 8.513 ( 1.142 -0.928 1.669) 2.225 10.075 ( -1.310 6.119 -1.956) 6.556 10.193 ( -4.115 -1.342 -3.229) 5.400 10.473 ( 7.581 -8.250 2.923) 11.579 10.795 ( -0.748 0.921 -3.286) 3.493 11.460 ( -2.754 5.442 0.115) 6.100 11.609 ( 0.211 -1.242 -0.627) 1.407 15.397 ( -1.431 0.641 -3.157) 3.525 15.592 ( 2.224 1.327 -2.637) 3.696 15.701 ( 0.734 -3.912 -2.979) 4.972 15.754 ( -0.867 0.707 4.304) 4.447 15.820 ( 0.970 -1.500 0.484) 1.851 16.171 ( -0.927 1.530 -0.997) 2.048 23.300 ( 2.382 -4.477 1.425) 5.268 24.443 ( -5.867 10.973 3.392) 12.897 25.054 ( 7.227 -12.939 5.215) 15.711 25.631 ( 0.167 -0.292 1.996) 2.024 26.085 ( -3.513 5.901 -4.048) 7.972 26.226 ( 0.724 -1.207 -1.927) 2.386 34.825 ( -4.300 7.108 -2.187) 8.590 35.164 ( 2.998 -4.705 -1.962) 5.914 36.555 ( -1.873 1.642 1.500) 2.908 36.610 ( 0.848 0.640 1.796) 2.087 36.787 ( 1.472 -3.204 3.290) 4.822 37.758 ( 0.478 -0.778 -4.727) 4.814 92.204 ( 0.044 -0.062 1.024) 1.027 93.923 ( -0.706 1.422 2.845) 3.258 93.981 ( 0.203 -0.590 2.331) 2.413 95.619 ( -0.820 2.013 -5.769) 6.165 95.710 ( 0.578 -1.543 -5.543) 5.783 98.727 ( 1.578 -2.754 9.595) 10.106 ======================= Grid point 572 (175/188) ======================= q-point: (-0.50 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -6.583 1.735 4.223) 8.011 2.945 ( -6.387 -1.243 13.666) 15.136 3.047 ( 0.327 0.436 0.020) 0.545 3.605 ( 4.302 4.436 -18.257) 19.275 4.156 ( 10.075 -5.947 -9.472) 15.053 4.826 ( 1.278 2.020 -5.680) 6.162 5.188 ( -2.424 -0.855 -5.737) 6.287 5.260 ( 4.690 4.719 -3.302) 7.427 5.805 ( 9.853 -3.275 -2.599) 10.704 6.393 ( -7.410 2.669 5.519) 9.617 6.595 ( -3.968 -2.824 4.505) 6.634 6.993 ( 8.810 -1.095 10.152) 13.486 8.304 ( 1.316 3.369 2.968) 4.679 8.359 ( -3.680 -2.548 4.766) 6.538 8.523 ( 0.389 -0.708 1.384) 1.603 10.095 ( -2.739 0.158 1.037) 2.933 10.136 ( -1.309 4.657 -6.528) 8.125 10.511 ( 5.458 -7.438 1.976) 9.435 10.789 ( -0.885 0.866 -2.788) 3.050 11.435 ( -4.740 2.578 0.283) 5.403 11.588 ( -1.391 -0.663 -0.289) 1.568 15.403 ( 0.428 2.019 -2.294) 3.086 15.601 ( -0.192 -2.832 -4.662) 5.458 15.669 ( -1.304 -0.683 0.411) 1.528 15.741 ( -0.791 0.138 2.502) 2.627 15.894 ( 7.133 0.466 0.433) 7.161 16.171 ( -0.528 1.177 -0.880) 1.561 23.362 ( 7.999 -1.305 1.405) 8.225 24.417 ( -6.696 5.743 3.090) 9.346 25.097 ( 9.244 -7.253 5.019) 12.776 25.629 ( -0.093 -0.254 1.968) 1.986 26.078 ( -4.048 5.619 -4.920) 8.496 26.185 ( -3.081 -3.157 -1.031) 4.530 34.794 ( -5.476 4.047 -2.172) 7.147 35.123 ( -2.197 -4.328 -1.827) 5.186 36.538 ( -1.548 1.143 1.106) 2.219 36.610 ( -1.007 -0.562 1.885) 2.210 36.838 ( 6.150 -0.242 3.379) 7.021 37.789 ( 3.291 0.213 -4.569) 5.635 92.203 ( 0.007 -0.070 0.922) 0.925 93.908 ( -1.892 0.280 2.988) 3.548 93.972 ( -0.799 -0.291 2.084) 2.251 95.618 ( -1.019 0.873 -6.049) 6.196 95.700 ( -0.329 -0.845 -4.843) 4.927 98.810 ( 9.328 0.202 9.056) 13.003 ======================= Grid point 576 (176/188) ======================= q-point: (-0.10 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -2.743 5.019 11.608) 12.940 2.515 ( -5.980 9.759 8.413) 14.205 3.026 ( 0.604 -1.397 5.223) 5.440 4.361 ( 14.305 -18.618 -7.171) 24.550 4.602 ( 1.950 -7.435 1.411) 7.815 5.000 ( 1.393 -5.709 -2.794) 6.507 5.297 ( 4.362 -9.692 -0.307) 10.633 5.686 ( 4.105 -0.233 -4.197) 5.875 5.967 ( -10.272 13.018 -0.492) 16.590 6.160 ( 2.482 2.776 -4.048) 5.501 6.186 ( -3.031 -1.078 1.177) 3.425 7.691 ( 6.441 -10.008 3.964) 12.544 8.132 ( -4.844 1.571 1.383) 5.277 8.283 ( 2.084 4.730 8.550) 9.991 8.461 ( -1.323 1.432 -0.118) 1.953 10.080 ( 0.114 -2.179 -12.489) 12.678 10.203 ( -0.453 -1.526 -3.665) 3.996 10.369 ( -1.363 5.930 0.967) 6.161 10.742 ( -0.299 0.388 1.074) 1.180 11.298 ( 0.959 2.071 1.495) 2.728 11.385 ( -4.129 3.425 0.867) 5.434 15.431 ( -0.070 0.002 2.219) 2.221 15.507 ( -1.692 2.738 0.246) 3.228 15.626 ( 2.541 -4.371 0.892) 5.134 15.760 ( -0.229 