----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:08:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.937808159999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.925140010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.833900630000000 Atomic positions (fractional): *1 O 0.37456093058759 0.43770095102829 0.15322766183784 15.999 2 O 0.12543906941241 0.56229904897171 0.65322766183784 15.999 3 O 0.62543906941241 0.93770095102829 0.84677233816216 15.999 4 O 0.87456093058759 0.06229904897171 0.34677233816216 15.999 5 O 0.62543906941241 0.56229904897171 0.84677233816216 15.999 6 O 0.87456093058759 0.43770095102829 0.34677233816216 15.999 7 O 0.37456093058759 0.06229904897171 0.15322766183784 15.999 8 O 0.12543906941241 0.93770095102829 0.65322766183784 15.999 *9 O 0.12173918454782 0.75000000000000 0.21047578740675 15.999 10 O 0.37826081545217 0.25000000000000 0.71047578740675 15.999 11 O 0.87826081545218 0.25000000000000 0.78952421259325 15.999 12 O 0.62173918454782 0.75000000000000 0.28952421259325 15.999 *13 O 0.35293330280463 0.75000000000000 0.53996666827591 15.999 14 O 0.14706669719537 0.25000000000000 0.03996666827592 15.999 15 O 0.64706669719537 0.25000000000000 0.46003333172409 15.999 16 O 0.85293330280463 0.75000000000000 0.96003333172409 15.999 *17 P 0.67692247057095 0.75000000000000 0.98209891273558 30.974 18 P 0.82307752942905 0.25000000000000 0.48209891273558 30.974 19 P 0.32307752942905 0.25000000000000 0.01790108726442 30.974 20 P 0.17692247057095 0.75000000000000 0.51790108726442 30.974 *21 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 22 In 0.00000000000000 0.50000000000000 0.00000000000000 114.818 23 In 0.50000000000000 0.00000000000000 0.50000000000000 114.818 24 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.937808159999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.925140010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.833900630000000 Atomic positions (fractional): *1 O 0.37456093058759 0.43770095102829 0.15322766183784 15.999 > 1 2 O 0.12543906941241 0.56229904897171 0.65322766183784 15.999 > 2 3 O 0.62543906941241 0.93770095102829 0.84677233816216 15.999 > 3 4 O 0.87456093058759 0.06229904897171 0.34677233816216 15.999 > 4 5 O 0.62543906941241 0.56229904897171 0.84677233816216 15.999 > 5 6 O 0.87456093058759 0.43770095102829 0.34677233816216 15.999 > 6 7 O 0.37456093058759 0.06229904897171 0.15322766183784 15.999 > 7 8 O 0.12543906941241 0.93770095102829 0.65322766183784 15.999 > 8 *9 O 0.12173918454782 0.75000000000000 0.21047578740675 15.999 > 9 10 O 0.37826081545217 0.25000000000000 0.71047578740675 15.999 > 10 11 O 0.87826081545218 0.25000000000000 0.78952421259325 15.999 > 11 12 O 0.62173918454782 0.75000000000000 0.28952421259325 15.999 > 12 *13 O 0.35293330280463 0.75000000000000 0.53996666827591 15.999 > 13 14 O 0.14706669719537 0.25000000000000 0.03996666827592 15.999 > 14 15 O 0.64706669719537 0.25000000000000 0.46003333172409 15.999 > 15 16 O 0.85293330280463 0.75000000000000 0.96003333172409 15.999 > 16 *17 P 0.67692247057095 0.75000000000000 0.98209891273558 30.974 > 17 18 P 0.82307752942905 0.25000000000000 0.48209891273558 30.974 > 18 19 P 0.32307752942905 0.25000000000000 0.01790108726442 30.974 > 19 20 P 0.17692247057095 0.75000000000000 0.51790108726442 30.974 > 20 *21 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 > 21 22 In 0.00000000000000 0.50000000000000 0.00000000000000 114.818 > 22 23 In 0.50000000000000 0.00000000000000 0.50000000000000 114.818 > 23 24 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.937808159999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.850280020000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.667801259999999 Atomic positions (fractional): *1 O 0.37456093058759 0.21885047551414 0.07661383091892 15.999 > 1 2 O 0.37456093058759 0.71885047551414 0.07661383091892 15.999 > 1 3 O 0.37456093058759 0.21885047551414 0.57661383091892 15.999 > 1 4 O 0.37456093058759 0.71885047551414 0.57661383091892 15.999 > 1 5 O 0.12543906941241 0.28114952448586 0.32661383091892 15.999 > 2 6 O 0.12543906941241 0.78114952448586 0.32661383091892 15.999 > 2 7 O 0.12543906941241 0.28114952448586 0.82661383091892 15.999 > 2 8 O 0.12543906941241 0.78114952448586 0.82661383091892 15.999 > 2 9 O 0.62543906941241 0.46885047551414 0.42338616908108 15.999 > 3 10 O 0.62543906941241 0.96885047551414 0.42338616908108 15.999 > 3 11 O 0.62543906941241 0.46885047551414 0.92338616908108 15.999 > 3 12 O 0.62543906941241 0.96885047551414 0.92338616908108 15.999 > 3 13 O 0.87456093058759 0.03114952448586 0.17338616908108 15.999 > 4 14 O 0.87456093058759 0.53114952448586 0.17338616908108 15.999 > 4 15 O 0.87456093058759 0.03114952448586 0.67338616908108 15.999 > 4 16 O 0.87456093058759 0.53114952448586 0.67338616908108 15.999 > 4 17 O 0.62543906941241 0.28114952448586 0.42338616908108 15.999 > 5 18 O 0.62543906941241 0.78114952448586 0.42338616908108 15.999 > 5 19 O 0.62543906941241 0.28114952448586 0.92338616908108 15.999 > 5 20 O 0.62543906941241 0.78114952448586 0.92338616908108 15.999 > 5 21 O 0.87456093058759 0.21885047551414 0.17338616908108 15.999 > 6 22 O 0.87456093058759 0.71885047551414 0.17338616908108 15.999 > 6 23 O 0.87456093058759 0.21885047551414 0.67338616908108 15.999 > 6 24 O 0.87456093058759 0.71885047551414 0.67338616908108 15.999 > 6 25 O 0.37456093058759 0.03114952448586 0.07661383091892 15.999 > 7 26 O 0.37456093058759 0.53114952448586 0.07661383091892 15.999 > 7 27 O 0.37456093058759 0.03114952448586 0.57661383091892 15.999 > 7 28 O 0.37456093058759 0.53114952448586 0.57661383091892 15.999 > 7 29 O 0.12543906941241 0.46885047551414 0.32661383091892 15.999 > 8 30 O 0.12543906941241 0.96885047551414 0.32661383091892 15.999 > 8 31 O 0.12543906941241 0.46885047551414 0.82661383091892 15.999 > 8 32 O 0.12543906941241 0.96885047551414 0.82661383091892 15.999 > 8 *33 O 0.12173918454782 0.37500000000000 0.10523789370338 15.999 > 9 34 O 0.12173918454782 0.87500000000000 0.10523789370338 15.999 > 9 35 O 0.12173918454782 0.37500000000000 0.60523789370338 15.999 > 9 36 O 0.12173918454782 0.87500000000000 0.60523789370338 15.999 > 9 37 O 0.37826081545217 0.12500000000000 0.35523789370338 15.999 > 10 38 O 0.37826081545217 0.62500000000000 0.35523789370338 15.999 > 10 39 O 0.37826081545217 0.12500000000000 0.85523789370338 15.999 > 10 40 O 0.37826081545217 0.62500000000000 0.85523789370338 15.999 > 10 41 O 0.87826081545218 0.12500000000000 0.39476210629662 15.999 > 11 42 O 0.87826081545218 0.62500000000000 0.39476210629662 15.999 > 11 43 O 0.87826081545218 0.12500000000000 0.89476210629662 15.999 > 11 44 O 0.87826081545218 0.62500000000000 0.89476210629662 15.999 > 11 45 O 0.62173918454782 0.37500000000000 0.14476210629662 15.999 > 12 46 O 0.62173918454782 0.87500000000000 0.14476210629662 15.999 > 12 47 O 0.62173918454782 0.37500000000000 0.64476210629662 15.999 > 12 48 O 0.62173918454782 0.87500000000000 0.64476210629662 15.999 > 12 *49 O 0.35293330280463 0.37500000000000 0.26998333413796 15.999 > 13 50 O 0.35293330280463 0.87500000000000 0.26998333413796 15.999 > 13 51 O 0.35293330280463 0.37500000000000 0.76998333413796 15.999 > 13 52 O 0.35293330280463 0.87500000000000 0.76998333413796 15.999 > 13 53 O 0.14706669719537 0.12500000000000 0.01998333413796 15.999 > 14 54 O 0.14706669719537 0.62500000000000 0.01998333413796 15.999 > 14 55 O 0.14706669719537 0.12500000000000 0.51998333413796 15.999 > 14 56 O 0.14706669719537 0.62500000000000 0.51998333413796 15.999 > 14 57 O 0.64706669719537 0.12500000000000 0.23001666586204 15.999 > 15 58 O 0.64706669719537 0.62500000000000 0.23001666586204 15.999 > 15 59 O 0.64706669719537 0.12500000000000 0.73001666586204 15.999 > 15 60 O 0.64706669719537 0.62500000000000 0.73001666586204 15.999 > 15 61 O 0.85293330280463 0.37500000000000 0.48001666586204 15.999 > 16 62 O 0.85293330280463 0.87500000000000 0.48001666586204 15.999 > 16 63 O 0.85293330280463 0.37500000000000 0.98001666586204 15.999 > 16 64 O 0.85293330280463 0.87500000000000 0.98001666586204 15.999 > 16 *65 P 0.67692247057095 0.37500000000000 0.49104945636779 30.974 > 17 66 P 0.67692247057095 0.87500000000000 0.49104945636779 30.974 > 17 67 P 0.67692247057095 0.37500000000000 0.99104945636779 30.974 > 17 68 P 0.67692247057095 0.87500000000000 0.99104945636779 30.974 > 17 69 P 0.82307752942905 0.12500000000000 0.24104945636779 30.974 > 18 70 P 0.82307752942905 0.62500000000000 0.24104945636779 30.974 > 18 71 P 0.82307752942905 0.12500000000000 0.74104945636779 30.974 > 18 72 P 0.82307752942905 0.62500000000000 0.74104945636779 30.974 > 18 73 P 0.32307752942905 0.12500000000000 0.00895054363221 30.974 > 19 74 P 0.32307752942905 0.62500000000000 0.00895054363221 30.974 > 19 75 P 0.32307752942905 0.12500000000000 0.50895054363221 30.974 > 19 76 P 0.32307752942905 0.62500000000000 0.50895054363221 30.974 > 19 77 P 0.17692247057095 0.37500000000000 0.25895054363221 30.974 > 20 78 P 0.17692247057095 0.87500000000000 0.25895054363221 30.974 > 20 79 P 0.17692247057095 0.37500000000000 0.75895054363221 30.974 > 20 80 P 0.17692247057095 0.87500000000000 0.75895054363221 30.974 > 20 *81 In 0.50000000000000 0.25000000000000 0.25000000000000 114.818 > 21 82 In 0.50000000000000 0.75000000000000 0.25000000000000 114.818 > 21 83 In 0.50000000000000 0.25000000000000 0.75000000000000 114.818 > 21 84 In 0.50000000000000 0.75000000000000 0.75000000000000 114.818 > 21 85 In 0.00000000000000 0.25000000000000 0.00000000000000 114.818 > 22 86 In 0.00000000000000 0.75000000000000 0.00000000000000 114.818 > 22 87 In 0.00000000000000 0.25000000000000 0.50000000000000 114.818 > 22 88 In 0.00000000000000 0.75000000000000 0.50000000000000 114.818 > 22 89 In 0.50000000000000 0.00000000000000 0.25000000000000 114.818 > 23 90 In 0.50000000000000 0.50000000000000 0.25000000000000 114.818 > 23 91 In 0.50000000000000 0.00000000000000 0.75000000000000 114.818 > 23 92 In 0.50000000000000 0.50000000000000 0.75000000000000 114.818 > 23 93 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 24 94 In 0.00000000000000 0.50000000000000 0.00000000000000 114.818 > 24 95 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 24 96 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2178066 0.0000000 0.0000000 0.0000000 3.2589803 0.0000000 0.0000000 0.0000000 3.2318734 -------------------------- Born effective charges -------------------------- 1 O -1.3950070 -0.4345335 -0.3984141 -0.3839409 -1.8377161 -0.5846052 -0.4673233 -0.7059005 -1.7934533 2 O -1.3950070 -0.4345335 0.3984141 -0.3839409 -1.8377161 0.5846052 0.4673233 0.7059005 -1.7934533 3 O -1.3950070 0.4345335 -0.3984141 0.3839409 -1.8377161 0.5846052 -0.4673233 0.7059005 -1.7934533 4 O -1.3950070 0.4345335 0.3984141 0.3839409 -1.8377161 -0.5846052 0.4673233 -0.7059005 -1.7934533 5 O -1.3950070 -0.4345335 -0.3984141 -0.3839409 -1.8377161 -0.5846052 -0.4673233 -0.7059005 -1.7934533 6 O -1.3950070 -0.4345335 0.3984141 -0.3839409 -1.8377161 0.5846052 0.4673233 0.7059005 -1.7934533 7 O -1.3950070 0.4345335 -0.3984141 0.3839409 -1.8377161 0.5846052 -0.4673233 0.7059005 -1.7934533 8 O -1.3950070 0.4345335 0.3984141 0.3839409 -1.8377161 -0.5846052 0.4673233 -0.7059005 -1.7934533 9 O -1.4218917 0.0000000 -0.7963978 0.0000000 -1.5752148 0.0000000 -0.7630317 0.0000000 -2.5942862 10 O -1.4218917 0.0000000 0.7963978 0.0000000 -1.5752148 0.0000000 0.7630317 0.0000000 -2.5942862 11 O -1.4218917 0.0000000 -0.7963978 0.0000000 -1.5752148 0.0000000 -0.7630317 0.0000000 -2.5942862 12 O -1.4218917 0.0000000 0.7963978 0.0000000 -1.5752148 0.0000000 0.7630317 0.0000000 -2.5942862 13 O -3.0278956 0.0000000 -0.1579113 0.0000000 -1.6550547 0.0000000 0.1511166 0.0000000 -1.0201833 14 O -3.0278956 0.0000000 0.1579113 0.0000000 -1.6550547 0.0000000 -0.1511166 0.0000000 -1.0201833 15 O -3.0278956 0.0000000 -0.1579113 0.0000000 -1.6550547 0.0000000 0.1511166 0.0000000 -1.0201833 16 O -3.0278956 0.0000000 0.1579113 0.0000000 -1.6550547 0.0000000 -0.1511166 0.0000000 -1.0201833 17 P 3.9279598 0.0000000 -0.3533895 0.0000000 3.2358027 0.0000000 0.1680146 0.0000000 3.8229893 18 P 3.9279598 0.0000000 0.3533895 0.0000000 3.2358027 0.0000000 -0.1680146 0.0000000 3.8229893 19 P 3.9279598 0.0000000 -0.3533895 0.0000000 3.2358027 0.0000000 0.1680146 0.0000000 3.8229893 20 P 3.9279598 0.0000000 0.3533895 0.0000000 3.2358027 0.0000000 -0.1680146 0.0000000 3.8229893 21 In 3.3118415 -0.2183627 0.2247041 0.1936402 3.6698991 0.1757291 -0.0233481 -0.3338976 3.3783868 22 In 3.3118415 -0.2183627 -0.2247041 0.1936402 3.6698991 -0.1757291 0.0233481 0.3338976 3.3783868 23 In 3.3118415 0.2183627 0.2247041 -0.1936402 3.6698991 -0.1757291 -0.0233481 0.3338976 3.3783868 24 In 3.3118415 0.2183627 -0.2247041 -0.1936402 3.6698991 0.1757291 0.0233481 -0.3338976 3.3783868 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1413 Number of blocks in projector: 1413 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 326 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 254 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 254 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 193 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 193 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 193 Use standard eigh solver. Tree of FC basis block matrices: - (1413, 1380), data: False |-- (193, 188), data: True |-- (193, 188), data: True |-- (193, 188), data: True |-- (254, 250), data: True |-- (254, 250), data: True |-- (326, 316), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.703 Solver_block: 200 / 400 - Time: 1.628 Solver_block: 300 / 400 - Time: 1.645 Solver_block: 400 / 400 - Time: 1.630 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.869 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zy) 0.00000000 (zy) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1413 Number of blocks in projector: 1413 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 326 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 254 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 254 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 193 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 193 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 193 Use standard eigh solver. Tree of FC basis block matrices: - (1413, 1380), data: False |-- (193, 188), data: True |-- (193, 188), data: True |-- (193, 188), data: True |-- (254, 250), data: True |-- (254, 250), data: True |-- (326, 316), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zy) 0.00000000 (zy) 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 05:08:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:08:48]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.937808159999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.925140010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.833900630000000 Atomic positions (fractional): 1 O 0.37456093058759 0.43770095102829 0.15322766183784 15.999 2 O 0.12543906941241 0.56229904897171 0.65322766183784 15.999 3 O 0.62543906941241 0.93770095102829 0.84677233816216 15.999 4 O 0.87456093058759 0.06229904897171 0.34677233816216 15.999 5 O 0.62543906941241 0.56229904897171 0.84677233816216 15.999 6 O 0.87456093058759 0.43770095102829 0.34677233816216 15.999 7 O 0.37456093058759 0.06229904897171 0.15322766183784 15.999 8 O 0.12543906941241 0.93770095102829 0.65322766183784 15.999 9 O 0.12173918454782 0.75000000000000 0.21047578740675 15.999 10 O 0.37826081545217 0.25000000000000 0.71047578740675 15.999 11 O 0.87826081545218 0.25000000000000 0.78952421259325 15.999 12 O 0.62173918454782 0.75000000000000 0.28952421259325 15.999 13 O 0.35293330280463 0.75000000000000 0.53996666827591 15.999 14 O 0.14706669719537 0.25000000000000 0.03996666827592 15.999 15 O 0.64706669719537 0.25000000000000 0.46003333172409 15.999 16 O 0.85293330280463 0.75000000000000 0.96003333172409 15.999 17 P 0.67692247057095 0.75000000000000 0.98209891273558 30.974 18 P 0.82307752942905 0.25000000000000 0.48209891273558 30.974 19 P 0.32307752942905 0.25000000000000 0.01790108726442 30.974 20 P 0.17692247057095 0.75000000000000 0.51790108726442 30.974 21 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 22 In 0.00000000000000 0.50000000000000 0.00000000000000 114.818 23 In 0.50000000000000 0.00000000000000 0.50000000000000 114.818 24 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.937808159999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.850280020000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.667801259999999 Atomic positions (fractional): 1 O 0.37456093058759 0.21885047551414 0.07661383091892 15.999 > 1 2 O 0.37456093058759 0.71885047551414 0.07661383091892 15.999 > 1 3 O 0.37456093058759 0.21885047551414 0.57661383091892 15.999 > 1 4 O 0.37456093058759 0.71885047551414 0.57661383091892 15.999 > 1 5 O 0.12543906941241 0.28114952448586 0.32661383091892 15.999 > 5 6 O 0.12543906941241 0.78114952448586 0.32661383091892 15.999 > 5 7 O 0.12543906941241 0.28114952448586 0.82661383091892 15.999 > 5 8 O 0.12543906941241 0.78114952448586 0.82661383091892 15.999 > 5 9 O 0.62543906941241 0.46885047551414 0.42338616908108 15.999 > 9 10 O 0.62543906941241 0.96885047551414 0.42338616908108 15.999 > 9 11 O 0.62543906941241 0.46885047551414 0.92338616908108 15.999 > 9 12 O 0.62543906941241 0.96885047551414 0.92338616908108 15.999 > 9 13 O 0.87456093058759 0.03114952448586 0.17338616908108 15.999 > 13 14 O 0.87456093058759 0.53114952448586 0.17338616908108 15.999 > 13 15 O 0.87456093058759 0.03114952448586 0.67338616908108 15.999 > 13 16 O 0.87456093058759 0.53114952448586 0.67338616908108 15.999 > 13 17 O 0.62543906941241 0.28114952448586 0.42338616908108 15.999 > 17 18 O 0.62543906941241 0.78114952448586 0.42338616908108 15.999 > 17 19 O 0.62543906941241 0.28114952448586 0.92338616908108 15.999 > 17 20 O 0.62543906941241 0.78114952448586 0.92338616908108 15.999 > 17 21 O 0.87456093058759 0.21885047551414 0.17338616908108 15.999 > 21 22 O 0.87456093058759 0.71885047551414 0.17338616908108 15.999 > 21 23 O 0.87456093058759 0.21885047551414 0.67338616908108 15.999 > 21 24 O 0.87456093058759 0.71885047551414 0.67338616908108 15.999 > 21 25 O 0.37456093058759 0.03114952448586 0.07661383091892 15.999 > 25 26 O 0.37456093058759 0.53114952448586 0.07661383091892 15.999 > 25 27 O 0.37456093058759 0.03114952448586 0.57661383091892 15.999 > 25 28 O 0.37456093058759 0.53114952448586 0.57661383091892 15.999 > 25 29 O 0.12543906941241 0.46885047551414 0.32661383091892 15.999 > 29 30 O 0.12543906941241 0.96885047551414 0.32661383091892 15.999 > 29 31 O 0.12543906941241 0.46885047551414 0.82661383091892 15.999 > 29 32 O 0.12543906941241 0.96885047551414 0.82661383091892 15.999 > 29 33 O 0.12173918454782 0.37500000000000 0.10523789370338 15.999 > 33 34 O 0.12173918454782 0.87500000000000 0.10523789370338 15.999 > 33 35 O 0.12173918454782 0.37500000000000 0.60523789370338 15.999 > 33 36 O 0.12173918454782 0.87500000000000 0.60523789370338 15.999 > 33 37 O 0.37826081545217 0.12500000000000 0.35523789370338 15.999 > 37 38 O 0.37826081545217 0.62500000000000 0.35523789370338 15.999 > 37 39 O 0.37826081545217 0.12500000000000 0.85523789370338 15.999 > 37 40 O 0.37826081545217 0.62500000000000 0.85523789370338 15.999 > 37 41 O 0.87826081545218 0.12500000000000 0.39476210629662 15.999 > 41 42 O 0.87826081545218 0.62500000000000 0.39476210629662 15.999 > 41 43 O 0.87826081545218 0.12500000000000 0.89476210629662 15.999 > 41 44 O 0.87826081545218 0.62500000000000 0.89476210629662 15.999 > 41 45 O 0.62173918454782 0.37500000000000 0.14476210629662 15.999 > 45 46 O 0.62173918454782 0.87500000000000 0.14476210629662 15.999 > 45 47 O 0.62173918454782 0.37500000000000 0.64476210629662 15.999 > 45 48 O 0.62173918454782 0.87500000000000 0.64476210629662 15.999 > 45 49 O 0.35293330280463 0.37500000000000 0.26998333413796 15.999 > 49 50 O 0.35293330280463 0.87500000000000 0.26998333413796 15.999 > 49 51 O 0.35293330280463 0.37500000000000 0.76998333413796 15.999 > 49 52 O 0.35293330280463 0.87500000000000 0.76998333413796 15.999 > 49 53 O 0.14706669719537 0.12500000000000 0.01998333413796 15.999 > 53 54 O 0.14706669719537 0.62500000000000 0.01998333413796 15.999 > 53 55 O 0.14706669719537 0.12500000000000 0.51998333413796 15.999 > 53 56 O 0.14706669719537 0.62500000000000 0.51998333413796 15.999 > 53 57 O 0.64706669719537 0.12500000000000 0.23001666586204 15.999 > 57 58 O 0.64706669719537 0.62500000000000 0.23001666586204 15.999 > 57 59 O 0.64706669719537 0.12500000000000 0.73001666586204 15.999 > 57 60 O 0.64706669719537 0.62500000000000 0.73001666586204 15.999 > 57 61 O 0.85293330280463 0.37500000000000 0.48001666586204 15.999 > 61 62 O 0.85293330280463 0.87500000000000 0.48001666586204 15.999 > 61 63 O 0.85293330280463 0.37500000000000 0.98001666586204 15.999 > 61 64 O 0.85293330280463 0.87500000000000 0.98001666586204 15.999 > 61 65 P 0.67692247057095 0.37500000000000 0.49104945636779 30.974 > 65 66 P 0.67692247057095 0.87500000000000 0.49104945636779 30.974 > 65 67 P 0.67692247057095 0.37500000000000 0.99104945636779 30.974 > 65 68 P 0.67692247057095 0.87500000000000 0.99104945636779 30.974 > 65 69 P 0.82307752942905 0.12500000000000 0.24104945636779 30.974 > 69 70 P 0.82307752942905 0.62500000000000 0.24104945636779 30.974 > 69 71 P 0.82307752942905 0.12500000000000 0.74104945636779 30.974 > 69 72 P 0.82307752942905 0.62500000000000 0.74104945636779 30.974 > 69 73 P 0.32307752942905 0.12500000000000 0.00895054363221 30.974 > 73 74 P 0.32307752942905 0.62500000000000 0.00895054363221 30.974 > 73 75 P 0.32307752942905 0.12500000000000 0.50895054363221 30.974 > 73 76 P 0.32307752942905 0.62500000000000 0.50895054363221 30.974 > 73 77 P 0.17692247057095 0.37500000000000 0.25895054363221 30.974 > 77 78 P 0.17692247057095 0.87500000000000 0.25895054363221 30.974 > 77 79 P 0.17692247057095 0.37500000000000 0.75895054363221 30.974 > 77 80 P 0.17692247057095 0.87500000000000 0.75895054363221 30.974 > 77 81 In 0.50000000000000 0.25000000000000 0.25000000000000 114.818 > 81 82 In 0.50000000000000 0.75000000000000 0.25000000000000 114.818 > 81 83 In 0.50000000000000 0.25000000000000 0.75000000000000 114.818 > 81 84 In 0.50000000000000 0.75000000000000 0.75000000000000 114.818 > 81 85 In 0.00000000000000 0.25000000000000 0.00000000000000 114.818 > 85 86 In 0.00000000000000 0.75000000000000 0.00000000000000 114.818 > 85 87 In 0.00000000000000 0.25000000000000 0.50000000000000 114.818 > 85 88 In 0.00000000000000 0.75000000000000 0.50000000000000 114.818 > 85 89 In 0.50000000000000 0.00000000000000 0.25000000000000 114.818 > 89 90 In 0.50000000000000 0.50000000000000 0.25000000000000 114.818 > 89 91 In 0.50000000000000 0.00000000000000 0.75000000000000 114.818 > 89 92 In 0.50000000000000 0.50000000000000 0.75000000000000 114.818 > 89 93 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 93 94 In 0.00000000000000 0.50000000000000 0.00000000000000 114.818 > 93 95 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 93 96 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2178066 0.0000000 0.0000000 0.0000000 3.2589803 0.0000000 0.0000000 0.0000000 3.2318734 -------------------------- Born effective charges -------------------------- 1 O -1.3950070 -0.4345335 -0.3984141 -0.3839409 -1.8377161 -0.5846052 -0.4673233 -0.7059005 -1.7934533 2 O -1.3950070 -0.4345335 0.3984141 -0.3839409 -1.8377161 0.5846052 0.4673233 0.7059005 -1.7934533 3 O -1.3950070 0.4345335 -0.3984141 0.3839409 -1.8377161 0.5846052 -0.4673233 0.7059005 -1.7934533 4 O -1.3950070 0.4345335 0.3984141 0.3839409 -1.8377161 -0.5846052 0.4673233 -0.7059005 -1.7934533 5 O -1.3950070 -0.4345335 -0.3984141 -0.3839409 -1.8377161 -0.5846052 -0.4673233 -0.7059005 -1.7934533 6 O -1.3950070 -0.4345335 0.3984141 -0.3839409 -1.8377161 0.5846052 0.4673233 0.7059005 -1.7934533 7 O -1.3950070 0.4345335 -0.3984141 0.3839409 -1.8377161 0.5846052 -0.4673233 0.7059005 -1.7934533 8 O -1.3950070 0.4345335 0.3984141 0.3839409 -1.8377161 -0.5846052 0.4673233 -0.7059005 -1.7934533 9 O -1.4218917 0.0000000 -0.7963978 0.0000000 -1.5752148 0.0000000 -0.7630317 0.0000000 -2.5942862 10 O -1.4218917 0.0000000 0.7963978 0.0000000 -1.5752148 0.0000000 0.7630317 0.0000000 -2.5942862 11 O -1.4218917 0.0000000 -0.7963978 0.0000000 -1.5752148 0.0000000 -0.7630317 0.0000000 -2.5942862 12 O -1.4218917 0.0000000 0.7963978 0.0000000 -1.5752148 0.0000000 0.7630317 0.0000000 -2.5942862 13 O -3.0278956 0.0000000 -0.1579113 0.0000000 -1.6550547 0.0000000 0.1511166 0.0000000 -1.0201833 14 O -3.0278956 0.0000000 0.1579113 0.0000000 -1.6550547 0.0000000 -0.1511166 0.0000000 -1.0201833 15 O -3.0278956 0.0000000 -0.1579113 0.0000000 -1.6550547 0.0000000 0.1511166 0.0000000 -1.0201833 16 O -3.0278956 0.0000000 0.1579113 0.0000000 -1.6550547 0.0000000 -0.1511166 0.0000000 -1.0201833 17 P 3.9279598 0.0000000 -0.3533895 0.0000000 3.2358027 0.0000000 0.1680146 0.0000000 3.8229893 18 P 3.9279598 0.0000000 0.3533895 0.0000000 3.2358027 0.0000000 -0.1680146 0.0000000 3.8229893 19 P 3.9279598 0.0000000 -0.3533895 0.0000000 3.2358027 0.0000000 0.1680146 0.0000000 3.8229893 20 P 3.9279598 0.0000000 0.3533895 0.0000000 3.2358027 0.0000000 -0.1680146 0.0000000 3.8229893 21 In 3.3118415 -0.2183627 0.2247041 0.1936402 3.6698991 0.1757291 -0.0233481 -0.3338976 3.3783868 22 In 3.3118415 -0.2183627 -0.2247041 0.1936402 3.6698991 -0.1757291 0.0233481 0.3338976 3.3783868 23 In 3.3118415 0.2183627 0.2247041 -0.1936402 3.6698991 -0.1757291 -0.0233481 0.3338976 3.3783868 24 In 3.3118415 0.2183627 -0.2247041 -0.1936402 3.6698991 0.1757291 0.0233481 -0.3338976 3.3783868 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000009 (xxx) 0.00000009 (xxx) 0.00000009 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (xz) -0.00000003 (xz) 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 05:09:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:09:05]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.937808159999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.925140010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.833900630000000 Atomic positions (fractional): 1 O 0.37456093058759 0.43770095102829 0.15322766183784 15.999 2 O 0.12543906941241 0.56229904897171 0.65322766183784 15.999 3 O 0.62543906941241 0.93770095102829 0.84677233816216 15.999 4 O 0.87456093058759 0.06229904897171 0.34677233816216 15.999 5 O 0.62543906941241 0.56229904897171 0.84677233816216 15.999 6 O 0.87456093058759 0.43770095102829 0.34677233816216 15.999 7 O 0.37456093058759 0.06229904897171 0.15322766183784 15.999 8 O 0.12543906941241 0.93770095102829 0.65322766183784 15.999 9 O 0.12173918454782 0.75000000000000 0.21047578740675 15.999 10 O 0.37826081545217 