1.151 -3.202) 3.410 16.118 ( 0.007 -0.068 0.165) 0.179 16.475 ( 4.549 -8.250 -0.116) 9.421 24.029 ( 7.212 -11.811 0.183) 13.840 24.281 ( -0.513 -0.503 1.671) 1.819 25.507 ( 2.256 -1.759 -3.915) 4.849 25.593 ( -0.521 2.000 0.476) 2.121 25.743 ( -1.515 6.226 1.409) 6.560 25.786 ( -6.657 5.175 0.267) 8.436 34.648 ( 0.008 1.084 -1.933) 2.216 34.760 ( -3.813 5.598 -1.460) 6.929 36.471 ( -0.179 1.041 1.369) 1.729 36.499 ( -1.439 1.866 1.013) 2.565 37.231 ( 2.860 -5.088 2.975) 6.551 38.066 ( 2.918 -4.990 -3.238) 6.626 92.209 ( 0.045 -0.047 -0.012) 0.067 93.821 ( -0.082 2.026 1.961) 2.821 93.835 ( -2.141 1.741 2.033) 3.428 95.563 ( 0.580 0.144 -2.434) 2.506 95.623 ( -1.539 1.620 -4.428) 4.960 99.659 ( 8.510 -14.784 2.503) 17.241 ======================= Grid point 580 (177/188) ======================= q-point: ( 0.30 0.30 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( 3.080 3.815 2.983) 5.739 2.991 ( -0.939 0.495 6.280) 6.369 3.037 ( 0.032 -1.108 1.222) 1.650 3.661 ( 2.909 7.897 -14.379) 16.661 3.931 ( -5.252 -11.662 -12.224) 17.692 4.797 ( -0.696 -1.967 -5.960) 6.315 5.236 ( -1.086 6.719 -6.779) 9.606 5.278 ( 3.550 -1.769 -6.585) 7.687 5.616 ( -4.229 -7.092 -0.858) 8.302 6.525 ( 2.323 5.813 6.121) 8.756 6.614 ( 0.324 -1.117 5.423) 5.546 6.866 ( -2.267 -4.161 12.388) 13.263 8.291 ( -0.507 -0.190 5.406) 5.433 8.426 ( 2.212 2.950 2.755) 4.603 8.495 ( -1.325 -1.821 1.911) 2.953 10.150 ( 0.083 6.221 -2.385) 6.663 10.215 ( 5.321 -2.050 -2.222) 6.120 10.338 ( -6.053 -5.234 3.216) 8.625 10.806 ( 0.269 0.376 -3.872) 3.900 11.525 ( 1.795 3.585 -0.060) 4.010 11.588 ( -0.370 -1.172 -0.508) 1.330 15.410 ( 0.173 -0.425 -4.091) 4.116 15.595 ( -0.148 2.701 -3.418) 4.359 15.658 ( -0.435 -2.889 -2.408) 3.786 15.765 ( 0.889 1.226 3.607) 3.912 15.807 ( -1.648 -2.614 1.865) 3.609 16.188 ( 0.305 0.507 -1.185) 1.325 23.255 ( -1.638 -2.938 1.665) 3.753 24.602 ( 5.217 9.527 3.995) 11.574 24.876 ( -5.710 -10.271 4.967) 12.758 25.628 ( -0.020 -0.035 2.133) 2.134 26.162 ( 1.306 1.945 -3.453) 4.173 26.196 ( 0.061 0.389 -2.427) 2.459 34.932 ( 3.699 6.106 -2.216) 7.475 35.080 ( -2.186 -3.438 -2.143) 4.603 36.582 ( 1.647 1.400 1.523) 2.644 36.610 ( -0.836 0.279 1.817) 2.020 36.752 ( -1.494 -2.910 3.498) 4.789 37.750 ( -0.604 -1.031 -4.998) 5.139 92.203 ( -0.002 -0.000 1.158) 1.158 93.942 ( 0.803 1.499 2.845) 3.315 93.971 ( -0.292 -0.626 2.384) 2.482 95.647 ( 0.720 1.630 -6.046) 6.303 95.687 ( -0.503 -1.240 -5.795) 5.948 98.700 ( -1.679 -2.913 9.975) 10.527 ======================= Grid point 585 (178/188) ======================= q-point: (-0.20 0.30 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -5.419 5.071 11.719) 13.872 2.708 ( -5.542 7.057 13.170) 15.936 3.014 ( -0.567 -0.378 2.015) 2.127 3.948 ( 15.056 -12.270 -8.698) 21.281 4.485 ( 0.355 -11.485 -0.830) 11.521 4.861 ( 8.113 -3.124 -1.772) 8.872 5.181 ( -0.094 -8.346 2.852) 8.821 5.561 ( 6.429 -5.803 -3.275) 9.260 6.014 ( 5.669 -0.046 0.214) 5.673 6.269 ( -3.550 4.030 -5.161) 7.448 6.343 ( -10.861 10.479 -2.996) 15.387 7.466 ( 8.430 -8.614 1.620) 12.161 8.222 ( 0.048 4.190 1.530) 4.461 8.292 ( -2.861 -0.276 8.423) 8.900 8.496 ( -0.590 1.809 0.660) 2.014 10.080 ( -1.898 -0.775 -9.793) 10.006 10.167 ( 3.757 0.469 -5.618) 6.775 10.480 ( -5.939 2.932 3.114) 7.318 10.746 ( 0.044 -0.179 1.384) 1.396 11.306 ( 1.176 3.058 2.060) 3.870 11.491 ( -4.482 2.406 -0.915) 5.169 15.433 ( 0.248 -0.278 1.091) 1.153 15.537 ( 1.879 -4.337 3.345) 5.791 15.570 ( -2.333 2.716 0.643) 3.638 15.774 ( 0.125 1.647 -3.705) 4.056 16.117 ( 0.103 -0.253 -0.228) 0.356 16.291 ( 6.899 -8.170 -0.801) 10.723 23.775 ( 8.204 -11.359 -0.096) 14.012 24.290 ( 1.027 2.952 0.806) 3.228 25.452 ( -0.648 -6.129 -4.702) 7.752 25.617 ( -0.674 1.052 1.362) 1.848 25.788 ( 3.230 8.898 3.038) 9.942 25.996 ( -9.902 3.518 -0.821) 10.541 34.662 ( 0.385 2.410 -1.603) 2.920 34.909 ( -7.025 5.317 -1.527) 8.942 36.487 ( -0.364 1.090 1.579) 1.953 36.548 ( -1.935 1.927 1.009) 2.911 37.108 ( 4.899 -5.791 2.454) 7.972 37.951 ( 4.276 -5.219 -2.730) 7.278 92.209 ( 0.011 0.150 -0.035) 0.155 93.847 ( -0.590 1.993 2.416) 3.187 93.895 ( -2.674 1.753 1.824) 3.681 95.558 ( 0.195 0.182 -2.044) 2.061 95.666 ( -1.695 1.143 -4.694) 5.120 99.330 ( 12.141 -13.900 4.437) 18.982 ======================= Grid point 586 (179/188) ======================= q-point: (-0.10 0.30 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -1.582 7.390 12.545) 14.645 2.702 ( -3.796 8.120 12.835) 15.655 3.006 ( 0.113 -0.330 2.313) 2.339 3.981 ( 6.113 -18.474 -12.709) 23.242 4.466 ( 8.057 -6.198 2.768) 10.536 4.890 ( -3.614 -5.225 -0.353) 6.363 5.114 ( 6.803 -8.660 1.631) 11.133 5.574 ( 2.925 -8.875 -2.488) 9.670 6.043 ( -1.358 -3.792 -0.361) 4.044 6.245 ( -2.314 5.066 -5.606) 7.902 6.344 ( -4.415 14.526 -2.069) 15.322 7.471 ( 3.406 -11.581 1.871) 12.216 8.176 ( -3.892 2.217 2.461) 5.111 8.360 ( 3.875 3.006 7.665) 9.099 8.492 ( -1.667 1.718 -1.465) 2.807 10.034 ( -0.988 -2.219 -5.975) 6.449 10.191 ( -2.422 0.215 -5.956) 6.433 10.490 ( 2.470 6.007 -0.051) 6.495 10.747 ( 0.043 0.128 1.596) 1.601 11.333 ( -1.498 1.190 -0.447) 1.965 11.465 ( -1.629 4.443 1.812) 5.067 15.437 ( -0.471 0.255 2.931) 2.980 15.510 ( 1.686 -3.660 0.090) 4.031 15.593 ( 0.482 2.763 1.857) 3.364 15.783 ( -0.827 1.286 -4.309) 4.572 16.116 ( 0.119 -0.280 -0.162) 0.344 16.283 ( 3.110 -10.659 -0.117) 11.104 23.781 ( 6.057 -12.535 -0.038) 13.921 24.273 ( -3.964 -0.315 1.207) 4.156 25.469 ( 6.811 -1.882 -5.172) 8.757 25.620 ( 0.091 1.214 -0.090) 1.221 25.820 ( -10.636 2.330 2.640) 11.204 25.951 ( 1.715 9.417 1.334) 9.665 34.672 ( -1.759 1.254 -2.165) 3.058 34.900 ( -1.520 8.383 -1.095) 8.590 36.496 ( -0.247 1.426 1.182) 1.868 36.541 ( -1.078 2.239 1.225) 2.771 37.106 ( 2.394 -7.281 2.680) 8.120 37.952 ( 2.454 -6.264 -2.812) 7.291 92.209 ( -0.104 0.087 -0.075) 0.155 93.859 ( -0.844 1.715 1.203) 2.258 93.883 ( -0.857 2.923 3.146) 4.379 95.568 ( 0.585 0.250 -2.848) 2.918 95.658 ( -0.871 1.793 -4.025) 4.492 99.330 ( 5.920 -17.500 4.495) 19.014 ======================= Grid point 596 (180/188) ======================= q-point: (-0.30 0.40 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -5.857 3.740 11.157) 13.144 2.811 ( -1.950 1.125 18.951) 19.084 3.032 ( -0.893 -0.401 2.730) 2.900 3.645 ( 10.531 -3.310 -15.211) 18.795 4.378 ( -2.799 -13.636 -3.022) 14.245 4.725 ( 4.336 -1.019 1.753) 4.787 5.109 ( 1.945 -2.877 3.108) 4.661 5.360 ( 9.139 -7.337 -2.588) 12.002 5.934 ( 0.726 -4.120 -1.437) 4.424 6.359 ( 0.506 8.398 -6.260) 10.487 6.596 ( -8.185 6.479 -3.231) 10.927 7.259 ( 6.366 -6.551 0.339) 9.141 8.210 ( 3.677 3.316 5.288) 7.244 8.377 ( -5.291 -0.205 2.755) 5.969 8.515 ( 0.048 1.262 2.338) 2.658 10.095 ( 5.281 2.920 -8.222) 10.199 10.128 ( -3.193 -0.664 -5.469) 6.368 10.605 ( -6.996 -0.821 3.056) 7.679 10.736 ( 0.441 -0.973 1.653) 1.968 11.316 ( 1.938 4.179 2.423) 5.205 11.575 ( -3.208 1.011 -1.392) 3.640 15.389 ( 2.565 -2.473 0.655) 3.623 15.519 ( -2.508 -0.911 4.622) 5.337 15.629 ( -1.961 1.059 2.004) 2.997 15.789 ( 0.158 2.026 -4.124) 4.597 16.074 ( 4.283 -6.509 -3.666) 8.611 16.135 ( 2.711 0.091 0.903) 2.859 23.552 ( 5.465 -9.108 -0.400) 10.630 24.298 ( 3.633 6.451 -0.022) 7.404 25.414 ( -3.927 -9.272 -4.438) 11.004 25.637 ( -1.005 -0.068 1.166) 1.541 25.817 ( 3.720 9.258 3.790) 10.674 26.161 ( -6.034 1.716 -1.091) 6.368 34.681 ( 1.012 3.638 -1.458) 4.048 35.086 ( -7.987 3.258 -1.278) 8.720 36.502 ( -0.175 1.069 1.566) 1.904 36.595 ( -1.300 1.466 1.266) 2.333 36.966 ( 4.797 -5.192 1.831) 7.302 37.833 ( 3.583 -4.236 -2.297) 6.005 92.212 ( -0.019 0.303 -0.089) 0.317 93.877 ( -0.616 1.733 2.708) 3.274 93.952 ( -2.122 1.100 1.876) 3.039 95.559 ( 0.034 0.425 -2.260) 2.299 95.700 ( -1.502 -0.022 -4.334) 4.587 99.015 ( 10.044 -9.680 