0.25000000000000 0.71047578740675 15.999 11 O 0.87826081545218 0.25000000000000 0.78952421259325 15.999 12 O 0.62173918454782 0.75000000000000 0.28952421259325 15.999 13 O 0.35293330280463 0.75000000000000 0.53996666827591 15.999 14 O 0.14706669719537 0.25000000000000 0.03996666827592 15.999 15 O 0.64706669719537 0.25000000000000 0.46003333172409 15.999 16 O 0.85293330280463 0.75000000000000 0.96003333172409 15.999 17 P 0.67692247057095 0.75000000000000 0.98209891273558 30.974 18 P 0.82307752942905 0.25000000000000 0.48209891273558 30.974 19 P 0.32307752942905 0.25000000000000 0.01790108726442 30.974 20 P 0.17692247057095 0.75000000000000 0.51790108726442 30.974 21 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 22 In 0.00000000000000 0.50000000000000 0.00000000000000 114.818 23 In 0.50000000000000 0.00000000000000 0.50000000000000 114.818 24 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.937808159999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.850280020000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.667801259999999 Atomic positions (fractional): 1 O 0.37456093058759 0.21885047551414 0.07661383091892 15.999 > 1 2 O 0.37456093058759 0.71885047551414 0.07661383091892 15.999 > 1 3 O 0.37456093058759 0.21885047551414 0.57661383091892 15.999 > 1 4 O 0.37456093058759 0.71885047551414 0.57661383091892 15.999 > 1 5 O 0.12543906941241 0.28114952448586 0.32661383091892 15.999 > 5 6 O 0.12543906941241 0.78114952448586 0.32661383091892 15.999 > 5 7 O 0.12543906941241 0.28114952448586 0.82661383091892 15.999 > 5 8 O 0.12543906941241 0.78114952448586 0.82661383091892 15.999 > 5 9 O 0.62543906941241 0.46885047551414 0.42338616908108 15.999 > 9 10 O 0.62543906941241 0.96885047551414 0.42338616908108 15.999 > 9 11 O 0.62543906941241 0.46885047551414 0.92338616908108 15.999 > 9 12 O 0.62543906941241 0.96885047551414 0.92338616908108 15.999 > 9 13 O 0.87456093058759 0.03114952448586 0.17338616908108 15.999 > 13 14 O 0.87456093058759 0.53114952448586 0.17338616908108 15.999 > 13 15 O 0.87456093058759 0.03114952448586 0.67338616908108 15.999 > 13 16 O 0.87456093058759 0.53114952448586 0.67338616908108 15.999 > 13 17 O 0.62543906941241 0.28114952448586 0.42338616908108 15.999 > 17 18 O 0.62543906941241 0.78114952448586 0.42338616908108 15.999 > 17 19 O 0.62543906941241 0.28114952448586 0.92338616908108 15.999 > 17 20 O 0.62543906941241 0.78114952448586 0.92338616908108 15.999 > 17 21 O 0.87456093058759 0.21885047551414 0.17338616908108 15.999 > 21 22 O 0.87456093058759 0.71885047551414 0.17338616908108 15.999 > 21 23 O 0.87456093058759 0.21885047551414 0.67338616908108 15.999 > 21 24 O 0.87456093058759 0.71885047551414 0.67338616908108 15.999 > 21 25 O 0.37456093058759 0.03114952448586 0.07661383091892 15.999 > 25 26 O 0.37456093058759 0.53114952448586 0.07661383091892 15.999 > 25 27 O 0.37456093058759 0.03114952448586 0.57661383091892 15.999 > 25 28 O 0.37456093058759 0.53114952448586 0.57661383091892 15.999 > 25 29 O 0.12543906941241 0.46885047551414 0.32661383091892 15.999 > 29 30 O 0.12543906941241 0.96885047551414 0.32661383091892 15.999 > 29 31 O 0.12543906941241 0.46885047551414 0.82661383091892 15.999 > 29 32 O 0.12543906941241 0.96885047551414 0.82661383091892 15.999 > 29 33 O 0.12173918454782 0.37500000000000 0.10523789370338 15.999 > 33 34 O 0.12173918454782 0.87500000000000 0.10523789370338 15.999 > 33 35 O 0.12173918454782 0.37500000000000 0.60523789370338 15.999 > 33 36 O 0.12173918454782 0.87500000000000 0.60523789370338 15.999 > 33 37 O 0.37826081545217 0.12500000000000 0.35523789370338 15.999 > 37 38 O 0.37826081545217 0.62500000000000 0.35523789370338 15.999 > 37 39 O 0.37826081545217 0.12500000000000 0.85523789370338 15.999 > 37 40 O 0.37826081545217 0.62500000000000 0.85523789370338 15.999 > 37 41 O 0.87826081545218 0.12500000000000 0.39476210629662 15.999 > 41 42 O 0.87826081545218 0.62500000000000 0.39476210629662 15.999 > 41 43 O 0.87826081545218 0.12500000000000 0.89476210629662 15.999 > 41 44 O 0.87826081545218 0.62500000000000 0.89476210629662 15.999 > 41 45 O 0.62173918454782 0.37500000000000 0.14476210629662 15.999 > 45 46 O 0.62173918454782 0.87500000000000 0.14476210629662 15.999 > 45 47 O 0.62173918454782 0.37500000000000 0.64476210629662 15.999 > 45 48 O 0.62173918454782 0.87500000000000 0.64476210629662 15.999 > 45 49 O 0.35293330280463 0.37500000000000 0.26998333413796 15.999 > 49 50 O 0.35293330280463 0.87500000000000 0.26998333413796 15.999 > 49 51 O 0.35293330280463 0.37500000000000 0.76998333413796 15.999 > 49 52 O 0.35293330280463 0.87500000000000 0.76998333413796 15.999 > 49 53 O 0.14706669719537 0.12500000000000 0.01998333413796 15.999 > 53 54 O 0.14706669719537 0.62500000000000 0.01998333413796 15.999 > 53 55 O 0.14706669719537 0.12500000000000 0.51998333413796 15.999 > 53 56 O 0.14706669719537 0.62500000000000 0.51998333413796 15.999 > 53 57 O 0.64706669719537 0.12500000000000 0.23001666586204 15.999 > 57 58 O 0.64706669719537 0.62500000000000 0.23001666586204 15.999 > 57 59 O 0.64706669719537 0.12500000000000 0.73001666586204 15.999 > 57 60 O 0.64706669719537 0.62500000000000 0.73001666586204 15.999 > 57 61 O 0.85293330280463 0.37500000000000 0.48001666586204 15.999 > 61 62 O 0.85293330280463 0.87500000000000 0.48001666586204 15.999 > 61 63 O 0.85293330280463 0.37500000000000 0.98001666586204 15.999 > 61 64 O 0.85293330280463 0.87500000000000 0.98001666586204 15.999 > 61 65 P 0.67692247057095 0.37500000000000 0.49104945636779 30.974 > 65 66 P 0.67692247057095 0.87500000000000 0.49104945636779 30.974 > 65 67 P 0.67692247057095 0.37500000000000 0.99104945636779 30.974 > 65 68 P 0.67692247057095 0.87500000000000 0.99104945636779 30.974 > 65 69 P 0.82307752942905 0.12500000000000 0.24104945636779 30.974 > 69 70 P 0.82307752942905 0.62500000000000 0.24104945636779 30.974 > 69 71 P 0.82307752942905 0.12500000000000 0.74104945636779 30.974 > 69 72 P 0.82307752942905 0.62500000000000 0.74104945636779 30.974 > 69 73 P 0.32307752942905 0.12500000000000 0.00895054363221 30.974 > 73 74 P 0.32307752942905 0.62500000000000 0.00895054363221 30.974 > 73 75 P 0.32307752942905 0.12500000000000 0.50895054363221 30.974 > 73 76 P 0.32307752942905 0.62500000000000 0.50895054363221 30.974 > 73 77 P 0.17692247057095 0.37500000000000 0.25895054363221 30.974 > 77 78 P 0.17692247057095 0.87500000000000 0.25895054363221 30.974 > 77 79 P 0.17692247057095 0.37500000000000 0.75895054363221 30.974 > 77 80 P 0.17692247057095 0.87500000000000 0.75895054363221 30.974 > 77 81 In 0.50000000000000 0.25000000000000 0.25000000000000 114.818 > 81 82 In 0.50000000000000 0.75000000000000 0.25000000000000 114.818 > 81 83 In 0.50000000000000 0.25000000000000 0.75000000000000 114.818 > 81 84 In 0.50000000000000 0.75000000000000 0.75000000000000 114.818 > 81 85 In 0.00000000000000 0.25000000000000 0.00000000000000 114.818 > 85 86 In 0.00000000000000 0.75000000000000 0.00000000000000 114.818 > 85 87 In 0.00000000000000 0.25000000000000 0.50000000000000 114.818 > 85 88 In 0.00000000000000 0.75000000000000 0.50000000000000 114.818 > 85 89 In 0.50000000000000 0.00000000000000 0.25000000000000 114.818 > 89 90 In 0.50000000000000 0.50000000000000 0.25000000000000 114.818 > 89 91 In 0.50000000000000 0.00000000000000 0.75000000000000 114.818 > 89 92 In 0.50000000000000 0.50000000000000 0.75000000000000 114.818 > 89 93 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 93 94 In 0.00000000000000 0.50000000000000 0.00000000000000 114.818 > 93 95 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 93 96 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2178066 0.0000000 0.0000000 0.0000000 3.2589803 0.0000000 0.0000000 0.0000000 3.2318734 -------------------------- Born effective charges -------------------------- 1 O -1.3950070 -0.4345335 -0.3984141 -0.3839409 -1.8377161 -0.5846052 -0.4673233 -0.7059005 -1.7934533 2 O -1.3950070 -0.4345335 0.3984141 -0.3839409 -1.8377161 0.5846052 0.4673233 0.7059005 -1.7934533 3 O -1.3950070 0.4345335 -0.3984141 0.3839409 -1.8377161 0.5846052 -0.4673233 0.7059005 -1.7934533 4 O -1.3950070 0.4345335 0.3984141 0.3839409 -1.8377161 -0.5846052 0.4673233 -0.7059005 -1.7934533 5 O -1.3950070 -0.4345335 -0.3984141 -0.3839409 -1.8377161 -0.5846052 -0.4673233 -0.7059005 -1.7934533 6 O -1.3950070 -0.4345335 0.3984141 -0.3839409 -1.8377161 0.5846052 0.4673233 0.7059005 -1.7934533 7 O -1.3950070 0.4345335 -0.3984141 0.3839409 -1.8377161 0.5846052 -0.4673233 0.7059005 -1.7934533 8 O -1.3950070 0.4345335 0.3984141 0.3839409 -1.8377161 -0.5846052 0.4673233 -0.7059005 -1.7934533 9 O -1.4218917 0.0000000 -0.7963978 0.0000000 -1.5752148 0.0000000 -0.7630317 0.0000000 -2.5942862 10 O -1.4218917 0.0000000 0.7963978 0.0000000 -1.5752148 0.0000000 0.7630317 0.0000000 -2.5942862 11 O -1.4218917 0.0000000 -0.7963978 0.0000000 -1.5752148 0.0000000 -0.7630317 0.0000000 -2.5942862 12 O -1.4218917 0.0000000 0.7963978 0.0000000 -1.5752148 0.0000000 0.7630317 0.0000000 -2.5942862 13 O -3.0278956 0.0000000 -0.1579113 0.0000000 -1.6550547 0.0000000 0.1511166 0.0000000 -1.0201833 14 O -3.0278956 0.0000000 0.1579113 0.0000000 -1.6550547 0.0000000 -0.1511166 0.0000000 -1.0201833 15 O -3.0278956 0.0000000 -0.1579113 0.0000000 -1.6550547 0.0000000 0.1511166 0.0000000 -1.0201833 16 O -3.0278956 0.0000000 0.1579113 0.0000000 -1.6550547 0.0000000 -0.1511166 0.0000000 -1.0201833 17 P 3.9279598 0.0000000 -0.3533895 0.0000000 3.2358027 0.0000000 0.1680146 0.0000000 3.8229893 18 P 3.9279598 0.0000000 0.3533895 0.0000000 3.2358027 0.0000000 -0.1680146 0.0000000 3.8229893 19 P 3.9279598 0.0000000 -0.3533895 0.0000000 3.2358027 0.0000000 0.1680146 0.0000000 3.8229893 20 P 3.9279598 0.0000000 0.3533895 0.0000000 3.2358027 0.0000000 -0.1680146 0.0000000 3.8229893 21 In 3.3118415 -0.2183627 0.2247041 0.1936402 3.6698991 0.1757291 -0.0233481 -0.3338976 3.3783868 22 In 3.3118415 -0.2183627 -0.2247041 0.1936402 3.6698991 -0.1757291 0.0233481 0.3338976 3.3783868 23 In 3.3118415 0.2183627 0.2247041 -0.1936402 3.6698991 -0.1757291 -0.0233481 0.3338976 3.3783868 24 In 3.3118415 0.2183627 -0.2247041 -0.1936402 3.6698991 0.1757291 0.0233481 -0.3338976 3.3783868 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000009 (xxx) 0.00000009 (xxx) 0.00000009 (xxx) Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) --------------------------- 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 ... [ 6 7 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.62, Number of G-points: 297, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.758 ( 0.000 0.000 0.000) 0.000 1.940 ( 0.000 0.000 0.000) 0.000 1.997 ( 0.000 0.000 0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 3.423 ( 0.000 0.000 0.000) 0.000 3.490 ( 0.000 0.000 0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 0.000) 0.000 4.058 ( 0.000 0.000 0.000) 0.000 4.507 ( 0.000 0.000 0.000) 0.000 4.869 ( 0.000 0.000 0.000) 0.000 4.898 ( 0.000 0.000 0.000) 0.000 5.004 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.099 ( 0.000 0.000 0.000) 0.000 5.690 ( 0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.436 ( 0.000 0.000 0.000) 0.000 6.492 ( 0.000 0.000 0.000) 0.000 6.620 ( 0.000 0.000 0.000) 0.000 6.888 ( 0.000 0.000 0.000) 0.000 6.938 ( 0.000 0.000 0.000) 0.000 7.238 ( 0.000 0.000 0.000) 0.000 7.311 ( 0.000 0.000 0.000) 0.000 7.377 ( 0.000 0.000 0.000) 0.000 7.630 ( 0.000 0.000 0.000) 0.000 8.700 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 0.000 0.000) 0.000 9.578 ( 0.000 0.000 0.000) 0.000 9.592 ( 0.000 0.000 0.000) 0.000 10.895 ( 0.000 0.000 0.000) 0.000 11.196 ( 0.000 0.000 0.000) 0.000 11.235 ( 0.000 0.000 0.000) 0.000 11.774 ( 0.000 0.000 0.000) 0.000 12.671 ( 0.000 0.000 0.000) 0.000 13.036 ( 0.000 0.000 0.000) 0.000 13.161 ( 0.000 0.000 0.000) 0.000 14.000 ( 0.000 0.000 0.000) 0.000 14.182 ( 0.000 0.000 0.000) 0.000 14.279 ( 0.000 0.000 0.000) 0.000 14.403 ( 0.000 0.000 0.000) 0.000 14.992 ( 0.000 0.000 0.000) 0.000 15.187 ( 0.000 0.000 0.000) 0.000 15.189 ( 0.000 0.000 0.000) 0.000 15.227 ( 0.000 0.000 0.000) 0.000 15.386 ( 0.000 0.000 0.000) 0.000 15.484 ( 0.000 0.000 0.000) 0.000 15.836 ( 0.000 0.000 0.000) 0.000 15.957 ( 0.000 0.000 0.000) 0.000 18.570 ( 0.000 0.000 0.000) 0.000 18.798 ( 0.000 0.000 0.000) 0.000 19.290 ( 0.000 0.000 0.000) 0.000 19.384 ( 0.000 0.000 0.000) 0.000 26.682 ( 0.000 0.000 0.000) 0.000 26.941 ( 0.000 0.000 0.000) 0.000 27.005 ( 0.000 0.000 0.000) 0.000 27.160 ( 0.000 0.000 0.000) 0.000 27.535 ( 0.000 0.000 0.000) 0.000 27.616 ( 0.000 0.000 0.000) 0.000 28.719 ( 0.000 0.000 0.000) 0.000 29.296 ( 0.000 0.000 0.000) 0.000 29.934 ( 0.000 0.000 0.000) 0.000 30.535 ( 0.000 0.000 0.000) 0.000 31.059 ( 0.000 0.000 0.000) 0.000 32.408 ( 0.000 0.000 0.000) 0.000 32.542 ( 0.000 0.000 0.000) 0.000 32.824 ( 0.000 0.000 0.000) 0.000 32.908 ( 0.000 0.000 0.000) 0.000 33.394 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 28.863 0.000 0.000) 28.863 0.688 ( 35.402 0.000 0.000) 35.402 1.286 ( 67.779 0.000 0.000) 67.779 1.742 ( -4.368 0.000 0.000) 4.368 1.926 ( -1.996 0.000 0.000) 1.996 2.040 ( 4.684 0.000 0.000) 4.684 2.477 ( 10.137 0.000 0.000) 10.137 3.478 ( -1.010 0.000 0.000) 1.010 3.524 ( 10.407 0.000 0.000) 10.407 3.717 ( -2.036 0.000 0.000) 2.036 3.889 ( 2.762 0.000 0.000) 2.762 4.515 ( 0.685 0.000 0.000) 0.685 4.808 ( -7.006 0.000 0.000) 7.006 4.889 ( -3.502 0.000 0.000) 3.502 4.906 ( 3.290 0.000 0.000) 3.290 4.958 ( -4.653 0.000 0.000) 4.653 4.993 ( -5.777 0.000 0.000) 5.777 5.125 ( 2.417 0.000 0.000) 2.417 5.629 ( -2.949 0.000 0.000) 2.949 6.151 ( -9.153 0.000 0.000) 9.153 6.294 ( -12.625 0.000 0.000) 12.625 6.424 ( -12.291 0.000 0.000) 12.291 6.662 ( 10.246 0.000 0.000) 10.246 6.762 ( -20.981 0.000 0.000) 20.981 6.819 ( -17.393 0.000 0.000) 17.393 7.497 ( 10.687 0.000 0.000) 10.687 7.562 ( -3.251 0.000 0.000) 3.251 7.682 ( 23.799 0.000 0.000) 23.799 7.735 ( 8.760 0.000 0.000) 8.760 8.745 ( 3.107 0.000 0.000) 3.107 9.576 ( -1.144 0.000 0.000) 1.144 9.675 ( 10.466 0.000 0.000) 10.466 9.770 ( -1.377 0.000 0.000) 1.377 10.913 ( 1.914 0.000 0.000) 1.914 11.080 ( -11.388 0.000 0.000) 11.388 11.216 ( -2.728 0.000 0.000) 2.728 11.833 ( 6.119 0.000 0.000) 6.119 12.593 ( -7.571 0.000 0.000) 7.571 13.073 ( 3.374 0.000 0.000) 3.374 13.318 ( -1.761 0.000 0.000) 1.761 14.017 ( 1.845 0.000 0.000) 1.845 14.205 ( 2.290 0.000 0.000) 2.290 14.260 ( -1.973 0.000 0.000) 1.973 14.394 ( -1.024 0.000 0.000) 1.024 15.006 ( 1.482 0.000 0.000) 1.482 15.180 ( -1.018 0.000 0.000) 1.018 15.187 ( 0.007 0.000 0.000) 0.007 15.270 ( -2.935 0.000 0.000) 2.935 15.461 ( 6.061 0.000 0.000) 6.061 15.761 ( -0.208 0.000 0.000) 0.208 15.826 ( -1.040 0.000 0.000) 1.040 15.929 ( -3.017 0.000 0.000) 3.017 18.580 ( 1.081 0.000 0.000) 1.081 18.775 ( -2.363 0.000 0.000) 2.363 19.305 ( 1.459 0.000 0.000) 1.459 19.383 ( -0.095 0.000 0.000) 0.095 26.698 ( 1.575 0.000 0.000) 1.575 26.874 ( -4.041 0.000 0.000) 4.041 27.096 ( 6.558 0.000 0.000) 6.558 27.504 ( -2.673 0.000 0.000) 2.673 27.698 ( 8.142 0.000 0.000) 8.142 28.649 ( -7.330 0.000 0.000) 7.330 29.307 ( 1.176 0.000 0.000) 1.176 29.574 ( -5.095 0.000 0.000) 5.095 30.010 ( 6.765 0.000 0.000) 6.765 30.505 ( -3.148 0.000 0.000) 3.148 32.424 ( 1.732 0.000 0.000) 1.732 32.555 ( 1.400 0.000 0.000) 1.400 32.722 ( -1.318 0.000 0.000) 1.318 32.743 ( -5.685 0.000 0.000) 5.685 32.992 ( 6.056 0.000 0.000) 6.056 33.372 ( -2.366 0.000 0.000) 2.366 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 21.897 0.000 0.000) 21.897 1.283 ( 27.190 0.000 0.000) 27.190 1.616 ( -9.185 0.000 0.000) 9.185 1.852 ( -6.278 0.000 0.000) 6.278 2.181 ( 10.801 0.000 0.000) 10.801 2.502 ( 61.574 0.000 0.000) 61.574 2.600 ( -0.874 0.000 0.000) 0.874 3.488 ( 3.204 0.000 0.000) 3.204 3.662 ( -3.754 0.000 0.000) 3.754 3.755 ( 10.528 0.000 0.000) 10.528 4.012 ( 11.453 0.000 0.000) 11.453 4.506 ( -3.456 0.000 0.000) 3.456 4.604 ( -24.482 0.000 0.000) 24.482 4.626 ( -12.207 0.000 0.000) 12.207 4.839 ( -9.029 0.000 0.000) 9.029 4.852 ( -5.886 0.000 0.000) 5.886 5.021 ( 7.725 0.000 0.000) 7.725 5.169 ( 1.603 0.000 0.000) 1.603 5.722 ( 13.321 0.000 0.000) 13.321 5.998 ( -5.908 0.000 0.000) 5.908 6.065 ( -10.016 0.000 0.000) 10.016 6.178 ( -10.611 0.000 0.000) 10.611 6.346 ( -20.259 0.000 0.000) 20.259 6.474 ( -20.514 0.000 0.000) 20.514 6.917 ( 15.460 0.000 0.000) 15.460 7.439 ( -9.927 0.000 0.000) 9.927 7.704 ( 10.234 0.000 0.000) 10.234 7.863 ( 3.480 0.000 0.000) 3.480 8.122 ( 22.822 0.000 0.000) 22.822 8.732 ( -6.152 0.000 0.000) 6.152 9.581 ( 2.280 0.000 0.000) 2.280 9.727 ( -3.231 0.000 0.000) 3.231 9.964 ( 19.912 0.000 0.000) 19.912 10.787 ( -19.568 0.000 0.000) 19.568 10.966 ( 3.698 0.000 0.000) 3.698 11.142 ( -4.864 0.000 0.000) 4.864 11.990 ( 10.281 0.000 0.000) 10.281 12.416 ( -10.949 0.000 0.000) 10.949 13.142 ( 3.785 0.000 0.000) 3.785 13.273 ( -2.974 0.000 0.000) 2.974 14.067 ( 3.393 0.000 0.000) 3.393 14.209 ( -3.444 0.000 0.000) 3.444 14.258 ( 3.234 0.000 0.000) 3.234 14.365 ( -2.065 0.000 0.000) 2.065 15.046 ( 2.656 0.000 0.000) 2.656 15.151 ( -2.153 0.000 0.000) 2.153 15.188 ( 0.206 0.000 0.000) 0.206 15.223 ( -2.025 0.000 0.000) 2.025 15.589 ( 7.377 0.000 0.000) 7.377 15.761 ( 0.337 0.000 0.000) 0.337 15.801 ( -1.494 0.000 0.000) 1.494 15.848 ( -5.574 0.000 0.000) 5.574 18.611 ( 2.146 0.000 0.000) 2.146 18.720 ( -3.302 0.000 0.000) 3.302 19.337 ( 1.709 0.000 0.000) 1.709 19.379 ( -0.471 0.000 0.000) 0.471 26.732 ( 1.891 0.000 0.000) 1.891 26.811 ( -2.778 0.000 0.000) 2.778 27.223 ( 6.797 0.000 0.000) 6.797 27.439 ( -4.342 0.000 0.000) 4.342 27.905 ( 13.679 0.000 0.000) 13.679 28.456 ( -12.980 0.000 0.000) 12.980 29.340 ( 2.322 0.000 0.000) 2.322 29.477 ( -4.982 0.000 0.000) 4.982 30.152 ( 8.018 0.000 0.000) 8.018 30.421 ( -5.705 0.000 0.000) 5.705 32.472 ( 3.287 0.000 0.000) 3.287 32.591 ( 2.373 0.000 0.000) 2.373 32.638 ( -5.382 0.000 0.000) 5.382 32.687 ( -2.296 0.000 0.000) 2.296 33.107 ( 6.115 0.000 0.000) 6.115 33.309 ( -4.284 0.000 0.000) 4.284 ======================= Grid point 3 (4/96) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -14.891 0.000 0.000) 14.891 1.393 ( 14.891 0.000 0.000) 14.891 1.669 ( -14.312 0.000 0.000) 14.312 1.669 ( 14.312 0.000 0.000) 14.312 2.431 ( -14.300 0.000 0.000) 14.300 2.431 ( 14.300 0.000 0.000) 14.300 3.512 ( -42.128 0.000 0.000) 42.128 3.512 ( 42.128 0.000 0.000) 42.128 3.578 ( -5.202 0.000 0.000) 5.202 3.578 ( 5.202 0.000 0.000) 5.202 4.301 ( -17.013 0.000 0.000) 17.013 4.301 ( 17.013 0.000 0.000) 17.013 4.397 ( -8.481 0.000 0.000) 8.481 4.397 ( 8.481 0.000 0.000) 8.481 4.770 ( -1.898 0.000 0.000) 1.898 4.770 ( 1.898 0.000 0.000) 1.898 5.149 ( -4.513 0.000 0.000) 4.513 5.149 ( 4.513 0.000 0.000) 4.513 5.955 ( -1.600 0.000 0.000) 1.600 5.955 ( 1.600 0.000 0.000) 1.600 6.043 ( -17.089 0.000 0.000) 17.089 6.043 ( 17.089 0.000 0.000) 17.089 6.128 ( -8.904 0.000 0.000) 8.904 6.128 ( 8.904 0.000 0.000) 8.904 7.204 ( -14.659 0.000 0.000) 14.659 7.204 ( 14.659 0.000 0.000) 14.659 7.849 ( -4.741 0.000 0.000) 4.741 7.849 ( 4.741 0.000 0.000) 4.741 8.506 ( -17.348 0.000 0.000) 17.348 8.506 ( 17.348 0.000 0.000) 17.348 9.652 ( -4.562 0.000 0.000) 4.562 9.652 ( 4.562 0.000 0.000) 4.562 10.378 ( -23.238 0.000 0.000) 23.238 10.378 ( 23.238 0.000 0.000) 23.238 11.048 ( -4.933 0.000 0.000) 4.933 11.048 ( 4.933 0.000 0.000) 4.933 12.200 ( -11.810 0.000 0.000) 11.810 12.200 ( 11.810 0.000 0.000) 11.810 13.211 ( -3.555 0.000 0.000) 3.555 13.211 ( 3.555 0.000 0.000) 3.555 14.138 ( -3.994 0.000 0.000) 3.994 14.138 ( 3.994 0.000 0.000) 3.994 14.317 ( -2.953 0.000 0.000) 2.953 14.317 ( 2.953 0.000 0.000) 2.953 15.100 ( -3.040 0.000 0.000) 3.040 15.100 ( 3.040 0.000 0.000) 3.040 15.197 ( -0.815 0.000 0.000) 0.815 15.197 ( 0.815 0.000 0.000) 0.815 15.727 ( -7.165 0.000 0.000) 7.165 15.727 ( 7.165 0.000 0.000) 7.165 15.776 ( -1.162 0.000 0.000) 1.162 15.776 ( 1.162 0.000 0.000) 1.162 18.659 ( -3.023 0.000 0.000) 3.023 18.659 ( 3.023 0.000 0.000) 3.023 19.364 ( -1.139 0.000 0.000) 1.139 19.364 ( 1.139 0.000 0.000) 1.139 26.768 ( -1.994 0.000 0.000) 1.994 26.768 ( 1.994 0.000 0.000) 1.994 27.343 ( -5.913 0.000 0.000) 5.913 27.343 ( 5.913 0.000 0.000) 5.913 28.184 ( -15.489 0.000 0.000) 15.489 28.184 ( 15.489 0.000 0.000) 15.489 29.395 ( -3.666 0.000 0.000) 3.666 29.395 ( 3.666 0.000 0.000) 3.666 30.297 ( -7.390 0.000 0.000) 7.390 30.297 ( 7.390 0.000 0.000) 7.390 32.545 ( -4.530 0.000 0.000) 4.530 32.545 ( 4.530 0.000 0.000) 4.530 32.640 ( -2.685 0.000 0.000) 2.685 32.640 ( 2.685 0.000 0.000) 2.685 33.216 ( -5.526 0.000 0.000) 5.526 33.216 ( 5.526 0.000 0.000) 5.526 ======================= Grid point 7 (5/96) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 0.000 34.302 0.000) 34.302 0.739 ( 0.000 35.463 0.000) 35.463 1.207 ( 0.000 56.918 0.000) 56.918 1.849 ( 0.000 8.392 0.000) 8.392 2.117 ( 0.000 15.743 0.000) 15.743 2.119 ( 0.000 4.629 0.000) 4.629 2.588 ( 0.000 20.428 0.000) 20.428 3.349 ( 0.000 -4.456 0.000) 4.456 3.452 ( 0.000 -3.895 0.000) 3.895 3.899 ( 0.000 -16.659 0.000) 16.659 3.983 ( 0.000 8.163 0.000) 8.163 4.003 ( 0.000 -4.722 0.000) 4.722 4.537 ( 0.000 2.139 0.000) 2.139 4.717 ( 0.000 -12.691 0.000) 12.691 4.842 ( 0.000 -5.134 0.000) 5.134 4.950 ( 0.000 -5.953 0.000) 5.953 5.012 ( 0.000 -9.228 0.000) 9.228 5.571 ( 0.000 -11.888 0.000) 11.888 6.062 ( 0.000 -2.585 0.000) 2.585 6.096 ( 0.000 -6.817 0.000) 6.817 6.475 ( 0.000 -11.312 0.000) 11.312 6.536 ( 0.000 0.578 0.000) 0.578 6.743 ( 0.000 -13.659 0.000) 13.659 6.791 ( 0.000 19.496 0.000) 19.496 6.971 ( 0.000 2.158 0.000) 2.158 7.223 ( 0.000 -4.299 0.000) 4.299 7.433 ( 0.000 1.202 0.000) 1.202 7.468 ( 0.000 18.501 0.000) 18.501 7.713 ( 0.000 5.896 0.000) 5.896 8.722 ( 0.000 2.135 0.000) 2.135 8.735 ( 0.000 -2.551 0.000) 2.551 9.376 ( 0.000 -9.409 0.000) 9.409 9.831 ( 0.000 12.920 0.000) 12.920 10.882 ( 0.000 -1.499 0.000) 1.499 11.268 ( 0.000 3.035 0.000) 3.035 11.718 ( 0.000 -4.305 0.000) 4.305 12.137 ( 0.000 7.267 0.000) 7.267 12.661 ( 0.000 -0.761 0.000) 0.761 12.998 ( 0.000 -3.541 0.000) 3.541 13.109 ( 0.000 -4.967 0.000) 4.967 14.010 ( 0.000 0.955 0.000) 0.955 14.217 ( 0.000 -1.192 0.000) 1.192 14.279 ( 0.000 -0.005 0.000) 0.005 14.387 ( 0.000 -1.435 0.000) 1.435 15.011 ( 0.000 1.704 0.000) 1.704 15.195 ( 0.000 0.522 0.000) 0.522 15.203 ( 0.000 1.216 0.000) 1.216 15.228 ( 0.000 0.086 0.000) 0.086 15.386 ( 0.000 0.023 0.000) 0.023 15.474 ( 0.000 -0.878 0.000) 0.878 15.837 ( 0.000 -0.007 0.000) 0.007 15.892 ( 0.000 -5.345 0.000) 5.345 18.653 ( 0.000 7.312 0.000) 7.312 19.325 ( 0.000 3.290 0.000) 3.290 19.362 ( 0.000 -2.164 0.000) 2.164 19.899 ( 0.000 -2.798 0.000) 2.798 26.704 ( 0.000 2.147 0.000) 2.147 26.945 ( 0.000 0.301 0.000) 0.301 27.002 ( 0.000 -0.321 0.000) 0.321 27.135 ( 0.000 -2.311 0.000) 2.311 27.541 ( 0.000 0.507 0.000) 0.507 27.612 ( 0.000 -0.327 0.000) 0.327 28.756 ( 0.000 3.753 0.000) 3.753 29.297 ( 0.000 -0.059 0.000) 0.059 29.969 ( 0.000 3.356 0.000) 3.356 30.535 ( 0.000 0.179 0.000) 0.179 30.966 ( 0.000 -8.472 0.000) 8.472 32.079 ( 0.000 -29.630 0.000) 29.630 32.976 ( 0.000 6.302 0.000) 6.302 33.134 ( 0.000 15.395 0.000) 15.395 33.490 ( 0.000 8.751 0.000) 8.751 34.577 ( 0.000 -4.027 0.000) 4.027 ======================= Grid point 8 (6/96) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 21.319 20.330 0.000) 29.458 0.897 ( 16.665 25.505 0.000) 30.467 1.755 ( 39.082 32.817 0.000) 51.033 1.797 ( -4.767 7.196 0.000) 8.632 2.099 ( -2.069 15.169 0.000) 15.309 2.180 ( 10.611 11.873 0.000) 15.924 2.615 ( 1.693 12.417 0.000) 12.532 3.436 ( 0.274 -3.994 0.000) 4.003 3.483 ( 11.362 -1.535 0.000) 11.465 3.711 ( -6.777 -5.611 0.000) 8.799 4.002 ( 2.517 7.884 0.000) 8.276 4.277 ( 10.005 -19.455 0.000) 21.877 4.582 ( 3.382 0.626 0.000) 3.440 4.666 ( -4.838 -16.984 0.000) 17.660 4.834 ( -3.516 -5.242 0.000) 6.312 4.983 ( 3.530 -1.609 0.000) 3.880 5.012 ( -1.183 -9.709 0.000) 9.781 5.532 ( 0.523 -8.353 0.000) 8.369 5.545 ( -30.105 19.664 0.000) 35.958 6.145 ( 2.060 -0.427 0.000) 2.104 6.334 ( -10.258 5.861 0.000) 11.814 6.376 ( -8.941 -5.295 0.000) 10.391 6.813 ( 2.634 13.615 0.000) 13.868 6.826 ( -14.437 1.347 0.000) 14.499 6.836 ( -13.735 -1.833 0.000) 13.857 7.248 ( 6.842 -15.078 0.000) 16.557 7.420 ( 6.864 -6.599 0.000) 9.522 7.755 ( 4.313 1.423 0.000) 4.542 7.806 ( 18.909 9.412 0.000) 21.122 8.748 ( 1.505 0.487 0.000) 1.582 9.175 ( 27.909 -23.336 0.000) 36.379 9.393 ( 1.644 -10.186 0.000) 10.318 9.889 ( 6.834 13.096 0.000) 14.772 10.901 ( 2.014 -1.416 0.000) 2.462 11.169 ( -11.185 3.059 0.000) 11.595 11.504 ( -20.720 6.048 0.000) 21.584 11.980 ( -0.975 13.560 0.000) 13.595 12.591 ( -6.832 -0.047 0.000) 6.832 13.031 ( 2.976 -3.952 0.000) 4.947 13.182 ( 2.575 -9.219 0.000) 9.572 14.042 ( 2.629 1.635 0.000) 3.096 14.211 ( 0.886 0.013 0.000) 0.887 14.261 ( -1.831 0.116 0.000) 1.835 14.380 ( -0.781 -1.239 0.000) 1.465 15.023 ( 1.320 1.562 0.000) 2.045 15.179 ( -0.956 -0.116 0.000) 0.963 15.203 ( -0.035 1.195 0.000) 1.196 15.260 ( -1.097 -1.141 0.000) 1.583 15.362 ( 3.872 -4.582 0.000) 5.999 15.604 ( 6.558 -4.872 0.000) 8.170 15.818 ( -2.131 -1.308 0.000) 2.500 15.863 ( -2.877 -4.756 0.000) 5.558 18.670 ( 1.852 7.857 0.000) 8.072 19.317 ( -9.008 9.633 0.000) 13.189 19.363 ( 0.167 -1.929 0.000) 1.936 19.371 ( -20.007 18.316 0.000) 27.125 26.724 ( 1.934 2.512 0.000) 3.170 26.886 ( -3.451 1.116 0.000) 3.627 27.085 ( 6.079 -1.035 0.000) 6.166 27.470 ( -1.870 -3.967 0.000) 4.386 27.697 ( 8.582 -0.066 0.000) 8.582 28.410 ( 67.515 -56.759 0.000) 88.204 28.686 ( -7.425 3.688 0.000) 8.291 29.300 ( 0.240 -0.839 0.000) 0.873 30.007 ( 4.455 2.667 0.000) 5.192 30.505 ( -3.116 0.218 0.000) 3.124 31.138 ( 16.671 -24.075 0.000) 29.284 32.046 ( -3.571 -30.794 0.000) 31.000 32.986 ( 1.326 8.571 0.000) 8.673 33.173 ( 3.929 14.244 0.000) 14.776 33.453 ( -4.056 8.598 0.000) 9.506 34.112 ( -33.661 25.454 0.000) 42.201 ======================= Grid point 9 (7/96) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 16.558 15.594 0.000) 22.745 1.368 ( 28.629 6.936 0.000) 29.458 1.685 ( -6.762 8.473 0.000) 10.840 2.031 ( -5.757 15.512 0.000) 16.546 2.146 ( 9.683 1.983 0.000) 9.884 2.577 ( -7.570 -1.306 0.000) 7.682 2.788 ( 44.548 19.395 0.000) 48.587 3.432 ( 0.879 -5.695 0.000) 5.763 3.613 ( -4.346 -6.053 0.000) 7.452 3.726 ( 8.883 -2.595 0.000) 9.254 4.115 ( 10.843 7.624 0.000) 13.256 4.382 ( 3.131 -16.089 0.000) 16.391 4.536 ( -9.089 -14.897 0.000) 17.450 4.588 ( -3.965 4.687 0.000) 6.139 4.692 ( -8.814 -0.583 0.000) 8.833 4.870 ( -15.804 -4.024 0.000) 16.308 5.072 ( 5.541 2.029 0.000) 5.901 5.193 ( -6.632 7.946 0.000) 10.350 5.695 ( 16.026 -2.377 0.000) 16.202 6.106 ( -5.015 7.565 0.000) 9.076 6.183 ( -5.572 9.275 0.000) 10.820 6.216 ( -5.779 3.442 0.000) 6.726 6.449 ( -21.939 7.085 0.000) 23.054 6.492 ( -20.662 2.458 0.000) 20.807 6.934 ( 10.267 2.032 0.000) 10.467 7.315 ( -4.575 -12.204 0.000) 13.034 7.586 ( 12.339 -9.231 