5.854) 15.128 ======================= Grid point 597 (181/188) ======================= q-point: (-0.20 0.40 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -3.224 6.169 13.355) 15.060 2.798 ( -1.351 1.845 18.582) 18.723 3.016 ( -0.755 0.202 1.812) 1.974 3.741 ( 5.536 -7.899 -14.695) 17.578 4.268 ( 5.227 -9.622 -1.309) 11.028 4.803 ( 6.961 -3.091 4.156) 8.676 5.041 ( -4.591 -5.236 3.023) 7.591 5.413 ( 5.489 -7.871 -2.476) 9.910 5.936 ( 5.117 -6.647 -0.223) 8.391 6.403 ( -5.764 7.664 -8.761) 12.989 6.549 ( -5.121 9.963 -3.580) 11.760 7.284 ( 5.594 -9.090 -0.812) 10.704 8.278 ( -5.276 -0.153 3.568) 6.371 8.320 ( 3.749 4.222 5.004) 7.545 8.523 ( -0.360 0.883 0.485) 1.069 10.061 ( -3.641 -0.574 -5.067) 6.265 10.209 ( 2.492 3.071 -8.250) 9.149 10.507 ( -1.328 -0.006 2.063) 2.454 10.740 ( 0.635 -0.469 2.563) 2.682 11.375 ( -0.632 3.464 0.641) 3.579 11.534 ( -2.475 2.071 0.569) 3.277 15.421 ( 3.563 -2.702 1.318) 4.662 15.461 ( -2.289 -0.943 4.684) 5.298 15.628 ( -0.446 2.401 1.593) 2.915 15.808 ( -0.289 1.841 -4.889) 5.232 16.071 ( 3.085 -6.239 -3.035) 7.593 16.160 ( 1.204 -2.646 1.292) 3.182 23.555 ( 6.340 -10.298 -0.492) 12.103 24.364 ( -3.803 4.248 -0.028) 5.702 25.326 ( 4.725 -6.255 -5.605) 9.637 25.631 ( -0.258 0.560 0.885) 1.079 25.953 ( 0.531 6.438 3.791) 7.490 26.059 ( -6.649 3.471 -0.098) 7.501 34.726 ( -1.438 3.760 -1.683) 4.363 35.014 ( -3.698 5.138 -1.059) 6.419 36.515 ( -0.125 1.769 1.495) 2.319 36.584 ( -1.589 1.514 1.055) 2.435 36.981 ( 3.798 -6.804 1.975) 8.039 37.844 ( 3.105 -5.296 -2.089) 6.485 92.213 ( -0.124 0.253 -0.256) 0.381 93.888 ( -0.526 1.957 1.901) 2.779 93.931 ( -1.693 1.773 2.701) 3.648 95.567 ( 0.053 0.629 -2.140) 2.231 95.682 ( -0.576 0.425 -4.016) 4.080 99.055 ( 7.546 -13.136 5.419) 16.090 ======================= Grid point 598 (182/188) ======================= q-point: (-0.10 0.40 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( -0.702 6.925 13.974) 15.611 2.804 ( -0.108 2.290 17.952) 18.098 3.015 ( 0.222 0.646 1.538) 1.683 3.677 ( -0.121 -11.504 -18.816) 22.054 4.365 ( 11.889 -3.916 2.013) 12.678 4.825 ( -7.491 -0.690 -0.610) 7.547 4.952 ( 7.570 -7.807 4.188) 11.653 5.380 ( 1.025 -10.059 -1.121) 10.173 5.966 ( 4.219 -3.316 -2.426) 5.889 6.337 ( -7.464 4.014 -6.281) 10.549 6.600 ( -2.197 10.552 -3.007) 11.189 7.262 ( 2.002 -8.926 1.586) 9.285 8.202 ( -3.116 0.281 1.613) 3.520 8.407 ( 2.119 1.940 6.397) 7.013 8.524 ( -0.458 1.286 -0.988) 1.685 10.001 ( -2.248 -0.987 -3.711) 4.449 10.205 ( -3.388 0.870 -5.711) 6.697 10.594 ( 6.374 4.409 -0.970) 7.811 10.747 ( 0.605 -0.174 2.181) 2.271 11.343 ( -4.046 -0.033 -0.091) 4.047 11.548 ( 0.054 3.784 1.521) 4.079 15.395 ( -0.413 -3.804 3.572) 5.234 15.492 ( 3.034 1.939 0.202) 3.607 15.654 ( 0.474 2.589 2.778) 3.827 15.813 ( -1.324 1.749 -5.434) 5.860 16.054 ( 3.072 -8.939 -2.094) 9.681 16.130 ( -1.618 -1.437 1.285) 2.516 23.560 ( 5.118 -9.386 -0.219) 10.693 24.271 ( -7.360 0.169 0.500) 7.379 25.436 ( 9.998 -1.437 -4.983) 11.263 25.642 ( 1.254 0.858 -0.291) 1.547 25.851 ( -11.051 0.885 3.218) 11.544 26.114 ( 1.821 6.804 1.243) 7.153 34.694 ( -3.696 0.829 -2.008) 4.287 35.073 ( 1.313 8.600 -0.919) 8.748 36.523 ( -0.928 1.107 0.933) 1.720 36.580 ( -0.372 1.516 1.427) 2.115 36.962 ( 1.873 -6.770 2.380) 7.416 37.835 ( 1.942 -5.226 -2.439) 6.085 92.212 ( -0.229 0.166 -0.151) 0.321 93.888 ( -1.060 1.221 1.700) 2.346 93.939 ( -0.093 2.572 3.053) 3.993 95.571 ( 0.098 0.031 -3.378) 3.380 95.691 ( 0.375 1.440 -3.432) 3.741 99.014 ( 3.323 -13.540 5.950) 15.158 ======================= Grid point 607 (183/188) ======================= q-point: (-0.40 0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( -4.493 1.525 10.479) 11.503 2.815 ( 0.092 -3.026 22.135) 22.341 3.016 ( 0.709 -1.492 6.092) 6.312 3.527 ( 4.813 4.278 -22.045) 22.966 4.320 ( -6.016 -13.502 -2.404) 14.976 4.706 ( -1.814 1.158 3.890) 4.445 5.050 ( 5.588 -1.025 -0.587) 5.711 5.158 ( 4.730 -1.742 0.914) 5.123 5.907 ( -3.829 -7.118 -2.800) 8.554 6.407 ( 4.290 9.332 -6.865) 12.354 6.737 ( -2.814 2.796 -3.244) 5.125 7.138 ( 1.748 -3.319 0.468) 3.781 8.189 ( 2.166 3.006 3.760) 5.279 8.439 ( -1.750 -0.129 2.574) 3.115 8.525 ( -0.596 0.317 2.567) 2.654 10.034 ( 4.532 2.638 -5.535) 7.625 10.182 ( -2.031 1.308 -6.112) 6.572 10.686 ( -5.439 -5.877 0.888) 8.056 10.717 ( 0.161 -0.372 2.536) 2.568 11.324 ( 2.407 5.175 2.432) 6.204 11.616 ( -1.116 -0.359 -0.771) 1.403 15.336 ( 0.869 -1.505 2.087) 2.716 15.564 ( -2.278 -0.789 2.803) 3.697 15.653 ( -1.763 -1.511 4.141) 4.747 15.813 ( -0.657 2.252 -4.043) 4.674 15.940 ( 4.102 -3.355 -5.260) 7.467 16.122 ( 0.862 1.092 0.632) 1.528 23.425 ( 0.482 -5.704 -0.548) 5.751 24.293 ( 5.429 8.257 -0.365) 9.888 25.403 ( -6.136 -10.508 -4.177) 12.866 25.649 ( -1.075 -1.020 0.655) 1.620 25.842 ( 4.144 9.284 3.825) 10.863 26.232 ( -1.712 -0.536 -0.647) 1.907 34.697 ( 1.773 4.308 -1.513) 4.898 35.214 ( -4.659 -0.862 -0.935) 4.830 36.516 ( 0.007 1.536 1.232) 1.969 36.613 ( 0.348 0.403 1.573) 1.661 36.868 ( 1.419 -2.973 1.594) 3.659 37.759 ( 0.968 -2.348 -2.121) 3.309 92.215 ( 0.066 0.317 -0.155) 0.359 93.899 ( -0.103 1.290 2.665) 2.963 93.983 ( -0.739 0.078 2.234) 2.354 95.564 ( 0.037 0.615 -2.904) 2.969 95.715 ( -1.014 -1.156 -3.654) 3.964 98.827 ( 3.524 -4.010 6.522) 8.428 ======================= Grid point 608 (184/188) ======================= q-point: (-0.30 0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( -3.017 3.531 13.827) 14.586 2.800 ( 0.571 -1.815 21.614) 21.698 3.011 ( 0.405 -1.424 5.572) 5.765 3.647 ( 3.553 2.997 -17.798) 18.395 4.120 ( -0.793 -12.010 -4.867) 12.983 4.691 ( 2.085 -2.493 7.487) 8.162 5.086 ( -2.640 0.856 3.559) 4.513 5.241 ( 7.343 -4.235 -1.866) 8.680 5.797 ( 1.287 -8.575 -2.240) 8.956 6.541 ( -0.258 8.838 -8.545) 12.296 6.703 ( -4.378 4.100 -5.187) 7.930 7.130 ( 3.138 -5.958 -2.362) 7.136 8.268 ( 2.938 2.051 5.924) 6.924 8.392 ( -3.887 1.839 0.986) 4.412 8.524 ( 0.355 -0.310 1.772) 1.834 10.133 ( -2.894 1.958 -3.261) 4.780 10.175 ( 4.576 4.254 -9.634) 11.482 10.528 ( -4.342 -6.390 0.787) 7.766 10.721 ( 0.690 -0.542 3.657) 3.761 11.415 ( 1.159 5.274 2.121) 5.802 11.583 ( -2.006 -0.204 0.122) 2.020 15.345 ( 2.078 -2.043 3.382) 4.464 15.505 ( -3.156 -0.080 4.235) 5.282 15.635 ( 0.701 -0.947 2.457) 2.725 15.830 ( -0.023 1.994 -4.949) 5.335 15.954 ( 2.533 -4.872 -4.989) 7.419 16.146 ( 0.526 0.649 1.301) 1.546 23.386 ( 2.871 -7.163 -0.894) 7.768 24.462 ( 1.182 9.895 -1.280) 10.047 25.203 ( -1.271 -11.574 -4.995) 12.669 25.639 ( -0.227 0.157 1.018) 1.054 25.989 ( 2.784 7.534 3.365) 8.708 26.175 ( -4.390 -0.148 -0.006) 4.392 34.784 ( 0.933 6.579 -1.271) 6.765 35.113 ( -4.838 -0.661 -0.860) 4.958 36.536 ( 0.013 2.283 1.389) 2.672 36.617 ( -0.717 0.627 1.249) 1.571 36.861 ( 2.652 -5.131 1.300) 5.921 37.755 ( 1.884 -3.426 -1.543) 4.203 92.218 ( -0.058 0.296 -0.421) 0.518 93.913 ( -0.170 1.861 2.464) 3.092 93.968 ( -1.205 0.402 2.414) 2.728 95.576 ( 0.035 1.269 -2.103) 2.457 95.686 ( -0.570 -1.277 -3.419) 3.694 98.844 ( 4.751 -7.199 5.827) 10.409 ======================= Grid point 609 (185/188) ======================= q-point: (-0.20 0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( -1.183 4.471 16.419) 17.058 2.797 ( 1.001 -1.433 19.858) 19.935 3.006 ( 0.524 -0.985 4.718) 4.848 3.649 ( -3.820 -1.900 -19.147) 19.617 4.121 ( 10.686 -5.157 -2.568) 12.139 4.739 ( 6.762 -3.307 7.662) 10.741 4.993 ( -8.327 0.751 1.648) 8.522 5.273 ( 2.010 -6.158 -0.360) 6.488 5.807 ( 7.724 -5.496 -2.581) 9.825 6.528 ( -8.349 4.669 -8.590) 12.857 6.711 ( -1.027 5.832 -5.344) 7.976 7.133 ( 3.861 -5.673 -1.632) 7.053 8.264 ( -3.464 -0.857 3.765) 5.188 8.399 ( 1.060 3.381 3.273) 4.824 8.529 ( 0.515 -0.280 0.551) 0.805 10.068 ( -5.218 1.266 -4.470) 6.986 10.256 ( -1.318 