0.000) 15.410 7.826 ( 1.590 -3.618 0.000) 3.952 8.158 ( 18.767 4.054 0.000) 19.199 8.711 ( -6.893 -1.583 0.000) 7.073 9.445 ( 4.319 -10.477 0.000) 11.332 9.498 ( 7.730 -17.079 0.000) 18.747 10.099 ( 15.417 10.466 0.000) 18.634 10.847 ( -21.303 4.488 0.000) 21.771 10.958 ( 4.123 -1.040 0.000) 4.252 11.211 ( -10.631 3.877 0.000) 11.316 12.067 ( 8.001 7.305 0.000) 10.834 12.432 ( -9.756 1.665 0.000) 9.897 13.091 ( 3.181 -4.838 0.000) 5.789 13.186 ( -1.400 -7.616 0.000) 7.743 14.094 ( 2.912 2.228 0.000) 3.667 14.214 ( -3.076 0.545 0.000) 3.124 14.256 ( 3.238 -0.284 0.000) 3.251 14.357 ( -1.725 -0.751 0.000) 1.881 15.058 ( 2.372 1.160 0.000) 2.641 15.153 ( -1.949 0.088 0.000) 1.951 15.203 ( 0.066 1.083 0.000) 1.085 15.226 ( -1.568 0.147 0.000) 1.575 15.479 ( 7.381 -8.347 0.000) 11.142 15.688 ( 3.292 -3.866 0.000) 5.078 15.748 ( -5.598 -6.314 0.000) 8.439 15.802 ( -3.203 -1.688 0.000) 3.620 18.723 ( 3.928 9.601 0.000) 10.374 18.988 ( -12.241 19.022 0.000) 22.621 19.352 ( 0.773 1.437 0.000) 1.632 19.366 ( 0.046 -1.231 0.000) 1.232 26.763 ( 2.024 3.019 0.000) 3.634 26.833 ( -2.263 2.123 0.000) 3.103 27.204 ( 6.421 -1.807 0.000) 6.671 27.411 ( -4.176 -2.838 0.000) 5.049 27.915 ( 14.386 1.006 0.000) 14.421 28.489 ( -13.336 3.306 0.000) 13.739 29.125 ( 16.789 -29.778 0.000) 34.185 29.302 ( -0.211 -3.677 0.000) 3.683 30.135 ( 8.522 0.288 0.000) 8.527 30.422 ( -5.801 0.234 0.000) 5.806 31.481 ( 17.682 -39.016 0.000) 42.836 31.943 ( -7.519 -33.966 0.000) 34.788 33.038 ( 4.542 12.129 0.000) 12.952 33.270 ( 6.204 14.029 0.000) 15.340 33.334 ( -8.734 10.829 0.000) 13.912 33.628 ( -17.474 27.904 0.000) 32.924 ======================= Grid point 10 (8/96) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -11.239 9.048 0.000) 14.429 1.485 ( 11.239 9.048 0.000) 14.429 1.840 ( -16.325 14.646 0.000) 21.932 1.840 ( 16.325 14.646 0.000) 21.932 2.354 ( -13.460 -5.373 0.000) 14.492 2.354 ( 13.460 -5.373 0.000) 14.492 3.429 ( -10.212 -7.142 0.000) 12.462 3.429 ( 10.212 -7.142 0.000) 12.462 3.618 ( -13.941 0.470 0.000) 13.949 3.618 ( 13.941 0.470 0.000) 13.949 4.384 ( -11.809 0.919 0.000) 11.845 4.384 ( 11.809 0.919 0.000) 11.845 4.435 ( -2.782 -0.809 0.000) 2.897 4.435 ( 2.782 -0.809 0.000) 2.897 4.627 ( -4.301 0.148 0.000) 4.304 4.627 ( 4.301 0.148 0.000) 4.304 5.147 ( -1.856 0.955 0.000) 2.088 5.147 ( 1.856 0.955 0.000) 2.088 6.049 ( -17.938 1.314 0.000) 17.986 6.049 ( 17.938 1.314 0.000) 17.986 6.121 ( -9.507 9.658 0.000) 13.552 6.121 ( 9.507 9.658 0.000) 13.552 6.180 ( -4.054 6.690 0.000) 7.822 6.180 ( 4.054 6.690 0.000) 7.822 7.150 ( -11.526 -5.180 0.000) 12.637 7.150 ( 11.526 -5.180 0.000) 12.637 7.778 ( -6.855 -6.819 0.000) 9.669 7.778 ( 6.855 -6.819 0.000) 9.669 8.489 ( -15.921 -0.669 0.000) 15.935 8.489 ( 15.921 -0.669 0.000) 15.935 9.527 ( -2.968 -11.028 0.000) 11.420 9.527 ( 2.968 -11.028 0.000) 11.420 10.444 ( -20.902 5.958 0.000) 21.734 10.444 ( 20.902 5.958 0.000) 21.734 11.057 ( -6.551 0.259 0.000) 6.556 11.057 ( 6.551 0.259 0.000) 6.556 12.242 ( -10.201 4.069 0.000) 10.983 12.242 ( 10.201 4.069 0.000) 10.983 13.146 ( -2.663 -6.036 0.000) 6.597 13.146 ( 2.663 -6.036 0.000) 6.597 14.152 ( -3.356 1.376 0.000) 3.627 14.152 ( 3.356 1.376 0.000) 3.627 14.314 ( -2.815 -0.321 0.000) 2.833 14.314 ( 2.815 -0.321 0.000) 2.833 15.107 ( -2.742 0.601 0.000) 2.807 15.107 ( 2.742 0.601 0.000) 2.807 15.208 ( -0.498 0.762 0.000) 0.911 15.208 ( 0.498 0.762 0.000) 0.911 15.621 ( -7.570 -8.455 0.000) 11.349 15.621 ( 7.570 -8.455 0.000) 11.349 15.745 ( -2.979 -2.029 0.000) 3.604 15.745 ( 2.979 -2.029 0.000) 3.604 18.820 ( -6.672 12.971 0.000) 14.587 18.820 ( 6.672 12.971 0.000) 14.587 19.363 ( -0.381 -0.086 0.000) 0.390 19.363 ( 0.381 -0.086 0.000) 0.390 26.797 ( -1.726 2.860 0.000) 3.341 26.797 ( 1.726 2.860 0.000) 3.341 27.318 ( -5.659 -2.390 0.000) 6.143 27.318 ( 5.659 -2.390 0.000) 6.143 28.208 ( -16.153 2.352 0.000) 16.323 28.208 ( 16.153 2.352 0.000) 16.323 29.278 ( -3.047 -10.890 0.000) 11.308 29.278 ( 3.047 -10.890 0.000) 11.308 30.293 ( -7.902 0.029 0.000) 7.902 30.293 ( 7.902 0.029 0.000) 7.902 31.761 ( -12.263 -38.172 0.000) 40.093 31.761 ( 12.263 -38.172 0.000) 40.093 33.161 ( -8.522 14.204 0.000) 16.564 33.161 ( 8.522 14.204 0.000) 16.564 33.404 ( -8.549 17.679 0.000) 19.638 33.404 ( 8.549 17.679 0.000) 19.638 ======================= Grid point 14 (9/96) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 0.000 33.014 0.000) 33.014 1.451 ( 0.000 32.975 0.000) 32.975 2.077 ( 0.000 13.017 0.000) 13.017 2.153 ( 0.000 13.954 0.000) 13.954 2.398 ( 0.000 41.254 0.000) 41.254 2.487 ( 0.000 16.196 0.000) 16.196 3.119 ( 0.000 26.296 0.000) 26.296 3.310 ( 0.000 1.177 0.000) 1.177 3.346 ( 0.000 -2.134 0.000) 2.134 3.462 ( 0.000 -24.605 0.000) 24.605 3.891 ( 0.000 -5.757 0.000) 5.757 4.105 ( 0.000 1.918 0.000) 1.918 4.407 ( 0.000 -16.004 0.000) 16.004 4.553 ( 0.000 -1.580 0.000) 1.580 4.712 ( 0.000 -6.396 0.000) 6.396 4.736 ( 0.000 -15.591 0.000) 15.591 4.799 ( 0.000 -7.086 0.000) 7.086 5.192 ( 0.000 -24.297 0.000) 24.297 5.983 ( 0.000 -4.276 0.000) 4.276 6.028 ( 0.000 -0.565 0.000) 0.565 6.256 ( 0.000 -8.769 0.000) 8.769 6.382 ( 0.000 -19.250 0.000) 19.250 6.668 ( 0.000 10.926 0.000) 10.926 7.021 ( 0.000 2.783 0.000) 2.783 7.151 ( 0.000 -3.088 0.000) 3.088 7.189 ( 0.000 18.246 0.000) 18.246 7.393 ( 0.000 -5.095 0.000) 5.095 7.794 ( 0.000 0.922 0.000) 0.922 7.878 ( 0.000 19.736 0.000) 19.736 8.655 ( 0.000 -5.372 0.000) 5.372 8.789 ( 0.000 4.324 0.000) 4.324 9.194 ( 0.000 -8.220 0.000) 8.220 10.116 ( 0.000 14.469 0.000) 14.469 10.818 ( 0.000 -5.083 0.000) 5.083 11.349 ( 0.000 4.486 0.000) 4.486 11.625 ( 0.000 -4.452 0.000) 4.452 12.317 ( 0.000 9.793 0.000) 9.793 12.652 ( 0.000 0.275 0.000) 0.275 12.899 ( 0.000 -5.755 0.000) 5.755 12.964 ( 0.000 -8.802 0.000) 8.802 14.039 ( 0.000 1.812 0.000) 1.812 14.183 ( 0.000 -2.091 0.000) 2.091 14.281 ( 0.000 0.324 0.000) 0.324 14.352 ( 0.000 -1.805 0.000) 1.805 15.057 ( 0.000 2.622 0.000) 2.622 15.208 ( 0.000 0.723 0.000) 0.723 15.214 ( 0.000 -0.687 0.000) 0.687 15.229 ( 0.000 0.060 0.000) 0.060 15.389 ( 0.000 0.284 0.000) 0.284 15.450 ( 0.000 -1.358 0.000) 1.358 15.793 ( 0.000 -3.079 0.000) 3.079 15.831 ( 0.000 -0.676 0.000) 0.676 18.835 ( 0.000 9.598 0.000) 9.598 19.294 ( 0.000 -4.351 0.000) 4.351 19.420 ( 0.000 5.735 0.000) 5.735 19.816 ( 0.000 -5.134 0.000) 5.134 26.768 ( 0.000 3.943 0.000) 3.943 26.953 ( 0.000 0.525 0.000) 0.525 26.992 ( 0.000 -0.570 0.000) 0.570 27.067 ( 0.000 -4.180 0.000) 4.180 27.555 ( 0.000 0.821 0.000) 0.821 27.603 ( 0.000 -0.559 0.000) 0.559 28.875 ( 0.000 7.669 0.000) 7.669 29.283 ( 0.000 -1.643 0.000) 1.643 30.073 ( 0.000 6.773 0.000) 6.773 30.555 ( 0.000 2.298 0.000) 2.298 30.742 ( 0.000 -12.439 0.000) 12.439 31.462 ( 0.000 -28.630 0.000) 28.630 33.141 ( 0.000 8.896 0.000) 8.896 33.360 ( 0.000 6.406 0.000) 6.406 33.723 ( 0.000 13.041 0.000) 13.041 34.453 ( 0.000 -7.870 0.000) 7.870 ======================= Grid point 15 (10/96) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 0.987 30.059 0.000) 30.075 1.483 ( 7.264 29.752 0.000) 30.626 2.023 ( -3.995 13.947 0.000) 14.507 2.196 ( 3.159 8.931 0.000) 9.473 2.449 ( -3.950 15.469 0.000) 15.965 2.679 ( 24.491 33.454 0.000) 41.461 2.931 ( -13.081 16.736 0.000) 21.241 3.305 ( -2.176 -7.409 0.000) 7.722 3.415 ( -3.660 -21.832 0.000) 22.136 3.513 ( 10.013 2.788 0.000) 10.394 3.972 ( 5.157 -11.160 0.000) 12.294 4.125 ( -0.157 1.580 0.000) 1.588 4.278 ( -5.012 -16.513 0.000) 17.257 4.561 ( 4.169 -3.656 0.000) 5.545 4.732 ( -0.010 -3.147 0.000) 3.147 4.824 ( 4.784 -5.627 0.000) 7.386 4.923 ( 11.497 -3.443 0.000) 12.002 5.295 ( 11.812 -14.654 0.000) 18.822 5.760 ( -19.310 4.091 0.000) 19.739 6.134 ( 9.256 -0.605 0.000) 9.276 6.250 ( -0.857 -5.701 0.000) 5.765 6.462 ( -0.891 -13.009 0.000) 13.040 6.580 ( 1.209 2.375 0.000) 2.665 6.862 ( -14.981 1.595 0.000) 15.065 7.138 ( -5.516 16.381 0.000) 17.285 7.140 ( -9.476 -1.336 0.000) 9.569 7.327 ( 1.690 -3.540 0.000) 3.922 7.762 ( -2.499 -1.527 0.000) 2.929 8.047 ( 13.423 13.830 0.000) 19.273 8.776 ( -1.686 2.535 0.000) 3.044 8.856 ( 17.453 -11.552 0.000) 20.930 9.191 ( -0.208 -9.368 0.000) 9.371 10.173 ( 6.103 14.138 0.000) 15.399 10.840 ( 2.364 -4.816 0.000) 5.365 11.245 ( -11.032 4.162 0.000) 11.791 11.500 ( -12.867 -3.118 0.000) 13.239 12.259 ( -2.982 12.817 0.000) 13.160 12.603 ( -4.838 1.485 0.000) 5.061 12.920 ( 1.814 -6.549 0.000) 6.795 12.983 ( 1.197 -10.202 0.000) 10.272 14.079 ( 3.674 1.931 0.000) 4.151 14.198 ( 1.663 -1.235 0.000) 2.071 14.268 ( -1.415 0.569 0.000) 1.525 14.348 ( -0.385 -1.679 0.000) 1.722 15.065 ( 0.907 2.401 0.000) 2.566 15.180 ( -1.856 0.389 0.000) 1.896 15.213 ( -0.080 -0.692 0.000) 0.697 15.236 ( -0.602 -0.974 0.000) 1.145 15.343 ( -0.603 1.402 0.000) 1.526 15.530 ( 4.798 -3.271 0.000) 5.806 15.749 ( -4.474 -2.822 0.000) 5.289 15.815 ( -1.868 -1.369 0.000) 2.316 18.862 ( 2.834 9.842 0.000) 10.242 19.303 ( 0.909 -3.929 0.000) 4.033 19.410 ( -1.103 4.742 0.000) 4.868 19.615 ( -17.044 3.605 0.000) 17.422 26.801 ( 3.051 4.902 0.000) 5.774 26.918 ( -1.832 1.945 0.000) 2.672 27.055 ( 4.729 -1.850 0.000) 5.078 27.308 ( 7.652 -10.866 0.000) 13.290 27.695 ( 9.911 -0.058 0.000) 9.911 27.807 ( 34.746 -10.400 0.000) 36.269 28.804 ( -7.628 7.660 0.000) 10.810 29.264 ( -2.219 -2.947 0.000) 3.689 30.102 ( 3.126 6.433 0.000) 7.152 30.527 ( -3.033 2.315 0.000) 3.816 30.784 ( 4.537 -14.498 0.000) 15.192 31.417 ( -4.865 -28.730 0.000) 29.139 33.169 ( 2.997 9.242 0.000) 9.716 33.396 ( 3.888 6.490 0.000) 7.566 33.678 ( -4.694 12.509 0.000) 13.361 34.287 ( -15.741 -1.542 0.000) 15.816 ======================= Grid point 16 (11/96) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 16.856 15.489 0.000) 22.892 1.639 ( 8.344 23.378 0.000) 24.822 1.965 ( -0.919 17.423 0.000) 17.447 2.250 ( 2.568 5.331 0.000) 5.917 2.359 ( -4.881 11.838 0.000) 12.805 2.632 ( -20.489 9.606 0.000) 22.629 3.111 ( 16.508 8.112 0.000) 18.393 3.248 ( -3.009 -11.905 0.000) 12.279 3.379 ( 2.494 -14.332 0.000) 14.548 3.601 ( -0.032 -9.837 0.000) 9.837 4.020 ( 0.624 -17.801 0.000) 17.812 4.062 ( -2.880 -18.780 0.000) 18.999 4.386 ( 11.980 9.781 0.000) 15.466 4.718 ( 9.731 7.818 0.000) 12.482 4.750 ( 2.667 3.142 0.000) 4.121 4.819 ( -5.350 2.551 0.000) 5.927 5.152 ( 11.673 6.253 0.000) 13.242 5.411 ( -14.860 10.778 0.000) 18.357 5.619 ( 21.538 -5.343 0.000) 22.191 6.185 ( -3.662 1.336 0.000) 3.898 6.323 ( 7.843 4.035 0.000) 8.820 6.337 ( -9.351 2.104 0.000) 9.585 6.513 ( -19.629 1.753 0.000) 19.707 6.602 ( -8.521 2.892 0.000) 8.999 7.006 ( 0.051 -11.817 0.000) 11.818 7.025 ( -4.358 7.464 0.000) 8.643 7.409 ( 6.676 -7.891 0.000) 10.336 7.710 ( -4.056 -7.782 0.000) 8.775 8.297 ( 12.864 9.339 0.000) 15.897 8.700 ( -7.062 1.344 0.000) 7.189 9.149 ( 11.372 -16.182 0.000) 19.778 9.208 ( 2.504 -11.885 0.000) 12.146 10.338 ( 11.396 12.105 0.000) 16.625 10.908 ( 5.003 -4.116 0.000) 6.478 10.950 ( -19.253 5.418 0.000) 20.001 11.235 ( -13.131 -1.470 0.000) 13.213 12.267 ( 3.487 11.295 0.000) 11.821 12.491 ( -6.725 4.226 0.000) 7.943 12.954 ( 1.667 -8.102 0.000) 8.272 12.992 ( -0.217 -10.623 0.000) 10.625 14.144 ( 2.894 2.489 0.000) 3.817 14.233 ( -2.192 1.282 0.000) 2.539 14.246 ( 3.285 -0.686 0.000) 3.356 14.335 ( -1.111 -1.311 0.000) 1.719 15.089 ( 1.601 1.753 0.000) 2.374 15.151 ( -1.346 -0.074 0.000) 1.348 15.211 ( -0.171 -0.802 0.000) 0.820 15.215 ( -0.933 -1.273 0.000) 1.578 15.384 ( 4.449 -0.134 0.000) 4.451 15.611 ( 4.151 -4.003 0.000) 5.767 15.637 ( -7.172 -2.741 0.000) 7.678 15.763 ( -3.569 -2.379 0.000) 4.290 18.942 ( 5.894 10.476 0.000) 12.021 19.303 ( -13.731 10.167 0.000) 17.085 19.326 ( 1.525 -2.656 0.000) 3.062 19.392 ( -2.172 2.272 0.000) 3.143 26.855 ( 2.246 5.780 0.000) 6.201 26.895 ( -0.798 3.727 0.000) 3.811 27.151 ( 5.301 -3.302 0.000) 6.245 27.319 ( -2.784 -6.100 0.000) 6.705 27.949 ( 16.801 2.389 0.000) 16.969 28.531 ( 33.868 -23.618 0.000) 41.289 28.596 ( -14.322 7.187 0.000) 16.024 29.188 ( -6.479 -7.352 0.000) 9.799 30.191 ( 6.277 4.995 0.000) 8.022 30.445 ( -5.647 2.479 0.000) 6.168 30.909 ( 8.774 -20.029 0.000) 21.866 31.286 ( -8.958 -28.402 0.000) 29.781 33.255 ( 6.227 10.028 0.000) 11.804 33.504 ( 7.731 6.949 0.000) 10.395 33.557 ( -8.041 11.477 0.000) 14.014 33.962 ( -17.055 5.970 0.000) 18.070 ======================= Grid point 17 (12/96) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -2.589 16.380 0.000) 16.583 1.756 ( 2.589 16.380 0.000) 16.583 2.172 ( -22.838 15.001 0.000) 27.324 2.172 ( 22.838 15.001 0.000) 27.324 2.301 ( -4.061 1.809 0.000) 4.446 2.301 ( 4.061 1.809 0.000) 4.446 3.218 ( -0.675 -13.697 0.000) 13.714 3.218 ( 0.675 -13.697 0.000) 13.714 3.531 ( -7.935 -7.496 0.000) 10.916 3.531 ( 7.935 -7.496 0.000) 10.916 4.029 ( -0.921 -20.521 0.000) 20.541 4.029 ( 0.921 -20.521 0.000) 20.541 4.626 ( -12.496 10.329 0.000) 16.213 4.626 ( 12.496 10.329 0.000) 16.213 4.816 ( -2.149 10.003 0.000) 10.231 4.816 ( 2.149 10.003 0.000) 10.231 5.278 ( -1.964 13.048 0.000) 13.195 5.278 ( 1.964 13.048 0.000) 13.195 6.043 ( -22.137 -2.026 0.000) 22.230 6.043 ( 22.137 -2.026 0.000) 22.230 6.205 ( -9.246 2.363 0.000) 9.543 6.205 ( 9.246 2.363 0.000) 9.543 6.444 ( -6.244 11.864 0.000) 13.407 6.444 ( 6.244 11.864 0.000) 13.407 7.008 ( -1.128 -6.894 0.000) 6.986 7.008 ( 1.128 -6.894 0.000) 6.986 7.579 ( -9.708 -11.902 0.000) 15.359 7.579 ( 9.708 -11.902 0.000) 15.359 8.523 ( -11.229 4.592 0.000) 12.132 8.523 ( 11.229 4.592 0.000) 12.132 9.249 ( -0.037 -14.889 0.000) 14.889 9.249 ( 0.037 -14.889 0.000) 14.889 10.600 ( -16.882 8.636 0.000) 18.963 10.600 ( 16.882 8.636 0.000) 18.963 11.033 ( -8.615 -2.859 0.000) 9.077 11.033 ( 8.615 -2.859 0.000) 9.077 12.365 ( -6.442 7.674 0.000) 10.020 12.365 ( 6.442 7.674 0.000) 10.020 12.979 ( -1.083 -9.645 0.000) 9.706 12.979 ( 1.083 -9.645 0.000) 9.706 14.190 ( -2.282 2.180 0.000) 3.156 14.190 ( 2.282 2.180 0.000) 3.156 14.303 ( -2.463 -0.853 0.000) 2.606 14.303 ( 2.463 -0.853 0.000) 2.606 15.122 ( -1.787 0.788 0.000) 1.953 15.122 ( 1.787 0.788 0.000) 1.953 15.208 ( -0.024 -1.122 0.000) 1.122 15.208 ( 0.024 -1.122 0.000) 1.122 15.497 ( -7.313 -2.041 0.000) 7.592 15.497 ( 7.313 -2.041 0.000) 7.592 15.689 ( -4.187 -3.422 0.000) 5.408 15.689 ( 4.187 -3.422 0.000) 5.408 19.085 ( -9.503 11.109 0.000) 14.619 19.085 ( 9.503 11.109 0.000) 14.619 19.358 ( -1.763 -0.558 0.000) 1.850 19.358 ( 1.763 -0.558 0.000) 1.850 26.882 ( -0.831 5.181 0.000) 5.247 26.882 ( 0.831 5.181 0.000) 5.247 27.246 ( -4.718 -4.564 0.000) 6.564 27.246 ( 4.718 -4.564 0.000) 6.564 28.286 ( -18.272 5.420 0.000) 19.058 28.286 ( 18.272 5.420 0.000) 19.058 28.989 ( -16.184 -15.754 0.000) 22.585 28.989 ( 16.184 -15.754 0.000) 22.585 30.322 ( -7.243 3.232 0.000) 7.932 30.322 ( 7.243 3.232 0.000) 7.932 31.097 ( -10.737 -25.793 0.000) 27.939 31.097 ( 10.737 -25.793 0.000) 27.939 33.396 ( -8.605 10.758 0.000) 13.776 33.396 ( 8.605 10.758 0.000) 13.776 33.688 ( -12.165 7.615 0.000) 14.352 33.688 ( 12.165 7.615 0.000) 14.352 ======================= Grid point 21 (13/96) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 0.000 20.188 0.000) 20.188 2.055 ( 0.000 28.946 0.000) 28.946 2.232 ( 0.000 -1.567 0.000) 1.567 2.395 ( 0.000 19.995 0.000) 19.995 2.537 ( 0.000 -14.300 0.000) 14.300 2.915 ( 0.000 -27.428 0.000) 27.428 3.269 ( 0.000 34.923 0.000) 34.923 3.296 ( 0.000 7.483 0.000) 7.483 3.368 ( 0.000 2.159 0.000) 2.159 3.739 ( 0.000 -11.508 0.000) 11.508 3.824 ( 0.000 28.994 0.000) 28.994 4.045 ( 0.000 -5.573 0.000) 5.573 4.140 ( 0.000 -5.161 0.000) 5.161 4.460 ( 0.000 -5.771 0.000) 5.771 4.466 ( 0.000 -8.155 0.000) 8.155 4.536 ( 0.000 -22.630 0.000) 22.630 4.695 ( 0.000 -2.885 0.000) 2.885 4.705 ( 0.000 -9.344 0.000) 9.344 5.929 ( 0.000 0.184 0.000) 0.184 6.042 ( 0.000 -11.650 0.000) 11.650 6.048 ( 0.000 2.256 0.000) 2.256 6.119 ( 0.000 -4.798 0.000) 4.798 6.917 ( 0.000 11.563 0.000) 11.563 7.079 ( 0.000 -4.433 0.000) 4.433 7.091 ( 0.000 4.525 0.000) 4.525 7.239 ( 0.000 -8.953 0.000) 8.953 7.521 ( 0.000 13.540 0.000) 13.540 7.733 ( 0.000 -6.809 0.000) 6.809 8.245 ( 0.000 15.311 0.000) 15.311 8.503 ( 0.000 -9.728 0.000) 9.728 8.897 ( 0.000 6.082 0.000) 6.082 9.035 ( 0.000 -7.232 0.000) 7.232 10.412 ( 0.000 13.753 0.000) 13.753 10.662 ( 0.000 -10.077 0.000) 10.077 11.444 ( 0.000 4.561 0.000) 4.561 11.535 ( 0.000 -4.339 0.000) 4.339 12.533 ( 0.000 10.920 0.000) 10.920 12.686 ( 0.000 3.096 0.000) 3.096 12.759 ( 0.000 -10.770 0.000) 10.770 12.778 ( 0.000 -5.559 0.000) 5.559 14.083 ( 0.000 2.393 0.000) 2.393 14.134 ( 0.000 -2.511 0.000) 2.511 14.293 ( 0.000 0.871 0.000) 0.871 14.317 ( 0.000 -1.443 0.000) 1.443 15.115 ( 0.000 2.924 0.000) 2.924 15.175 ( 0.000 -2.738 0.000) 2.738 15.222 ( 0.000 0.517 0.000) 0.517 15.229 ( 0.000 -0.160 0.000) 0.160 15.400 ( 0.000 0.812 0.000) 0.812 15.422 ( 0.000 -1.294 0.000) 1.294 15.776 ( 0.000 0.945 0.000) 0.945 15.807 ( 0.000 -1.590 0.000) 1.590 19.026 ( 0.000 8.558 0.000) 8.558 19.182 ( 0.000 -6.535 0.000) 6.535 19.552 ( 0.000 6.859 0.000) 6.859 19.693 ( 0.000 -6.596 0.000) 6.596 26.862 ( 0.000 5.042 0.000) 5.042 26.965 ( 0.000 0.644 0.000) 0.644 26.969 ( 0.000 -5.158 0.000) 5.158 26.979 ( 0.000 -0.669 0.000) 0.669 27.573 ( 0.000 0.871 0.000) 0.871 27.589 ( 0.000 -0.743 0.000) 0.743 29.055 ( 0.000 8.979 0.000) 8.979 29.212 ( 0.000 -5.624 0.000) 5.624 30.247 ( 0.000 10.016 0.000) 10.016 30.481 ( 0.000 -12.348 0.000) 12.348 30.660 ( 0.000 8.824 0.000) 8.824 30.952 ( 0.000 -19.822 0.000) 19.822 33.312 ( 0.000 7.010 0.000) 7.010 33.406 ( 0.000 -1.575 0.000) 1.575 34.000 ( 0.000 13.290 0.000) 13.290 34.256 ( 0.000 -11.180 0.000) 11.180 ======================= Grid point 22 (14/96) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -4.323 22.001 0.000) 22.422 2.082 ( 2.534 27.240 0.000) 27.358 2.233 ( 0.117 -3.182 0.000) 3.184 2.385 ( -0.883 19.593 0.000) 19.612 2.527 ( -1.565 -11.989 0.000) 12.090 2.886 ( -2.468 -26.357 0.000) 26.472 3.193 ( -12.012 10.035 0.000) 15.652 3.305 ( 3.958 24.098 0.000) 24.421 3.377 ( -2.461 12.686 0.000) 12.923 3.460 ( -20.512 -5.058 0.000) 21.127 3.711 ( -2.818 -15.736 0.000) 15.987 3.805 ( -15.806 -20.413 0.000) 25.817 4.386 ( 16.320 15.826 0.000) 22.733 4.565 ( 16.683 6.315 0.000) 17.838 4.673 ( 2.719 -6.610 0.000) 7.147 4.728 ( 16.086 -6.375 0.000) 17.303 4.868 ( 20.791 -0.764 0.000) 20.805 4.973 ( 25.174 -13.018 0.000) 28.341 5.827 ( -9.305 4.964 0.000) 10.546 6.049 ( 1.407 -17.253 0.000) 17.310 6.130 ( 7.906 0.505 0.000) 7.922 6.163 ( 4.333 -2.815 0.000) 5.167 6.790 ( -10.824 8.801 0.000) 13.951 6.879 ( -15.178 -0.596 0.000) 15.189 7.133 ( -3.141 1.731 0.000) 3.586 7.226 ( -0.110 -6.040 0.000) 6.041 7.450 ( -7.797 13.310 0.000) 15.426 7.670 ( -6.526 -7.637 0.000) 10.046 8.347 ( 9.401 14.380 0.000) 17.180 8.620 ( 10.915 -12.034 0.000) 16.246 8.862 ( -3.326 5.794 0.000) 6.681 9.008 ( -2.384 -8.163 0.000) 8.504 10.458 ( 4.706 13.014 0.000) 13.838 10.693 ( 3.240 -9.466 0.000) 10.005 11.334 ( -11.172 4.369 0.000) 11.996 11.422 ( -11.338 -4.117 0.000) 12.062 12.515 ( -1.165 12.109 0.000) 12.165 12.662 ( -2.304 4.378 0.000) 4.948 12.759 ( -0.012 -11.463 0.000) 11.463 12.779 ( 0.012 -6.644 0.000) 6.644 14.121 ( 3.651 2.152 0.000) 4.238 14.164 ( 2.869 -1.938 0.000) 3.462 14.286 ( -0.807 1.165 0.000) 1.417 14.314 ( -0.352 -1.568 0.000) 1.607 15.118 ( 0.403 2.704 0.000) 2.734 15.175 ( 0.005 -2.620 0.000) 2.620 15.195 ( -2.132 0.982 0.000) 2.347 15.216 ( -1.541 -1.002 0.000) 1.838 15.392 ( 0.635 3.013 0.000) 3.080 15.460 ( 2.753 -3.447 0.000) 4.411 15.739 ( -3.881 1.360 0.000) 4.112 15.779 ( -2.937 -2.100 0.000) 3.611 19.052 ( 2.787 8.318 0.000) 8.773 19.200 ( 1.934 -6.071 0.000) 6.372 19.515 ( -3.755 5.146 0.000) 6.370 19.606 ( -8.331 -3.221 0.000) 8.932 26.925 ( 5.195 7.075 0.000) 8.777 26.963 ( 0.402 2.335 0.000) 2.370 27.012 ( 2.732 -2.293 0.000) 3.567 27.093 ( 8.372 -9.341 0.000) 12.544 27.697 ( 12.137 0.250 0.000) 12.139 27.712 ( 16.816 -1.601 0.000) 16.892 28.988 ( -7.275 9.525 0.000) 11.985 29.164 ( -5.279 -6.927 0.000) 8.709 30.270 ( 2.441 9.823 0.000) 10.121 30.503 ( 2.432 -12.620 0.000) 12.853 30.630 ( -3.197 8.557 0.000) 9.135 30.912 ( -4.144 -19.290 0.000) 19.730 33.345 ( 3.530 7.213 0.000) 8.030 33.442 ( 3.882 -1.684 0.000) 4.231 33.941 ( -6.147 12.324 0.000) 13.772 34.166 ( -8.988 -9.053 0.000) 12.757 ======================= Grid point 23 (15/96) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 4.635 18.456 0.000) 19.029 2.131 ( 2.006 22.609 0.000) 22.698 2.249 ( 1.981 -6.856 0.000) 7.137 2.376 ( 0.796 21.607 0.000) 21.622 2.448 ( -7.322 -4.488 0.000) 8.588 2.851 ( -0.806 -23.333 0.000) 23.347 2.879 ( -22.301 8.014 0.000) 23.697 3.009 ( -15.259 -8.054 0.000) 17.254 3.394 ( 4.576 9.936 0.000) 10.939 3.435 ( 1.919 -0.251 0.000) 1.935 3.664 ( -2.205 -17.816 0.000) 17.952 3.665 ( -1.634 -15.907 0.000) 15.991 4.625 ( 10.940 10.645 0.000) 15.264 4.766 ( 7.153 -2.589 0.000) 7.607 4.888 ( 10.572 5.939 0.000) 12.126 4.910 ( 2.809 3.582 0.000) 4.552 5.307 ( 23.990 8.163 0.000) 25.340 5.477 ( 27.077 -8.012 0.000) 28.238 5.676 ( -3.734 17.173 0.000) 17.574 6.110 ( 2.260 -21.528 0.000) 21.647 6.231 ( 2.782 3.627 0.000) 4.571 6.318 ( 10.140 -3.657 0.000) 10.780 6.550 ( -17.999 1.776 0.000) 18.086 6.581 ( -10.706 -1.441 0.000) 10.803 7.029 ( -4.874 9.338 0.000) 10.534 7.235 ( 1.092 -9.437 0.000) 9.500 7.242 ( -13.177 12.654 0.000) 18.269 7.504 ( -10.819 -11.921 0.000) 16.098 8.534 ( 9.509 13.252 0.000) 16.311 8.786 ( -4.751 6.950 0.000) 8.419 8.828 ( 9.544 -14.997 0.000) 17.777 8.972 ( -1.177 -10.667 0.000) 10.731 10.581 ( 8.470 11.093 0.000) 13.957 10.782 ( 6.333 -8.112 0.000) 10.291 11.065 ( -16.277 5.514 0.000) 17.185 11.170 ( -14.047 -4.429 0.000) 14.728 12.512 ( 1.010 12.128 0.000) 12.170 12.608 ( -3.239 7.081 0.000) 7.787 12.760 ( 0.146 -11.780 0.000) 11.781 12.775 ( -0.412 -8.763 0.000) 8.772 14.191 ( 3.239 1.999 0.000) 3.806 14.226 ( 3.357 -1.308 0.000) 3.603 14.266 ( -1.293 1.821 0.000) 2.233 14.303 ( -0.874 -1.748 0.000) 1.955 15.128 ( 0.641 2.047 0.000) 2.145 15.160 ( -1.360 0.955 0.000) 1.662 15.174 ( -0.115 -2.289 0.000) 2.292 15.186 ( -1.334 -1.424 0.000) 1.951 15.432 ( 3.601 3.838 0.000) 5.263 15.522 ( 3.960 -4.563 0.000) 6.041 15.641 ( -6.216 2.350 0.000) 6.646 15.704 ( -4.897 -3.236 0.000) 5.870 19.129 ( 5.518 7.474 0.000) 9.290 19.253 ( 3.624 -4.624 0.000) 5.875 19.421 ( -7.780 2.435 0.000) 8.152 19.433 ( -7.327 1.170 0.000) 7.419 26.981 ( 1.307 4.442 0.000) 4.630 26.997 ( 1.937 7.830 0.000) 8.066 27.072 ( 3.510 -4.238 0.000) 5.502 27.167 ( 0.092 -8.238 0.000) 8.238 28.022 ( 21.640 5.042 0.000) 22.220 28.181 ( 29.136 -11.236 0.000) 31.228 28.781 ( -14.926 10.358 0.000) 18.168 29.002 ( -12.607 -10.413 0.000) 16.351 30.337 ( 4.675 9.177 0.000) 10.299 30.547 ( -5.408 8.131 0.000) 9.766 30.571 ( 4.788 -13.563 0.000) 14.383 30.808 ( -6.707 -17.666 0.000) 18.897 33.444 ( 7.055 7.769 0.000) 10.494 33.551 ( 7.757 -1.999 0.000) 8.010 33.788 ( -9.655 10.317 0.000) 14.130 33.956 ( -12.563 -5.213 0.000) 13.602 ======================= Grid point 24 (16/96) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -6.547 15.529 0.000) 16.853 2.105 ( 6.547 15.529 0.000) 16.853 2.307 ( -5.082 -2.270 0.000) 5.566 2.307 ( 5.082 -2.270 0.000) 5.566 2.495 ( -14.383 15.154 0.000) 20.893 2.495 ( 14.383 15.154 0.000) 20.893 2.867 ( -2.994 -19.238 0.000) 19.470 2.867 ( 2.994 -19.238 0.000) 19.470 3.449 ( -0.943 2.616 0.000) 2.781 3.449 ( 0.943 2.616 0.000) 2.781 3.650 ( -0.112 -15.333 0.000) 15.334 3.650 ( 0.112 -15.333 0.000) 15.334 4.815 ( -8.968 7.669 0.000) 11.800 4.815 ( 8.968 7.669 0.000) 11.800 4.912 ( -6.770 -0.785 0.000) 6.816 4.912 ( 6.770 -0.785 0.000) 6.816 5.640 ( -7.832 18.850 0.000) 20.412 5.640 ( 7.832 18.850 0.000) 20.412 5.938 ( -20.350 -9.083 0.000) 22.285 5.938 ( 20.350 -9.083 0.000) 22.285 6.283 ( -6.796 6.213 0.000) 9.208 6.283 ( 6.796 6.213 0.000) 9.208 6.467 ( -5.019 -9.196 0.000) 10.476 6.467 ( 5.019 -9.196 0.000) 10.476 7.038 ( -6.701 10.755 0.000) 12.672 7.038 ( 6.701 10.755 0.000) 12.672 7.310 ( -8.016 -13.797 0.000) 15.957 7.310 ( 8.016 -13.797 0.000) 15.957 8.683 ( -6.505 10.641 0.000) 12.472 8.683 ( 6.505 10.641 0.000) 12.472 8.944 ( -3.000 -14.191 0.000) 14.505 8.944 ( 3.000 -14.191 0.000) 14.505 10.781 ( -13.228 8.479 0.000) 15.712 10.781 ( 13.228 8.479 0.000) 15.712 10.937 ( -10.487 -6.345 0.000) 12.257 10.937 ( 10.487 -6.345 0.000) 12.257 12.550 ( -2.831 9.978 0.000) 10.372 12.550 ( 2.831 9.978 0.000) 10.372 12.766 ( -0.484 -10.716 0.000) 10.727 12.766 ( 0.484 -10.716 0.000) 10.727 14.237 ( -1.836 2.222 0.000) 2.882 14.237 ( 1.836 2.222 0.000) 2.882 14.277 ( -2.039 -1.616 0.000) 2.602 14.277 ( 2.039 -1.616 0.000) 2.602 15.142 ( -0.777 1.192 0.000) 1.423 15.142 ( 0.777 1.192 0.000) 1.423 15.173 ( -0.134 -1.799 0.000) 1.804 15.173 ( 0.134 -1.799 0.000) 1.804 15.523 ( -5.982 3.437 0.000) 6.899 15.523 ( 5.982 3.437 0.000) 6.899 15.608 ( -5.129 -4.308 0.000) 6.698 15.608 ( 5.129 -4.308 0.000) 6.698 19.256 ( -8.061 5.670 0.000) 9.856 19.256 ( 8.061 5.670 0.000) 9.856 19.333 ( -4.872 -2.114 0.000) 5.311 19.333 ( 4.872 -2.114 0.000) 5.311 27.003 ( -0.817 6.370 0.000) 6.423 27.003 ( 0.817 6.370 0.000) 6.423 27.134 ( -2.935 -6.081 0.000) 6.752 27.134 ( 2.935 -6.081 0.000) 6.752 28.438 ( -21.354 9.406 0.000) 23.334 28.438 ( 21.354 9.406 0.000) 23.334 28.677 ( -22.460 -13.719 0.000) 26.318 28.677 ( 22.460 -13.719 0.000) 26.318 30.439 ( -5.943 8.338 0.000) 10.239 30.439 ( 5.943 8.338 0.000) 10.239 30.679 ( -6.651 -15.390 0.000) 16.766 30.679 ( 6.651 -15.390 0.000) 16.766 33.603 ( -9.658 8.703 0.000) 13.001 33.603 ( 9.658 8.703 0.000) 13.001 33.729 ( -11.181 -2.842 0.000) 11.537 33.729 ( 11.181 -2.842 0.000) 11.537 ======================= Grid point 49 (17/96) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 0.000 0.000 27.420) 27.420 0.732 ( 0.000 0.000 34.661) 34.661 1.012 ( 0.000 0.000 48.885) 48.885 1.952 ( 0.000 0.000 1.095) 1.095 1.992 ( 0.000 0.000 -0.447) 0.447 2.097 ( 0.000 0.000 29.314) 29.314 2.383 ( 0.000 0.000 1.809) 1.809 3.464 ( 0.000 0.000 -2.439) 2.439 3.662 ( 0.000 0.000 4.211) 4.211 3.701 ( 0.000 0.000 -3.326) 3.326 3.920 ( 0.000 0.000 4.738) 4.738 4.120 ( 0.000 0.000 5.777) 5.777 4.542 ( 0.000 0.000 3.249) 3.249 4.818 ( 0.000 0.000 -11.189) 11.189 4.952 ( 0.000 0.000 7.594) 7.594 5.023 ( 0.000 0.000 1.516) 1.516 5.023 ( 0.000 0.000 -1.967) 1.967 5.333 ( 0.000 0.000 15.167) 15.167 5.752 ( 0.000 0.000 -3.548) 3.548 6.234 ( 0.000 0.000 -1.933) 1.933 6.398 ( 0.000 0.000 -3.588) 3.588 6.504 ( 0.000 0.000 1.030) 1.030 6.874 ( 0.000 0.000 -1.930) 1.930 6.950 ( 0.000 0.000 0.700) 0.700 7.297 ( 0.000 0.000 -1.011) 1.011 7.336 ( 0.000 0.000 8.385) 8.385 7.338 ( 0.000 0.000 -3.763) 3.763 7.620 ( 0.000 0.000 -1.307) 1.307 7.812 ( 0.000 0.000 -3.790) 3.790 8.344 ( 0.000 0.000 -19.270) 19.270 9.044 ( 0.000 0.000 12.398) 12.398 9.548 ( 0.000 0.000 -2.492) 2.492 9.655 ( 0.000 0.000 -14.773) 14.773 10.664 ( 0.000 0.000 -19.227) 19.227 11.108 ( 0.000 0.000 -8.220) 8.220 11.266 ( 0.000 