0.816 -7.083) 7.251 10.500 ( 6.748 0.080 -0.404) 6.760 10.727 ( 0.765 -0.781 3.776) 3.931 11.426 ( -4.262 1.504 0.959) 4.621 11.573 ( 0.406 1.772 1.379) 2.282 15.351 ( 1.176 -3.007 4.484) 5.526 15.488 ( 0.243 2.506 2.034) 3.236 15.649 ( 1.672 -0.584 3.285) 3.732 15.846 ( -0.393 1.827 -5.516) 5.824 15.936 ( 1.535 -5.595 -4.225) 7.177 16.145 ( -0.932 -0.100 1.350) 1.643 23.389 ( 5.089 -6.098 -0.828) 7.986 24.447 ( -10.280 3.862 -1.080) 11.035 25.216 ( 11.539 -4.614 -5.272) 13.499 25.639 ( 0.058 0.271 0.818) 0.864 26.015 ( -6.845 0.710 2.892) 7.465 26.146 ( 0.930 4.409 0.818) 4.579 34.792 ( -5.668 2.485 -1.461) 6.359 35.104 ( 2.463 3.833 -0.727) 4.614 36.552 ( -0.863 1.737 1.259) 2.312 36.602 ( -1.103 0.268 1.134) 1.605 36.860 ( 2.997 -4.782 1.574) 5.859 37.756 ( 2.067 -3.349 -1.592) 4.245 92.218 ( -0.207 0.197 -0.439) 0.524 93.919 ( -1.157 1.043 1.994) 2.530 93.962 ( -0.175 1.283 2.935) 3.208 95.580 ( -0.794 0.581 -2.502) 2.689 95.684 ( 1.148 -0.125 -3.086) 3.295 98.844 ( 3.823 -7.712 5.857) 10.412 ======================= Grid point 610 (186/188) ======================= q-point: (-0.10 0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 0.333 4.474 14.905) 15.566 2.811 ( 2.694 -1.295 19.005) 19.238 3.010 ( 0.882 -0.686 4.675) 4.806 3.537 ( -5.104 -3.192 -23.084) 23.856 4.316 ( 14.052 -1.106 0.114) 14.096 4.793 ( -1.680 -5.849 3.104) 6.831 4.900 ( 0.356 6.053 0.510) 6.085 5.206 ( -1.607 -6.873 0.291) 7.064 5.919 ( 8.291 -1.456 -3.242) 9.021 6.397 ( -10.078 1.905 -6.841) 12.328 6.741 ( -1.217 3.511 -3.503) 5.107 7.139 ( 1.600 -3.279 1.473) 3.935 8.194 ( -3.093 -0.678 2.001) 3.746 8.439 ( 0.576 1.112 4.578) 4.747 8.536 ( 0.466 -0.106 0.635) 0.795 9.999 ( -3.585 0.856 -4.140) 5.543 10.211 ( -2.325 -0.475 -5.550) 6.036 10.663 ( 7.277 2.631 -0.830) 7.782 10.737 ( 1.862 -0.933 2.672) 3.388 11.336 ( -5.557 -0.613 1.425) 5.770 11.605 ( 0.671 1.807 0.434) 1.976 15.337 ( 0.469 -1.663 2.975) 3.441 15.544 ( 2.362 2.758 0.976) 3.760 15.677 ( 2.152 -0.554 4.489) 5.009 15.849 ( -1.064 0.959 -5.167) 5.362 15.899 ( 0.187 -4.340 -3.624) 5.658 16.121 ( -1.360 -0.105 0.670) 1.520 23.429 ( 4.627 -3.605 -0.447) 5.883 24.279 ( -9.636 0.652 -0.117) 9.658 25.413 ( 11.929 -0.895 -4.431) 12.757 25.652 ( 1.733 0.174 0.051) 1.743 25.856 ( -10.566 -0.288 3.595) 11.165 26.213 ( 1.477 3.091 0.320) 3.441 34.703 ( -4.725 0.067 -1.728) 5.031 35.208 ( 3.239 4.164 -0.808) 5.337 36.531 ( -1.755 -0.432 0.801) 1.977 36.601 ( 0.017 0.815 1.649) 1.840 36.866 ( 1.697 -2.509 1.987) 3.622 37.760 ( 1.577 -2.077 -2.196) 3.409 92.215 ( -0.299 0.072 -0.185) 0.359 93.904 ( -1.054 0.288 2.277) 2.525 93.978 ( 0.264 1.209 2.704) 2.974 95.569 ( -0.403 -0.188 -3.425) 3.453 95.712 ( 1.393 0.653 -3.240) 3.587 98.826 ( 1.697 -5.006 6.571) 8.433 ======================= Grid point 617 (187/188) ======================= q-point: (-0.40 0.60 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( -1.465 0.409 14.069) 14.151 2.761 ( 0.636 -1.618 23.377) 23.442 2.995 ( -0.154 -0.623 5.926) 5.960 3.637 ( 3.761 6.392 -19.039) 20.432 4.068 ( -6.746 -11.433 -4.751) 14.100 4.683 ( -3.684 -2.710 8.689) 9.819 5.069 ( 8.729 2.967 -1.042) 9.278 5.172 ( -3.124 2.107 3.082) 4.868 5.746 ( -5.120 -8.153 -3.639) 10.292 6.581 ( 4.997 7.625 -8.461) 12.438 6.766 ( -0.352 -0.004 -5.758) 5.769 7.074 ( -1.786 -2.751 -2.416) 4.074 8.253 ( 1.695 3.013 4.319) 5.532 8.439 ( 0.128 0.132 2.062) 2.070 8.518 ( -0.891 -0.909 1.376) 1.874 10.108 ( 5.781 4.641 -4.923) 8.899 10.226 ( -2.234 3.063 -6.604) 7.615 10.519 ( -4.170 -9.792 -1.291) 10.721 10.715 ( -0.373 -0.097 4.374) 4.391 11.436 ( 2.663 5.380 2.252) 6.411 11.596 ( -0.554 -1.629 0.699) 1.857 15.318 ( -0.479 -0.456 4.399) 4.448 15.536 ( 0.425 -1.492 2.655) 3.075 15.617 ( -2.353 -1.858 3.811) 4.849 15.853 ( -0.673 1.661 -4.800) 5.124 15.896 ( 1.062 -1.254 -5.802) 6.030 16.145 ( 0.632 1.031 1.322) 1.792 