0.000 0.609) 0.609 11.867 ( 0.000 0.000 8.140) 8.140 12.701 ( 0.000 0.000 2.646) 2.646 13.181 ( 0.000 0.000 1.881) 1.881 13.271 ( 0.000 0.000 1.397) 1.397 14.035 ( 0.000 0.000 2.928) 2.928 14.137 ( 0.000 0.000 -3.406) 3.406 14.280 ( 0.000 0.000 0.295) 0.295 14.445 ( 0.000 0.000 3.195) 3.195 14.998 ( 0.000 0.000 0.714) 0.714 15.160 ( 0.000 0.000 -2.500) 2.500 15.221 ( 0.000 0.000 -0.416) 0.416 15.391 ( 0.000 0.000 0.631) 0.631 15.505 ( 0.000 0.000 1.832) 1.832 15.822 ( 0.000 0.000 -0.449) 0.449 15.823 ( 0.000 0.000 -1.201) 1.201 15.955 ( 0.000 0.000 -0.468) 0.468 18.560 ( 0.000 0.000 -0.515) 0.515 18.851 ( 0.000 0.000 4.461) 4.461 19.180 ( 0.000 0.000 -6.943) 6.943 19.464 ( 0.000 0.000 4.125) 4.125 26.703 ( 0.000 0.000 2.037) 2.037 26.951 ( 0.000 0.000 0.643) 0.643 27.215 ( 0.000 0.000 5.096) 5.096 27.340 ( 0.000 0.000 -8.607) 8.607 27.638 ( 0.000 0.000 2.205) 2.205 27.796 ( 0.000 0.000 12.037) 12.037 29.078 ( 0.000 0.000 -3.617) 3.617 29.288 ( 0.000 0.000 -1.184) 1.184 30.035 ( 0.000 0.000 9.376) 9.376 30.994 ( 0.000 0.000 -5.350) 5.350 32.424 ( 0.000 0.000 1.517) 1.517 32.594 ( 0.000 0.000 4.739) 4.739 32.824 ( 0.000 0.000 0.007) 0.007 32.912 ( 0.000 0.000 0.478) 0.478 33.368 ( 0.000 0.000 -2.476) 2.476 33.426 ( 0.000 0.000 -0.699) 0.699 ======================= Grid point 50 (18/96) ======================= q-point: ( 0.17 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 25.538 0.000 18.419) 31.487 0.990 ( 23.040 0.000 24.144) 33.374 1.566 ( 48.837 0.000 28.324) 56.456 1.944 ( -1.402 0.000 1.546) 2.087 2.030 ( 4.289 0.000 -0.865) 4.375 2.064 ( -4.152 0.000 28.196) 28.500 2.493 ( 9.684 0.000 1.477) 9.796 3.453 ( -0.750 0.000 -2.259) 2.380 3.667 ( 6.538 0.000 9.876) 11.844 3.686 ( -1.537 0.000 -2.888) 3.271 3.939 ( 2.659 0.000 4.737) 5.432 4.441 ( 15.063 0.000 -12.221) 19.397 4.551 ( 0.790 0.000 3.342) 3.434 4.777 ( -6.405 0.000 -11.729) 13.365 4.972 ( 2.268 0.000 6.383) 6.774 4.973 ( -4.891 0.000 -0.208) 4.895 4.987 ( -4.268 0.000 0.894) 4.361 5.311 ( -2.548 0.000 13.081) 13.327 5.661 ( -2.527 0.000 2.358) 3.456 6.124 ( -9.530 0.000 -2.429) 9.835 6.261 ( -12.465 0.000 -3.006) 12.822 6.544 ( -12.601 0.000 2.333) 12.815 6.633 ( 0.586 0.000 -0.546) 0.801 6.804 ( -14.279 0.000 0.912) 14.308 6.990 ( -21.295 0.000 11.087) 24.009 7.451 ( 10.219 0.000 -4.388) 11.121 7.586 ( -8.822 0.000 -0.801) 8.859 7.715 ( 7.823 0.000 -2.190) 8.124 7.725 ( 23.173 0.000 5.364) 23.785 8.625 ( 13.243 0.000 -17.554) 21.989 9.197 ( 8.943 0.000 -8.308) 12.207 9.639 ( -1.772 0.000 -13.667) 13.781 9.641 ( 10.033 0.000 -2.959) 10.460 10.661 ( -0.860 0.000 -19.450) 19.469 11.060 ( -4.923 0.000 -6.338) 8.025 11.211 ( -5.345 0.000 -0.022) 5.345 11.919 ( 5.406 0.000 7.551) 9.287 12.626 ( -7.352 0.000 2.912) 7.907 13.162 ( 1.136 0.000 4.631) 4.769 13.347 ( 2.716 0.000 1.525) 3.115 14.044 ( 1.144 0.000 1.898) 2.216 14.169 ( 3.037 0.000 -2.131) 3.710 14.263 ( -1.768 0.000 0.107) 1.771 14.431 ( -1.523 0.000 2.904) 3.279 15.012 ( 1.277 0.000 0.634) 1.425 15.083 ( -8.361 0.000 -0.463) 8.374 15.161 ( -1.484 0.000 -3.385) 3.696 15.260 ( -3.370 0.000 -0.884) 3.484 15.593 ( 2.793 0.000 4.411) 5.221 15.733 ( -1.889 0.000 -1.225) 2.251 15.900 ( -0.037 0.000 2.264) 2.265 15.941 ( -0.616 0.000 0.856) 1.055 18.572 ( 1.350 0.000 -0.328) 1.389 18.816 ( -3.323 0.000 3.372) 4.734 19.215 ( 3.326 0.000 -5.420) 6.359 19.453 ( -1.223 0.000 3.546) 3.751 26.696 ( 0.514 0.000 0.586) 0.780 26.940 ( -6.657 0.000 4.309) 7.930 27.081 ( 6.001 0.000 -0.933) 6.073 27.523 ( -0.680 0.000 -0.312) 0.748 27.724 ( 8.685 0.000 2.591) 9.063 28.274 ( 29.713 0.000 -16.425) 33.950 29.046 ( -1.109 0.000 -10.427) 10.486 29.303 ( 1.069 0.000 -2.467) 2.689 30.082 ( 4.979 0.000 9.115) 10.386 30.856 ( -12.082 0.000 4.417) 12.864 32.440 ( 1.693 0.000 1.482) 2.250 32.604 ( 1.137 0.000 4.478) 4.620 32.748 ( -5.426 0.000 0.541) 5.453 32.991 ( 5.697 0.000 -0.143) 5.698 33.097 ( -21.101 0.000 15.116) 25.956 33.347 ( -2.206 0.000 -2.333) 3.211 ======================= Grid point 51 (19/96) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 22.255 0.000 21.176) 30.719 1.436 ( 21.837 0.000 13.427) 25.634 1.887 ( -4.929 0.000 3.034) 5.788 1.927 ( -9.745 0.000 26.301) 28.048 2.168 ( 10.940 0.000 -1.154) 11.001 2.562 ( 53.753 0.000 8.213) 54.377 2.604 ( -1.513 0.000 0.371) 1.558 3.471 ( 3.585 0.000 -1.538) 3.901 3.642 ( -3.248 0.000 -1.876) 3.751 3.853 ( 7.746 0.000 8.010) 11.143 4.059 ( 11.231 0.000 4.506) 12.101 4.405 ( -18.480 0.000 -14.045) 23.212 4.545 ( -3.392 0.000 3.582) 4.933 4.581 ( -9.685 0.000 -1.970) 9.883 4.844 ( -7.519 0.000 0.548) 7.539 4.885 ( -5.819 0.000 2.734) 6.429 5.072 ( 8.494 0.000 3.535) 9.200 5.290 ( 0.221 0.000 7.729) 7.733 5.776 ( 13.134 0.000 5.992) 14.436 5.963 ( -6.317 0.000 -3.260) 7.109 6.029 ( -10.356 0.000 -3.173) 10.831 6.235 ( -11.942 0.000 2.816) 12.270 6.469 ( -20.300 0.000 -0.243) 20.302 6.515 ( -20.605 0.000 14.556) 25.228 6.897 ( 13.425 0.000 -1.667) 13.528 7.413 ( -10.887 0.000 -2.838) 11.251 7.652 ( 10.172 0.000 -4.847) 11.268 7.825 ( 2.629 0.000 -3.730) 4.563 8.164 ( 22.642 0.000 3.936) 22.981 8.733 ( -2.660 0.000 -2.130) 3.408 9.319 ( 6.556 0.000 -17.978) 19.136 9.581 ( -4.677 0.000 -13.338) 14.134 9.913 ( 18.425 0.000 -4.889) 19.062 10.578 ( -10.113 0.000 -16.942) 19.731 10.971 ( -2.390 0.000 -3.092) 3.908 11.097 ( -6.222 0.000 -2.882) 6.857 12.060 ( 9.324 0.000 6.124) 11.155 12.455 ( -10.414 0.000 3.476) 10.979 13.212 ( 3.573 0.000 5.154) 6.272 13.343 ( -2.362 0.000 5.259) 5.765 14.082 ( 2.804 0.000 0.782) 2.911 14.204 ( -2.231 0.000 0.399) 2.267 14.250 ( 3.252 0.000 -0.897) 3.373 14.389 ( -2.941 0.000 2.047) 3.583 15.007 ( 0.533 0.000 -5.413) 5.440 15.054 ( 1.346 0.000 -2.833) 3.137 15.136 ( -0.931 0.000 -3.055) 3.193 15.206 ( -2.874 0.000 -1.111) 3.081 15.626 ( 1.701 0.000 1.343) 2.167 15.713 ( -1.397 0.000 -2.093) 2.517 15.879 ( -0.587 0.000 4.239) 4.280 15.925 ( -1.439 0.000 4.774) 4.986 18.609 ( 2.632 0.000 0.186) 2.638 18.743 ( -4.164 0.000 1.942) 4.595 19.288 ( 4.146 0.000 -2.831) 5.020 19.418 ( -2.483 0.000 1.955) 3.160 26.722 ( 2.029 0.000 -0.491) 2.087 26.836 ( -4.423 0.000 1.819) 4.782 27.222 ( 7.866 0.000 -0.013) 7.866 27.466 ( -4.617 0.000 1.674) 4.911 27.937 ( 13.808 0.000 2.994) 14.129 28.450 ( -6.919 0.000 -0.150) 6.920 29.125 ( 7.951 0.000 -19.725) 21.267 29.307 ( -1.089 0.000 -6.043) 6.140 30.216 ( 9.052 0.000 8.428) 12.368 30.622 ( -12.275 0.000 9.848) 15.737 32.486 ( 3.209 0.000 1.373) 3.490 32.638 ( 2.477 0.000 4.188) 4.866 32.648 ( -5.208 0.000 0.924) 5.289 32.823 ( -9.336 0.000 9.980) 13.666 33.099 ( 5.761 0.000 -0.771) 5.812 33.288 ( -4.004 0.000 -1.941) 4.450 ======================= Grid point 52 (20/96) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -15.684 0.000 24.307) 28.928 1.691 ( 15.684 0.000 24.307) 28.928 1.744 ( -11.226 0.000 6.511) 12.977 1.744 ( 11.226 0.000 6.511) 12.977 2.426 ( -14.755 0.000 -0.341) 14.759 2.426 ( 14.755 0.000 -0.341) 14.759 3.491 ( -42.923 0.000 -1.508) 42.949 3.491 ( 42.923 0.000 -1.508) 42.949 3.564 ( -5.106 0.000 -1.295) 5.268 3.564 ( 5.106 0.000 -1.295) 5.268 4.342 ( -16.651 0.000 3.841) 17.088 4.342 ( 16.651 0.000 3.841) 17.088 4.364 ( -12.355 0.000 -0.142) 12.356 4.364 ( 12.355 0.000 -0.142) 12.356 4.798 ( -2.550 0.000 2.517) 3.583 4.798 ( 2.550 0.000 2.517) 3.583 5.235 ( -7.106 0.000 4.830) 8.592 5.235 ( 7.106 0.000 4.830) 8.592 5.915 ( -1.593 0.000 -3.608) 3.944 5.915 ( 1.593 0.000 -3.608) 3.944 6.085 ( -18.337 0.000 2.128) 18.460 6.085 ( 18.337 0.000 2.128) 18.460 6.211 ( -8.453 0.000 9.741) 12.897 6.211 ( 8.453 0.000 9.741) 12.897 7.171 ( -14.590 0.000 -3.161) 14.929 7.171 ( 14.590 0.000 -3.161) 14.929 7.800 ( -5.096 0.000 -4.657) 6.904 7.800 ( 5.096 0.000 -4.657) 6.904 8.539 ( -16.617 0.000 2.703) 16.835 8.539 ( 16.617 0.000 2.703) 16.835 9.462 ( -7.798 0.000 -16.002) 17.801 9.462 ( 7.798 0.000 -16.002) 17.801 10.283 ( -19.640 0.000 -9.344) 21.749 10.283 ( 19.640 0.000 -9.344) 21.749 10.996 ( -4.153 0.000 -4.358) 6.020 10.996 ( 4.153 0.000 -4.358) 6.020 12.252 ( -10.965 0.000 4.591) 11.888 12.252 ( 10.965 0.000 4.591) 11.888 13.282 ( -3.790 0.000 5.745) 6.882 13.282 ( 3.790 0.000 5.745) 6.882 14.143 ( -3.582 0.000 0.320) 3.597 14.143 ( 3.582 0.000 0.320) 3.597 14.324 ( -3.952 0.000 0.738) 4.021 14.324 ( 3.952 0.000 0.738) 4.021 15.042 ( -2.269 0.000 -5.716) 6.150 15.042 ( 2.269 0.000 -5.716) 6.150 15.153 ( -2.511 0.000 -1.471) 2.910 15.153 ( 2.511 0.000 -1.471) 2.910 15.670 ( -2.798 0.000 -1.917) 3.392 15.670 ( 2.798 0.000 -1.917) 3.392 15.893 ( -1.713 0.000 5.920) 6.163 15.893 ( 1.713 0.000 5.920) 6.163 18.669 ( -3.683 0.000 0.937) 3.800 18.669 ( 3.683 0.000 0.937) 3.800 19.361 ( -3.599 0.000 -0.291) 3.611 19.361 ( 3.599 0.000 -0.291) 3.611 26.768 ( -2.992 0.000 0.116) 2.994 26.768 ( 2.992 0.000 0.116) 2.994 27.359 ( -6.681 0.000 1.175) 6.784 27.359 ( 6.681 0.000 1.175) 6.784 28.217 ( -15.265 0.000 2.933) 15.544 28.217 ( 15.265 0.000 2.933) 15.544 29.252 ( -4.958 0.000 -11.681) 12.690 29.252 ( 4.958 0.000 -11.681) 12.690 30.405 ( -10.989 0.000 9.046) 14.233 30.405 ( 10.989 0.000 9.046) 14.233 32.558 ( -4.408 0.000 1.191) 4.566 32.558 ( 4.408 0.000 1.191) 4.566 32.701 ( -4.552 0.000 5.304) 6.990 32.701 ( 4.552 0.000 5.304) 6.990 33.202 ( -5.184 0.000 -1.388) 5.367 33.202 ( 5.184 0.000 -1.388) 5.367 ======================= Grid point 56 (21/96) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.000 21.222 19.387) 28.744 0.893 ( 0.000 27.009 14.212) 30.520 1.639 ( 0.000 42.492 32.246) 53.342 2.033 ( 0.000 7.142 6.791) 9.855 2.088 ( 0.000 7.300 -1.322) 7.419 2.242 ( 0.000 13.169 20.112) 24.040 2.609 ( 0.000 20.553 2.027) 20.653 3.436 ( 0.000 -2.882 -1.499) 3.249 3.472 ( 0.000 -6.449 9.435) 11.429 3.765 ( 0.000 -5.092 -7.093) 8.731 4.068 ( 0.000 -4.412 6.045) 7.484 4.094 ( 0.000 6.569 5.655) 8.668 4.532 ( 0.000 -2.112 0.703) 2.226 4.768 ( 0.000 -5.352 -7.119) 8.906 4.816 ( 0.000 -10.316 7.706) 12.876 4.981 ( 0.000 -4.915 3.009) 5.763 5.143 ( 0.000 -3.728 4.984) 6.224 5.292 ( 0.000 6.832 -16.640) 17.988 5.608 ( 0.000 -13.472 -2.480) 13.699 6.116 ( 0.000 -5.391 1.806) 5.685 6.382 ( 0.000 0.846 -0.647) 1.065 6.715 ( 0.000 -9.770 -4.022) 10.565 6.761 ( 0.000 13.093 -1.531) 13.182 6.968 ( 0.000 1.337 0.173) 1.348 7.237 ( 0.000 -2.405 1.276) 2.723 7.257 ( 0.000 -24.378 13.384) 27.811 7.387 ( 0.000 0.930 -4.451) 4.548 7.516 ( 0.000 11.332 4.298) 12.120 7.771 ( 0.000 4.477 4.995) 6.708 8.351 ( 0.000 0.666 -18.886) 18.898 9.033 ( 0.000 -0.991 12.050) 12.091 9.375 ( 0.000 -11.788 -2.988) 12.161 9.752 ( 0.000 11.701 -6.829) 13.548 10.664 ( 0.000 -0.239 -18.417) 18.418 11.282 ( 0.000 1.430 -0.521) 1.522 11.396 ( 0.000 9.757 -26.490) 28.230 11.978 ( 0.000 10.951 3.737) 11.571 12.692 ( 0.000 -0.741 2.676) 2.777 13.122 ( 0.000 -9.607 5.571) 11.105 13.128 ( 0.000 -5.011 1.862) 5.346 14.041 ( 0.000 0.491 2.590) 2.636 14.131 ( 0.000 -0.567 -2.859) 2.915 14.288 ( 0.000 0.765 0.967) 1.233 14.503 ( 0.000 2.509 3.047) 3.947 15.014 ( 0.000 1.532 0.571) 1.635 15.133 ( 0.000 -3.195 -0.532) 3.240 15.221 ( 0.000 0.006 -0.493) 0.493 15.323 ( 0.000 -5.159 1.032) 5.261 15.497 ( 0.000 -0.771 1.925) 2.074 15.539 ( 0.000 -7.773 10.379) 12.967 15.823 ( 0.000 -0.138 -1.335) 1.342 15.888 ( 0.000 -5.617 -0.518) 5.641 18.727 ( 0.000 7.314 5.451) 9.122 19.192 ( 0.000 0.923 -7.240) 7.298 19.322 ( 0.000 24.927 -26.853) 36.639 19.463 ( 0.000 0.012 4.229) 4.229 26.721 ( 0.000 1.718 1.826) 2.507 26.948 ( 0.000 -0.294 0.210) 0.362 27.196 ( 0.000 -1.825 5.378) 5.680 27.212 ( 0.000 -8.593 0.772) 8.627 27.638 ( 0.000 0.075 2.586) 2.587 27.749 ( 0.000 -2.752 15.048) 15.298 28.970 ( 0.000 -4.979 6.799) 8.427 29.286 ( 0.000 -0.264 -1.404) 1.428 30.070 ( 0.000 3.378 9.684) 10.257 30.906 ( 0.000 -7.912 -4.652) 9.178 31.198 ( 0.000 -40.920 43.222) 59.520 32.161 ( 0.000 -27.652 7.237) 28.583 32.972 ( 0.000 6.048 -0.404) 6.061 33.101 ( 0.000 13.522 -3.013) 13.854 33.476 ( 0.000 9.351 -1.375) 9.451 34.172 ( 0.000 18.167 -25.293) 31.142 ======================= Grid point 57 (22/96) ======================= q-point: ( 0.17 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 19.262 9.686 19.200) 28.870 1.113 ( 18.430 20.462 13.103) 30.497 1.920 ( 10.683 17.321 11.955) 23.603 2.026 ( 8.092 11.735 14.468) 20.311 2.146 ( 6.459 15.387 6.627) 17.955 2.250 ( 5.840 15.037 13.456) 21.007 2.640 ( 1.704 13.252 2.417) 13.577 3.423 ( -0.630 -3.164 -1.214) 3.447 3.587 ( 10.928 -2.437 8.411) 14.003 3.691 ( -3.833 -4.154 -1.733) 5.912 4.055 ( 1.807 6.899 4.987) 8.702 4.289 ( 10.086 -11.791 1.450) 15.584 4.553 ( 1.751 -2.656 -0.549) 3.228 4.712 ( -4.320 -10.119 -3.297) 11.486 4.792 ( -5.847 -6.155 2.130) 8.752 4.991 ( 0.313 -1.939 0.565) 2.044 5.150 ( -10.998 -6.807 -0.553) 12.946 5.179 ( 1.015 7.770 -6.629) 10.264 5.564 ( 1.701 -8.145 3.201) 8.915 6.147 ( 0.506 1.033 0.185) 1.165 6.276 ( -7.902 2.587 -0.773) 8.351 6.616 ( -13.388 1.826 3.179) 13.881 6.755 ( -1.456 10.788 -2.840) 11.250 6.831 ( -12.514 2.584 0.361) 12.783 6.962 ( -18.567 -4.386 9.212) 21.185 7.257 ( 4.796 -15.442 -0.501) 16.177 7.431 ( 4.101 -7.014 -0.030) 8.125 7.739 ( 5.042 1.219 -1.602) 5.428 7.841 ( 15.758 8.455 3.523) 18.227 8.558 ( 13.721 -4.220 -17.544) 22.668 9.122 ( 6.147 -4.806 1.037) 7.871 9.405 ( 3.154 -13.283 -3.936) 14.209 9.818 ( 7.503 12.177 -5.937) 15.486 10.669 ( 0.114 0.259 -18.680) 18.682 11.197 ( -10.122 3.071 -2.139) 10.791 11.264 ( -9.629 6.388 -15.871) 19.632 12.012 ( 4.012 8.941 5.335) 11.158 12.625 ( -6.537 0.051 2.995) 7.191 13.104 ( 1.446 -5.353 4.506) 7.145 13.213 ( 3.668 -9.796 2.600) 10.779 14.064 ( 2.292 1.359 1.755) 3.191 14.164 ( 3.184 -0.448 -1.856) 3.713 14.270 ( -1.750 0.767 0.718) 2.042 14.463 ( -3.639 1.590 3.949) 5.600 15.028 ( 1.182 1.417 0.531) 1.920 15.083 ( -4.470 -0.031 -1.731) 4.794 15.171 ( -2.063 0.994 -2.494) 3.386 15.254 ( -2.615 -0.563 -0.787) 2.788 15.544 ( 0.603 -6.354 8.112) 10.322 15.618 ( 5.680 -5.079 1.116) 7.701 15.826 ( -0.229 -2.548 0.564) 2.620 15.865 ( -1.932 -5.644 0.012) 5.965 18.725 ( 0.143 8.336 4.151) 9.314 19.128 ( -11.503 18.687 -12.467) 25.238 19.239 ( 1.156 4.492 -6.538) 8.016 19.451 ( -1.269 -0.027 3.646) 3.861 26.720 ( 0.852 2.281 0.351) 2.460 26.948 ( -5.360 0.742 4.049) 6.759 27.070 ( 5.705 -1.059 -0.949) 5.880 27.466 ( 1.766 -5.560 -1.239) 5.964 27.727 ( 9.109 0.303 2.950) 9.579 28.141 ( 34.924 -11.651 -5.510) 37.226 28.910 ( -4.987 -6.931 4.351) 9.583 29.285 ( -0.354 -1.330 -1.998) 2.426 30.110 ( 4.364 2.912 9.595) 10.936 30.769 ( -10.126 -7.062 7.314) 14.349 31.381 ( 14.395 -40.873 26.085) 50.579 32.128 ( -3.536 -28.684 7.233) 29.792 32.979 ( 1.067 8.279 -0.648) 8.373 33.133 ( 3.087 12.194 -3.525) 13.063 33.446 ( -3.131 9.352 -0.756) 9.891 33.916 ( -21.243 25.777 -14.200) 36.295 ======================= Grid point 58 (23/96) ======================= q-point: ( 0.33 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 18.935 7.330 16.265) 26.016 1.535 ( 25.718 7.799 12.728) 29.737 1.879 ( -6.095 4.052 11.990) 14.047 2.091 ( -2.879 12.628 5.196) 13.955 2.193 ( 3.414 6.102 9.663) 11.928 2.579 ( -7.453 -1.119 0.429) 7.549 2.832 ( 38.752 18.450 5.509) 43.272 3.429 ( 1.625 -4.309 -0.119) 4.606 3.607 ( -3.567 -4.405 -0.709) 5.712 3.817 ( 5.322 -3.525 7.576) 9.907 4.157 ( 10.669 7.368 3.876) 13.533 4.384 ( 0.450 -9.556 -1.058) 9.625 4.545 ( -4.052 -5.322 0.703) 6.726 4.580 ( -9.107 5.436 -4.830) 11.654 4.651 ( -4.133 -12.240 3.424) 13.365 4.797 ( -17.101 0.713 -4.512) 17.700 5.122 ( 6.488 -0.413 3.028) 7.172 5.237 ( 3.030 -0.247 3.573) 4.691 5.733 ( 14.940 -2.827 3.978) 15.716 6.107 ( -3.991 11.103 -0.791) 11.825 6.157 ( -3.062 6.439 0.786) 7.173 6.329 ( -14.346 9.161 2.014) 17.141 6.481 ( -20.317 1.089 -0.410) 20.350 6.531 ( -20.563 1.283 10.622) 23.179 6.911 ( 9.502 1.717 -2.062) 9.874 7.295 ( -5.320 -11.709 -2.398) 13.083 7.556 ( 10.788 -7.715 -3.099) 13.620 7.789 ( 0.622 -3.569 -3.634) 5.131 8.189 ( 19.078 3.034 3.091) 19.564 8.690 ( -1.518 -3.484 -3.976) 5.500 9.217 ( 6.191 -8.070 -13.611) 16.991 9.446 ( -0.640 -11.157 -8.866) 14.265 10.037 ( 15.425 10.159 -5.554) 19.287 10.618 ( -8.111 3.209 -17.109) 19.204 10.994 ( -6.757 1.141 -2.379) 7.253 11.109 ( -7.650 0.772 -6.848) 10.296 12.126 ( 7.894 6.263 5.406) 11.435 12.473 ( -9.279 1.790 3.611) 10.116 13.150 ( 3.015 -5.708 4.563) 7.905 13.239 ( -0.626 -8.840 4.258) 9.832 14.113 ( 2.694 2.409 1.290) 3.837 14.213 ( -1.151 0.753 0.739) 1.562 14.250 ( 2.650 0.095 -0.617) 2.723 14.392 ( -3.682 0.167 2.749) 4.598 15.034 ( 0.655 2.310 -3.865) 4.550 15.068 ( 1.251 1.257 -3.347) 3.788 15.148 ( -0.691 0.985 -2.533) 2.805 15.207 ( -2.558 0.041 -1.151) 2.806 15.565 ( 1.914 -5.907 3.877) 7.320 15.666 ( -0.529 -3.576 -1.078) 3.772 15.803 ( -0.901 -5.945 3.766) 7.095 15.841 ( -1.105 -5.148 2.790) 5.959 18.746 ( 2.266 9.805 1.772) 10.218 18.934 ( -8.318 15.547 -4.059) 18.093 19.294 ( 3.586 0.510 -2.976) 4.688 19.416 ( -2.485 -0.199 2.010) 3.202 26.750 ( 2.186 2.743 -0.673) 3.572 26.859 ( -3.897 2.208 1.800) 4.827 27.203 ( 7.403 -1.838 -0.086) 7.629 27.429 ( -4.071 -3.530 1.122) 5.504 27.950 ( 14.439 1.294 3.248) 14.856 28.471 ( -4.349 1.787 -1.047) 4.817 28.950 ( 12.089 -15.247 -11.188) 22.445 29.259 ( -2.883 -3.991 -4.626) 6.756 30.229 ( 8.060 1.553 9.041) 12.211 30.581 ( -9.987 -3.031 9.495) 14.110 31.648 ( 13.436 -40.128 14.905) 44.866 32.030 ( -6.932 -31.588 7.649) 33.232 33.024 ( 3.895 11.611 -1.395) 12.326 33.189 ( 1.366 11.301 -5.463) 12.627 33.370 ( -3.777 11.899 1.444) 12.567 33.569 ( -13.889 24.702 -4.878) 28.756 ======================= Grid point 59 (24/96) ======================= q-point: (-0.50 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -11.722 4.142 16.012) 20.271 1.701 ( 11.722 4.142 16.012) 20.271 1.946 ( -13.856 14.976 10.603) 22.993 1.946 ( 13.856 14.976 10.603) 22.993 2.347 ( -13.159 -5.290 0.205) 14.185 2.347 ( 13.159 -5.290 0.205) 14.185 3.430 ( -11.187 -6.177 0.443) 12.787 3.430 ( 11.187 -6.177 0.443) 12.787 3.616 ( -15.192 2.374 -0.300) 15.380 3.616 ( 15.192 2.374 -0.300) 15.380 4.419 ( -3.182 0.648 2.660) 4.198 4.419 ( 3.182 0.648 2.660) 4.198 4.449 ( -9.093 7.698 1.065) 11.962 4.449 ( 9.093 7.698 1.065) 11.962 4.583 ( -2.206 -9.608 0.118) 9.859 4.583 ( 2.206 -9.608 0.118) 9.859 5.239 ( -3.932 0.421 4.386) 5.906 5.239 ( 3.932 0.421 4.386) 5.906 6.049 ( -13.181 4.531 -0.567) 13.949 6.049 ( 13.181 4.531 -0.567) 13.949 6.128 ( -5.429 8.134 0.420) 9.788 6.128 ( 5.429 8.134 0.420) 9.788 6.244 ( -6.514 3.811 7.533) 10.663 6.244 ( 6.514 3.811 7.533) 10.663 7.122 ( -11.596 -4.741 -2.699) 12.815 7.122 ( 11.596 -4.741 -2.699) 12.815 7.733 ( -6.770 -6.420 -4.335) 10.288 7.733 ( 6.770 -6.420 -4.335) 10.288 8.517 ( -15.020 -1.334 2.208) 15.240 8.517 ( 15.020 -1.334 2.208) 15.240 9.363 ( -7.591 -8.926 -14.138) 18.362 9.363 ( 7.591 -8.926 -14.138) 18.362 10.356 ( -17.491 6.510 -8.802) 20.635 10.356 ( 17.491 6.510 -8.802) 20.635 10.990 ( -4.414 -0.818 -5.464) 7.072 10.990 ( 4.414 -0.818 -5.464) 7.072 12.293 ( -9.654 3.900 4.503) 11.344 12.293 ( 9.654 3.900 4.503) 11.344 13.205 ( -2.637 -7.012 4.842) 8.920 13.205 ( 2.637 -7.012 4.842) 8.920 14.165 ( -2.884 1.892 0.935) 3.574 14.165 ( 2.884 1.892 0.935) 3.574 14.323 ( -3.950 -0.151 0.893) 4.052 14.323 ( 3.950 -0.151 0.893) 4.052 15.064 ( -1.693 1.815 -4.501) 5.140 15.064 ( 1.693 1.815 -4.501) 5.140 15.161 ( -2.084 0.686 -1.775) 2.822 15.161 ( 2.084 0.686 -1.775) 2.822 15.618 ( -3.451 -4.847 -0.210) 5.954 15.618 ( 3.451 -4.847 -0.210) 5.954 15.814 ( -1.502 -5.596 4.703) 7.462 15.814 ( 1.502 -5.596 4.703) 7.462 18.812 ( -4.931 11.751 -0.577) 12.757 18.812 ( 4.931 11.751 -0.577) 12.757 19.360 ( -3.389 -0.127 -0.341) 3.408 19.360 ( 3.389 -0.127 -0.341) 3.408 26.797 ( -2.856 2.772 0.021) 3.980 26.797 ( 2.856 2.772 0.021) 3.980 27.332 ( -6.222 -2.662 0.931) 6.832 27.332 ( 6.222 -2.662 0.931) 6.832 28.241 ( -15.811 2.434 3.014) 16.278 28.241 ( 15.811 2.434 3.014) 16.278 29.160 ( -8.255 -8.480 -9.693) 15.297 29.160 ( 8.255 -8.480 -9.693) 15.297 30.397 ( -9.649 -0.315 8.935) 13.155 30.397 ( 9.649 -0.315 8.935) 13.155 31.870 ( -10.245 -35.899 9.610) 38.549 31.870 ( 10.245 -35.899 9.610) 38.549 33.124 ( -6.374 13.221 -3.262) 15.036 33.124 ( 6.374 13.221 -3.262) 15.036 33.394 ( -5.850 16.331 -0.954) 17.374 33.394 ( 5.850 16.331 -0.954) 17.374 ======================= Grid point 63 (25/96) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 0.000 30.195 4.254) 30.493 1.499 ( 0.000 29.943 5.086) 30.372 2.182 ( 0.000 6.907 1.420) 7.052 2.221 ( 0.000 10.524 8.732) 13.675 2.547 ( 0.000 12.501 9.166) 15.501 2.603 ( 0.000 42.690 18.443) 46.503 3.140 ( 0.000 26.340 1.965) 26.413 3.367 ( 0.000 0.520 2.036) 2.102 3.402 ( 0.000 -4.970 6.950) 8.545 3.478 ( 0.000 -15.500 2.658) 15.726 3.965 ( 0.000 -5.157 6.782) 8.520 4.188 ( 0.000 1.070 7.001) 7.082 4.387 ( 0.000 -11.978 -0.271) 11.981 4.621 ( 0.000 -7.351 -5.361) 9.098 4.624 ( 0.000 -7.068 5.512) 8.963 4.859 ( 0.000 -16.263 6.875) 17.657 4.864 ( 0.000 -5.430 5.591) 7.794 5.213 ( 0.000 -23.354 2.205) 23.458 5.515 ( 0.000 8.203 -24.336) 25.681 6.041 ( 0.000 -3.820 1.224) 4.011 6.381 ( 0.000 -15.992 -0.473) 15.999 6.421 ( 0.000 -0.490 2.281) 2.333 6.877 ( 0.000 -6.533 13.456) 14.958 7.023 ( 0.000 2.060 0.364) 2.092 7.065 ( 0.000 8.357 -5.566) 10.041 7.243 ( 0.000 6.085 2.730) 6.669 7.348 ( 0.000 -4.373 -4.199) 6.063 7.755 ( 0.000 4.778 -2.913) 5.596 7.902 ( 0.000 11.044 1.117) 11.101 8.362 ( 0.000 -0.010 -17.354) 17.354 9.011 ( 0.000 -0.947 10.548) 10.591 9.180 ( 0.000 -7.443 -2.122) 7.740 10.028 ( 0.000 14.117 -7.175) 15.836 10.636 ( 0.000 -3.005 -15.915) 16.196 11.318 ( 0.000 1.855 -3.873) 4.295 11.448 ( 0.000 -1.413 -18.209) 18.264 12.241 ( 0.000 13.051 -1.313) 13.117 12.681 ( 0.000 -0.061 2.480) 2.481 12.953 ( 0.000 -6.873 4.701) 8.327 12.984 ( 0.000 -8.487 2.243) 8.779 14.055 ( 0.000 0.842 1.602) 1.810 14.115 ( 0.000 -0.903 -2.177) 2.356 14.313 ( 0.000 1.700 2.656) 3.153 14.496 ( 0.000 -2.673 7.040) 7.530 15.054 ( 0.000 2.037 -0.024) 2.037 15.082 ( 0.000 -0.558 -3.344) 3.390 15.222 ( 0.000 0.117 -0.550) 0.563 15.278 ( 0.000 -0.597 -0.061) 0.600 15.475 ( 0.000 -1.452 6.325) 6.490 15.476 ( 0.000 -1.121 2.193) 2.463 15.778 ( 0.000 -3.781 -1.447) 4.048 15.813 ( 0.000 -0.888 -1.682) 1.902 18.885 ( 0.000 7.847 4.216) 8.908 19.199 ( 0.000 -0.832 -6.413) 6.467 19.478 ( 0.000 1.863 2.882) 3.432 19.597 ( 0.000 4.637 -16.738) 17.368 26.773 ( 0.000 3.173 0.939) 3.309 26.937 ( 0.000 -0.916 -0.931) 1.305 27.088 ( 0.000 -3.355 4.099) 5.297 27.145 ( 0.000 -2.963 6.055) 6.741 27.642 ( 0.000 0.353 3.811) 3.827 27.704 ( 0.000 -1.723 12.522) 12.640 28.961 ( 0.000 3.538 5.347) 6.412 29.269 ( 0.000 -1.759 -1.789) 2.509 30.175 ( 0.000 6.661 10.130) 12.124 30.705 ( 0.000 -10.641 -2.063) 10.839 30.776 ( 0.000 -7.396 19.768) 21.106 31.578 ( 0.000 -27.542 9.909) 29.271 33.130 ( 0.000 8.503 -1.017) 8.563 33.313 ( 0.000 6.786 -4.262) 8.014 33.702 ( 0.000 11.807 -2.054) 11.984 34.287 ( 0.000 -2.290 -13.945) 14.132 ======================= Grid point 64 (26/96) ======================= q-point: ( 0.17 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 3.239 24.789 5.804) 25.664 1.620 ( 9.232 26.709 7.334) 29.196 2.138 ( -2.977 10.705 6.361) 12.803 2.247 ( 1.411 7.127 3.932) 8.261 2.508 ( -3.927 12.677 9.493) 16.317 2.777 ( 13.815 30.514 8.744) 34.619 2.976 ( -10.098 17.136 4.695) 20.437 3.321 ( -1.454 -5.958 2.057) 6.468 3.457 ( -1.765 -15.200 3.321) 15.659 3.606 ( 9.828 1.181 8.265) 12.896 4.036 ( 4.735 -9.686 5.878) 12.280 4.162 ( -1.571 -0.762 3.547) 3.954 4.337 ( -3.235 -14.453 5.157) 15.683 4.528 ( 2.321 -2.208 -1.594) 3.578 4.774 ( 2.411 1.113 0.245) 2.667 4.873 ( 3.282 -11.546 4.208) 12.720 4.924 ( 6.282 -4.220 0.986) 7.632 5.338 ( 12.657 -13.653 4.081) 19.059 5.437 ( -6.853 10.082 -18.597) 22.236 6.136 ( 8.398 -3.299 -0.042) 9.023 6.303 ( -3.892 -2.427 0.835) 4.662 6.561 ( 8.581 -12.230 0.446) 14.947 6.715 ( -12.256 -2.972 14.539) 19.246 6.853 ( -15.665 1.489 -0.338) 15.739 7.067 ( -2.679 11.643 -5.029) 12.963 7.123 ( -12.545 1.067 -2.552) 12.847 7.338 ( 2.373 -2.654 0.245) 3.568 7.738 ( -2.862 -1.984 -2.392) 4.224 8.045 ( 12.931 11.131 -0.294) 17.065 8.492 ( 10.577 -2.464 -16.786) 19.993 9.032 ( 1.168 -3.822 6.716) 7.815 9.172 ( -0.027 -9.318 -2.312) 9.601 10.094 ( 6.890 13.759 -6.576) 16.734 10.653 ( 1.726 -2.263 -15.962) 16.214 11.230 ( -9.228 1.243 -2.704) 9.696 11.324 ( -11.702 -0.294 -16.523) 20.249 12.246 ( 1.255 12.572 1.463) 12.719 12.637 ( -4.358 1.354 3.017) 5.471 12.964 ( 1.289 -7.482 3.743) 8.464 13.009 ( 1.740 -9.888 2.810) 10.425 14.091 ( 3.505 1.205 1.218) 3.902 14.151 ( 3.489 -0.745 -1.464) 3.856 14.296 ( -1.643 1.771 2.310) 3.342 14.460 ( -3.435 -1.802 6.220) 7.331 15.064 ( 0.968 1.914 0.032) 2.145 15.086 ( 0.409 0.506 -3.782) 3.837 15.195 ( -2.258 1.077 -1.037) 2.708 15.243 ( -2.386 -0.381 -0.302) 2.435 15.445 ( -0.191 -2.097 5.629) 6.010 15.556 ( 4.276 -2.738 2.387) 5.610 15.740 ( -3.761 -3.856 -0.837) 5.451 15.801 ( -1.384 -1.730 -1.332) 2.585 18.901 ( 1.729 8.451 3.256) 9.220 19.216 ( 1.562 -0.638 -5.833) 6.072 19.454 ( -4.610 3.282 -2.253) 6.091 19.477 ( -8.351 5.765 -6.933) 12.290 26.787 ( 1.867 4.145 -0.396) 4.564 26.972 ( -1.540 1.495 3.079) 3.753 27.040 ( 3.908 -1.676 -0.560) 4.289 27.310 ( 5.741 -8.599 0.245) 10.342 27.739 ( 10.112 0.850 4.117) 10.951 27.923 ( 24.995 -7.732 8.635) 27.552 28.885 ( -7.977 3.547 5.012) 10.066 29.243 ( -2.879 -3.022 -2.292) 4.762 30.205 ( 3.265 6.231 9.996) 12.223 30.645 ( -4.639 -3.992 5.310) 8.102 30.858 ( 7.015 -15.296 13.061) 21.302 31.533 ( -4.761 -27.676 10.002) 29.810 33.156 ( 2.804 8.905 -1.182) 9.411 33.343 ( 3.113 7.122 -4.748) 9.108 33.664 ( -3.829 11.076 -1.464) 11.811 34.154 ( -12.766 1.583 -11.315) 17.132 ======================= Grid point 65 (27/96) ======================= q-point: ( 0.33 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 16.741 12.472 6.753) 21.941 1.803 ( 9.298 17.716 8.235) 21.637 2.096 ( -0.660 14.933 9.262) 17.585 2.270 ( 1.404 4.750 1.517) 5.180 2.411 ( -5.923 8.294 7.762) 12.811 2.654 ( -18.626 11.045 2.731) 21.826 3.111 ( 11.385 3.535 0.819) 11.949 3.303 ( -1.573 -6.976 5.091) 8.778 3.438 ( 2.850 -9.480 5.210) 11.186 3.661 ( -2.116 -10.856 5.006) 12.141 4.084 ( 0.930 -15.674 5.841) 16.753 4.134 ( -2.077 -17.198 6.112) 18.369 4.419 ( 10.968 8.540 3.044) 14.230 4.638 ( 6.625 6.619 -2.554) 9.707 4.780 ( -0.351 10.103 -0.723) 10.135 4.850 ( -6.069 1.725 0.206) 6.313 5.119 ( 12.426 3.483 -1.743) 13.022 5.342 ( -0.997 8.845 -4.454) 9.953 5.655 ( 20.086 -5.328 3.616) 21.093 6.200 ( -5.013 -1.378 -1.662) 5.458 6.301 ( 4.631 4.866 2.052) 7.024 6.482 ( -15.273 1.814 4.255) 15.958 6.513 ( -15.476 0.356 6.230) 16.686 6.593 ( -7.777 5.396 -0.759) 9.496 6.990 ( -1.297 -5.240 -1.837) 5.702 6.993 ( -1.293 -0.226 -2.762) 3.058 7.399 ( 5.171 -7.328 -1.235) 9.053 7.673 ( -4.518 -7.777 -3.604) 9.689 8.299 ( 13.432 7.476 0.283) 15.375 8.628 ( 1.343 -1.738 -7.693) 8.001 9.038 ( 1.837 -8.676 -6.509) 11.001 9.190 ( 0.174 -12.713 -4.361) 13.441 10.274 ( 11.992 11.911 -5.724) 17.845 10.678 ( -0.984 1.775 -15.714) 15.844 11.000 ( -11.899 -0.183 -1.760) 12.030 11.106 ( -10.433 -1.263 -10.720) 15.012 12.302 ( 4.677 10.348 3.756) 11.961 12.533 ( -6.401 4.195 3.768) 8.531 12.994 ( 1.641 -8.970 3.408) 9.735 13.029 ( 0.250 -10.799 3.443) 11.337 14.161 ( 3.403 2.050 1.308) 4.182 14.224 ( 3.158 0.027 0.439) 3.188 14.264 ( -0.815 1.535 1.186) 2.104 14.387 ( -3.968 -0.820 3.822) 5.570 15.083 ( 1.045 2.030 -0.419) 2.321 15.100 ( 0.906 1.538 -4.119) 4.489 15.169 ( -0.520 0.851 -1.491) 1.793 15.203 ( -1.924 -0.533 -0.709) 2.118 15.460 ( 1.896 -2.678 4.332) 5.434 15.603 ( -1.493 -2.133 -0.445) 2.642 15.672 ( -0.861 -5.606 2.493) 6.196 15.763 ( -2.588 -3.238 -0.110) 4.147 18.955 ( 4.171 9.706 0.938) 10.606 19.205 ( -6.409 7.678 -6.115) 11.723 19.311 ( -1.155 2.050 -3.136) 3.921 19.414 ( -3.121 0.090 1.318) 3.389 26.832 ( 2.605 5.012 -1.200) 5.775 26.926 ( -2.503 4.192 1.808) 5.206 27.147 ( 6.099 -3.510 -0.364) 7.047 27.324 ( -2.414 -6.483 0.294) 6.924 27.992 ( 16.493 2.898 3.942) 17.203 28.445 ( 20.969 -8.491 -2.870) 22.805 28.699 ( -7.228 -2.128 4.080) 8.568 29.149 ( -7.749 -6.749 -3.758) 10.942 30.293 ( 5.985 4.895 9.484) 12.237 30.543 ( -6.223 0.244 7.522) 9.766 31.020 ( 10.078 -22.196 11.867) 27.112 31.405 ( -8.713 -27.691 10.407) 30.839 33.236 ( 5.686 9.854 -1.791) 11.517 33.412 ( 2.736 9.228 -6.499) 11.614 33.582 ( -3.111 8.506 0.396) 9.066 33.883 ( -14.525 6.393 -6.895) 17.303 ======================= Grid point 66 (28/96) ======================= q-point: (-0.50 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -6.204 10.778 8.369) 14.990 1.860 ( 6.204 10.778 8.369) 14.990 2.240 ( -16.391 7.511 3.025) 18.281 2.240 ( 16.391 7.511 3.025) 18.281 2.332 ( -5.272 8.864 6.806) 12.356 2.332 ( 5.272 8.864 6.806) 12.356 3.237 ( -4.493 -12.645 1.990) 13.566 3.237 ( 4.493 -12.645 1.990) 13.566 3.574 ( -7.494 -5.445 3.802) 10.013 3.574 ( 7.494 -5.445 3.802) 10.013 4.099 ( -1.330 -18.937 5.891) 19.877 4.099 ( 1.330 -18.937 5.891) 19.877 4.639 ( -10.723 9.645 0.753) 14.442 4.639 ( 10.723 9.645 0.753) 14.442 4.757 ( -3.375 12.503 -2.586) 13.206 4.757 ( 3.375 12.503 -2.586) 13.206 5.319 ( -6.276 8.908 0.981) 10.941 5.319 ( 6.276 8.908 0.981) 10.941 6.042 ( -18.605 -3.318 0.079) 18.899 6.042 ( 18.605 -3.318 0.079) 18.899 6.236 ( -4.394 2.633 3.287) 6.087 6.236 ( 4.394 2.633 3.287) 6.087 6.461 ( -4.950 12.091 1.918) 13.205 6.461 ( 4.950 12.091 1.918) 13.205 6.990 ( -1.640 -6.524 -1.779) 6.958 6.990 ( 1.640 -6.524 -1.779) 6.958 7.546 ( -8.897 -11.274 -3.322) 14.740 7.546 ( 8.897 -11.274 -3.322) 14.740 8.526 ( -10.303 3.001 0.149) 10.733 8.526 ( 10.303 3.001 0.149) 10.733 9.132 ( -5.949 -12.620 -10.413) 17.409 9.132 ( 5.950 -12.620 -10.413) 17.409 10.522 ( -13.609 8.904 -7.899) 18.080 10.522 ( 13.609 8.904 -7.899) 18.080 10.950 ( -5.327 -3.239 -6.997) 9.371 10.950 ( 5.327 -3.239 -6.997) 9.371 12.410 ( -6.517 7.324 4.140) 10.642 12.410 ( 6.517 7.324 4.140) 10.642 13.020 ( -1.063 -10.270 3.602) 10.935 13.020 ( 1.063 -10.270 3.602) 10.935 14.212 ( -2.160 2.455 1.754) 3.711 14.212 ( 2.160 2.455 1.754) 3.711 14.316 ( -3.839 -0.585 1.291) 4.092 14.316 ( 3.839 -0.585 1.291) 4.092 15.103 ( -0.778 1.743 -1.933) 2.717 15.103 ( 0.778 1.743 -1.933) 2.717 15.174 ( -1.073 0.182 -1.781) 2.087 15.174 ( 1.073 0.182 -1.781) 2.087 15.522 ( -4.636 -2.738 1.537) 5.599 15.522 ( 4.636 -2.738 1.537) 5.599 15.710 ( -2.952 -4.693 1.655) 5.786 15.710 ( 2.952 -4.693 1.655) 5.786 19.059 ( -7.073 10.735 -2.188) 13.041 19.059 ( 7.073 10.735 -2.188) 13.041 19.352 ( -3.312 -0.800 -0.624) 3.464 19.352 ( 3.312 -0.800 -0.624) 3.464 26.879 ( -2.499 5.079 -0.200) 5.664 26.879 ( 2.499 5.079 -0.200) 5.664 27.252 ( -4.952 -4.949 0.352) 7.010 27.252 ( 4.952 -4.949 0.352) 7.010 28.320 ( -17.468 5.323 3.010) 18.508 28.320 ( 17.468 5.323 3.010) 18.508 28.933 ( -15.954 -12.611 -4.829) 20.902 28.933 ( 15.954 -12.611 -4.829) 20.902 30.418 ( -7.012 2.866 8.582) 11.446 30.418 ( 7.012 2.866 8.582) 11.446 31.220 ( -10.809 -26.342 11.176) 30.588 31.220 ( 10.809 -26.342 11.176) 30.588 33.358 ( -6.710 10.845 -3.543) 13.236 33.358 ( 6.710 10.845 -3.543) 13.236 33.653 ( -9.532 7.025 -3.095) 12.239 33.653 ( 9.532 7.025 -3.095) 12.239 ======================= Grid point 70 (29/96) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 0.000 26.701 -1.405) 26.738 2.046 ( 0.000 19.806 1.094) 19.836 2.254 ( 0.000 -0.288 1.973) 1.994 2.431 ( 0.000 2.779 -1.093) 2.986 2.586 ( 0.000 -1.289 9.146) 9.236 2.955 ( 0.000 -24.475 3.805) 24.769 3.372 ( 0.000 8.903 6.753) 11.175 3.383 ( 0.000 25.761 9.386) 27.418 3.491 ( 0.000 6.181 11.686) 13.220 3.806 ( 0.000 2.573 4.282) 4.995 3.863 ( 0.000 16.308 5.256) 17.134 4.102 ( 0.000 -6.272 4.967) 8.001 4.158 ( 0.000 -5.843 2.602) 6.396 4.434 ( 0.000 -16.050 -1.457) 16.116 4.515 ( 0.000 -2.652 4.426) 5.160 4.618 ( 0.000 -9.153 3.996) 9.987 4.739 ( 0.000 -12.670 4.998) 13.620 4.755 ( 0.000 -5.087 5.521) 7.507 5.654 ( 0.000 6.803 -15.521) 16.946 5.852 ( 0.000 -12.413 -8.299) 14.932 6.230 ( 0.000 0.937 7.168) 7.229 6.319 ( 0.000 -6.467 8.194) 10.439 6.943 ( 0.000 8.476 2.642) 8.878 7.078 ( 0.000 -3.345 -0.244) 3.354 7.082 ( 0.000 3.664 -0.852) 3.762 7.202 ( 0.000 -7.804 -3.230) 8.447 7.495 ( 0.000 12.666 -2.328) 12.878 7.706 ( 0.000 -7.147 -2.600) 7.605 8.163 ( 0.000 11.205 -7.279) 13.362 8.324 ( 0.000 -4.403 -13.425) 14.128 9.007 ( 0.000 0.954 6.666) 6.734 9.060 ( 0.000 -4.225 1.322) 4.427 10.308 ( 0.000 12.504 -8.810) 15.295 10.524 ( 0.000 -8.039 -12.165) 14.582 11.357 ( 0.000 2.010 -8.662) 8.892 11.403 ( 0.000 -2.398 -13.270) 13.485 12.498 ( 0.000 11.669 -1.084) 11.720 12.676 ( 0.000 -2.723 -0.250) 2.734 12.813 ( 0.000 -5.530 5.013) 7.464 12.833 ( 0.000 -4.602 4.984) 6.783 14.074 ( 0.000 1.005 0.192) 1.023 14.095 ( 0.000 -1.019 -1.179) 1.558 14.359 ( 0.000 2.769 4.795) 5.537 14.426 ( 0.000 -3.595 6.805) 7.697 15.088 ( 0.000 1.002 -1.760) 2.026 15.090 ( 0.000 0.594 -4.054) 4.097 15.231 ( 0.000 0.862 0.097) 0.867 15.258 ( 0.000 -1.471 0.797) 1.673 15.452 ( 0.000 -0.516 4.173) 4.204 15.456 ( 0.000 -0.730 2.767) 2.861 15.752 ( 0.000 0.841 -2.229) 2.382 15.785 ( 0.000 -1.776 -2.085) 2.739 19.036 ( 0.000 6.521 0.870) 6.579 19.147 ( 0.000 -4.090 -2.932) 5.033 19.539 ( 0.000 3.673 -1.518) 3.975 19.608 ( 0.000 -2.278 -7.492) 7.831 26.844 ( 0.000 3.495 -0.607) 3.547 26.905 ( 0.000 -2.245 -1.726) 2.832 27.058 ( 0.000 0.135 4.911) 4.912 27.086 ( 0.000 -2.388 6.231) 6.673 27.654 ( 0.000 0.773 5.979) 6.029 27.674 ( 0.000 -1.228 9.007) 9.090 29.077 ( 0.000 6.684 1.212) 6.793 29.202 ( 0.000 -4.857 -1.338) 5.038 30.329 ( 0.000 7.852 8.705) 11.723 30.498 ( 0.000 -8.972 3.039) 9.473 30.779 ( 0.000 7.410 10.616) 12.946 31.073 ( 0.000 -20.352 10.380) 22.846 33.292 ( 0.000 6.478 -1.881) 6.745 33.373 ( 0.000 -0.862 -3.057) 3.176 33.947 ( 0.000 11.634 -4.821) 12.594 34.163 ( 0.000 -8.806 -8.258) 12.072 ======================= Grid point 71 (30/96) ======================= q-point: ( 0.17 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -4.212 23.270 -1.031) 23.670 2.145 ( 4.182 22.408 3.274) 23.028 2.238 ( -0.726 -5.357 0.121) 5.408 2.424 ( -0.871 6.729 0.142) 6.787 2.581 ( -0.950 -0.771 8.962) 9.045 2.921 ( -3.030 -21.462 3.103) 21.896 3.215 ( -12.971 13.270 2.887) 18.780 3.450 ( 1.663 19.998 11.747) 23.252 3.474 ( -8.409 15.739 8.594) 19.806 3.498 ( -14.078 -11.810 4.184) 18.846 3.815 ( -2.917 -13.145 9.339) 16.387 3.871 ( -12.810 -19.454 5.913) 24.032 4.396 ( 16.046 13.357 1.698) 20.947 4.601 ( 15.074 7.776 2.414) 17.132 4.659 ( 6.736 -8.321 0.579) 10.721 4.803 ( 8.825 -6.957 4.056) 11.947 4.853 ( 19.792 3.514 -0.605) 20.110 5.029 ( 24.096 -13.867 5.053) 28.257 5.626 ( -2.462 10.049 -12.651) 16.343 5.908 ( 6.093 -16.509 -6.982) 18.932 6.258 ( 2.996 0.750 6.551) 7.243 6.331 ( 1.700 -6.488 8.081) 10.502 6.812 ( -11.326 5.936 2.794) 13.089 6.873 ( -15.455 -0.158 -0.309) 15.459 7.113 ( -3.766 1.865 -1.954) 4.634 7.190 ( -0.154 -3.915 -3.149) 5.027 7.427 ( -7.182 11.416 -2.336) 13.689 7.637 ( -6.897 -7.879 -3.162) 10.939 8.273 ( 10.093 10.038 -6.545) 15.668 8.428 ( 9.422 -4.719 -13.374) 17.026 8.979 ( -3.025 -0.720 5.962) 6.724 9.022 ( -3.441 -4.930 0.570) 6.039 10.362 ( 5.493 11.696 -8.237) 15.324 10.559 ( 3.656 -7.117 -11.811) 14.266 11.258 ( -10.111 1.532 -7.653) 12.773 11.294 ( -10.711 -1.916 -12.426) 16.516 12.503 ( 0.771 11.977 0.305) 12.006 12.671 ( -0.618 -0.096 0.906) 1.100 12.799 ( -1.098 -6.944 4.281) 8.231 12.833 ( -0.227 -6.261 4.771) 7.875 14.114 ( 3.886 1.044 0.205) 4.029 14.134 ( 3.780 -0.900 -0.797) 3.966 14.343 ( -1.536 2.755 4.234) 5.280 14.405 ( -2.025 -3.095 5.911) 6.972 15.097 ( 0.874 0.997 -1.526) 2.022 15.100 ( 0.999 0.540 -3.395) 3.580 15.211 ( -1.879 0.692 0.016) 2.003 15.231 ( -2.398 -0.989 0.722) 2.692 15.441 ( 0.230 1.457 3.535) 3.830 15.493 ( 2.380 -3.181 2.796) 4.858 15.717 ( -3.594 1.201 -1.993) 4.282 15.759 ( -2.661 -2.313 -1.869) 3.990 19.059 ( 2.389 6.608 0.508) 7.045 19.168 ( 2.161 -3.904 -2.718) 5.225 19.502 ( -3.748 2.467 -1.536) 4.743 19.537 ( -6.794 -0.203 -6.023) 9.082 26.882 ( 3.463 4.781 -1.665) 6.134 26.967 ( 4.950 -2.924 -1.960) 6.074 27.044 ( -0.343 3.133 4.019) 5.107 27.147 ( 3.762 -6.691 3.251) 8.336 27.764 ( 11.904 1.699 6.097) 13.482 27.814 ( 15.781 -3.409 8.572) 18.280 29.007 ( -7.458 7.298 1.120) 10.495 29.151 ( -5.602 -6.006 -1.570) 8.362 30.356 ( 2.803 7.967 8.786) 12.187 30.529 ( 3.151 -8.645 3.811) 9.960 30.751 ( -2.824 6.196 10.776) 12.747 31.032 ( -4.244 -19.900 10.358) 22.832 33.324 ( 3.429 6.695 -1.960) 7.773 33.407 ( 3.681 -0.845 -3.210) 4.957 33.892 ( -5.652 10.697 -4.385) 12.869 34.083 ( -8.057 -7.163 -7.425) 13.090 ======================= Grid point 72 (31/96) ======================= q-point: ( 0.33 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 6.042 17.654 0.333) 18.663 2.163 ( -0.628 9.806 0.870) 9.864 2.267 ( 1.800 -0.870 1.828) 2.709 2.397 ( -2.604 5.496 0.451) 6.099 2.529 ( -3.764 10.510 9.697) 14.787 2.838 ( -8.998 -4.655 0.543) 10.146 2.970 ( -9.185 -6.077 4.880) 12.047 3.057 ( -16.897 -10.420 4.946) 20.459 3.492 ( 2.752 9.595 9.389) 13.704 3.523 ( 1.758 2.969 7.852) 8.576 3.741 ( -1.611 -16.363 7.664) 18.140 3.781 ( -2.265 -15.652 9.632) 18.517 4.640 ( 10.850 10.071 1.615) 14.891 4.765 ( 6.888 -0.033 0.349) 6.897 4.878 ( 7.180 4.149 -1.381) 8.407 4.925 ( 2.496 1.842 1.075) 3.283 5.266 ( 22.680 10.009 -4.039) 25.117 5.479 ( 20.870 -8.332 -0.840) 22.487 5.634 ( 6.806 16.670 -1.581) 18.075 6.037 ( 3.486 -17.150 -4.844) 18.159 6.318 ( 2.912 0.780 5.019) 5.855 6.393 ( 3.484 -6.001 5.142) 8.636 6.550 ( -15.859 2.457 0.907) 16.074 6.596 ( -10.336 -2.087 2.344) 10.802 7.012 ( -4.381 9.460 -1.514) 10.535 7.168 ( -4.574 3.460 -4.204) 7.111 7.262 ( -6.642 -0.372 -0.217) 6.656 7.470 ( -10.476 -11.583 -3.327) 15.968 8.480 ( 11.014 9.144 -4.856) 15.116 8.608 ( 8.402 -2.026 -11.240) 14.179 8.893 ( -5.264 -3.615 0.626) 6.416 8.956 ( -3.896 -8.773 -1.635) 9.737 10.503 ( 9.493 9.826 -6.890) 15.302 10.656 ( 6.601 -4.417 -10.937) 13.516 11.011 ( -14.896 1.687 -5.862) 16.097 11.062 ( -12.870 -2.731 -9.966) 16.505 12.533 ( 2.375 11.533 2.426) 12.023 12.644 ( -2.442 5.959 3.161) 7.174 12.787 ( 0.096 -10.511 3.031) 10.940 12.821 ( -0.971 -8.797 4.103) 9.755 14.195 ( 4.211 1.297 0.746) 4.469 14.216 ( 4.493 -0.735 0.289) 4.562 14.308 ( -2.106 2.478 3.010) 4.431 14.357 ( -3.030 -2.064 3.902) 5.354 15.116 ( 1.131 1.156 -0.845) 1.824 15.122 ( 1.204 0.582 -2.093) 2.484 15.176 ( -1.461 0.051 -0.430) 1.524 15.186 ( -2.085 -0.914 0.397) 2.311 15.464 ( 2.303 2.623 2.345) 4.205 15.543 ( 3.089 -4.417 1.769) 5.672 15.629 ( -5.410 1.921 -1.110) 5.847 15.692 ( -4.208 -3.544 -1.079) 5.607 19.125 ( 4.752 6.619 -0.500) 8.164 19.225 ( 3.757 -2.919 -2.306) 5.287 19.387 ( -8.195 2.950 -3.803) 9.504 19.416 ( -5.362 -0.225 -1.172) 5.493 26.947 ( 3.222 5.843 -1.642) 6.871 27.031 ( -0.688 5.915 1.507) 6.143 27.060 ( 4.167 -4.707 -0.895) 6.350 27.175 ( -0.752 -7.501 0.610) 7.563 28.075 ( 20.270 5.373 4.662) 21.482 28.226 ( 25.387 -9.486 3.741) 27.358 28.800 ( -14.657 8.278 1.298) 16.883 28.984 ( -12.558 -8.935 -1.741) 15.510 30.430 ( 4.989 8.220 8.946) 13.133 30.592 ( 1.460 -0.331 5.571) 5.769 30.699 ( -0.556 -4.449 11.056) 11.931 30.923 ( -7.112 -18.517 10.195) 22.303 33.419 ( 6.740 7.328 -2.289) 10.216 33.509 ( 7.081 -0.488 -3.827) 8.064 33.752 ( -8.756 8.365 -3.258) 12.540 33.893 ( -11.441 -4.219 -5.654) 13.441 ======================= Grid point 73 (32/96) ======================= q-point: (-0.50 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -8.581 12.247 1.329) 15.013 2.111 ( 8.581 12.247 1.329) 15.013 2.287 ( -4.083 -2.733 -0.002) 4.913 2.287 ( 4.083 -2.733 -0.002) 4.913 2.592 ( -10.712 13.947 7.038) 18.942 2.592 ( 10.712 13.947 7.038) 18.942 2.921 ( -1.484 -16.968 4.335) 17.575 2.921 ( 1.484 -16.968 4.335) 17.575 3.532 ( -0.977 4.241 7.741) 8.880 3.532 ( 0.977 4.241 7.741) 8.880 3.745 ( -1.455 -14.819 8.549) 17.170 3.745 ( 1.455 -14.819 8.549) 17.170 4.820 ( -7.956 7.168 0.209) 10.711 4.820 ( 7.956 7.168 0.209) 10.711 4.898 ( -5.852 0.618 -0.831) 5.943 4.898 ( 5.852 0.618 -0.831) 5.943 5.609 ( -9.297 16.889 -3.505) 19.595 5.609 ( 9.297 16.889 -3.505) 19.595 5.904 ( -15.771 -10.440 -2.825) 19.123 5.904 ( 15.771 -10.440 -2.825) 19.123 6.324 ( -0.541 6.599 4.018) 7.745 6.324 ( 0.541 6.599 4.018) 7.745 6.501 ( -3.029 -8.185 3.081) 9.255 6.501 ( 3.029 -8.185 3.081) 9.255 7.022 ( -6.080 10.677 -1.526) 12.381 7.022 ( 6.080 10.677 -1.526) 12.381 7.288 ( -7.201 -13.327 -2.197) 15.306 7.288 ( 7.201 -13.327 -2.197) 15.306 8.649 ( -5.654 8.719 -3.142) 10.857 8.649 ( 5.654 8.719 -3.142) 10.857 8.870 ( -4.155 -12.194 -6.702) 14.522 8.870 ( 4.155 -12.194 -6.702) 14.522 10.703 ( -9.879 8.296 -7.505) 14.925 10.703 ( 9.879 8.296 -7.505) 14.925 10.853 ( -7.033 -6.109 -7.489) 11.953 10.853 ( 7.033 -6.109 -7.489) 11.953 12.587 ( -3.277 9.676 3.595) 10.830 12.587 ( 3.277 9.676 3.595) 10.830 12.800 ( -1.114 -10.732 3.255) 11.270 12.800 ( 1.114 -10.732 3.255) 11.270 14.260 ( -2.494 2.116 1.960) 3.813 14.260 ( 2.494 2.116 1.960) 3.813 14.296 ( -3.319 -1.359 1.717) 3.976 14.296 ( 3.319 -1.359 1.717) 3.976 15.134 ( -0.384 1.383 -0.552) 1.537 15.134 ( 0.384 1.383 -0.552) 1.537 15.162 ( -0.166 -1.170 -0.666) 1.356 15.162 ( 0.166 -1.170 -0.666) 1.356 15.529 ( -4.620 2.926 0.400) 5.484 15.529 ( 4.620 2.926 0.400) 5.484 15.613 ( -4.065 -4.666 0.361) 6.199 15.613 ( 4.065 -4.666 0.361) 6.199 19.232 ( -6.258 6.074 -2.175) 8.988 19.232 ( 6.258 6.074 -2.175) 8.988 19.319 ( -4.376 -2.641 -1.335) 5.283 19.319 ( 4.376 -2.641 -1.335) 5.283 27.000 ( -2.368 6.396 -0.349) 6.829 27.000 ( 2.368 6.396 -0.349) 6.829 27.134 ( -3.338 -6.337 -0.178) 7.165 27.134 ( 3.338 -6.337 -0.178) 7.165 28.464 ( -19.681 8.637 2.231) 21.608 28.464 ( 19.681 8.637 2.231) 21.608 28.675 ( -20.233 -11.715 -0.258) 23.381 28.675 ( 20.233 -11.715 -0.258) 23.381 30.532 ( -5.511 8.539 8.646) 13.343 30.532 ( 5.511 8.539 8.646) 13.343 30.784 ( -7.265 -16.266 9.763) 20.314 30.784 ( 7.265 -16.266 9.763) 20.314 33.565 ( -7.821 8.640 -3.494) 12.167 33.565 ( 7.821 8.640 -3.494) 12.167 33.689 ( -9.088 -2.809 -3.560) 10.157 33.689 ( 9.088 -2.809 -3.560) 10.157 ======================= Grid point 98 (33/96) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 0.000 0.000 30.035) 30.035 1.414 ( 0.000 0.000 30.468) 30.468 1.978 ( 0.000 0.000 1.063) 1.063 1.979 ( 0.000 0.000 -0.645) 0.645 2.000 ( 0.000 0.000 45.583) 45.583 2.434 ( 0.000 0.000 2.845) 2.845 2.811 ( 0.000 0.000 36.703) 36.703 3.398 ( 0.000 0.000 -3.536) 3.536 3.605 ( 0.000 0.000 -5.627) 5.627 3.796 ( 0.000 0.000 8.595) 8.595 4.055 ( 0.000 0.000 8.052) 8.052 4.278 ( 0.000 0.000 8.727) 8.727 4.539 ( 0.000 0.000 -15.844) 15.844 4.628 ( 0.000 0.000 4.688) 4.688 4.976 ( 0.000 0.000 -2.249) 2.249 5.046 ( 0.000 0.000 0.192) 0.192 5.158 ( 0.000 0.000 11.714) 11.714 5.571 ( 0.000 0.000 3.276) 3.276 5.785 ( 0.000 0.000 11.265) 11.265 6.196 ( 0.000 0.000 -1.466) 1.466 6.290 ( 0.000 0.000 -6.862) 6.862 6.511 ( 0.000 0.000 -1.724) 1.724 6.800 ( 0.000 0.000 -4.187) 4.187 6.951 ( 0.000 0.000 -0.867) 0.867 7.226 ( 0.000 0.000 -6.800) 6.800 7.279 ( 0.000 0.000 -0.882) 0.882 7.420 ( 0.000 0.000 -4.994) 4.994 7.557 ( 0.000 0.000 -5.090) 5.090 7.854 ( 0.000 0.000 12.086) 12.086 7.966 ( 0.000 0.000 -16.133) 16.133 9.233 ( 0.000 0.000 5.512) 5.512 9.259 ( 0.000 0.000 -22.338) 22.338 9.501 ( 0.000 0.000 -1.639) 1.639 10.191 ( 0.000 0.000 -24.853) 24.853 10.877 ( 0.000 0.000 -13.194) 13.194 11.224 ( 0.000 0.000 -4.678) 4.678 12.069 ( 0.000 0.000 10.486) 10.486 12.759 ( 0.000 0.000 2.246) 2.246 13.243 ( 0.000 0.000 4.360) 4.360 13.318 ( 0.000 0.000 3.194) 3.194 14.070 ( 0.000 0.000 -2.706) 2.706 14.088 ( 0.000 0.000 1.464) 1.464 14.306 ( 0.000 0.000 2.513) 2.513 14.508 ( 0.000 0.000 2.554) 2.554 15.031 ( 0.000 0.000 2.596) 2.596 15.110 ( 0.000 0.000 -1.669) 1.669 15.217 ( 0.000 0.000 0.267) 0.267 15.411 ( 0.000 0.000 1.050) 1.050 15.546 ( 0.000 0.000 1.717) 1.717 15.792 ( 0.000 0.000 -1.653) 1.653 15.801 ( 0.000 0.000 -1.768) 1.768 15.933 ( 0.000 0.000 -1.720) 1.720 18.566 ( 0.000 0.000 1.351) 1.351 18.959 ( 0.000 0.000 5.642) 5.642 19.042 ( 0.000 0.000 -6.108) 6.108 19.517 ( 0.000 0.000 0.822) 0.822 26.764 ( 0.000 0.000 3.769) 3.769 26.959 ( 0.000 0.000 0.118) 0.118 27.191 ( 0.000 0.000 -5.890) 5.890 27.337 ( 0.000 0.000 5.418) 5.418 27.716 ( 0.000 0.000 5.646) 5.646 28.020 ( 0.000 0.000 8.978) 8.978 28.986 ( 0.000 0.000 -4.883) 4.883 29.222 ( 0.000 0.000 -5.720) 5.720 30.297 ( 0.000 0.000 15.060) 15.060 30.895 ( 0.000 0.000 -2.882) 2.882 32.470 ( 0.000 0.000 2.845) 2.845 32.722 ( 0.000 0.000 7.271) 7.271 32.822 ( 0.000 0.000 -0.290) 0.290 32.927 ( 0.000 0.000 0.976) 0.976 33.297 ( 0.000 0.000 -4.186) 4.186 33.403 ( 0.000 0.000 -1.577) 1.577 ======================= Grid point 99 (34/96) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 15.272 0.000 19.281) 24.597 1.530 ( 11.315 0.000 25.694) 28.075 1.977 ( -0.145 0.000 1.266) 1.274 2.007 ( 3.268 0.000 -1.062) 3.437 2.325 ( 27.950 0.000 40.102) 48.881 2.535 ( 8.567 0.000 2.448) 8.910 2.751 ( -5.850 0.000 34.949) 35.435 3.393 ( 0.022 0.000 -3.146) 3.146 3.604 ( -0.181 0.000 -4.775) 4.779 3.868 ( 7.887 0.000 9.657) 12.468 4.076 ( 2.782 0.000 8.272) 8.727 4.337 ( -0.316 0.000 -3.594) 3.608 4.528 ( 1.507 0.000 -8.762) 8.890 4.640 ( 1.133 0.000 4.886) 5.016 4.946 ( -3.392 0.000 -1.553) 3.731 5.019 ( -2.864 0.000 0.946) 3.016 5.147 ( -0.937 0.000 9.981) 10.025 5.483 ( -6.974 0.000 3.783) 7.934 5.827 ( 4.707 0.000 12.789) 13.628 6.062 ( -11.220 0.000 -3.519) 11.759 6.179 ( -11.147 0.000 -4.582) 12.052 6.506 ( -9.662 0.000 -4.798) 10.788 6.641 ( -1.201 0.000 0.863) 1.479 6.824 ( -13.094 0.000 1.153) 13.145 7.142 ( -11.472 0.000 3.379) 11.959 7.325 ( 9.279 0.000 -7.364) 11.846 7.480 ( -4.026 0.000 -8.223) 9.156 7.632 ( 6.030 0.000 -5.967) 8.484 7.926 ( 13.182 0.000 12.284) 18.018 8.200 ( 19.919 0.000 -17.583) 26.569 9.157 ( -5.225 0.000 -8.257) 9.771 9.315 ( 1.766 0.000 -10.242) 10.393 9.567 ( 7.076 0.000 -4.196) 8.227 10.194 ( -0.072 0.000 -24.145) 24.145 10.852 ( -2.182 0.000 -12.082) 12.277 11.175 ( -5.086 0.000 -3.819) 6.360 12.106 ( 4.006 0.000 9.817) 10.603 12.696 ( -6.381 0.000 3.200) 7.138 13.254 ( 2.129 0.000 4.712) 5.170 13.378 ( 4.329 0.000 1.968) 4.755 14.053 ( 0.084 0.000 -1.030) 1.034 14.148 ( 4.380 0.000 -0.462) 4.404 14.284 ( -2.152 0.000 2.578) 3.358 14.489 ( -1.998 0.000 2.420) 3.139 15.036 ( 0.143 0.000 1.723) 1.729 15.098 ( -2.213 0.000 -1.745) 2.818 15.137 ( -10.442 0.000 4.393) 11.328 15.242 ( -4.200 0.000 -0.620) 4.246 15.641 ( 2.180 0.000 0.746) 2.304 15.707 ( -2.632 0.000 -1.435) 2.998 15.905 ( 3.067 0.000 -1.146) 3.274 15.941 ( 2.173 0.000 -0.977) 2.382 18.582 ( 1.678 0.000 1.447) 2.216 18.884 ( -5.308 0.000 2.384) 5.819 19.124 ( 5.981 0.000 -2.660) 6.546 19.497 ( -2.145 0.000 0.559) 2.216 26.728 ( -1.852 0.000 2.477) 3.093 27.001 ( -6.152 0.000 1.104) 6.250 27.068 ( 4.665 0.000 -0.282) 4.673 27.483 ( 4.229 0.000 -2.268) 4.798 27.811 ( 9.252 0.000 5.833) 10.937 28.191 ( 17.451 0.000 2.811) 17.676 28.909 ( -7.480 0.000 -5.097) 9.052 29.212 ( -1.441 0.000 -6.691) 6.845 30.341 ( 4.674 0.000 15.017) 15.728 30.867 ( -3.075 0.000 0.136) 3.078 32.484 ( 1.563 0.000 2.761) 3.173 32.726 ( 0.500 0.000 6.879) 6.897 32.762 ( -4.622 0.000 0.716) 4.677 32.987 ( 4.651 0.000 -0.152) 4.654 33.257 ( -13.375 0.000 3.005) 13.708 33.280 ( -1.784 0.000 -3.951) 4.335 ======================= Grid point 100 (35/96) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 27.621 0.000 10.552) 29.567 1.753 ( 10.190 0.000 14.427) 17.663 1.952 ( -2.455 0.000 2.422) 3.448 2.150 ( 12.697 0.000 0.718) 12.717 2.510 ( -13.030 0.000 25.555) 28.685 2.618 ( -2.609 0.000 1.161) 2.856 2.956 ( 30.755 0.000 29.545) 42.647 3.433 ( 4.665 0.000 -1.799) 5.000 3.590 ( -1.681 0.000 -2.971) 3.413 3.998 ( -8.704 0.000 3.193) 9.272 4.192 ( 10.499 0.000 8.141) 13.285 4.196 ( 1.668 0.000 -2.360) 2.890 4.580 ( -1.115 0.000 1.752) 2.077 4.643 ( -3.073 0.000 5.504) 6.303 4.857 ( -4.478 0.000 0.542) 4.511 4.945 ( -4.786 0.000 2.508) 5.403 5.156 ( 3.452 0.000 4.804) 5.915 5.395 ( -3.366 0.000 2.764) 4.355 5.873 ( -7.403 0.000 -5.234) 9.066 5.932 ( 5.852 0.000 5.836) 8.265 5.950 ( -11.148 0.000 -4.068) 11.867 6.328 ( -0.978 0.000 7.828) 7.888 6.473 ( -19.293 0.000 1.098) 19.325 6.783 ( -3.018 0.000 6.370) 7.049 6.882 ( -4.233 0.000 3.286) 5.359 7.316 ( -11.360 0.000 -6.009) 12.852 7.515 ( 9.931 0.000 -7.913) 12.698 7.709 ( 1.206 0.000 -7.175) 7.276 8.259 ( 19.194 0.000 2.705) 19.383 8.556 ( 14.153 0.000 -11.444) 18.201 9.054 ( -4.091 0.000 -10.805) 11.554 9.282 ( -5.682 0.000 -11.214) 12.572 9.756 ( 12.518 0.000 -10.736) 16.491 10.156 ( -5.009 0.000 -22.461) 23.012 10.830 ( 0.870 0.000 -8.263) 8.308 11.047 ( -8.070 0.000 -2.684) 8.505 12.213 ( 7.279 0.000 8.149) 10.927 12.544 ( -9.228 0.000 4.704) 10.358 13.319 ( 4.295 0.000 4.866) 6.491 13.429 ( 0.435 0.000 2.747) 2.781 14.079 ( 2.563 0.000 -0.802) 2.685 14.206 ( -1.578 0.000 -1.779) 2.378 14.263 ( 3.149 0.000 3.365) 4.608 14.435 ( -3.803 0.000 2.096) 4.342 14.953 ( -4.619 0.000 0.789) 4.686 15.010 ( -3.145 0.000 -1.670) 3.561 15.113 ( 1.699 0.000 1.258) 2.114 15.197 ( -2.113 0.000 0.481) 2.167 15.630 ( -0.855 0.000 -0.811) 1.179 15.678 ( -1.970 0.000 -1.596) 2.535 15.937 ( 1.870 0.000 1.242) 2.244 15.982 ( 0.826 0.000 0.582) 1.010 18.628 ( 3.163 0.000 1.666) 3.576 18.786 ( -5.057 0.000 1.959) 5.423 19.239 ( 6.160 0.000 -1.727) 6.397 19.439 ( -4.060 0.000 -0.119) 4.062 26.724 ( 1.350 0.000 0.777) 1.558 26.869 ( -6.143 0.000 1.180) 6.256 27.219 ( 8.734 0.000 -0.467) 8.747 27.476 ( -3.720 0.000 -1.018) 3.856 28.023 ( 13.340 0.000 5.168) 14.306 28.466 ( 2.771 0.000 1.766) 3.286 28.806 ( 3.040 0.000 -10.981) 11.394 29.151 ( -5.484 0.000 -8.979) 10.521 30.464 ( 8.179 0.000 14.397) 16.558 30.776 ( -6.630 0.000 6.599) 9.354 32.527 ( 2.951 0.000 2.512) 3.875 32.674 ( -4.667 0.000 1.527) 4.910 32.749 ( 2.325 0.000 6.187) 6.610 33.002 ( -12.261 0.000 6.524) 13.889 33.077 ( 4.784 0.000 -1.304) 4.958 33.233 ( -3.260 0.000 -3.301) 4.639 ======================= Grid point 101 (36/96) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -4.773 0.000 5.532) 7.307 1.886 ( 4.773 0.000 5.532) 7.307 2.169 ( -22.850 0.000 16.764) 28.340 2.169 ( 22.850 0.000 16.764) 28.340 2.434 ( -15.106 0.000 1.895) 15.225 2.434 ( 15.106 0.000 1.895) 15.225 3.531 ( -4.658 0.000 -1.648) 4.941 3.531 ( 4.658 0.000 -1.648) 4.941 3.539 ( -30.473 0.000 9.291) 31.858 3.539 ( 30.473 0.000 9.291) 31.858 4.432 ( -13.418 0.000 5.740) 14.594 4.432 ( 13.418 0.000 5.740) 14.594 4.452 ( -15.213 0.000 6.535) 16.558 4.452 ( 15.213 0.000 6.535) 16.558 4.859 ( -3.707 0.000 2.893) 4.702 4.859 ( 3.707 0.000 2.893) 4.702 5.282 ( -8.392 0.000 0.194) 8.394 5.282 ( 8.392 0.000 0.194) 8.394 5.820 ( -2.142 0.000 -5.251) 5.671 5.820 ( 2.142 0.000 -5.251) 5.671 6.121 ( -15.960 0.000 2.009) 16.086 6.121 ( 15.960 0.000 2.009) 16.086 6.492 ( -15.318 0.000 14.992) 21.434 6.492 ( 15.318 0.000 14.992) 21.434 7.081 ( -13.361 0.000 -5.078) 14.294 7.081 ( 13.361 0.000 -5.078) 14.294 7.666 ( -5.656 0.000 -7.841) 9.668 7.666 ( 5.656 0.000 -7.841) 9.668 8.568 ( -11.763 0.000 -1.993) 11.931 8.568 ( 11.763 0.000 -1.993) 11.931 9.121 ( -9.828 0.000 -13.619) 16.794 9.121 ( 9.828 0.000 -13.619) 16.794 9.994 ( -11.823 0.000 -18.040) 21.569 9.994 ( 11.823 0.000 -18.040) 21.569 10.903 ( -6.565 0.000 -4.030) 7.704 10.903 ( 6.565 0.000 -4.030) 7.704 12.369 ( -9.179 0.000 6.279) 11.121 12.369 ( 9.179 0.000 6.279) 11.121 13.396 ( -3.475 0.000 4.483) 5.672 13.396 ( 3.475 0.000 4.483) 5.672 14.141 ( -3.851 0.000 -0.583) 3.895 14.141 ( 3.851 0.000 -0.583) 3.895 14.351 ( -4.972 0.000 1.869) 5.312 14.351 ( 4.972 0.000 1.869) 5.312 14.946 ( -2.701 0.000 -2.241) 3.510 14.946 ( 2.701 0.000 -2.241) 3.510 15.154 ( -2.408 0.000 1.373) 2.772 15.154 ( 2.408 0.000 1.373) 2.772 15.639 ( -1.665 0.000 -1.498) 2.240 15.639 ( 1.665 0.000 -1.498) 2.240 15.972 ( -1.561 0.000 1.668) 2.285 15.972 ( 1.561 0.000 1.668) 2.285 18.698 ( -4.311 0.000 1.858) 4.695 18.698 ( 4.311 0.000 1.858) 4.695 19.349 ( -5.473 0.000 -0.956) 5.556 19.349 ( 5.473 0.000 -0.956) 5.556 26.774 ( -3.966 0.000 0.518) 4.000 26.774 ( 3.966 0.000 0.518) 4.000 27.371 ( -7.196 0.000 -0.463) 7.211 27.371 ( 7.196 0.000 -0.463) 7.211 28.292 ( -14.557 0.000 4.025) 15.104 28.292 ( 14.557 0.000 4.025) 15.104 28.997 ( -11.089 0.000 -11.730) 16.142 28.997 ( 11.089 0.000 -11.730) 16.142 30.628 ( -8.881 0.000 11.922) 14.867 30.628 ( 8.881 0.000 11.922) 14.867 32.592 ( -4.021 0.000 2.103) 4.537 32.592 ( 4.021 0.000 2.103) 4.537 32.827 ( -6.469 0.000 6.226) 8.979 32.827 ( 6.469 0.000 6.226) 8.979 33.162 ( -4.264 0.000 -2.372) 4.880 33.162 ( 4.264 0.000 -2.372) 4.880 ======================= Grid point 105 (37/96) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 0.000 13.859 22.754) 26.643 1.406 ( 0.000 4.465 29.571) 29.906 2.055 ( 0.000 6.604 -0.000) 6.604 2.073 ( 0.000 8.342 0.089) 8.343 2.373 ( 0.000 29.501 34.193) 45.160 2.662 ( 0.000 20.292 3.202) 20.543 2.863 ( 0.000 4.836 33.602) 33.948 3.397 ( 0.000 -0.180 -1.987) 1.995 3.629 ( 0.000 -1.345 -5.734) 5.890 3.705 ( 0.000 -4.185 12.834) 13.499 4.206 ( 0.000 9.187 5.352) 10.632 4.229 ( 0.000 -4.124 8.613) 9.550 4.517 ( 0.000 -1.463 -16.099) 16.165 4.583 ( 0.000 -4.694 4.087) 6.223 4.951 ( 0.000 -8.397 3.568) 9.124 5.005 ( 0.000 3.445 -4.399) 5.588 5.101 ( 0.000 -4.723 9.373) 10.495 5.362 ( 0.000 -17.496 4.042) 17.957 5.642 ( 0.000 -12.197 5.576) 13.411 6.161 ( 0.000 -2.221 2.041) 3.017 6.382 ( 0.000 5.646 0.952) 5.726 6.556 ( 0.000 -5.103 -10.588) 11.753 6.757 ( 0.000 4.214 0.800) 4.289 6.960 ( 0.000 0.967 -1.160) 1.510 7.251 ( 0.000 1.433 -5.654) 5.832 7.272 ( 0.000 -0.663 -0.812) 1.049 7.277 ( 0.000 -12.089 -6.422) 13.688 7.575 ( 0.000 3.647 -0.521) 3.684 7.893 ( 0.000 2.138 8.173) 8.447 7.979 ( 0.000 1.248 -16.167) 16.215 9.166 ( 0.000 -6.782 -17.231) 18.517 9.208 ( 0.000 -2.286 4.340) 4.905 9.640 ( 0.000 11.589 -2.329) 11.821 10.213 ( 0.000 1.865 -23.290) 23.365 10.925 ( 0.000 3.310 -19.301) 19.583 11.214 ( 0.000 -1.097 -6.056) 6.155 12.139 ( 0.000 6.617 9.640) 11.693 12.751 ( 0.000 -0.691 2.354) 2.453 13.193 ( 0.000 -4.616 4.673) 6.568 13.227 ( 0.000 -7.297 5.133) 8.922 14.088 ( 0.000 1.175 -1.571) 1.962 14.093 ( 0.000 0.409 1.977) 2.019 14.324 ( 0.000 1.678 2.571) 3.070 14.536 ( 0.000 2.221 1.069) 2.465 15.044 ( 0.000 1.185 2.435) 2.708 15.123 ( 0.000 0.628 -0.381) 0.735 15.216 ( 0.000 -0.138 0.163) 0.214 15.347 ( 0.000 -5.936 1.674) 6.167 15.539 ( 0.000 -0.573 1.828) 1.915 15.668 ( 0.000 -7.443 2.693) 7.915 15.787 ( 0.000 -0.510 -1.906) 1.973 15.866 ( 0.000 -5.748 -1.579) 5.961 18.797 ( 0.000 14.526 -0.292) 14.529 19.035 ( 0.000 8.322 -2.637) 8.730 19.052 ( 0.000 0.883 -6.084) 6.148 19.512 ( 0.000 -0.448 0.497) 0.670 26.776 ( 0.000 1.085 3.364) 3.535 26.949 ( 0.000 -0.933 -0.095) 0.938 27.157 ( 0.000 -2.596 -3.717) 4.534 27.318 ( 0.000 -1.782 5.232) 5.527 27.726 ( 0.000 1.018 6.086) 6.171 28.001 ( 0.000 -1.792 9.277) 9.448 28.983 ( 0.000 0.115 -2.955) 2.957 29.215 ( 0.000 -0.700 -5.911) 5.952 30.337 ( 0.000 4.000 15.232) 15.749 30.834 ( 0.000 -5.215 -1.038) 5.318 31.880 ( 0.000 -37.447 23.302) 44.105 32.344 ( 0.000 -24.081 9.794) 25.996 32.961 ( 0.000 5.151 -0.649) 5.192 33.020 ( 0.000 9.588 -4.516) 10.599 33.436 ( 0.000 10.351 -2.322) 10.608 33.768 ( 0.000 17.756 -13.864) 22.528 ======================= Grid point 106 (38/96) ======================= q-point: ( 0.17 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 12.150 12.412 15.189) 23.073 1.540 ( 12.633 3.012 27.064) 30.018 2.036 ( -0.960 6.325 1.265) 6.521 2.100 ( 1.949 8.081 -0.350) 8.320 2.539 ( 13.792 17.142 19.238) 29.226 2.742 ( 5.480 16.735 12.451) 21.566 2.809 ( -3.357 6.593 31.676) 32.528 3.397 ( 0.856 0.039 -0.842) 1.201 3.614 ( -1.290 -0.852 -3.321) 3.663 3.820 ( 11.541 -1.306 12.073) 16.752 4.187 ( 0.859 6.265 6.998) 9.432 4.330 ( 3.610 -2.533 0.475) 4.436 4.484 ( -1.325 -2.145 -12.094) 12.354 4.590 ( 0.510 -4.929 3.792) 6.239 4.901 ( -6.061 -10.440 4.289) 12.811 4.961 ( -5.842 2.254 -1.639) 6.473 5.089 ( 0.162 -4.310 5.114) 6.690 5.296 ( -3.846 -13.818 3.160) 14.687 5.686 ( 5.061 -9.258 6.880) 12.596 6.158 ( -1.470 4.786 1.137) 5.134 6.293 ( -5.619 4.635 2.883) 7.834 6.537 ( -8.576 2.790 -8.749) 12.565 6.699 ( -3.755 5.791 -2.101) 7.214 6.840 ( -10.449 2.131 0.579) 10.680 7.105 ( -11.594 -3.148 2.229) 12.219 7.202 ( 0.832 -12.529 -3.057) 12.923 7.373 ( 3.589 -4.598 -5.675) 8.138 7.671 ( 2.124 1.328 -5.251) 5.818 7.969 ( 12.540 3.440 8.758) 15.677 8.171 ( 16.826 -1.888 -17.095) 24.061 9.100 ( -5.187 -4.891 -11.203) 13.279 9.252 ( 1.599 -4.903 -4.165) 6.630 9.702 ( 6.561 11.342 -4.741) 13.934 10.224 ( 0.740 2.462 -22.519) 22.665 10.878 ( -4.230 1.773 -16.654) 17.274 11.161 ( -5.489 -1.423 -5.037) 7.585 12.173 ( 3.587 6.243 9.137) 11.633 12.697 ( -5.460 0.221 3.358) 6.414 13.197 ( 1.641 -5.224 4.869) 7.327 13.280 ( 3.574 -8.005 3.821) 9.563 14.084 ( 1.173 2.175 -0.207) 2.480 14.152 ( 4.376 0.249 0.257) 4.391 14.301 ( -2.246 1.617 2.507) 3.734 14.513 ( -2.530 1.825 1.465) 3.446 15.049 ( 0.286 1.096 1.885) 2.199 15.118 ( -0.603 0.635 0.188) 0.896 15.130 ( -9.949 0.463 2.604) 10.295 15.238 ( -3.045 -0.338 -0.494) 3.104 15.630 ( 1.416 -1.033 0.923) 1.981 15.639 ( 0.029 -6.373 0.730) 6.415 15.830 ( 3.201 -4.385 -0.422) 5.445 15.859 ( -0.154 -6.278 -0.543) 6.303 18.782 ( -1.084 13.345 0.306) 13.393 18.954 ( -4.806 7.353 -3.623) 9.502 19.136 ( 5.309 1.316 -3.101) 6.288 19.492 ( -2.147 -0.461 0.253) 2.211 26.746 ( -1.405 1.669 2.107) 3.033 27.002 ( -3.304 0.002 0.748) 3.388 27.059 ( 2.854 -0.736 -0.061) 2.948 27.434 ( 4.038 -4.439 -1.323) 6.145 27.822 ( 9.399 1.091 6.131) 11.275 28.163 ( 16.801 -2.639 4.213) 17.521 28.905 ( -7.860 0.059 -2.883) 8.372 29.198 ( -2.157 -1.362 -6.608) 7.083 30.375 ( 3.998 3.404 15.098) 15.985 30.815 ( -2.228 -4.360 1.691) 5.181 31.909 ( 3.127 -36.513 21.019) 42.246 32.311 ( -3.434 -24.769 9.805) 26.859 32.959 ( 0.265 7.447 -1.393) 7.580 33.046 ( 2.122 7.972 -4.487) 9.391 33.419 ( -1.755 10.331 -1.830) 10.638 33.658 ( -10.275 19.179 -9.948) 23.924 ======================= Grid point 107 (39/96) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 19.536 5.042 6.709) 21.262 1.819 ( 17.236 1.820 18.253) 25.171 2.010 ( -2.110 5.886 2.523) 6.743 2.171 ( 6.477 6.961 3.534) 10.144 2.609 ( -6.792 0.620 4.756) 8.315 2.616 ( -12.371 6.845 19.914) 24.423 3.081 ( 23.852 8.951 18.460) 31.461 3.447 ( 4.173 1.127 3.111) 5.326 3.586 ( -1.800 -0.424 -0.803) 2.016 3.961 ( -7.558 -4.259 4.569) 9.805 4.264 ( 8.839 5.374 5.875) 11.896 4.312 ( 5.611 9.440 -1.398) 11.070 4.548 ( 4.714 -8.497 1.505) 9.833 4.584 ( -2.512 -3.700 3.189) 5.493 4.757 ( -7.905 -14.187 4.999) 16.992 4.789 ( -10.966 1.985 3.040) 11.551 5.137 ( 5.053 -1.955 -0.044) 5.418 5.282 ( 0.794 -6.310 -0.363) 6.370 5.823 ( 9.769 -2.755 3.188) 10.639 6.088 ( -5.822 14.328 -0.884) 15.491 6.240 ( -5.318 16.038 2.303) 17.052 6.302 ( -4.037 -1.852 2.564) 5.129 6.470 ( -19.004 -0.021 -0.135) 19.005 6.786 ( -10.552 -0.088 8.675) 13.660 6.870 ( 0.980 -0.442 0.254) 1.105 7.207 ( -5.137 -10.598 -5.650) 13.063 7.458 ( 7.850 -4.668 -6.028) 10.943 7.675 ( -1.085 -3.453 -7.123) 7.990 8.271 ( 16.836 1.333 2.794) 17.118 8.493 ( 14.370 -5.031 -11.606) 19.144 8.993 ( -4.674 -5.154 -11.466) 13.412 9.217 ( -5.911 -5.796 -9.136) 12.329 9.873 ( 11.105 10.071 -10.681) 18.408 10.210 ( -3.334 4.710 -20.977) 21.756 10.818 ( -0.760 -1.235 -10.459) 10.559 11.024 ( -8.577 -2.269 -3.637) 9.589 12.269 ( 6.550 5.242 7.854) 11.492 12.565 ( -8.130 2.070 4.901) 9.716 13.249 ( 3.416 -6.368 4.701) 8.621 13.324 ( 0.785 -8.725 3.688) 9.505 14.124 ( 2.759 3.364 -0.179) 4.355 14.228 ( 0.231 1.857 -1.217) 2.232 14.264 ( 1.871 0.331 3.619) 4.088 14.445 ( -4.497 0.820 2.081) 5.022 14.986 ( -3.633 2.926 0.679) 4.714 15.036 ( -2.296 2.339 -1.043) 3.440 15.123 ( 1.289 0.862 0.820) 1.754 15.198 ( -1.986 0.125 0.484) 2.048 15.601 ( -0.892 -3.055 0.004) 3.182 15.646 ( -1.720 -2.805 -1.107) 3.472 15.865 ( 1.351 -6.062 1.784) 6.462 15.883 ( 1.344 -7.428 0.920) 7.605 18.774 ( 0.543 11.036 0.647) 11.068 18.869 ( -4.158 7.943 -1.555) 9.099 19.241 ( 5.757 0.101 -1.985) 6.090 19.434 ( -4.039 -0.496 -0.350) 4.085 26.748 ( 1.588 2.322 0.522) 2.861 26.890 ( -5.650 2.039 1.030) 6.095 27.197 ( 8.202 -2.120 -0.635) 8.495 27.433 ( -3.192 -4.029 -1.025) 5.241 28.041 ( 13.806 1.755 5.320) 14.899 28.470 ( 7.192 -0.059 0.989) 7.260 28.763 ( -0.978 -3.260 -6.926) 7.717 29.121 ( -6.494 -2.866 -8.294) 10.917 30.481 ( 7.039 1.853 14.380) 16.117 30.745 ( -5.374 -2.438 7.438) 9.494 31.992 ( 5.544 -33.774 16.177) 37.856 32.223 ( -5.753 -26.838 10.282) 29.311 32.982 ( 2.362 9.858 -2.573) 10.458 33.075 ( 0.300 7.844 -5.246) 9.441 33.378 ( -2.193 11.249 -0.544) 11.474 33.465 ( -8.511 18.588 -4.505) 20.934 ======================= Grid point 108 (40/96) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -5.799 2.837 5.285) 8.343 1.933 ( 5.799 2.837 5.285) 8.343 2.207 ( -15.573 4.780 10.015) 19.122 2.207 ( 15.573 4.780 10.015) 19.122 2.439 ( -5.632 1.747 9.291) 11.004 2.439 ( 5.632 1.747 9.291) 11.004 3.463 ( -9.280 -5.088 1.935) 10.759 3.463 ( 9.280 -5.088 1.935) 10.759 3.643 ( -16.083 5.921 6.058) 18.177 3.643 ( 16.083 5.921 6.058) 18.177 4.442 ( -10.412 0.461 1.871) 10.589 4.442 ( 10.412 0.461 1.871) 10.589 4.549 ( -10.855 4.789 6.981) 13.765 4.549 ( 10.855 4.789 6.981) 13.765 4.654 ( -4.150 -10.043 4.591) 11.797 4.654 ( 4.150 -10.043 4.591) 11.797 5.249 ( -5.135 -1.981 -2.701) 6.131 5.249 ( 5.135 -1.981 -2.701) 6.131 6.022 ( -4.108 12.538 -1.954) 13.338 6.022 ( 4.108 12.538 -1.954) 13.338 6.135 ( -9.533 2.568 0.652) 9.894 6.135 ( 9.533 2.568 0.652) 9.894 6.484 ( -15.035 -0.109 13.707) 20.346 6.484 ( 15.035 -0.109 13.707) 20.346 7.042 ( -10.750 -3.767 -4.646) 12.302 7.042 ( 10.750 -3.767 -4.646) 12.302 7.607 ( -6.427 -5.625 -7.444) 11.330 7.607 ( 6.427 -5.625 -7.444) 11.330 8.538 ( -9.673 -2.331 -2.008) 10.151 8.538 ( 9.673 -2.331 -2.008) 10.151 9.050 ( -10.048 -6.419 -13.227) 17.808 9.050 ( 10.048 -6.419 -13.227) 17.808 10.081 ( -10.012 7.664 -17.165) 21.298 10.081 ( 10.012 7.664 -17.165) 21.298 10.874 ( -6.434 -2.698 -5.066) 8.622 10.874 ( 6.434 -2.698 -5.066) 8.622 12.409 ( -8.245 3.825 6.333) 11.078 12.409 ( 8.245 3.825 6.333) 11.078 13.307 ( -2.388 -7.823 4.443) 9.309 13.307 ( 2.388 -7.823 4.443) 9.309 14.179 ( -3.096 3.101 0.237) 4.388 14.179 ( 3.096 3.101 0.237) 4.388 14.353 ( -5.208 0.160 1.997) 5.580 14.353 ( 5.208 0.160 1.997) 5.580 14.983 ( -2.395 3.366 -1.955) 4.571 14.983 ( 2.395 3.366 -1.955) 4.571 15.159 ( -2.218 0.363 1.248) 2.570 15.159 ( 2.218 0.363 1.248) 2.570 15.608 ( -1.604 -2.843 -0.868) 3.378 15.608 ( 1.604 -2.843 -0.868) 3.378 15.887 ( -0.716 -6.957 1.964) 7.264 15.887 ( 0.716 -6.957 1.964) 7.264 18.805 ( -2.634 9.040 -0.018) 9.416 18.805 ( 2.634 9.040 -0.018) 9.416 19.346 ( -5.315 -0.386 -1.138) 5.449 19.346 ( 5.315 -0.386 -1.138) 5.449 26.800 ( -3.904 2.491 0.321) 4.642 26.800 ( 3.904 2.491 0.321) 4.642 27.338 ( -6.618 -3.095 -0.631) 7.333 27.338 ( 6.618 -3.095 -0.631) 7.333 28.318 ( -14.843 2.470 4.002) 15.570 28.318 ( 14.843 2.470 4.002) 15.570 28.946 ( -12.171 -4.699 -9.982) 16.427 28.946 ( 12.171 -4.699 -9.982) 16.427 30.621 ( -7.539 -0.228 12.109) 14.266 30.621 ( 7.539 -0.228 12.109) 14.266 32.107 ( -6.484 -30.102 12.193) 33.119 32.107 ( 6.484 -30.102 12.193) 33.119 33.041 ( -3.406 10.185 -4.380) 11.598 33.041 ( 3.406 10.185 -4.380) 11.598 33.369 ( -2.001 13.962 -1.307) 14.166 33.369 ( 2.001 13.962 -1.307) 14.166 ======================= Grid point 112 (41/96) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 0.000 17.836 17.346) 24.880 1.671 ( 0.000 21.611 11.173) 24.329 2.204 ( 0.000 6.964 0.730) 7.002 2.269 ( 0.000 9.248 -1.676) 9.399 2.920 ( 0.000 0.454 20.521) 20.526 3.029 ( 0.000 29.542 18.413) 34.810 3.208 ( 0.000 27.051 6.270) 27.768 3.424 ( 0.000 6.083 3.450) 6.993 3.458 ( 0.000 -12.217 2.721) 12.516 3.699 ( 0.000 2.832 15.741) 15.994 4.142 ( 0.000 -3.798 9.273) 10.021 4.336 ( 0.000 0.034 5.485) 5.485 4.434 ( 0.000 -9.024 5.254) 10.442 4.462 ( 0.000 -1.355 -10.092) 10.183 4.753 ( 0.000 -9.301 6.371) 11.274 4.945 ( 0.000 -18.460 1.105) 18.493 4.997 ( 0.000 -5.121 6.806) 8.517 5.161 ( 0.000 7.915 -8.622) 11.704 5.308 ( 0.000 -19.076 5.785) 19.934 6.059 ( 0.000 -11.369 -0.627) 11.387 6.345 ( 0.000 -7.227 -2.968) 7.813 6.451 ( 0.000 0.299 2.302) 2.322 6.953 ( 0.000 9.520 -4.612) 10.579 6.984 ( 0.000 0.524 -0.759) 0.922 7.060 ( 0.000 -5.499 0.428) 5.516 7.222 ( 0.000 -3.645 -6.445) 7.404 7.303 ( 0.000 3.692 2.131) 4.263 7.680 ( 0.000 3.731 -4.562) 5.893 7.915 ( 0.000 1.091 0.849) 1.382 8.013 ( 0.000 1.757 -15.784) 15.881 9.048 ( 0.000 -3.902 -12.059) 12.675 9.145 ( 0.000 -3.675 1.403) 3.934 9.906 ( 0.000 12.860 -2.628) 13.126 10.249 ( 0.000 1.168 -19.129) 19.165 10.978 ( 0.000 1.901 -23.666) 23.742 11.173 ( 0.000 -2.972 -9.883) 10.320 12.321 ( 0.000 10.331 7.191) 12.588 12.736 ( 0.000 -0.770 2.355) 2.478 13.070 ( 0.000 -6.761 6.057) 9.078 13.076 ( 0.000 -6.583 6.847) 9.498 14.102 ( 0.000 0.353 2.705) 2.727 14.104 ( 0.000 0.415 0.565) 0.701 14.373 ( 0.000 3.041 2.862) 4.176 14.567 ( 0.000 -0.029 0.769) 0.769 15.070 ( 0.000 1.008 1.867) 2.122 15.092 ( 0.000 -3.187 3.204) 4.520 15.216 ( 0.000 0.335 0.121) 0.356 15.266 ( 0.000 -0.557 -0.341) 0.653 15.524 ( 0.000 -0.772 2.083) 2.221 15.582 ( 0.000 -2.180 3.508) 4.130 15.739 ( 0.000 -5.292 -2.144) 5.710 15.768 ( 0.000 -1.439 -2.500) 2.884 18.981 ( 0.000 5.076 4.494) 6.780 19.073 ( 0.000 0.890 -5.455) 5.527 19.271 ( 0.000 10.804 -13.374) 17.193 19.500 ( 0.000 -0.712 -0.901) 1.148 26.805 ( 0.000 1.714 2.070) 2.687 26.922 ( 0.000 -1.656 -0.501) 1.730 27.117 ( 0.000 -0.770 -0.263) 0.814 27.266 ( 0.000 -3.191 4.704) 5.684 27.758 ( 0.000 2.114 7.185) 7.489 27.949 ( 0.000 -3.081 9.644) 10.124 29.005 ( 0.000 2.118 -1.216) 2.443 29.190 ( 0.000 -1.786 -5.963) 6.225 30.462 ( 0.000 7.839 16.164) 17.964 30.717 ( 0.000 -5.224 4.000) 6.579 31.263 ( 0.000 -20.812 24.513) 32.156 31.818 ( 0.000 -25.764 12.321) 28.559 33.102 ( 0.000 7.612 -1.621) 7.782 33.202 ( 0.000 7.362 -5.944) 9.462 33.643 ( 0.000 9.280 -3.390) 9.880 33.977 ( 0.000 3.413 -14.327) 14.728 ======================= Grid point 113 (42/96) ======================= q-point: ( 0.17 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 4.111 13.777 16.411) 21.818 1.779 ( 8.714 19.756 10.251) 23.902 2.215 ( 1.046 9.057 1.990) 9.332 2.256 ( -0.807 6.409 -1.782) 6.701 2.882 ( -5.418 1.987 20.719) 21.507 2.951 ( -8.124 20.016 6.253) 22.488 3.124 ( -3.037 9.113 7.637) 12.272 3.423 ( 3.258 5.830 8.413) 10.742 3.551 ( 2.562 -1.316 7.351) 7.895 3.823 ( 6.919 -1.342 12.208) 14.096 4.185 ( 3.310 -6.475 7.481) 10.433 4.267 ( -1.864 -1.828 6.244) 6.768 4.424 ( -2.112 -9.483 -1.339) 9.807 4.511 ( 5.950 3.283 1.545) 6.970 4.726 ( -3.062 -2.026 -1.157) 3.849 4.937 ( 1.959 -10.798 1.992) 11.154 4.987 ( -1.008 -3.434 4.593) 5.822 5.175 ( 1.935 6.666 -7.002) 9.859 5.461 ( 13.570 -13.110 6.510) 19.960 6.129 ( 5.692 -9.926 -0.769) 11.468 6.314 ( -0.901 0.449 0.440) 1.099 6.549 ( 6.762 -4.772 -1.155) 8.356 6.798 ( -15.262 3.131 -2.080) 15.718 6.962 ( -2.087 8.104 -4.233) 9.378 6.974 ( -6.933 -5.111 4.168) 9.569 7.049 ( -15.012 -0.577 -1.911) 15.144 7.317 ( 2.048 -1.319 -2.156) 3.253 7.659 ( -4.460 -2.873 -5.225) 7.446 8.041 ( 13.232 3.296 0.186) 13.638 8.154 ( 12.181 0.332 -14.703) 19.096 8.997 ( -5.150 -4.020 -11.288) 13.043 9.142 ( -1.147 -5.571 -0.800) 5.744 9.963 ( 5.911 12.630 -5.109) 14.851 10.275 ( 2.550 1.962 -18.177) 18.460 10.907 ( -6.731 1.172 -21.103) 22.182 11.112 ( -6.394 -3.459 -8.583) 11.248 12.346 ( 2.677 9.969 7.181) 12.574 12.709 ( -2.889 0.950 3.444) 4.595 13.060 ( 0.262 -7.445 5.631) 9.338 13.105 ( 1.583 -8.183 6.004) 10.272 14.122 ( 2.750 1.409 1.428) 3.404 14.155 ( 4.281 -0.026 1.470) 4.527 14.350 ( -2.266 3.031 2.671) 4.631 14.536 ( -3.211 -0.189 1.455) 3.530 15.066 ( -0.312 0.131 1.920) 1.949 15.099 ( 0.193 -0.552 2.963) 3.020 15.176 ( -3.452 2.272 -0.490) 4.161 15.236 ( -1.877 0.323 -0.179) 1.913 15.526 ( -0.244 -3.198 2.397) 4.004 15.604 ( 1.406 -1.419 1.410) 2.445 15.720 ( -1.398 -6.107 -0.872) 6.325 15.765 ( -0.309 -2.611 -1.930) 3.261 18.967 ( -0.754 5.923 2.390) 6.432 19.104 ( 2.041 2.524 -4.481) 5.533 19.231 ( -2.981 8.772 -9.892) 13.553 19.478 ( -2.346 -0.922 -1.026) 2.721 26.795 ( -0.011 2.969 1.054) 3.151 26.988 ( 4.431 -1.725 -0.773) 4.818 27.057 ( -2.973 1.146 1.266) 3.428 27.321 ( 2.532 -6.029 0.578) 6.564 27.857 ( 9.889 2.330 6.926) 12.296 28.089 ( 14.779 -4.208 6.827) 16.814 28.929 ( -7.911 2.446 -0.825) 8.321 29.156 ( -3.799 -2.659 -6.140) 7.694 30.484 ( 2.445 7.012 15.690) 17.359 30.727 ( 0.491 -3.264 5.458) 6.379 31.286 ( 2.641 -22.402 23.224) 32.376 31.777 ( -4.368 -25.901 12.539) 29.106 33.123 ( 2.227 8.218 -1.973) 8.740 33.223 ( 2.157 7.822 -6.214) 10.220 33.618 ( -2.546 8.500 -2.876) 9.328 33.895 ( -8.005 4.689 -12.221) 15.344 ======================= Grid point 114 (43/96) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 12.563 5.738 10.196) 17.167 1.942 ( 7.154 12.569 8.336) 16.693 2.211 ( 0.177 10.300 3.138) 10.769 2.314 ( 7.317 4.782 2.548) 9.105 2.680 ( -14.840 5.667 12.301) 20.092 2.762 ( -12.135 6.744 7.946) 15.996 3.167 ( 6.017 -2.325 4.700) 7.981 3.435 ( -4.216 -4.684 6.327) 8.930 3.604 ( 4.575 3.347 11.940) 13.218 3.792 ( -5.686 -9.929 8.088) 14.012 4.216 ( -0.582 -12.560 5.517) 13.731 4.265 ( -1.804 -12.406 5.508) 13.693 4.497 ( 8.880 6.953 4.046) 11.982 4.639 ( 5.649 6.688 1.851) 8.948 4.706 ( 2.462 12.480 -2.750) 13.015 4.903 ( -4.609 5.041 5.244) 8.611 5.070 ( 9.050 -3.548 -3.214) 10.238 5.251 ( 5.137 5.279 -5.071) 8.943 5.746 ( 16.213 -5.699 4.025) 17.650 6.184 ( -0.634 -7.584 1.149) 7.696 6.343 ( 3.409 6.259 1.036) 7.202 6.464 ( -18.661 3.694 -1.074) 19.053 6.569 ( -5.816 7.940 -1.062) 9.899 6.761 ( -13.763 -1.701 10.896) 17.636 6.907 ( -0.133 1.495 -4.810) 5.039 6.941 ( 0.577 -7.512 -2.482) 7.933 7.350 ( 2.508 -5.689 -3.371) 7.073 7.561 ( -5.491 -7.620 -6.928) 11.671 8.315 ( 13.891 2.680 1.079) 14.188 8.398 ( 13.095 -3.246 -12.416) 18.335 8.877 ( -6.380 -5.175 -11.318) 13.985 9.066 ( -7.547 -8.214 -5.625) 12.492 10.111 ( 9.295 11.848 -10.420) 18.313 10.323 ( 1.407 5.567 -16.732) 17.690 10.782 ( -4.763 -1.945 -14.609) 15.488 10.953 ( -9.723 -4.549 -6.395) 12.495 12.418 ( 4.913 8.851 6.928) 12.267 12.631 ( -5.307 4.240 5.199) 8.555 13.080 ( 1.661 -9.437 4.793) 10.714 13.123 ( 0.167 -9.981 5.220) 11.265 14.187 ( 3.683 2.511 1.152) 4.604 14.250 ( 5.493 0.064 1.367) 5.661 14.300 ( -2.733 3.062 2.479) 4.794 14.455 ( -5.150 -0.199 2.367) 5.672 15.053 ( -0.567 3.034 0.473) 3.122 15.093 ( -0.813 2.778 1.048) 3.078 15.144 ( 0.117 1.037 -0.335) 1.097 15.202 ( -1.860 0.180 0.634) 1.974 15.522 ( 0.129 -3.222 1.630) 3.613 15.591 ( -2.631 -1.936 -0.840) 3.373 15.717 ( 1.080 -7.174 1.530) 7.414 15.756 ( -0.677 -4.974 -0.516) 5.046 18.968 ( 1.040 7.777 0.133) 7.848 19.081 ( -4.046 10.013 -5.483) 12.112 19.240 ( 3.897 -0.110 -3.068) 4.961 19.416 ( -4.206 -1.355 -1.235) 4.589 26.817 ( 2.311 4.311 -0.160) 4.894 26.952 ( -4.327 3.916 0.619) 5.868 27.133 ( 6.700 -3.962 -0.980) 7.845 27.321 ( -2.290 -6.464 -0.799) 6.904 28.096 ( 15.121 3.537 5.622) 16.516 28.429 ( 17.781 -4.517 0.588) 18.355 28.732 ( -11.382 1.405 -0.417) 11.476 29.040 ( -8.935 -4.782 -6.403) 11.988 30.552 ( 4.654 5.233 14.580) 16.175 30.713 ( -2.276 0.342 9.159) 9.444 31.370 ( 6.345 -25.132 19.506) 32.440 31.663 ( -7.488 -26.222 13.466) 30.414 33.184 ( 4.203 9.663 -3.095) 10.983 33.269 ( 1.983 9.618 -6.873) 11.986 33.564 ( -2.328 6.402 -1.860) 7.062 33.720 ( -9.626 6.142 -7.989) 13.936 ======================= Grid point 115 (44/96) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -2.592 4.751 3.318) 6.348 1.995 ( 2.592 4.751 3.318) 6.348 2.348 ( -14.584 6.602 9.181) 18.455 2.348 ( 14.584 6.602 9.181) 18.455 2.528 ( -11.109 6.371 8.517) 15.380 2.528 ( 11.109 6.371 8.517) 15.380 3.304 ( -8.057 -10.570 4.203) 13.939 3.304 ( 8.057 -10.570 4.203) 13.939 3.699 ( -4.848 -0.129 9.354) 10.536 3.699 ( 4.848 -0.129 9.354) 10.536 4.220 ( -1.721 -14.543 4.869) 15.432 4.220 ( 1.721 -14.543 4.869) 15.432 4.630 ( -4.907 8.169 -0.673) 9.553 4.630 ( 4.907 8.169 -0.673) 9.553 4.810 ( -5.671 11.100 6.867) 14.231 4.810 ( 5.671 11.100 6.867) 14.231 5.251 ( -7.174 4.209 -7.010) 10.878 5.251 ( 7.174 4.209 -7.010) 10.878 6.053 ( -16.417 -5.371 1.186) 17.314 6.053 ( 16.417 -5.371 1.186) 17.314 6.305 ( -6.693 6.904 1.324) 9.707 6.305 ( 6.693 6.904 1.324) 9.707 6.552 ( -7.213 7.140 7.355) 12.534 6.552 ( 7.213 7.140 7.355) 12.534 6.936 ( -2.091 -5.180 -3.174) 6.425 6.936 ( 2.091 -5.180 -3.174) 6.425 7.444 ( -6.809 -9.727 -6.096) 13.346 7.444 ( 6.809 -9.727 -6.096) 13.346 8.507 ( -4.925 0.127 -3.021) 5.779 8.507 ( 4.925 0.127 -3.021) 5.779 8.884 ( -9.149 -9.020 -11.484) 17.232 8.884 ( 9.149 -9.020 -11.484) 17.232 10.274 ( -6.848 10.302 -15.339) 19.706 10.274 ( 6.848 10.302 -15.339) 19.706 10.793 ( -5.977 -5.201 -7.528) 10.929 10.793 ( 5.977 -5.201 -7.528) 10.929 12.522 ( -6.001 6.967 6.306) 11.150 12.522 ( 6.001 6.967 6.306) 11.150 13.111 ( -1.355 -10.487 4.783) 11.606 13.111 ( 1.355 -10.487 4.783) 11.606 14.247 ( -2.807 3.238 1.469) 4.530 14.247 ( 2.807 3.238 1.469) 4.530 14.355 ( -5.495 -0.155 2.304) 5.961 14.355 ( 5.495 -0.155 2.304) 5.961 15.066 ( -1.647 4.028 -0.824) 4.429 15.066 ( 1.647 4.028 -0.824) 4.429 15.166 ( -1.847 0.248 0.964) 2.098 15.166 ( 1.847 0.248 0.964) 2.098 15.541 ( -2.053 -2.689 0.270) 3.394 15.541 ( 2.053 -2.689 0.270) 3.394 15.740 ( -1.077 -6.691 0.938) 6.842 15.740 ( 1.077 -6.691 0.938) 6.842 19.008 ( -3.204 9.552 -2.478) 10.375 19.008 ( 3.204 9.552 -2.478) 10.375 19.328 ( -4.996 -1.457 -1.709) 5.478 19.328 ( 4.996 -1.457 -1.709) 5.478 26.875 ( -3.745 4.675 -0.183) 5.993 26.875 ( 3.745 4.675 -0.183) 5.993 27.248 ( -5.269 -5.465 -0.952) 7.651 27.248 ( 5.269 -5.465 -0.952) 7.651 28.393 ( -15.597 4.826 3.637) 16.727 28.393 ( 15.597 4.826 3.637) 16.727 28.819 ( -14.476 -7.226 -5.658) 17.140 28.819 ( 14.476 -7.226 -5.658) 17.140 30.644 ( -4.764 3.083 12.592) 13.812 30.644 ( 4.764 3.083 12.592) 13.812 31.511 ( -8.360 -26.284 15.706) 31.740 31.511 ( 8.360 -26.284 15.706) 31.740 33.261 ( -3.106 10.977 -5.416) 12.628 33.261 ( 3.106 10.977 -5.416) 12.628 33.578 ( -4.584 5.473 -3.738) 8.059 33.578 ( 4.584 5.473 -3.738) 8.059 ======================= Grid point 119 (45/96) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 0.000 17.007 3.739) 17.413 2.079 ( 0.000 14.309 1.709) 14.410 2.309 ( 0.000 2.845 3.285) 4.346 2.385 ( 0.000 -0.573 -0.760) 0.952 2.850 ( 0.000 -1.461 12.816) 12.900 3.043 ( 0.000 -16.421 3.441) 16.778 3.551 ( 0.000 11.399 10.203) 15.298 3.618 ( 0.000 13.226 13.361) 18.800 3.795 ( 0.000 6.111 15.032) 16.227 3.861 ( 0.000 24.046 2.161) 24.142 4.039 ( 0.000 -5.041 9.111) 10.413 4.215 ( 0.000 -3.926 5.361) 6.644 4.279 ( 0.000 -4.598 9.404) 10.468 4.411 ( 0.000 -14.841 -0.869) 14.866 4.628 ( 0.000 -1.208 6.637) 6.746 4.669 ( 0.000 -2.706 2.925) 3.985 4.885 ( 0.000 -5.511 5.925) 8.092 4.912 ( 0.000 -13.828 9.495) 16.774 5.384 ( 0.000 12.473 -10.277) 16.161 5.707 ( 0.000 -18.602 -5.977) 19.538 6.321 ( 0.000 2.422 1.735) 2.979 6.398 ( 0.000 -4.270 0.894) 4.363 7.004 ( 0.000 3.498 2.030) 4.045 7.058 ( 0.000 1.869 -1.439) 2.358 7.061 ( 0.000 0.867 -1.839) 2.034 7.123 ( 0.000 -5.296 -3.942) 6.602 7.444 ( 0.000 9.399 -1.802) 9.570 7.632 ( 0.000 -7.408 -4.212) 8.521 7.986 ( 0.000 4.259 -8.673) 9.662 8.034 ( 0.000 -0.249 -13.730) 13.733 9.016 ( 0.000 0.735 -7.480) 7.516 9.066 ( 0.000 -3.621 -2.689) 4.510 10.131 ( 0.000 8.304 -6.116) 10.313 10.241 ( 0.000 -2.495 -12.852) 13.092 11.023 ( 0.000 2.803 -21.399) 21.582 11.096 ( 0.000 -4.061 -15.546) 16.068 12.537 ( 0.000 9.957 4.420) 10.894 12.695 ( 0.000 -4.421 2.079) 4.885 12.954 ( 0.000 -2.965 8.248) 8.764 12.969 ( 0.000 -3.565 7.754) 8.534 14.107 ( 0.000 0.155 2.786) 2.791 14.108 ( 0.000 0.027 2.072) 2.072 14.446 ( 0.000 3.927 3.163) 5.042 14.526 ( 0.000 -3.481 2.619) 4.356 15.060 ( 0.000 0.192 1.409) 1.422 15.075 ( 0.000 -0.594 0.961) 1.130 15.236 ( 0.000 1.541 0.511) 1.623 15.264 ( 0.000 -0.700 0.166) 0.719 15.514 ( 0.000 0.030 2.475) 2.475 15.536 ( 0.000 -2.086 3.394) 3.983 15.692 ( 0.000 0.639 -3.305) 3.366 15.729 ( 0.000 -2.207 -3.076) 3.786 19.055 ( 0.000 2.322 0.770) 2.446 19.081 ( 0.000 -0.303 -3.159) 3.174 19.425 ( 0.000 4.481 -9.362) 10.379 19.480 ( 0.000 -1.459 -4.234) 4.478 26.843 ( 0.000 1.931 0.388) 1.970 26.884 ( 0.000 -1.975 -0.529) 2.045 27.132 ( 0.000 2.150 2.261) 3.120 27.194 ( 0.000 -3.526 3.805) 5.188 27.812 ( 0.000 3.033 8.453) 8.981 27.880 ( 0.000 -3.459 9.395) 10.012 29.067 ( 0.000 3.591 -2.490) 4.370 29.139 ( 0.000 -3.155 -4.806) 5.749 30.612 ( 0.000 4.338 17.456) 17.987 30.646 ( 0.000 -1.505 11.215) 11.316 31.056 ( 0.000 2.383 15.207) 15.392 31.327 ( 0.000 -20.581 13.180) 24.440 33.242 ( 0.000 5.203 -2.756) 5.888 33.291 ( 0.000 0.862 -4.464) 4.547 33.821 ( 0.000 7.943 -6.825) 10.472 33.956 ( 0.000 -4.518 -10.736) 11.648 ======================= Grid point 120 (46/96) ======================= q-point: ( 0.17 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -1.749 15.908 6.415) 17.242 2.187 ( 7.157 12.236 0.549) 14.186 2.250 ( -4.348 0.157 2.342) 4.941 2.410 ( 1.099 2.546 0.066) 2.774 2.836 ( -1.464 -1.578 11.693) 11.890 2.996 ( -4.358 -13.117 3.950) 14.375 3.320 ( -18.149 15.407 7.592) 24.988 3.595 ( -20.529 -2.329 6.275) 21.593 3.685 ( 3.194 4.837 11.564) 12.935 3.773 ( -1.956 13.438 15.892) 20.903 4.018 ( -9.340 -17.261 7.445) 20.990 4.046 ( -1.468 -9.191 11.314) 14.650 4.466 ( 15.530 11.198 4.693) 19.713 4.641 ( 12.671 4.990 1.625) 13.714 4.710 ( 5.028 -5.208 4.214) 8.376 4.790 ( 12.750 -0.709 -1.943) 12.917 4.919 ( 5.863 1.663 3.937) 7.256 5.145 ( 18.015 -15.592 4.934) 24.331 5.418 ( 5.334 15.122 -6.643) 17.356 5.793 ( 8.800 -19.756 -4.368) 22.064 6.339 ( 1.627 2.103 1.319) 2.968 6.415 ( 1.956 -5.542 1.079) 5.976 6.863 ( -13.956 3.089 0.702) 14.311 6.920 ( -10.626 -2.345 4.780) 11.885 7.050 ( -3.703 3.758 -3.916) 6.571 7.111 ( -1.023 -0.098 -4.295) 4.417 7.364 ( -6.709 7.365 -3.074) 10.426 7.544 ( -8.122 -8.062 -5.440) 12.672 8.110 ( 11.285 3.307 -8.577) 14.555 8.157 ( 10.769 -0.842 -11.431) 15.727 8.963 ( -5.506 1.041 -7.020) 8.982 9.031 ( -4.024 -4.881 -2.658) 6.861 10.183 ( 5.420 7.984 -7.572) 12.267 10.282 ( 4.410 -1.802 -12.605) 13.475 10.944 ( -7.790 2.840 -19.724) 21.396 11.025 ( -7.378 -4.572 -14.058) 16.522 12.559 ( 2.263 9.972 4.720) 11.262 12.708 ( 1.247 -2.880 2.643) 4.103 12.929 ( -2.288 -3.292 7.781) 8.753 12.963 ( -0.940 -5.180 7.406) 9.087 14.143 ( 3.706 0.663 2.299) 4.412 14.152 ( 4.120 -0.263 2.236) 4.695 14.422 ( -2.340 3.825 2.981) 5.384 14.498 ( -2.839 -3.199 2.709) 5.063 15.071 ( 1.218 0.810 1.138) 1.853 15.091 ( 1.508 -0.753 1.183) 2.059 15.215 ( -2.096 1.702 0.535) 2.752 15.241 ( -2.065 -0.444 0.475) 2.165 15.505 ( -0.438 0.885 2.397) 2.592 15.554 ( 1.335 -3.345 2.629) 4.459 15.664 ( -2.870 0.829 -2.952) 4.200 15.709 ( -2.007 -2.808 -2.750) 4.413 19.063 ( 1.195 3.461 -0.448) 3.688 19.110 ( 2.821 -1.122 -2.250) 3.779 19.381 ( -4.279 5.053 -8.052) 10.424 19.450 ( -3.126 -2.046 -3.898) 5.399 26.863 ( 2.257 3.545 -0.307) 4.214 26.935 ( 4.601 -3.204 -1.146) 5.723 27.108 ( -2.230 3.597 1.915) 4.645 27.201 ( 0.059 -5.337 1.796) 5.631 27.918 ( 10.851 3.510 7.863) 13.853 27.999 ( 12.485 -4.316 8.144) 15.518 29.001 ( -7.010 4.206 -2.036) 8.425 29.088 ( -5.560 -3.941 -4.531) 8.184 30.625 ( 1.965 5.191 15.739) 16.689 30.697 ( 4.534 -1.157 12.540) 13.385 31.033 ( -2.318 0.511 15.492) 15.673 31.288 ( -4.091 -20.250 13.346) 24.595 33.271 ( 3.180 5.493 -2.876) 6.968 33.322 ( 3.273 1.106 -4.626) 5.774 33.777 ( -4.526 7.086 -6.251) 10.477 33.896 ( -6.127 -3.699 -9.773) 12.114 ======================= Grid point 121 (47/96) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 6.330 11.951 7.351) 15.392 2.187 ( -1.789 3.579 2.434) 4.683 2.310 ( 4.675 4.038 2.476) 6.655 2.408 ( -0.916 1.537 0.387) 1.831 2.787 ( -4.742 5.020 11.771) 13.647 2.863 ( -10.651 1.815 3.871) 11.477 3.049 ( -6.985 -3.738 3.531) 8.673 3.210 ( -16.980 -14.177 9.131) 23.931 3.731 ( 1.593 4.839 11.941) 12.982 3.753 ( -0.238 10.882 14.129) 17.836 3.930 ( -0.904 -13.024 9.083) 15.904 4.009 ( -2.935 -12.553 10.849) 16.849 4.682 ( 8.153 8.995 1.543) 12.238 4.799 ( 5.248 4.174 2.465) 7.144 4.838 ( 4.659 0.339 -1.231) 4.831 4.939 ( 1.697 -3.775 -0.009) 4.138 5.154 ( 18.942 15.563 -5.783) 25.189 5.433 ( 13.745 -1.258 -2.165) 13.972 5.634 ( 13.315 5.600 -0.378) 14.450 5.951 ( 3.806 -15.509 -2.781) 16.209 6.372 ( 1.499 0.876 0.606) 1.839 6.457 ( 1.356 -7.269 1.395) 7.524 6.610 ( -8.324 4.249 3.610) 10.018 6.695 ( -11.506 -3.976 5.479) 13.350 6.979 ( -2.888 9.367 -0.954) 9.848 7.068 ( -4.025 6.033 -5.235) 8.945 7.235 ( -5.584 -3.099 -1.914) 6.667 7.369 ( -9.816 -10.458 -6.043) 15.564 8.358 ( 14.546 1.197 -6.995) 16.185 8.372 ( 11.626 -0.060 -9.904) 15.273 8.820 ( -9.443 0.521 -7.326) 11.963 8.904 ( -9.758 -6.848 -4.059) 