23.326 ( -2.366 -3.863 -1.019) 4.643 24.497 ( 7.496 11.712 -1.747) 14.015 25.160 ( -8.136 -13.009 -4.735) 16.058 25.642 ( -0.087 -0.109 0.932) 0.943 26.011 ( 3.282 7.357 2.914) 8.567 26.202 ( -0.321 -2.430 0.450) 2.492 34.814 ( 3.720 7.074 -1.217) 8.085 35.149 ( -2.610 -5.216 -0.649) 5.868 36.560 ( 0.276 2.617 1.013) 2.820 36.614 ( 1.045 -0.298 1.457) 1.818 36.811 ( -1.536 -2.586 1.214) 3.244 37.721 ( -0.825 -1.403 -1.377) 2.132 92.220 ( 0.113 0.211 -0.499) 0.553 93.927 ( 0.604 1.439 2.454) 2.908 93.978 ( -0.104 -0.615 2.577) 2.652 95.585 ( 0.667 1.411 -2.522) 2.965 95.682 ( -1.036 -1.991 -2.785) 3.577 98.766 ( -1.191 -2.089 5.925) 6.394 ======================= Grid point 619 (188/188) ======================= q-point: (-0.30 0.60 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( -0.756 1.533 17.995) 18.076 2.763 ( 0.757 -1.436 21.328) 21.390 2.990 ( 0.228 -0.512 5.920) 5.947 3.735 ( -3.129 5.176 -15.185) 16.346 3.919 ( 4.712 -7.899 -8.463) 12.499 4.644 ( 1.506 -1.719 9.143) 9.424 5.130 ( -4.688 2.923 3.108) 6.339 5.192 ( 3.148 -1.465 1.000) 3.613 5.646 ( 3.178 -5.260 -4.246) 7.470 6.678 ( -3.066 4.588 -8.321) 9.985 6.747 ( 0.145 0.319 -7.041) 7.049 7.044 ( 1.473 -2.410 -3.798) 4.733 8.287 ( -0.097 0.190 5.244) 5.249 8.443 ( -1.662 2.766 1.107) 3.411 8.503 ( 1.156 -1.748 1.237) 2.433 10.192 ( -5.712 3.598 -6.204) 9.169 10.257 ( 3.511 3.368 -6.364) 8.011 10.384 ( 2.064 -6.981 -0.956) 7.343 10.713 ( 0.225 -0.264 4.924) 4.936 11.503 ( -1.613 3.245 1.937) 4.109 11.567 ( 0.501 -1.292 1.494) 2.038 15.313 ( 0.654 -0.990 5.272) 5.404 15.524 ( -1.638 1.984 2.943) 3.909 15.592 ( 2.143 -2.898 3.129) 4.773 15.864 ( -0.118 1.346 -5.363) 5.531 15.891 ( 0.302 -1.739 -5.562) 5.835 16.156 ( -0.182 0.296 1.627) 1.664 23.286 ( 1.598 -2.698 -1.236) 3.371 24.672 ( -6.464 10.418 -2.631) 12.539 24.974 ( 6.696 -10.874 -4.234) 13.454 25.641 ( -0.020 0.041 0.904) 0.905 26.101 ( -1.093 3.487 2.206) 4.268 26.161 ( -0.396 -0.960 0.980) 1.428 34.918 ( -3.239 6.078 -0.938) 6.950 35.064 ( 1.871 -3.732 -0.669) 4.228 36.585 ( -0.550 2.327 1.225) 2.686 36.616 ( -0.437 -0.663 1.180) 1.422 36.780 ( 1.514 -2.540 0.983) 3.116 37.707 ( 0.762 -1.313 -1.075) 1.860 92.222 ( -0.068 0.122 -0.625) 0.641 93.946 ( -0.550 1.225 2.439) 2.784 93.967 ( 0.043 -0.360 2.629) 2.653 95.607 ( -0.874 1.635 -2.211) 2.885 95.654 ( 0.942 -1.736 -2.584) 3.252 98.745 ( 1.490 -2.589 5.655) 6.395 =================== 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 3/49500 10.0 123.594 123.594 96.936 0.000 0.000 -0.000 3/49500 20.0 54.424 54.424 59.742 0.000 0.000 0.000 3/49500 30.0 27.350 27.350 35.038 0.000 -0.000 0.000 3/49500 40.0 15.288 15.288 21.940 0.000 -0.000 0.000 3/49500 50.0 9.686 9.686 15.158 0.000 -0.000 0.000 3/49500 60.0 6.814 6.814 11.322 0.000 -0.000 0.000 3/49500 70.0 5.173 5.173 8.949 0.000 -0.000 0.000 3/49500 80.0 4.144 4.144 7.371 0.000 -0.000 0.000 3/49500 90.0 3.449 3.449 6.259 0.000 -0.000 0.000 3/49500 100.0 2.953 2.953 5.441 0.000 -0.000 0.000 3/49500 110.0 2.583 2.583 4.816 0.000 -0.000 0.000 3/49500 120.0 2.298 2.298 4.324 0.000 -0.000 0.000 3/49500 130.0 2.072 2.072 3.927 0.000 -0.000 0.000 3/49500 140.0 1.888 1.888 3.599 0.000 -0.000 0.000 3/49500 150.0 1.736 1.736 3.325 0.000 -0.000 0.000 3/49500 160.0 1.609 1.609 3.091 0.000 0.000 0.000 3/49500 170.0 1.500 1.500 2.890 0.000 0.000 0.000 3/49500 180.0 1.406 1.406 2.714 0.000 0.000 0.000 3/49500 190.0 1.324 1.324 2.559 0.000 0.000 0.000 3/49500 200.0 1.252 1.252 2.422 0.000 0.000 0.000 3/49500 210.0 1.188 1.188 2.299 0.000 0.000 0.000 3/49500 220.0 1.131 1.131 2.189 0.000 0.000 0.000 3/49500 230.0 1.080 1.080 2.088 0.000 0.000 0.000 3/49500 240.0 1.033 1.033 1.997 0.000 0.000 0.000 3/49500 250.0 0.991 0.991 1.914 0.000 0.000 0.000 3/49500 260.0 0.952 0.952 1.838 0.000 0.000 0.000 3/49500 270.0 0.916 0.916 1.768 0.000 0.000 0.000 3/49500 280.0 0.883 0.883 1.703 0.000 0.000 0.000 3/49500 290.0 0.853 0.853 1.642 0.000 0.000 0.000 3/49500 300.0 0.824 0.824 1.586 0.000 0.000 0.000 3/49500 310.0 0.798 0.798 1.534 0.000 0.000 0.000 3/49500 320.0 0.773 0.773 1.485 0.000 0.000 0.000 3/49500 330.0 0.750 0.750 1.439 0.000 0.000 0.000 3/49500 340.0 0.728 0.728 1.396 0.000 0.000 0.000 3/49500 350.0 0.708 0.708 1.356 0.000 0.000 0.000 3/49500 360.0 0.689 0.689 1.318 0.000 0.000 0.000 3/49500 370.0 0.670 0.670 1.282 0.000 0.000 0.000 3/49500 380.0 0.653 0.653 1.248 0.000 0.000 0.000 3/49500 390.0 0.637 0.637 1.216 0.000 0.000 0.000 3/49500 400.0 0.621 0.621 1.185 0.000 0.000 0.000 3/49500 410.0 0.606 0.606 1.156 0.000 0.000 0.000 3/49500 420.0 0.592 0.592 1.129 0.000 0.000 0.000 3/49500 430.0 0.579 0.579 1.103 0.000 0.000 0.000 3/49500 440.0 0.566 0.566 1.078 0.000 0.000 0.000 3/49500 450.0 0.554 0.554 1.054 0.000 0.000 0.000 3/49500 460.0 0.542 0.542 1.031 0.000 0.000 0.000 3/49500 470.0 0.531 0.531 1.009 0.000 0.000 0.000 3/49500 480.0 0.520 0.520 0.988 0.000 0.000 0.000 3/49500 490.0 0.510 0.510 0.968 0.000 0.000 0.000 3/49500 500.0 0.500 0.500 0.949 0.000 0.000 0.000 3/49500 510.0 0.490 0.490 0.930 0.000 0.000 0.000 3/49500 520.0 0.481 0.481 0.913 0.000 0.000 0.000 3/49500 530.0 0.472 0.472 0.896 0.000 0.000 0.000 3/49500 540.0 0.464 0.464 0.879 0.000 0.000 0.000 3/49500 550.0 0.456 0.456 0.863 0.000 0.000 0.000 3/49500 560.0 0.448 0.448 0.848 0.000 0.000 0.000 3/49500 570.0 0.440 0.440 0.833 0.000 0.000 0.000 3/49500 580.0 0.433 0.433 0.819 0.000 0.000 0.000 3/49500 590.0 0.426 0.426 0.805 0.000 0.000 0.000 3/49500 600.0 0.419 0.419 0.792 0.000 0.000 0.000 3/49500 610.0 0.412 0.412 0.779 0.000 0.000 0.000 3/49500 620.0 0.406 0.406 0.767 0.000 0.000 0.000 3/49500 630.0 0.399 0.399 0.755 0.000 0.000 0.000 3/49500 640.0 0.393 0.393 0.743 0.000 0.000 0.000 3/49500 650.0 0.387 0.387 0.732 0.000 0.000 0.000 3/49500 660.0 0.382 0.382 0.721 0.000 0.000 0.000 3/49500 670.0 0.376 0.376 0.711 0.000 0.000 0.000 3/49500 680.0 0.371 0.371 0.700 0.000 0.000 0.000 3/49500 690.0 0.366 0.366 0.690 0.000 0.000 0.000 3/49500 700.0 0.360 0.360 0.681 0.000 0.000 0.000 3/49500 710.0 0.355 0.355 0.671 0.000 0.000 0.000 3/49500 720.0 0.351 0.351 0.662 0.000 0.000 0.000 3/49500 730.0 0.346 0.346 0.653 0.000 0.000 0.000 3/49500 740.0 0.341 0.341 0.645 0.000 0.000 0.000 3/49500 750.0 0.337 0.337 0.636 0.000 0.000 0.000 3/49500 760.0 0.333 0.333 0.628 0.000 0.000 0.000 3/49500 770.0 0.328 0.328 0.620 0.000 0.000 0.000 3/49500 780.0 0.324 0.324 0.612 0.000 0.000 0.000 3/49500 790.0 0.320 0.320 0.605 0.000 0.000 0.000 3/49500 800.0 0.316 0.316 0.597 0.000 0.000 0.000 3/49500 810.0 0.313 0.313 0.590 0.000 0.000 0.000 3/49500 820.0 0.309 0.309 0.583 0.000 0.000 0.000 3/49500 830.0 0.305 0.305 0.576 0.000 0.000 0.000 3/49500 840.0 0.302 0.302 0.570 0.000 0.000 0.000 3/49500 850.0 0.298 0.298 0.563 0.000 0.000 0.000 3/49500 860.0 0.295 0.295 0.557 0.000 0.000 0.000 3/49500 870.0 0.292 0.292 0.551 0.000 0.000 0.000 3/49500 880.0 0.288 0.288 0.544 0.000 0.000 0.000 3/49500 890.0 0.285 0.285 0.538 0.000 0.000 0.000 3/49500 900.0 0.282 0.282 0.533 0.000 0.000 0.000 3/49500 910.0 0.279 0.279 0.527 0.000 0.000 0.000 3/49500 920.0 0.276 0.276 0.521 0.000 0.000 0.000 3/49500 930.0 0.273 0.273 0.516 0.000 0.000 0.000 3/49500 940.0 0.270 0.270 0.511 0.000 0.000 0.000 3/49500 950.0 0.268 0.268 0.505 0.000 0.000 0.000 3/49500 960.0 0.265 0.265 0.500 0.000 0.000 0.000 3/49500 970.0 0.262 0.262 0.495 0.000 0.000 0.000 3/49500 980.0 0.260 0.260 0.490 0.000 0.000 0.000 3/49500 990.0 0.257 0.257 0.486 0.000 0.000 0.000 3/49500 1000.0 0.255 0.255 0.481 0.000 0.000 0.000 3/49500 Thermal conductivity related properties were written into "kappa-m101011.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:50:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|