12.593 10.322 ( 9.054 7.728 -10.573) 15.921 10.400 ( 7.782 0.607 -11.600) 13.982 10.766 ( -10.311 1.326 -16.140) 19.199 10.845 ( -11.068 -5.448 -11.073) 16.577 12.617 ( 3.800 9.899 5.449) 11.921 12.727 ( -0.003 3.402 4.530) 5.665 12.887 ( -1.475 -7.441 6.327) 9.878 12.933 ( -2.101 -7.973 6.373) 10.421 14.226 ( 4.702 1.318 2.083) 5.309 14.244 ( 5.383 -0.525 2.206) 5.841 14.369 ( -3.144 3.359 2.624) 5.296 14.429 ( -4.321 -2.263 2.734) 5.592 15.100 ( 1.719 1.627 0.735) 2.479 15.122 ( 1.698 -0.250 1.355) 2.187 15.172 ( -2.082 1.770 0.321) 2.752 15.200 ( -2.179 -0.658 0.958) 2.470 15.505 ( 0.612 1.788 1.430) 2.370 15.576 ( 0.386 -2.587 0.842) 2.748 15.601 ( -2.733 -0.740 -1.274) 3.105 15.662 ( -2.742 -4.184 -1.737) 5.295 19.103 ( 3.100 5.207 -1.696) 6.292 19.177 ( 3.996 -1.409 -1.998) 4.684 19.286 ( -5.241 5.024 -5.572) 9.151 19.372 ( -4.916 -3.054 -3.068) 6.550 26.920 ( 3.544 5.450 -0.992) 6.576 27.027 ( 3.981 -2.760 -1.538) 5.083 27.060 ( -1.967 3.047 0.510) 3.663 27.181 ( -2.211 -6.695 -0.202) 7.054 28.187 ( 17.054 5.232 5.464) 18.656 28.308 ( 19.029 -6.325 3.717) 20.394 28.810 ( -13.193 5.352 -0.583) 14.249 28.929 ( -11.513 -5.814 -3.494) 13.363 30.686 ( 4.364 7.352 14.777) 17.071 30.783 ( 3.279 4.065 12.338) 13.397 30.992 ( -0.772 -8.470 16.245) 18.337 31.183 ( -6.831 -19.378 13.919) 24.818 33.358 ( 5.948 6.423 -3.377) 9.383 33.409 ( 5.816 2.432 -5.302) 8.237 33.665 ( -6.911 4.468 -4.812) 9.533 33.748 ( -8.973 -2.425 -7.613) 12.015 ======================= Grid point 122 (48/96) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -4.078 10.487 2.883) 11.615 2.159 ( 4.078 10.487 2.883) 11.615 2.360 ( -4.078 -6.540 6.101) 9.830 2.360 ( 4.078 -6.540 6.101) 9.830 2.722 ( -3.039 13.042 5.881) 14.626 2.722 ( 3.039 13.042 5.881) 14.626 3.029 ( -3.530 -15.327 6.173) 16.897 3.029 ( 3.530 -15.327 6.173) 16.897 3.749 ( -0.481 6.697 12.478) 14.170 3.749 ( 0.481 6.697 12.478) 14.170 3.952 ( -2.660 -11.787 9.937) 15.645 3.952 ( 2.660 -11.787 9.937) 15.645 4.802 ( -4.583 7.530 -2.120) 9.067 4.802 ( 4.583 7.530 -2.120) 9.067 4.908 ( -3.904 -1.723 1.632) 4.569 4.908 ( 3.904 -1.723 1.632) 4.569 5.495 ( -12.848 17.566 -6.522) 22.719 5.495 ( 12.848 17.566 -6.522) 22.719 5.846 ( -13.102 -14.466 -2.233) 19.645 5.846 ( 13.102 -14.466 -2.233) 19.645 6.427 ( -6.908 6.561 4.656) 10.604 6.427 ( 6.908 6.561 4.656) 10.604 6.577 ( -0.342 -6.344 3.456) 7.232 6.577 ( 0.342 -6.344 3.456) 7.232 6.980 ( -3.562 10.099 -2.028) 10.899 6.980 ( 3.562 10.099 -2.028) 10.899 7.220 ( -4.477 -11.722 -4.030) 13.180 7.220 ( 4.477 -11.722 -4.030) 13.180 8.559 ( -3.468 4.909 -5.534) 8.170 8.559 ( 3.468 4.909 -5.534) 8.170 8.700 ( -6.612 -8.349 -8.654) 13.723 8.700 ( 6.612 -8.349 -8.654) 13.723 10.483 ( -4.934 9.592 -13.046) 16.928 10.483 ( 4.934 9.592 -13.046) 16.928 10.661 ( -5.164 -7.554 -10.373) 13.832 10.661 ( 5.164 -7.554 -10.373) 13.832 12.690 ( -3.558 9.139 5.976) 11.484 12.690 ( 3.558 9.139 5.976) 11.484 12.893 ( -1.815 -10.372 5.399) 11.833 12.893 ( 1.815 -10.372 5.399) 11.833 14.306 ( -3.756 2.336 2.242) 4.959 14.306 ( 3.756 2.336 2.242) 4.959 14.342 ( -4.989 -1.166 2.498) 5.700 14.342 ( 4.989 -1.166 2.498) 5.700 15.132 ( -1.489 2.255 0.626) 2.774 15.132 ( 1.489 2.255 0.626) 2.774 15.162 ( -1.707 -0.782 0.937) 2.099 15.162 ( 1.707 -0.782 0.937) 2.099 15.533 ( -2.408 2.155 -0.118) 3.234 15.533 ( 2.408 2.155 -0.118) 3.234 15.616 ( -2.082 -5.314 -0.198) 5.711 15.616 ( 2.082 -5.314 -0.198) 5.711 19.175 ( -4.357 6.516 -3.118) 8.436 19.175 ( 4.357 6.516 -3.118) 8.436 19.278 ( -4.731 -3.563 -2.546) 6.447 19.278 ( 4.731 -3.563 -2.546) 6.447 26.988 ( -3.651 6.163 -0.745) 7.202 26.988 ( 3.651 6.163 -0.745) 7.202 27.122 ( -4.071 -6.525 -1.052) 7.762 27.122 ( 4.071 -6.525 -1.052) 7.762 28.513 ( -16.329 6.678 2.197) 17.778 28.513 ( 16.329 6.678 2.197) 17.778 28.663 ( -16.138 -7.612 -1.000) 17.871 28.663 ( 16.138 -7.612 -1.000) 17.871 30.770 ( -3.885 9.560 13.574) 17.051 30.770 ( 3.885 9.560 13.574) 17.051 31.052 ( -6.446 -17.969 15.116) 24.350 31.052 ( 6.446 -17.969 15.116) 24.350 33.471 ( -3.882 8.740 -5.168) 10.871 33.471 ( 3.882 8.740 -5.168) 10.871 33.598 ( -4.653 -3.083 -4.799) 7.360 33.598 ( 4.653 -3.083 -4.799) 7.360 ======================= Grid point 147 (49/96) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 0.000 0.000 30.796) 30.796 1.865 ( 0.000 0.000 5.238) 5.238 1.982 ( 0.000 0.000 -0.938) 0.938 2.062 ( 0.000 0.000 15.783) 15.783 2.489 ( 0.000 0.000 2.242) 2.242 2.841 ( 0.000 0.000 33.994) 33.994 3.340 ( 0.000 0.000 -1.484) 1.484 3.490 ( 0.000 0.000 -4.770) 4.770 3.521 ( 0.000 0.000 30.034) 30.034 3.998 ( 0.000 0.000 9.753) 9.753 4.188 ( 0.000 0.000 -16.344) 16.344 4.245 ( 0.000 0.000 10.263) 10.263 4.441 ( 0.000 0.000 6.007) 6.007 4.723 ( 0.000 0.000 4.166) 4.166 4.940 ( 0.000 0.000 -1.134) 1.134 5.019 ( 0.000 0.000 -2.814) 2.814 5.421 ( 0.000 0.000 13.646) 13.646 5.611 ( 0.000 0.000 3.458) 3.458 6.074 ( 0.000 0.000 13.568) 13.568 6.118 ( 0.000 0.000 -9.448) 9.448 6.161 ( 0.000 0.000 -2.914) 2.914 6.379 ( 0.000 0.000 -10.287) 10.287 6.761 ( 0.000 0.000 0.186) 0.186 6.895 ( 0.000 0.000 -5.474) 5.474 7.084 ( 0.000 0.000 -5.783) 5.783 7.227 ( 0.000 0.000 -9.789) 9.789 7.234 ( 0.000 0.000 -3.947) 3.947 7.417 ( 0.000 0.000 -7.807) 7.807 7.728 ( 0.000 0.000 -5.937) 5.937 8.200 ( 0.000 0.000 17.686) 17.686 8.775 ( 0.000 0.000 -23.102) 23.102 9.265 ( 0.000 0.000 -2.412) 2.412 9.474 ( 0.000 0.000 -1.793) 1.793 9.703 ( 0.000 0.000 -20.794) 20.794 10.620 ( 0.000 0.000 -9.903) 9.903 11.081 ( 0.000 0.000 -8.820) 8.820 12.280 ( 0.000 0.000 9.663) 9.663 12.770 ( 0.000 0.000 -1.392) 1.392 13.360 ( 0.000 0.000 6.522) 6.522 13.399 ( 0.000 0.000 4.403) 4.403 14.031 ( 0.000 0.000 -1.087) 1.087 14.091 ( 0.000 0.000 -0.878) 0.878 14.378 ( 0.000 0.000 3.990) 3.990 14.545 ( 0.000 0.000 0.934) 0.934 15.101 ( 0.000 0.000 3.882) 3.882 15.106 ( 0.000 0.000 1.235) 1.235 15.240 ( 0.000 0.000 2.100) 2.100 15.427 ( 0.000 0.000 0.380) 0.380 15.567 ( 0.000 0.000 0.241) 0.241 15.744 ( 0.000 0.000 -3.735) 3.735 15.763 ( 0.000 0.000 -0.990) 0.990 15.887 ( 0.000 0.000 -2.532) 2.532 18.615 ( 0.000 0.000 3.206) 3.206 18.932 ( 0.000 0.000 -4.611) 4.611 19.076 ( 0.000 0.000 5.568) 5.568 19.498 ( 0.000 0.000 -2.629) 2.629 26.856 ( 0.000 0.000 4.963) 4.963 26.957 ( 0.000 0.000 -0.248) 0.248 27.097 ( 0.000 0.000 -2.989) 2.989 27.398 ( 0.000 0.000 0.133) 0.133 27.870 ( 0.000 0.000 8.651) 8.651 28.155 ( 0.000 0.000 4.051) 4.051 28.887 ( 0.000 0.000 -4.413) 4.413 29.055 ( 0.000 0.000 -9.572) 9.572 30.618 ( 0.000 0.000 14.952) 14.952 30.898 ( 0.000 0.000 2.850) 2.850 32.539 ( 0.000 0.000 3.800) 3.800 32.808 ( 0.000 0.000 -1.125) 1.125 32.882 ( 0.000 0.000 7.949) 7.949 32.953 ( 0.000 0.000 1.491) 1.491 33.203 ( 0.000 0.000 -4.681) 4.681 33.359 ( 0.000 0.000 -2.775) 2.775 ======================= Grid point 148 (50/96) ======================= q-point: ( 0.17 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -1.887 0.000 23.800) 23.875 1.872 ( 0.580 0.000 1.831) 1.920 1.979 ( -0.806 0.000 -1.744) 1.922 2.111 ( 6.358 0.000 16.013) 17.229 2.584 ( 7.492 0.000 2.047) 7.767 3.042 ( 8.969 0.000 23.334) 24.998 3.347 ( 1.382 0.000 -0.769) 1.581 3.414 ( -3.190 0.000 28.495) 28.673 3.508 ( 1.601 0.000 -3.947) 4.259 4.087 ( 8.407 0.000 12.063) 14.703 4.154 ( -3.305 0.000 -8.072) 8.722 4.272 ( 3.242 0.000 10.569) 11.055 4.517 ( 6.763 0.000 2.684) 7.276 4.739 ( 1.680 0.000 4.365) 4.677 4.918 ( -2.399 0.000 -1.050) 2.618 5.010 ( -1.027 0.000 -1.752) 2.031 5.364 ( -5.049 0.000 10.420) 11.578 5.570 ( -4.734 0.000 5.998) 7.641 5.960 ( -12.501 0.000 -6.764) 14.214 6.024 ( -4.840 0.000 2.601) 5.495 6.083 ( -9.687 0.000 -5.032) 10.916 6.444 ( 5.708 0.000 2.320) 6.162 6.639 ( -4.367 0.000 -1.865) 4.749 6.858 ( -9.689 0.000 2.182) 9.932 7.109 ( -6.595 0.000 -6.363) 9.164 7.176 ( 8.699 0.000 -5.948) 10.538 7.308 ( 2.686 0.000 -7.530) 7.994 7.483 ( 5.391 0.000 -7.793) 9.477 7.868 ( 10.521 0.000 -8.533) 13.546 8.277 ( 10.250 0.000 14.600) 17.839 8.769 ( -0.893 0.000 -20.893) 20.912 9.254 ( -1.779 0.000 -3.052) 3.532 9.446 ( -1.397 0.000 -8.269) 8.386 9.731 ( 1.273 0.000 -19.038) 19.080 10.630 ( 1.615 0.000 -7.688) 7.856 11.057 ( -2.747 0.000 -7.371) 7.867 12.305 ( 2.648 0.000 9.047) 9.427 12.731 ( -4.118 0.000 -0.181) 4.122 13.365 ( 1.306 0.000 5.924) 6.066 13.435 ( 2.778 0.000 3.405) 4.394 14.032 ( 0.659 0.000 -0.643) 0.921 14.124 ( 2.741 0.000 -1.760) 3.257 14.361 ( -1.588 0.000 4.153) 4.446 14.525 ( -2.104 0.000 0.944) 2.306 15.066 ( -3.227 0.000 1.360) 3.502 15.116 ( 0.015 0.000 2.936) 2.936 15.237 ( -10.482 0.000 4.442) 11.384 15.243 ( -1.392 0.000 1.365) 1.950 15.629 ( 0.106 0.000 -1.745) 1.748 15.672 ( -2.227 0.000 -1.933) 2.950 15.865 ( 5.183 0.000 -2.456) 5.736 15.909 ( 2.598 0.000 -1.974) 3.263 18.631 ( 1.716 0.000 3.158) 3.594 18.891 ( -3.522 0.000 -1.514) 3.834 19.125 ( 4.354 0.000 2.433) 4.988 19.475 ( -2.343 0.000 -2.569) 3.477 26.793 ( -3.847 0.000 3.635) 5.293 26.993 ( -3.608 0.000 -1.411) 3.874 27.072 ( 4.167 0.000 0.793) 4.242 27.434 ( 1.720 0.000 -3.019) 3.474 27.957 ( 8.154 0.000 7.778) 11.269 28.257 ( 10.798 0.000 2.400) 11.062 28.815 ( -7.361 0.000 -3.874) 8.319 29.035 ( -2.392 0.000 -9.597) 9.891 30.661 ( 4.423 0.000 14.871) 15.515 30.913 ( 1.282 0.000 4.175) 4.367 32.551 ( 1.303 0.000 3.643) 3.869 32.772 ( -3.197 0.000 0.067) 3.198 32.876 ( -0.430 0.000 7.427) 7.439 32.987 ( 2.999 0.000 0.228) 3.007 33.192 ( -1.239 0.000 -4.427) 4.597 33.275 ( -8.307 0.000 -0.816) 8.347 ======================= Grid point 149 (51/96) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 18.382 0.000 8.023) 20.057 1.888 ( 1.247 0.000 -1.267) 1.777 1.953 ( -1.793 0.000 -2.634) 3.186 2.296 ( 12.395 0.000 12.418) 17.546 2.654 ( -1.761 0.000 2.156) 2.784 2.815 ( -24.338 0.000 1.783) 24.403 3.413 ( 5.441 0.000 0.215) 5.445 3.532 ( 0.454 0.000 -2.240) 2.285 3.631 ( 16.261 0.000 31.992) 35.887 4.058 ( -7.207 0.000 6.598) 9.771 4.304 ( 14.447 0.000 9.249) 17.154 4.386 ( 9.340 0.000 10.360) 13.948 4.628 ( 3.051 0.000 2.051) 3.676 4.760 ( -1.996 0.000 5.582) 5.928 4.861 ( -1.725 0.000 -0.212) 1.738 4.974 ( -3.012 0.000 0.330) 3.030 5.271 ( -3.706 0.000 6.301) 7.310 5.430 ( -9.528 0.000 0.820) 9.563 5.748 ( -8.214 0.000 -6.917) 10.739 5.861 ( -12.004 0.000 -5.081) 13.035 5.991 ( 4.094 0.000 2.251) 4.672 6.472 ( -9.801 0.000 3.029) 10.258 6.595 ( 0.582 0.000 11.215) 11.230 6.786 ( 8.743 0.000 -1.471) 8.866 6.951 ( -10.560 0.000 -2.358) 10.820 7.238 ( -9.753 0.000 0.384) 9.761 7.358 ( 9.698 0.000 -6.252) 11.538 7.554 ( 1.052 0.000 -7.098) 7.175 8.108 ( 15.503 0.000 -12.701) 20.041 8.498 ( 5.978 0.000 -1.714) 6.219 8.770 ( 4.869 0.000 -9.808) 10.950 9.174 ( -7.244 0.000 -2.873) 7.793 9.465 ( 3.871 0.000 -16.390) 16.841 9.702 ( -4.708 0.000 -20.649) 21.179 10.701 ( 6.108 0.000 -3.352) 6.967 10.975 ( -6.059 0.000 -4.269) 7.412 12.378 ( 5.158 0.000 7.403) 9.023 12.625 ( -6.839 0.000 2.503) 7.283 13.412 ( 3.297 0.000 4.320) 5.435 13.476 ( 1.127 0.000 2.317) 2.577 14.063 ( 2.662 0.000 -0.500) 2.709 14.159 ( 0.111 0.000 -2.373) 2.376 14.343 ( 0.698 0.000 3.901) 3.963 14.469 ( -3.744 0.000 1.129) 3.911 14.989 ( -4.545 0.000 1.671) 4.843 15.017 ( -6.385 0.000 2.203) 6.755 15.173 ( 1.676 0.000 4.131) 4.458 15.236 ( -0.840 0.000 3.380) 3.482 15.597 ( -1.296 0.000 -2.265) 2.609 15.640 ( -2.288 0.000 -2.135) 3.130 15.933 ( 2.817 0.000 -1.339) 3.118 15.964 ( 2.038 0.000 -1.902) 2.788 18.677 ( 3.087 0.000 2.939) 4.263 18.818 ( -4.092 0.000 1.051) 4.225 19.219 ( 5.470 0.000 -0.227) 5.475 19.413 ( -4.261 0.000 -2.307) 4.846 26.754 ( -0.079 0.000 2.086) 2.088 26.884 ( -5.999 0.000 0.333) 6.009 27.202 ( 7.791 0.000 -0.941) 7.848 27.425 ( -2.782 0.000 -3.749) 4.669 28.140 ( 11.329 0.000 5.882) 12.765 28.502 ( 11.077 0.000 0.698) 11.098 28.643 ( -7.938 0.000 -4.815) 9.285 28.956 ( -6.404 0.000 -9.302) 11.293 30.768 ( 6.480 0.000 14.045) 15.468 30.925 ( -0.627 0.000 7.619) 7.645 32.587 ( 2.445 0.000 3.183) 4.014 32.706 ( -3.665 0.000 1.427) 3.933 32.879 ( 1.270 0.000 6.160) 6.290 33.048 ( 3.369 0.000 -1.335) 3.624 33.093 ( -9.905 0.000 2.509) 10.218 33.158 ( -2.283 0.000 -3.713) 4.359 ======================= Grid point 150 (52/96) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -1.853 0.000 -2.515) 3.124 1.918 ( 1.853 0.000 -2.515) 3.124 2.308 ( -28.029 0.000 -1.049) 28.049 2.308 ( 28.029 0.000 -1.049) 28.049 2.525 ( -10.898 0.000 6.420) 12.649 2.525 ( 10.898 0.000 6.420) 12.649 3.506 ( -3.510 0.000 -0.555) 3.553 3.506 ( 3.510 0.000 -0.555) 3.553 3.885 ( -11.258 0.000 20.568) 23.447 3.885 ( 11.258 0.000 20.568) 23.447 4.560 ( -10.517 0.000 5.844) 12.032 4.560 ( 10.517 0.000 5.844) 12.032 4.603 ( -12.313 0.000 7.779) 14.564 4.603 ( 12.313 0.000 7.779) 14.564 4.903 ( -4.083 0.000 1.328) 4.294 4.903 ( 4.083 0.000 1.328) 4.294 5.278 ( -5.089 0.000 0.450) 5.109 5.278 ( 5.089 0.000 0.450) 5.109 5.702 ( -3.642 0.000 -6.385) 7.351 5.702 ( 3.642 0.000 -6.385) 7.351 6.186 ( -15.321 0.000 4.561) 15.985 6.186 ( 15.321 0.000 4.561) 15.985 6.733 ( -10.859 0.000 5.241) 12.057 6.733 ( 10.859 0.000 5.241) 12.057 7.014 ( -12.961 0.000 1.291) 13.026 7.014 ( 12.961 0.000 1.291) 13.026 7.508 ( -5.763 0.000 -6.464) 8.660 7.508 ( 5.763 0.000 -6.464) 8.660 8.392 ( -13.048 0.000 -13.796) 18.989 8.392 ( 13.048 0.000 -13.796) 18.989 8.982 ( -12.903 0.000 -1.110) 12.951 8.982 ( 12.903 0.000 -1.110) 12.951 9.579 ( -7.418 0.000 -20.829) 22.111 9.579 ( 7.418 0.000 -20.829) 22.111 10.839 ( -7.990 0.000 -2.093) 8.260 10.839 ( 7.990 0.000 -2.093) 8.260 12.493 ( -6.926 0.000 5.153) 8.633 12.493 ( 6.926 0.000 5.153) 8.633 13.467 ( -2.088 0.000 2.825) 3.513 13.467 ( 2.088 0.000 2.825) 3.513 14.123 ( -3.265 0.000 -1.052) 3.430 14.123 ( 3.265 0.000 -1.052) 3.430 14.394 ( -3.981 0.000 1.995) 4.453 14.394 ( 3.981 0.000 1.995) 4.453 14.949 ( -1.005 0.000 1.778) 2.042 14.949 ( 1.005 0.000 1.778) 2.042 15.210 ( -1.899 0.000 3.868) 4.309 15.210 ( 1.899 0.000 3.868) 4.309 15.600 ( -1.485 0.000 -2.237) 2.685 15.600 ( 1.485 0.000 -2.237) 2.685 15.972 ( -1.055 0.000 -1.361) 1.722 15.972 ( 1.055 0.000 -1.361) 1.722 18.743 ( -3.897 0.000 2.347) 4.549 18.743 ( 3.897 0.000 2.347) 4.549 19.321 ( -5.377 0.000 -1.632) 5.619 19.321 ( 5.377 0.000 -1.632) 5.619 26.790 ( -3.765 0.000 0.975) 3.889 26.790 ( 3.765 0.000 0.975) 3.889 27.337 ( -6.310 0.000 -2.542) 6.803 27.337 ( 6.310 0.000 -2.542) 6.803 28.371 ( -12.944 0.000 3.410) 13.385 28.371 ( 12.944 0.000 3.410) 13.385 28.790 ( -11.363 0.000 -8.120) 13.966 28.790 ( 11.363 0.000 -8.120) 13.966 30.877 ( -4.557 0.000 11.533) 12.401 30.877 ( 4.557 0.000 11.533) 12.401 32.641 ( -3.281 0.000 2.443) 4.091 32.641 ( 3.281 0.000 2.443) 4.091 32.942 ( -5.763 0.000 4.656) 7.408 32.942 ( 5.763 0.000 4.656) 7.408 33.109 ( -3.016 0.000 -2.649) 4.014 33.109 ( 3.016 0.000 -2.649) 4.014 ======================= Grid point 154 (53/96) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 0.000 2.364 21.233) 21.364 1.934 ( 0.000 6.176 12.395) 13.848 2.080 ( 0.000 7.808 2.704) 8.263 2.095 ( 0.000 3.321 11.623) 12.088 2.720 ( 0.000 19.703 2.175) 19.823 2.978 ( 0.000 11.661 20.183) 23.310 3.368 ( 0.000 2.298 0.484) 2.348 3.524 ( 0.000 0.404 27.428) 27.431 3.559 ( 0.000 5.016 1.190) 5.155 3.991 ( 0.000 0.294 12.791) 12.795 4.170 ( 0.000 -0.518 -14.932) 14.941 4.318 ( 0.000 5.685 5.724) 8.068 4.385 ( 0.000 -4.294 5.710) 7.144 4.693 ( 0.000 -3.145 5.973) 6.751 4.955 ( 0.000 1.524 -1.624) 2.227 4.970 ( 0.000 -4.471 -1.166) 4.621 5.329 ( 0.000 -7.749 11.649) 13.991 5.422 ( 0.000 -17.113 3.899) 17.552 5.748 ( 0.000 -14.731 2.637) 14.965 6.167 ( 0.000 -2.114 -2.698) 3.428 6.319 ( 0.000 -4.622 -10.542) 11.511 6.433 ( 0.000 12.133 4.053) 12.792 6.780 ( 0.000 3.175 0.870) 3.292 6.896 ( 0.000 0.267 -6.423) 6.429 7.100 ( 0.000 0.740 -6.406) 6.448 7.101 ( 0.000 -8.233 -8.006) 11.484 7.265 ( 0.000 2.812 -1.946) 3.420 7.486 ( 0.000 4.248 -6.731) 7.959 7.728 ( 0.000 0.162 -6.895) 6.897 8.130 ( 0.000 -6.126 13.643) 14.956 8.732 ( 0.000 -3.102 -22.911) 23.120 9.189 ( 0.000 -6.322 -6.560) 9.111 9.630 ( 0.000 13.074 -0.284) 13.077 9.783 ( 0.000 6.602 -16.388) 17.668 10.595 ( 0.000 -2.214 -11.747) 11.954 11.044 ( 0.000 -3.576 -9.901) 10.527 12.338 ( 0.000 5.385 9.195) 10.656 12.768 ( 0.000 -0.079 -0.772) 0.776 13.316 ( 0.000 -3.951 6.672) 7.754 13.337 ( 0.000 -5.260 5.290) 7.460 14.066 ( 0.000 2.874 -0.439) 2.908 14.114 ( 0.000 1.929 0.121) 1.932 14.390 ( 0.000 1.197 3.608) 3.802 14.554 ( 0.000 0.847 0.541) 1.005 15.112 ( 0.000 0.985 3.847) 3.971 15.130 ( 0.000 2.039 1.167) 2.350 15.235 ( 0.000 -0.426 1.855) 1.904 15.383 ( 0.000 -4.408 1.440) 4.638 15.563 ( 0.000 -0.353 0.375) 0.515 15.676 ( 0.000 -4.765 -1.536) 5.007 15.751 ( 0.000 -1.091 -1.374) 1.755 15.827 ( 0.000 -5.196 -2.037) 5.581 18.764 ( 0.000 12.386 -1.094) 12.434 18.944 ( 0.000 1.177 -4.402) 4.557 19.082 ( 0.000 0.477 4.485) 4.511 19.485 ( 0.000 -1.231 -2.992) 3.235 26.856 ( 0.000 -0.087 4.165) 4.166 26.945 ( 0.000 -1.123 -0.275) 1.156 27.094 ( 0.000 -0.062 -1.944) 1.945 27.377 ( 0.000 -2.020 0.150) 2.025 27.882 ( 0.000 1.227 8.424) 8.513 28.138 ( 0.000 -1.546 4.152) 4.431 28.903 ( 0.000 1.470 -4.176) 4.427 29.050 ( 0.000 -0.492 -9.223) 9.236 30.658 ( 0.000 4.027 14.758) 15.297 30.877 ( 0.000 -1.616 4.549) 4.828 32.241 ( 0.000 -24.573 13.162) 27.876 32.542 ( 0.000 -21.650 8.746) 23.349 32.923 ( 0.000 6.607 -4.689) 8.102 32.946 ( 0.000 3.454 -0.833) 3.553 33.388 ( 0.000 10.877 -2.036) 11.066 33.559 ( 0.000 11.733 -7.283) 13.809 ======================= Grid point 155 (54/96) ======================= q-point: ( 0.17 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -0.581 4.779 17.234) 17.893 1.982 ( 3.217 7.552 5.574) 9.922 2.051 ( -1.567 6.022 1.287) 6.354 2.160 ( 6.108 5.220 15.246) 17.233 2.710 ( 0.976 12.251 3.249) 12.712 3.064 ( 0.144 1.887 8.557) 8.764 3.352 ( -4.297 -0.178 7.698) 8.818 3.485 ( 2.531 4.691 14.401) 15.355 3.606 ( 5.328 9.649 8.638) 14.003 4.090 ( 6.555 -0.815 10.265) 12.206 4.168 ( 2.912 3.294 -4.321) 6.164 4.326 ( 1.547 3.704 6.554) 7.686 4.451 ( 5.984 -4.649 2.857) 8.098 4.700 ( 0.595 -4.273 6.114) 7.483 4.933 ( -2.652 1.554 -1.588) 3.460 4.950 ( -2.733 -5.436 0.854) 6.144 5.238 ( -6.529 -10.521 7.486) 14.469 5.348 ( -7.525 -15.324 2.890) 17.315 5.775 ( 3.465 -7.896 2.285) 8.920 6.167 ( -2.521 6.340 -1.679) 7.026 6.311 ( -5.863 3.077 -11.770) 13.505 6.417 ( 2.344 5.608 8.881) 10.762 6.649 ( -7.338 1.534 -3.720) 8.369 6.862 ( -7.573 0.944 1.583) 7.794 7.001 ( -2.276 -8.286 -7.643) 11.500 7.202 ( -2.241 -4.963 -1.335) 5.606 7.234 ( 5.370 1.541 -5.650) 7.946 7.533 ( 1.944 2.277 -7.587) 8.157 7.875 ( 11.635 0.615 -8.950) 14.692 8.213 ( 10.712 -5.337 12.238) 17.118 8.718 ( -1.749 -3.692 -21.111) 21.503 9.177 ( -1.801 -6.301 -6.855) 9.483 9.588 ( -2.215 11.688 -7.214) 13.913 9.824 ( 1.945 7.902 -14.511) 16.637 10.597 ( 0.929 -2.943 -9.232) 9.734 11.017 ( -3.051 -3.842 -8.515) 9.828 12.362 ( 2.490 5.271 8.691) 10.465 12.739 ( -3.217 0.793 0.366) 3.333 13.312 ( 0.606 -4.745 6.050) 7.712 13.367 ( 2.054 -5.768 4.408) 7.545 14.076 ( 1.333 3.515 -0.169) 3.763 14.149 ( 3.087 2.077 -0.682) 3.783 14.370 ( -1.853 0.993 3.795) 4.338 14.535 ( -2.127 0.832 0.599) 2.361 15.092 ( -2.528 2.272 1.599) 3.756 15.128 ( -0.282 1.121 2.591) 2.837 15.228 ( -8.032 -0.914 4.826) 9.414 15.241 ( -1.858 -0.178 1.040) 2.136 15.620 ( -0.137 -0.836 -1.623) 1.831 15.632 ( -1.299 -3.787 -1.218) 4.185 15.809 ( 4.288 -4.445 -1.404) 6.334 15.841 ( 1.616 -5.446 -1.233) 5.813 18.767 ( 0.364 11.364 -0.494) 11.380 18.913 ( -2.656 2.033 -1.953) 3.874 19.126 ( 4.030 0.065 1.915) 4.462 19.463 ( -2.282 -1.183 -2.900) 3.875 26.802 ( -3.212 0.808 3.140) 4.564 26.989 ( -1.146 -0.468 -1.483) 1.932 27.067 ( 2.066 -0.264 0.942) 2.286 27.401 ( 1.051 -3.116 -2.466) 4.110 27.968 ( 8.229 1.175 7.572) 11.244 28.241 ( 10.707 -1.532 2.651) 11.137 28.833 ( -7.236 1.630 -3.592) 8.241 29.027 ( -2.688 -0.757 -9.093) 9.512 30.693 ( 3.662 3.327 14.664) 15.476 30.894 ( 1.475 -1.420 5.580) 5.944 32.250 ( 1.004 -24.723 12.825) 27.870 32.510 ( -3.272 -21.820 8.870) 23.780 32.910 ( -0.463 6.590 -3.579) 7.513 32.969 ( 1.395 3.874 -2.613) 4.877 33.378 ( -1.071 10.845 -1.892) 11.061 33.502 ( -5.423 12.555 -5.509) 14.744 ======================= Grid point 156 (55/96) ======================= q-point: ( 0.33 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 9.507 2.241 5.178) 11.056 2.013 ( -2.277 4.116 -1.221) 4.860 2.064 ( 7.439 11.254 1.838) 13.615 2.329 ( 10.910 4.605 13.997) 18.335 2.682 ( -6.594 3.191 3.240) 8.011 2.858 ( -17.684 2.815 0.734) 17.921 3.356 ( 5.370 -2.959 5.039) 7.936 3.529 ( -0.398 0.026 -0.753) 0.852 3.761 ( 9.802 8.982 22.234) 25.905 4.061 ( -5.264 -1.180 7.523) 9.257 4.369 ( 7.637 3.660 6.729) 10.817 4.433 ( 14.731 5.759 8.492) 17.953 4.572 ( 5.972 -4.770 1.310) 7.755 4.689 ( -2.928 -9.478 6.372) 11.790 4.841 ( -7.206 -6.762 1.168) 9.951 4.858 ( -6.065 0.083 4.780) 7.723 5.161 ( -1.216 -6.700 2.553) 7.272 5.230 ( -3.853 -9.187 -4.097) 10.772 5.882 ( 7.801 1.555 3.425) 8.660 6.054 ( -7.718 14.219 -2.871) 16.431 6.115 ( -9.438 11.430 -8.401) 17.038 6.474 ( -11.341 0.083 1.671) 11.464 6.545 ( 4.460 -3.579 12.246) 13.516 6.785 ( 5.368 0.051 -2.786) 6.048 6.925 ( -8.291 -2.570 -2.620) 9.067 7.147 ( -5.741 -7.809 2.120) 9.921 7.335 ( 6.255 -2.018 -4.931) 8.217 7.522 ( -1.799 -3.183 -6.745) 7.672 8.121 ( 14.309 1.067 -12.050) 18.737 8.459 ( 8.603 -3.347 1.378) 9.333 8.687 ( 2.302 -6.459 -13.239) 14.909 9.096 ( -7.482 -6.453 -5.605) 11.359 9.594 ( 3.191 10.715 -14.798) 18.546 9.805 ( -4.103 8.956 -17.566) 20.140 10.656 ( 5.565 -4.234 -4.461) 8.294 10.928 ( -6.433 -4.464 -5.467) 9.550 12.430 ( 4.795 4.874 7.323) 10.019 12.652 ( -5.833 2.574 2.910) 7.009 13.343 ( 2.414 -6.123 4.496) 7.971 13.395 ( 0.651 -6.933 3.256) 7.687 14.118 ( 2.970 4.377 -0.161) 5.292 14.198 ( 1.079 3.263 -1.559) 3.774 14.346 ( 0.359 0.307 3.883) 3.911 14.477 ( -3.948 0.635 0.976) 4.116 15.025 ( -4.385 3.316 1.650) 5.740 15.043 ( -5.114 2.341 2.164) 6.027 15.176 ( 1.511 0.281 3.930) 4.220 15.235 ( -0.715 -0.127 3.110) 3.193 15.580 ( -1.379 -1.705 -1.795) 2.834 15.615 ( -2.022 -2.266 -1.881) 3.572 15.873 ( 2.235 -5.406 -0.879) 5.916 15.881 ( 2.060 -6.871 -0.829) 7.221 18.781 ( 1.238 8.937 0.485) 9.035 18.861 ( -2.791 3.812 0.083) 4.725 19.215 ( 5.227 -0.426 -0.473) 5.265 19.403 ( -4.141 -1.039 -2.562) 4.979 26.772 ( 0.271 1.746 1.760) 2.494 26.901 ( -5.557 1.642 0.084) 5.795 27.178 ( 7.206 -2.277 -0.940) 7.615 27.386 ( -2.708 -3.620 -3.402) 5.658 28.158 ( 11.740 1.703 5.695) 13.160 28.489 ( 13.100 -1.389 -0.002) 13.173 28.656 ( -9.997 1.443 -3.208) 10.598 28.940 ( -6.822 -1.409 -8.534) 11.017 30.783 ( 5.445 1.731 13.893) 15.022 30.911 ( -0.206 -0.876 8.376) 8.424 32.282 ( 2.465 -24.703 11.790) 27.483 32.431 ( -4.807 -22.587 9.337) 24.909 32.916 ( 1.170 7.254 -3.819) 8.281 32.980 ( -0.519 4.807 -4.010) 6.281 33.354 ( -1.246 11.021 -1.469) 11.188 33.396 ( -4.838 13.204 -2.240) 14.240 ======================= Grid point 157 (56/96) ======================= q-point: (-0.50 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -4.041 2.897 -1.280) 5.134 1.958 ( 4.041 2.897 -1.280) 5.134 2.336 ( -18.242 4.509 1.396) 18.842 2.336 ( 18.242 4.509 1.396) 18.842 2.600 ( -9.519 5.366 6.267) 12.597 2.600 ( 9.519 5.366 6.267) 12.597 3.471 ( -5.422 -2.830 -0.103) 6.117 3.471 ( 5.422 -2.830 -0.103) 6.117 3.933 ( -8.250 2.835 18.269) 20.245 3.933 ( 8.250 2.835 18.269) 20.245 4.520 ( -9.024 -2.569 5.346) 10.799 4.520 ( 9.024 -2.569 5.346) 10.799 4.686 ( -7.854 -3.896 3.151) 9.316 4.686 ( 7.854 -3.896 3.151) 9.316 4.736 ( -6.183 -1.562 6.087) 8.815 4.736 ( 6.183 -1.562 6.087) 8.815 5.179 ( -2.300 -4.794 -3.162) 6.186 5.179 ( 2.300 -4.794 -3.162) 6.186 5.956 ( -2.682 16.799 -4.812) 17.680 5.956 ( 2.682 16.799 -4.812) 17.680 6.179 ( -15.043 -1.147 3.952) 15.595 6.179 ( 15.043 -1.147 3.952) 15.595 6.716 ( -11.064 -1.389 5.482) 12.426 6.716 ( 11.064 -1.389 5.482) 12.426 6.975 ( -10.893 -3.535 0.693) 11.473 6.975 ( 10.893 -3.535 0.693) 11.473 7.458 ( -5.556 -4.694 -5.986) 9.420 7.458 ( 5.556 -4.694 -5.986) 9.420 8.375 ( -11.815 -1.191 -12.600) 17.314 8.375 ( 11.815 -1.191 -12.600) 17.314 8.895 ( -13.590 -7.225 -2.723) 15.630 8.895 ( 13.590 -7.225 -2.723) 15.630 9.695 ( -6.727 9.894 -18.701) 22.201 9.695 ( 6.727 9.894 -18.701) 22.201 10.789 ( -7.976 -4.783 -3.227) 9.844 10.789 ( 7.976 -4.783 -3.227) 9.844 12.535 ( -6.255 4.032 5.360) 9.171 12.535 ( 6.255 4.032 5.360) 9.171 13.385 ( -1.656 -7.137 3.307) 8.039 13.385 ( 1.656 -7.137 3.307) 8.039 14.175 ( -2.789 4.313 -0.464) 5.157 14.175 ( 2.789 4.313 -0.464) 5.157 14.397 ( -4.226 0.272 1.996) 4.682 14.397 ( 4.226 0.272 1.996) 4.682 14.986 ( -0.861 3.478 1.665) 3.951 14.986 ( 0.861 3.478 1.665) 3.951 15.210 ( -1.785 0.047 3.652) 4.065 15.210 ( 1.785 0.047 3.652) 4.065 15.579 ( -1.250 -1.893 -1.846) 2.925 15.579 ( 1.250 -1.893 -1.846) 2.925 15.897 ( -0.315 -6.457 -0.716) 6.505 15.897 ( 0.315 -6.457 -0.716) 6.505 18.813 ( -2.203 6.198 0.802) 6.626 18.813 ( 2.203 6.198 0.802) 6.626 19.314 ( -5.197 -0.789 -1.830) 5.566 19.314 ( 5.197 -0.789 -1.830) 5.566 26.811 ( -3.738 2.034 0.714) 4.315 26.811 ( 3.738 2.034 0.714) 4.315 27.304 ( -5.876 -3.170 -2.472) 7.120 27.304 ( 5.876 -3.170 -2.472) 7.120 28.394 ( -13.096 2.220 3.244) 13.673 28.394 ( 13.096 2.220 3.244) 13.673 28.768 ( -11.615 -2.044 -7.101) 13.766 28.768 ( 11.615 -2.044 -7.101) 13.766 30.874 ( -3.757 0.148 11.692) 12.281 30.874 ( 3.757 0.148 11.692) 12.281 32.344 ( -4.180 -23.847 10.380) 26.342 32.344 ( 4.180 -23.847 10.380) 26.342 32.950 ( -2.194 6.793 -4.374) 8.372 32.950 ( 2.194 6.793 -4.374) 8.372 33.345 ( -0.708 11.963 -0.984) 12.025 33.345 ( 0.708 11.963 -0.984) 12.025 ======================= Grid point 161 (57/96) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 0.000 9.741 9.082) 13.318 2.087 ( 0.000 7.282 22.890) 24.021 2.206 ( 0.000 7.733 -0.685) 7.763 2.269 ( 0.000 9.914 4.513) 10.893 3.104 ( 0.000 7.800 0.157) 7.802 3.167 ( 0.000 1.866 -3.410) 3.887 3.456 ( 0.000 12.574 7.296) 14.537 3.586 ( 0.000 6.856 17.321) 18.629 3.687 ( 0.000 9.628 16.863) 19.418 4.014 ( 0.000 0.650 7.294) 7.323 4.218 ( 0.000 5.461 -3.801) 6.654 4.309 ( 0.000 -3.100 6.493) 7.195 4.427 ( 0.000 3.898 1.138) 4.061 4.598 ( 0.000 -5.225 9.194) 10.575 4.854 ( 0.000 -5.947 2.994) 6.658 5.012 ( 0.000 -2.461 3.990) 4.688 5.036 ( 0.000 -10.449 -2.469) 10.736 5.148 ( 0.000 -9.028 7.823) 11.946 5.426 ( 0.000 -17.057 4.727) 17.700 5.956 ( 0.000 -16.368 -9.563) 18.957 6.295 ( 0.000 1.201 -0.900) 1.500 6.526 ( 0.000 -3.055 4.301) 5.275 6.889 ( 0.000 6.223 -1.734) 6.460 6.926 ( 0.000 3.176 -5.588) 6.428 7.001 ( 0.000 -0.847 -3.689) 3.785 7.099 ( 0.000 -0.782 -4.628) 4.693 7.336 ( 0.000 3.902 0.151) 3.905 7.561 ( 0.000 2.429 -6.672) 7.101 7.743 ( 0.000 1.411 -8.951) 9.062 7.979 ( 0.000 -7.709 5.896) 9.705 8.690 ( 0.000 -0.354 -20.966) 20.969 9.036 ( 0.000 -8.069 -11.596) 14.127 9.920 ( 0.000 13.101 2.196) 13.284 9.932 ( 0.000 7.160 -10.478) 12.691 10.550 ( 0.000 -1.248 -16.387) 16.435 10.935 ( 0.000 -6.984 -12.389) 14.222 12.483 ( 0.000 8.048 7.717) 11.150 12.767 ( 0.000 -0.145 0.606) 0.623 13.217 ( 0.000 -5.150 7.379) 8.998 13.219 ( 0.000 -5.423 6.605) 8.546 14.125 ( 0.000 2.484 1.319) 2.812 14.154 ( 0.000 1.644 2.106) 2.672 14.428 ( 0.000 2.503 2.563) 3.582 14.570 ( 0.000 0.214 -0.160) 0.267 15.132 ( 0.000 0.587 3.913) 3.957 15.162 ( 0.000 -0.147 2.863) 2.866 15.230 ( 0.000 0.270 1.271) 1.300 15.282 ( 0.000 -3.040 1.977) 3.626 15.553 ( 0.000 -0.520 0.642) 0.826 15.612 ( 0.000 -1.221 -0.463) 1.306 15.701 ( 0.000 -6.285 -1.236) 6.406 15.718 ( 0.000 -2.124 -2.150) 3.022 18.978 ( 0.000 2.084 -3.635) 4.190 19.031 ( 0.000 11.615 -4.275) 12.377 19.089 ( 0.000 0.391 0.378) 0.544 19.446 ( 0.000 -2.636 -4.118) 4.889 26.852 ( 0.000 -0.138 2.326) 2.331 26.914 ( 0.000 -1.749 -0.275) 1.771 27.108 ( 0.000 1.623 -0.073) 1.625 27.318 ( 0.000 -3.512 0.293) 3.524 27.919 ( 0.000 2.259 7.742) 8.065 28.094 ( 0.000 -2.607 4.603) 5.290 28.943 ( 0.000 2.202 -3.978) 4.546 29.037 ( 0.000 -0.740 -8.070) 8.104 30.790 ( 0.000 8.809 14.581) 17.035 30.860 ( 0.000 0.690 8.823) 8.850 31.717 ( 0.000 -23.548 18.622) 30.021 32.055 ( 0.000 -24.346 9.847) 26.262 33.066 ( 0.000 6.851 -1.813) 7.086 33.085 ( 0.000 7.895 -4.930) 9.308 33.572 ( 0.000 6.925 -3.181) 7.620 33.728 ( 0.000 4.402 -9.534) 10.501 ======================= Grid point 162 (58/96) ======================= q-point: ( 0.17 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 0.291 10.566 8.040) 13.280 2.105 ( 0.612 6.910 12.694) 14.466 2.226 ( 2.675 6.104 0.033) 6.664 2.301 ( 4.198 9.728 11.570) 15.688 2.996 ( -10.016 4.186 -1.986) 11.036 3.109 ( -6.153 9.048 0.812) 10.972 3.337 ( -6.830 -0.800 13.145) 14.835 3.578 ( 0.638 4.927 5.636) 7.513 3.832 ( 5.938 11.090 16.671) 20.885 4.026 ( -1.074 -5.206 1.536) 5.533 4.322 ( 8.115 3.073 6.860) 11.061 4.341 ( 6.873 5.172 3.182) 9.171 4.399 ( -1.889 -3.793 4.741) 6.358 4.603 ( 0.808 -1.990 5.520) 5.923 4.792 ( -6.233 -6.084 5.591) 10.350 4.974 ( -0.422 -7.651 1.850) 7.883 5.050 ( 2.517 4.002 -4.818) 6.750 5.113 ( -3.393 -7.568 5.795) 10.118 5.574 ( 12.453 -12.468 4.320) 18.144 6.073 ( 9.655 -14.769 -5.508) 18.485 6.305 ( 0.694 2.277 -1.335) 2.729 6.542 ( 1.396 -2.543 0.804) 3.011 6.741 ( -14.407 7.050 -3.449) 16.406 6.871 ( -4.464 -0.401 -5.375) 6.998 6.924 ( -5.805 4.714 -1.188) 7.572 7.097 ( -2.862 -4.368 0.603) 5.257 7.277 ( -1.533 1.670 -1.039) 2.494 7.536 ( -4.678 -2.208 -6.109) 8.005 7.892 ( 12.780 1.117 -8.709) 15.505 8.098 ( 12.399 -5.103 4.592) 14.172 8.666 ( -2.854 -0.531 -19.081) 19.301 9.026 ( -1.760 -8.032 -10.766) 13.547 9.844 ( -2.743 11.742 -7.360) 14.127 10.016 ( 3.513 9.609 -6.274) 12.002 10.528 ( -1.517 -2.877 -13.785) 14.163 10.900 ( -3.783 -7.419 -11.173) 13.935 12.505 ( 2.301 8.062 7.503) 11.251 12.762 ( -0.791 1.276 1.455) 2.091 13.193 ( -1.114 -6.075 6.752) 9.151 13.234 ( 0.348 -6.498 6.015) 8.862 14.149 ( 2.509 3.132 1.305) 4.220 14.191 ( 3.571 1.677 1.581) 4.250 14.405 ( -2.249 2.407 2.692) 4.254 14.548 ( -2.288 0.095 0.054) 2.291 15.131 ( -0.431 0.875 3.752) 3.877 15.160 ( -0.258 1.032 1.856) 2.139 15.206 ( -4.441 -0.267 3.965) 5.959 15.241 ( -0.994 0.441 0.768) 1.331 15.553 ( -0.771 -2.703 0.286) 2.825 15.600 ( -1.234 -0.831 -1.503) 2.115 15.705 ( 0.731 -6.109 -0.760) 6.199 15.730 ( 0.993 -4.129 -1.318) 4.447 18.967 ( -0.827 3.162 -2.063) 3.865 19.018 ( -1.350 11.472 -4.833) 12.522 19.121 ( 3.187 -0.643 0.144) 3.255 19.425 ( -2.190 -2.620 -3.903) 5.186 26.826 ( -1.305 1.542 1.869) 2.752 26.966 ( 3.365 -1.904 -1.303) 4.080 27.076 ( -2.184 1.509 0.936) 2.815 27.317 ( -0.573 -4.726 -1.334) 4.944 28.005 ( 8.557 2.377 6.964) 11.286 28.196 ( 10.409 -2.727 3.456) 11.302 28.878 ( -6.699 2.618 -3.353) 7.936 29.007 ( -3.442 -1.183 -7.635) 8.459 30.805 ( 1.774 7.398 14.360) 16.251 30.886 ( 2.261 1.651 9.168) 9.586 31.721 ( 0.658 -23.950 18.061) 30.004 32.019 ( -3.704 -24.422 10.196) 26.723 33.075 ( 1.185 8.199 -2.758) 8.732 33.107 ( 1.928 7.865 -4.514) 9.271 33.555 ( -1.725 6.302 -2.914) 7.154 33.681 ( -4.648 4.671 -8.239) 10.550 ======================= Grid point 163 (59/96) ======================= q-point: ( 0.33 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 4.737 8.747 4.341) 10.854 2.090 ( -1.860 5.301 3.082) 6.407 2.298 ( 5.588 8.645 -1.122) 10.355 2.447 ( 10.336 5.206 16.444) 20.108 2.773 ( -13.215 2.459 -2.384) 13.652 2.935 ( -11.681 7.899 7.106) 15.791 3.296 ( 2.101 -4.610 7.391) 8.961 3.526 ( -6.452 -1.357 2.173) 6.942 3.903 ( 2.878 4.305 14.337) 15.244 3.989 ( -1.875 -4.659 8.094) 9.525 4.316 ( -1.715 -10.243 5.619) 11.808 4.358 ( -1.959 -10.158 4.987) 11.485 4.583 ( 4.219 2.317 3.967) 6.237 4.677 ( 1.544 5.043 2.720) 5.934 4.721 ( 9.572 10.600 2.463) 14.494 4.987 ( 0.774 -1.968 -0.820) 2.268 5.068 ( -0.774 -3.221 4.153) 5.313 5.128 ( 3.826 7.621 -4.077) 9.452 5.821 ( 13.872 -7.260 4.139) 16.195 6.183 ( 0.545 -6.588 -3.356) 7.414 6.312 ( -0.536 6.402 -4.259) 7.708 6.450 ( -14.740 2.121 -0.991) 14.925 6.584 ( 1.778 4.254 3.015) 5.508 6.758 ( -2.068 -3.903 -6.143) 7.567 6.879 ( -1.738 1.510 -0.209) 2.312 7.007 ( -5.542 -3.610 7.090) 9.696 7.280 ( 0.806 -3.235 -2.678) 4.276 7.419 ( -6.020 -6.730 -5.702) 10.679 8.144 ( 13.139 1.103 -9.958) 16.523 8.377 ( 14.926 -4.705 3.518) 16.041 8.579 ( -5.243 -2.183 -15.869) 16.855 8.941 ( -7.976 -8.150 -7.671) 13.744 9.844 ( 2.924 12.600 -13.185) 18.470 10.028 ( -2.601 11.800 -12.899) 17.674 10.538 ( 3.448 -6.767 -7.738) 10.842 10.796 ( -7.167 -8.205 -8.359) 13.732 12.566 ( 4.148 7.904 6.869) 11.263 12.727 ( -3.102 4.556 3.651) 6.612 13.186 ( 0.503 -8.441 5.280) 9.969 13.230 ( -0.802 -8.438 4.819) 9.750 14.210 ( 3.624 4.014 1.069) 5.513 14.267 ( 3.611 2.750 0.379) 4.555 14.362 ( -1.412 1.560 3.246) 3.868 14.486 ( -4.192 0.005 0.790) 4.266 15.100 ( -2.763 3.038 3.126) 5.161 15.113 ( -2.842 4.509 1.068) 5.436 15.181 ( 1.310 0.037 3.577) 3.809 15.232 ( -0.676 -0.075 2.390) 2.485 15.532 ( -0.848 -2.335 -0.443) 2.524 15.566 ( -2.179 -1.923 -1.568) 3.302 15.727 ( 1.268 -7.197 -0.438) 7.321 15.745 ( 0.448 -6.409 -0.604) 6.453 18.957 ( -0.133 5.284 -1.114) 5.402 18.989 ( -1.627 9.954 -3.303) 10.613 19.196 ( 4.577 -1.557 -1.159) 4.971 19.367 ( -3.901 -2.505 -3.284) 5.681 26.825 ( 1.313 3.344 0.885) 3.700 26.951 ( -4.084 3.080 -0.683) 5.160 27.113 ( 5.289 -3.807 -0.718) 6.556 27.286 ( -2.789 -5.732 -2.549) 6.865 28.209 ( 12.705 3.190 5.090) 14.054 28.442 ( 14.534 -3.061 0.234) 14.855 28.706 ( -11.277 3.231 -1.568) 11.835 28.902 ( -7.899 -2.233 -6.510) 10.477 30.855 ( 3.213 5.419 13.720) 15.097 30.920 ( 0.874 2.744 10.291) 10.687 31.750 ( 2.615 -24.685 16.220) 29.652 31.927 ( -5.706 -24.654 11.368) 27.742 33.111 ( 2.452 10.212 -3.890) 11.200 33.144 ( 1.611 9.388 -4.905) 10.714 33.518 ( -1.839 4.732 -2.349) 5.594 33.579 ( -5.441 4.577 -5.327) 8.885 ======================= Grid point 164 (60/96) ======================= q-point: (-0.50 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -3.896 5.864 1.923) 7.299 2.039 ( 3.896 5.864 1.923) 7.299 2.467 ( -11.628 4.816 -1.514) 12.676 2.467 ( 11.628 4.816 -1.514) 12.676 2.712 ( -10.954 6.378 11.680) 17.237 2.712 ( 10.954 6.378 11.680) 17.237 3.387 ( -7.025 -6.082 3.872) 10.066 3.387 ( 7.025 -6.082 3.872) 10.066 3.952 ( -2.333 -0.431 12.123) 12.353 3.952 ( 2.333 -0.431 12.123) 12.353 4.316 ( -1.733 -12.534 5.854) 13.942 4.316 ( 1.733 -12.534 5.854) 13.942 4.629 ( -2.542 3.790 0.369) 4.579 4.629 ( 2.542 3.790 0.369) 4.579 4.954 ( -6.717 10.970 3.254) 13.268 4.954 ( 6.717 10.970 3.254) 13.268 5.104 ( -4.944 0.374 -3.255) 5.931 5.104 ( 4.944 0.374 -3.255) 5.931 6.096 ( -14.541 -7.734 2.687) 16.688 6.096 ( 14.541 -7.734 2.687) 16.688 6.262 ( -3.617 11.719 -4.745) 13.150 6.262 ( 3.617 11.719 -4.745) 13.150 6.687 ( -7.480 -1.883 1.627) 7.883 6.687 ( 7.480 -1.883 1.627) 7.883 6.905 ( -5.327 -1.337 2.803) 6.167 6.905 ( 5.327 -1.337 2.803) 6.167 7.326 ( -4.184 -7.709 -4.436) 9.829 7.326 ( 4.184 -7.709 -4.436) 9.829 8.367 ( -10.424 0.923 -9.714) 14.279 8.367 ( 10.424 0.923 -9.714) 14.279 8.725 ( -14.502 -8.645 -4.098) 17.373 8.725 ( 14.502 -8.645 -4.098) 17.373 9.937 ( -6.063 12.825 -15.947) 21.343 9.937 ( 6.063 12.825 -15.947) 21.343 10.650 ( -7.744 -8.425 -6.079) 12.958 10.650 ( 7.744 -8.425 -6.079) 12.958 12.651 ( -4.687 6.995 5.681) 10.157 12.651 ( 4.687 6.995 5.681) 10.157 13.207 ( -1.434 -9.516 4.364) 10.567 13.207 ( 1.434 -9.516 4.364) 10.567 14.270 ( -2.531 4.430 0.762) 5.158 14.270 ( 2.531 4.430 0.762) 5.158 14.401 ( -4.527 0.010 2.015) 4.956 14.401 ( 4.527 0.010 2.015) 4.956 15.078 ( -0.693 4.872 1.701) 5.207 15.078 ( 0.693 4.872 1.701) 5.207 15.210 ( -1.577 -0.108 3.173) 3.546 15.210 ( 1.577 -0.108 3.173) 3.546 15.533 ( -1.016 -2.077 -0.987) 2.514 15.533 ( 1.016 -2.077 -0.987) 2.514 15.744 ( -0.522 -7.584 -0.421) 7.613 15.744 ( 0.522 -7.584 -0.421) 7.613 18.964 ( -0.882 7.701 -1.673) 7.930 18.964 ( 0.882 7.701 -1.673) 7.930 19.285 ( -4.757 -2.168 -2.350) 5.732 19.285 ( 4.757 -2.168 -2.350) 5.732 26.873 ( -3.678 3.940 0.021) 5.390 26.873 ( 3.678 3.940 0.021) 5.390 27.213 ( -4.904 -5.388 -2.209) 7.613 27.213 ( 4.904 -5.388 -2.209) 7.613 28.459 ( -13.404 3.879 2.570) 14.189 28.459 ( 13.404 3.879 2.570) 14.189 28.711 ( -12.284 -3.263 -4.532) 13.494 28.711 ( 12.284 -3.263 -4.532) 13.494 30.909 ( -2.077 3.852 12.205) 12.965 30.909 ( 2.077 3.852 12.205) 12.965 31.823 ( -5.089 -24.901 13.546) 28.800 31.823 ( 5.089 -24.901 13.546) 28.800 33.150 ( -1.170 11.122 -4.997) 12.249 33.150 ( 1.170 11.122 -4.997) 12.249 33.509 ( -1.516 3.788 -2.777) 4.935 33.509 ( 1.516 3.788 -2.777) 4.935 ======================= Grid point 168 (61/96) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 0.000 7.464 1.090) 7.543 2.174 ( 0.000 0.638 7.169) 7.198 2.404 ( 0.000 9.401 6.708) 11.549 2.453 ( 0.000 5.913 7.117) 9.253 3.027 ( 0.000 -5.995 3.807) 7.102 3.061 ( 0.000 -7.893 -1.802) 8.096 3.742 ( 0.000 10.026 5.243) 11.314 3.900 ( 0.000 1.344 9.139) 9.238 3.943 ( 0.000 24.088 7.450) 25.214 3.991 ( 0.000 4.001 5.639) 6.915 4.205 ( 0.000 -7.294 7.234) 10.272 4.356 ( 0.000 1.481 8.152) 8.285 4.404 ( 0.000 -5.312 1.523) 5.526 4.506 ( 0.000 -4.460 10.676) 11.570 4.772 ( 0.000 -3.031 6.259) 6.955 4.775 ( 0.000 -0.833 6.680) 6.732 4.991 ( 0.000 -4.514 5.167) 6.861 5.086 ( 0.000 -13.449 7.130) 15.222 5.218 ( 0.000 13.814 -6.190) 15.137 5.574 ( 0.000 -19.340 -7.788) 20.849 6.334 ( 0.000 2.685 0.709) 2.777 6.417 ( 0.000 -5.370 1.609) 5.606 6.990 ( 0.000 2.874 -3.855) 4.808 6.998 ( 0.000 2.414 -2.123) 3.215 7.018 ( 0.000 1.842 -2.495) 3.101 7.068 ( 0.000 -2.180 -1.487) 2.639 7.432 ( 0.000 5.557 -0.552) 5.584 7.546 ( 0.000 -4.210 -4.537) 6.190 7.788 ( 0.000 2.759 -8.754) 9.179 7.853 ( 0.000 -4.063 -2.751) 4.907 8.733 ( 0.000 4.612 -18.451) 19.018 8.868 ( 0.000 -7.893 -15.423) 17.326 10.060 ( 0.000 4.755 -4.563) 6.590 10.095 ( 0.000 2.708 1.943) 3.333 10.592 ( 0.000 6.081 -19.061) 20.007 10.764 ( 0.000 -9.155 -15.490) 17.993 12.645 ( 0.000 6.976 5.225) 8.715 12.746 ( 0.000 -2.584 2.388) 3.518 13.130 ( 0.000 -2.489 8.126) 8.498 13.133 ( 0.000 -2.566 7.568) 7.991 14.164 ( 0.000 1.210 2.941) 3.181 14.174 ( 0.000 0.224 3.318) 3.326 14.490 ( 0.000 3.247 1.323) 3.507 14.550 ( 0.000 -2.188 0.176) 2.195 15.130 ( 0.000 -0.537 4.046) 4.081 15.131 ( 0.000 -1.136 4.687) 4.823 15.252 ( 0.000 1.533 1.001) 1.830 15.271 ( 0.000 -0.001 0.614) 0.614 15.549 ( 0.000 0.371 0.786) 0.869 15.584 ( 0.000 -3.086 1.204) 3.313 15.626 ( 0.000 0.877 -2.769) 2.904 15.668 ( 0.000 -2.531 -2.584) 3.617 19.025 ( 0.000 2.305 -2.076) 3.102 19.066 ( 0.000 -1.511 0.366) 1.555 19.244 ( 0.000 7.944 -7.596) 10.991 19.372 ( 0.000 -4.663 -5.891) 7.513 26.856 ( 0.000 0.614 0.789) 1.000 26.879 ( 0.000 -1.533 -0.016) 1.533 27.161 ( 0.000 3.346 0.749) 3.429 27.239 ( 0.000 -4.013 0.613) 4.060 27.973 ( 0.000 2.895 6.687) 7.287 28.035 ( 0.000 -3.031 5.518) 6.296 28.987 ( 0.000 1.899 -4.649) 5.022 29.018 ( 0.000 -1.159 -6.274) 6.381 30.924 ( 0.000 5.453 14.317) 15.320 30.979 ( 0.000 5.599 16.407) 17.336 31.371 ( 0.000 -5.563 14.389) 15.427 31.582 ( 0.000 -20.080 10.738) 22.771 33.186 ( 0.000 3.960 -2.449) 4.656 33.203 ( 0.000 2.675 -3.776) 4.627 33.686 ( 0.000 4.409 -5.803) 7.288 33.752 ( 0.000 -1.545 -8.466) 8.605 ======================= Grid point 169 (62/96) ======================= q-point: ( 0.17 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 0.656 8.301 2.810) 8.788 2.223 ( 4.463 -1.948 3.671) 6.098 2.339 ( -4.495 10.893 5.683) 13.083 2.479 ( 1.024 2.194 7.782) 8.150 2.940 ( -5.972 0.100 -0.346) 5.983 3.093 ( 1.055 -10.561 4.067) 11.366 3.548 ( -20.655 15.443 13.887) 29.291 3.712 ( -11.763 4.699 4.026) 13.292 3.898 ( 1.129 -2.173 5.910) 6.398 4.053 ( -1.282 7.624 10.899) 13.362 4.144 ( -7.903 -14.185 4.928) 16.969 4.240 ( -2.215 -6.337 7.013) 9.708 4.564 ( 11.423 8.732 4.356) 15.024 4.673 ( 9.954 2.338 1.311) 10.308 4.800 ( 2.357 2.031 3.345) 4.569 4.826 ( 5.928 -0.223 6.871) 9.078 4.977 ( 0.053 -0.379 1.072) 1.138 5.207 ( 9.488 -9.595 1.803) 13.614 5.354 ( 14.347 8.642 -0.033) 16.749 5.710 ( 12.534 -19.173 -4.145) 23.279 6.343 ( 0.922 2.238 -0.078) 2.422 6.423 ( 0.796 -5.709 0.208) 5.767 6.861 ( -12.237 4.526 -1.417) 13.124 6.915 ( -8.514 0.564 -4.805) 9.792 7.018 ( -0.447 2.429 -0.970) 2.653 7.038 ( -2.543 -0.442 -0.608) 2.652 7.324 ( -7.193 4.014 -0.759) 8.272 7.443 ( -8.845 -6.254 -3.692) 11.445 7.931 ( 12.133 2.878 -6.991) 14.296 8.006 ( 12.629 -4.070 -3.513) 13.726 8.714 ( -2.406 5.136 -16.001) 16.977 8.857 ( -1.787 -8.030 -13.432) 15.751 10.047 ( 0.129 7.755 -5.449) 9.479 10.139 ( 3.778 0.286 -1.127) 3.953 10.542 ( -5.010 5.680 -18.029) 19.555 10.720 ( -4.679 -9.653 -14.439) 17.988 12.670 ( 2.617 7.225 5.326) 9.349 12.768 ( 2.223 -1.718 2.703) 3.898 13.096 ( -3.090 -2.338 7.747) 8.662 13.119 ( -1.900 -4.090 7.191) 8.488 14.197 ( 3.347 1.512 2.755) 4.591 14.211 ( 3.646 0.161 3.030) 4.743 14.466 ( -2.327 3.273 1.443) 4.267 14.526 ( -2.371 -2.235 0.421) 3.285 15.135 ( 0.757 0.076 4.391) 4.457 15.147 ( 1.262 -1.014 3.891) 4.214 15.235 ( -1.872 1.787 1.399) 2.942 15.254 ( -1.406 0.192 0.819) 1.639 15.535 ( -1.075 0.935 0.551) 1.527 15.590 ( 0.355 -3.951 0.758) 4.038 15.604 ( -2.184 0.993 -2.554) 3.504 15.655 ( -1.276 -3.287 -2.263) 4.189 19.033 ( 0.953 3.114 -1.785) 3.714 19.089 ( 2.271 -2.109 -0.318) 3.116 19.223 ( -2.154 7.838 -6.735) 10.556 19.351 ( -2.205 -4.708 -5.397) 7.494 26.865 ( 1.329 2.254 0.432) 2.652 26.917 ( 3.486 -2.604 -0.643) 4.399 27.130 ( -3.035 3.544 0.471) 4.690 27.217 ( -2.186 -4.722 -0.294) 5.211 28.064 ( 9.174 3.197 5.979) 11.407 28.132 ( 9.871 -3.321 4.700) 11.426 28.933 ( -5.684 2.507 -4.016) 7.398 28.977 ( -4.490 -1.747 -5.661) 7.433 30.943 ( 2.002 6.447 14.560) 16.048 31.007 ( 2.699 5.881 15.116) 16.443 31.353 ( -1.642 -7.482 14.665) 16.545 31.548 ( -3.519 -19.854 11.057) 22.996 33.213 ( 2.869 4.450 -2.602) 5.900 33.231 ( 2.970 3.018 -3.830) 5.709 33.653 ( -3.425 3.675 -5.367) 7.352 33.709 ( -4.372 -1.317 -7.749) 8.994 ======================= Grid point 170 (63/96) ======================= q-point: ( 0.33 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 3.524 9.401 2.664) 10.387 2.261 ( -2.438 7.773 3.888) 9.026 2.326 ( 4.937 -1.858 -1.677) 5.535 2.483 ( -0.817 -5.686 6.152) 8.417 2.851 ( -2.278 9.920 3.569) 10.786 3.111 ( 1.729 -12.394 7.252) 14.463 3.179 ( -17.663 12.740 15.193) 26.554 3.419 ( -16.060 -9.240 10.598) 21.345 3.947 ( 2.540 1.807 6.391) 7.110 4.019 ( -1.986 7.597 9.973) 12.693 4.070 ( 0.067 -9.727 4.280) 10.628 4.190 ( -3.677 -7.882 6.472) 10.841 4.682 ( 3.947 6.910 -1.220) 8.051 4.787 ( -0.177 6.046 -0.985) 6.128 4.847 ( 3.642 -7.581 -3.456) 9.092 4.935 ( 0.244 -7.234 -0.616) 7.264 5.102 ( 16.764 21.061 3.353) 27.126 5.430 ( 11.940 5.209 2.226) 13.215 5.612 ( 10.341 -2.956 -0.018) 10.755 5.915 ( 5.515 -17.105 -1.476) 18.033 6.368 ( 1.999 2.543 -1.189) 3.446 6.454 ( 2.923 -5.053 -2.200) 6.238 6.643 ( -8.421 5.084 -1.113) 9.899 6.723 ( -9.769 -1.859 -2.819) 10.336 6.984 ( -2.188 5.880 -1.820) 6.532 7.009 ( -1.129 2.647 3.037) 4.183 7.209 ( -5.531 -2.721 -0.259) 6.169 7.263 ( -9.206 -7.325 -2.601) 12.048 8.179 ( 13.679 2.774 -6.767) 15.511 8.266 ( 15.066 -5.409 -2.958) 16.279 8.622 ( -7.832 5.542 -10.930) 14.543 8.770 ( -8.148 -8.140 -8.712) 14.441 10.090 ( 4.612 10.723 -10.099) 15.435 10.224 ( 4.456 2.425 -6.304) 8.092 10.431 ( -5.517 0.844 -14.875) 15.888 10.599 ( -7.886 -10.468 -11.955) 17.739 12.737 ( 4.410 8.021 5.649) 10.757 12.817 ( 2.396 2.436 3.853) 5.150 13.028 ( -3.515 -5.129 6.730) 9.163 13.066 ( -3.483 -6.777 6.041) 9.723 14.273 ( 4.379 2.083 2.312) 5.372 14.295 ( 4.955 0.012 2.396) 5.504 14.414 ( -3.054 3.014 1.747) 4.633 14.468 ( -3.787 -1.895 1.070) 4.368 15.149 ( 0.645 1.678 3.556) 3.985 15.173 ( 1.477 -0.688 3.289) 3.671 15.194 ( -2.035 2.857 1.835) 3.958 15.228 ( -1.351 -0.577 1.819) 2.338 15.518 ( -0.516 1.537 -0.125) 1.626 15.557 ( -2.468 1.520 -1.694) 3.357 15.595 ( 0.213 -5.397 -0.229) 5.406 15.627 ( -1.529 -4.843 -1.525) 5.302 19.062 ( 2.144 4.727 -1.938) 5.541 19.145 ( 3.382 -2.659 -1.199) 4.466 19.172 ( -2.926 6.810 -5.076) 8.984 19.294 ( -3.681 -4.645 -4.205) 7.267 26.907 ( 2.979 4.417 -0.293) 5.336 26.991 ( 3.611 -2.241 -1.823) 4.625 27.065 ( -3.131 2.284 0.033) 3.876 27.163 ( -3.423 -5.838 -1.501) 6.931 28.285 ( 13.720 4.018 3.896) 14.818 28.369 ( 14.404 -3.942 2.052) 15.074 28.779 ( -10.593 3.645 -2.066) 11.392 28.849 ( -9.280 -2.979 -4.020) 10.543 30.996 ( 3.447 8.433 14.206) 16.876 31.059 ( 2.027 9.039 13.062) 16.014 31.327 ( -0.445 -13.879 15.145) 20.547 31.461 ( -5.492 -19.445 12.103) 23.553 33.289 ( 5.009 5.969 -3.108) 8.389 33.307 ( 4.808 4.744 -4.266) 7.988 33.568 ( -5.233 1.215 -4.266) 6.860 33.603 ( -6.532 -1.452 -6.046) 9.019 ======================= Grid point 171 (64/96) ======================= q-point: (-0.50 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -3.215 10.520 1.866) 11.158 2.213 ( 3.215 10.520 1.866) 11.158 2.424 ( -5.192 -8.176 -1.444) 9.792 2.424 ( 5.192 -8.176 -1.444) 9.792 2.916 ( -9.689 12.838 13.802) 21.194 2.916 ( 9.689 12.838 13.802) 21.194 3.192 ( -7.797 -12.583 10.057) 17.896 3.192 ( 7.797 -12.583 10.057) 17.896 3.984 ( -1.731 4.446 7.825) 9.165 3.984 ( 1.731 4.446 7.825) 9.165 4.115 ( -3.836 -7.674 5.769) 10.338 4.115 ( 3.836 -7.674 5.769) 10.338 4.747 ( -3.103 7.186 -2.785) 8.308 4.747 ( 3.103 7.186 -2.785) 8.308 4.907 ( -2.577 -7.542 -3.180) 8.581 4.907 ( 2.577 -7.542 -3.180) 8.581 5.417 ( -13.307 20.957 0.721) 24.835 5.417 ( 13.307 20.957 0.721) 24.835 5.830 ( -12.652 -17.592 0.817) 21.684 5.830 ( 12.652 -17.592 0.817) 21.684 6.455 ( -6.118 7.664 -2.749) 10.184 6.455 ( 6.118 7.664 -2.749) 10.184 6.598 ( -3.594 -6.240 -2.372) 7.581 6.598 ( 3.594 -6.240 -2.372) 7.581 6.979 ( -1.842 7.438 2.651) 8.109 6.979 ( 1.842 7.438 2.651) 8.109 7.154 ( -1.577 -8.771 -1.575) 9.050 7.154 ( 1.577 -8.771 -1.575) 9.050 8.424 ( -12.028 4.706 -6.873) 14.630 8.424 ( 12.028 4.706 -6.873) 14.630 8.554 ( -14.084 -7.592 -5.113) 16.797 8.554 ( 14.084 -7.592 -5.113) 16.797 10.203 ( -6.314 12.643 -13.043) 19.231 10.203 ( 6.314 12.643 -13.043) 19.231 10.449 ( -7.100 -10.987 -9.625) 16.240 10.449 ( 7.100 -10.987 -9.625) 16.240 12.816 ( -3.052 8.787 5.699) 10.909 12.816 ( 3.052 8.787 5.699) 10.909 13.007 ( -1.916 -9.647 5.260) 11.154 13.007 ( 1.916 -9.647 5.260) 11.154 14.347 ( -3.136 2.961 1.726) 4.646 14.347 ( 3.136 2.961 1.726) 4.646 14.390 ( -4.118 -1.221 2.036) 4.753 14.390 ( 4.118 -1.221 2.036) 4.753 15.164 ( -1.132 3.065 2.352) 4.026 15.164 ( 1.132 3.065 2.352) 4.026 15.202 ( -1.508 -0.856 2.804) 3.297 15.202 ( 1.508 -0.856 2.804) 3.297 15.523 ( -1.063 1.671 -0.845) 2.153 15.523 ( 1.063 1.671 -0.845) 2.153 15.604 ( -0.878 -5.767 -0.890) 5.901 15.604 ( 0.878 -5.767 -0.890) 5.901 19.111 ( -3.014 6.318 -2.890) 7.573 19.111 ( 3.014 6.318 -2.890) 7.573 19.220 ( -4.128 -4.182 -2.891) 6.548 19.220 ( 4.128 -4.182 -2.891) 6.548 26.971 ( -3.700 5.449 -0.864) 6.643 26.971 ( 3.700 5.449 -0.864) 6.643 27.092 ( -4.059 -6.101 -1.666) 7.515 27.092 ( 4.059 -6.101 -1.666) 7.515 28.547 ( -13.488 4.458 1.034) 14.243 28.547 ( 13.488 4.458 1.034) 14.243 28.636 ( -13.058 -4.043 -1.490) 13.751 28.636 ( 13.058 -4.043 -1.490) 13.751 31.056 ( -2.345 10.814 13.095) 17.144 31.056 ( 2.345 10.814 13.095) 17.144 31.363 ( -4.283 -18.953 13.948) 23.919 31.363 ( 4.283 -18.953 13.948) 23.919 33.367 ( -1.031 9.199 -4.519) 10.300 33.367 ( 1.031 9.199 -4.519) 10.300 33.506 ( -1.404 -3.800 -3.866) 5.600 33.506 ( 1.404 -3.800 -3.866) 5.600 ======================= Grid point 196 (65/96) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 0.000 0.000 -1.073) 1.073 1.934 ( 0.000 0.000 -3.430) 3.430 2.379 ( 0.000 0.000 10.646) 10.646 2.399 ( 0.000 0.000 29.082) 29.082 2.518 ( 0.000 0.000 0.487) 0.487 3.265 ( 0.000 0.000 1.154) 1.154 3.350 ( 0.000 0.000 2.260) 2.260 3.429 ( 0.000 0.000 -1.325) 1.325 3.924 ( 0.000 0.000 -0.770) 0.770 3.983 ( 0.000 0.000 13.263) 13.263 4.235 ( 0.000 0.000 9.810) 9.810 4.478 ( 0.000 0.000 12.061) 12.061 4.493 ( 0.000 0.000 -1.320) 1.320 4.789 ( 0.000 0.000 1.593) 1.593 4.925 ( 0.000 0.000 -0.640) 0.640 4.941 ( 0.000 0.000 -4.187) 4.187 5.732 ( 0.000 0.000 16.636) 16.636 5.737 ( 0.000 0.000 8.380) 8.380 5.932 ( 0.000 0.000 -7.105) 7.105 6.036 ( 0.000 0.000 -8.737) 8.737 6.150 ( 0.000 0.000 -10.926) 10.926 6.272 ( 0.000 0.000 2.499) 2.499 6.723 ( 0.000 0.000 -7.654) 7.654 6.762 ( 0.000 0.000 -0.872) 0.872 7.036 ( 0.000 0.000 1.499) 1.499 7.106 ( 0.000 0.000 -2.194) 2.194 7.141 ( 0.000 0.000 -3.904) 3.904 7.258 ( 0.000 0.000 -7.312) 7.312 7.716 ( 0.000 0.000 4.127) 4.127 8.244 ( 0.000 0.000 -18.621) 18.621 8.621 ( 0.000 0.000 13.702) 13.702 9.143 ( 0.000 0.000 -8.988) 8.988 9.380 ( 0.000 0.000 -9.660) 9.660 9.397 ( 0.000 0.000 -5.440) 5.440 10.530 ( 0.000 0.000 1.632) 1.632 10.873 ( 0.000 0.000 -10.845) 10.845 12.462 ( 0.000 0.000 7.823) 7.823 12.709 ( 0.000 0.000 -4.195) 4.195 13.483 ( 0.000 0.000 4.537) 4.537 13.487 ( 0.000 0.000 3.612) 3.612 14.023 ( 0.000 0.000 0.262) 0.262 14.065 ( 0.000 0.000 -1.415) 1.415 14.457 ( 0.000 0.000 3.415) 3.415 14.546 ( 0.000 0.000 -0.748) 0.748 15.150 ( 0.000 0.000 2.491) 2.491 15.170 ( 0.000 0.000 2.300) 2.300 15.309 ( 0.000 0.000 4.400) 4.400 15.426 ( 0.000 0.000 -0.476) 0.476 15.559 ( 0.000 0.000 -0.657) 0.657 15.651 ( 0.000 0.000 -4.977) 4.977 15.757 ( 0.000 0.000 0.548) 0.548 15.833 ( 0.000 0.000 -2.599) 2.599 18.691 ( 0.000 0.000 3.947) 3.947 18.847 ( 0.000 0.000 -3.710) 3.710 19.190 ( 0.000 0.000 5.519) 5.519 19.417 ( 0.000 0.000 -4.904) 4.904 26.941 ( 0.000 0.000 2.132) 2.132 26.952 ( 0.000 0.000 -0.152) 0.152 27.091 ( 0.000 0.000 3.357) 3.357 27.346 ( 0.000 0.000 -4.891) 4.891 28.041 ( 0.000 0.000 7.303) 7.303 28.194 ( 0.000 0.000 -0.054) 0.054 28.811 ( 0.000 0.000 -2.752) 2.752 28.873 ( 0.000 0.000 -6.996) 6.996 30.877 ( 0.000 0.000 9.470) 9.470 30.974 ( 0.000 0.000 3.337) 3.337 32.623 ( 0.000 0.000 4.179) 4.179 32.772 ( 0.000 0.000 -2.482) 2.482 32.990 ( 0.000 0.000 2.070) 2.070 33.042 ( 0.000 0.000 7.340) 7.340 33.112 ( 0.000 0.000 -4.015) 4.015 33.286 ( 0.000 0.000 -4.297) 4.297 ======================= Grid point 197 (66/96) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -1.704 0.000 -1.896) 2.550 1.911 ( -2.311 0.000 -4.284) 4.868 2.210 ( -13.977 0.000 25.112) 28.739 2.415 ( 4.564 0.000 10.895) 11.812 2.605 ( 6.671 0.000 -0.306) 6.678 3.112 ( -19.628 0.000 -12.881) 23.477 3.372 ( 2.540 0.000 2.784) 3.768 3.456 ( 2.581 0.000 -1.231) 2.860 3.945 ( 13.090 0.000 21.114) 24.843 4.140 ( 4.710 0.000 4.995) 6.866 4.342 ( 9.437 0.000 10.034) 13.775 4.509 ( 3.376 0.000 11.972) 12.439 4.531 ( 4.624 0.000 -1.734) 4.938 4.807 ( 1.933 0.000 1.510) 2.452 4.897 ( -2.094 0.000 -1.061) 2.348 4.961 ( 1.237 0.000 -2.600) 2.880 5.555 ( -9.295 0.000 7.837) 12.158 5.725 ( -13.689 0.000 5.646) 14.807 5.811 ( -11.147 0.000 -5.973) 12.647 5.938 ( -9.816 0.000 -8.867) 13.228 5.998 ( 0.507 0.000 1.477) 1.561 6.488 ( 6.822 0.000 -8.884) 11.202 6.638 ( 5.006 0.000 9.179) 10.456 6.901 ( -4.057 0.000 1.313) 4.264 6.980 ( -6.182 0.000 -3.813) 7.264 7.122 ( 8.176 0.000 1.101) 8.249 7.137 ( 3.845 0.000 -9.191) 9.963 7.330 ( 6.417 0.000 -6.844) 9.382 7.807 ( 6.278 0.000 2.331) 6.697 8.266 ( 1.424 0.000 -17.199) 17.258 8.661 ( 4.998 0.000 12.301) 13.278 9.134 ( -1.097 0.000 -8.364) 8.436 9.262 ( -7.183 0.000 -6.790) 9.884 9.418 ( -2.339 0.000 -12.146) 12.369 10.577 ( 4.881 0.000 2.460) 5.466 10.882 ( 0.561 0.000 -9.151) 9.169 12.473 ( 1.260 0.000 7.157) 7.267 12.691 ( -1.930 0.000 -3.371) 3.884 13.480 ( 0.373 0.000 4.528) 4.543 13.505 ( 1.269 0.000 2.884) 3.150 14.031 ( 0.997 0.000 0.493) 1.112 14.085 ( 1.755 0.000 -1.868) 2.563 14.441 ( -1.512 0.000 3.412) 3.732 14.528 ( -1.947 0.000 -0.661) 2.056 15.108 ( -3.828 0.000 2.455) 4.547 15.162 ( -2.563 0.000 0.822) 2.692 15.289 ( -3.920 0.000 3.589) 5.315 15.330 ( -2.416 0.000 3.568) 4.309 15.581 ( -1.361 0.000 -2.360) 2.724 15.624 ( -1.106 0.000 -2.830) 3.038 15.821 ( 4.825 0.000 -1.241) 4.982 15.863 ( 2.906 0.000 -2.281) 3.694 18.705 ( 1.451 0.000 3.772) 4.042 18.844 ( -0.485 0.000 -2.758) 2.801 19.199 ( 1.040 0.000 4.364) 4.486 19.399 ( -1.880 0.000 -4.567) 4.938 26.868 ( -4.499 0.000 3.236) 5.542 26.958 ( -2.475 0.000 -1.752) 3.032 27.113 ( 3.039 0.000 3.505) 4.640 27.345 ( -0.206 0.000 -5.587) 5.591 28.111 ( 6.619 0.000 6.746) 9.451 28.274 ( 8.103 0.000 -0.807) 8.143 28.755 ( -5.612 0.000 -1.726) 5.872 28.855 ( -2.179 0.000 -7.087) 7.414 30.919 ( 4.119 0.000 9.382) 10.246 31.007 ( 3.131 0.000 3.818) 4.937 32.631 ( 0.839 0.000 3.906) 3.995 32.758 ( -1.384 0.000 -1.592) 2.109 33.001 ( 1.151 0.000 1.225) 1.681 33.024 ( -1.706 0.000 6.670) 6.884 33.105 ( -0.700 0.000 -3.772) 3.837 33.233 ( -5.362 0.000 -3.147) 6.218 ======================= Grid point 198 (67/96) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -0.472 0.000 -3.603) 3.634 1.863 ( -2.515 0.000 -5.119) 5.704 2.060 ( 0.320 0.000 12.286) 12.290 2.534 ( 7.254 0.000 9.163) 11.687 2.660 ( -25.549 0.000 -13.418) 28.858 2.689 ( 1.318 0.000 0.625) 1.458 3.445 ( 4.675 0.000 2.455) 5.281 3.506 ( 2.110 0.000 -0.518) 2.172 4.174 ( 6.377 0.000 17.100) 18.250 4.232 ( 6.033 0.000 11.049) 12.589 4.473 ( 6.410 0.000 3.646) 7.374 4.608 ( 7.171 0.000 10.551) 12.757 4.647 ( 4.662 0.000 -0.163) 4.665 4.843 ( -2.402 0.000 -1.242) 2.704 4.862 ( 2.347 0.000 3.635) 4.327 4.975 ( -0.263 0.000 -0.066) 0.272 5.402 ( -7.500 0.000 5.600) 9.360 5.451 ( -10.420 0.000 1.999) 10.610 5.599 ( -9.195 0.000 -6.279) 11.135 5.719 ( -12.172 0.000 -8.496) 14.844 6.099 ( 8.812 0.000 8.559) 12.285 6.494 ( -2.733 0.000 -2.961) 4.029 6.686 ( -9.673 0.000 -0.541) 9.688 6.851 ( -8.456 0.000 -4.268) 9.472 6.890 ( 14.748 0.000 10.401) 18.047 7.246 ( 1.685 0.000 -2.515) 3.027 7.294 ( 9.127 0.000 0.350) 9.134 7.435 ( 3.409 0.000 -4.523) 5.664 7.913 ( 6.960 0.000 -4.184) 8.120 8.246 ( -4.627 0.000 -16.003) 16.659 8.813 ( 10.247 0.000 7.382) 12.630 9.093 ( -3.523 0.000 -5.112) 6.208 9.165 ( -2.253 0.000 -10.346) 10.588 9.319 ( -7.233 0.000 -15.703) 17.289 10.694 ( 6.951 0.000 2.205) 7.293 10.876 ( -1.698 0.000 -5.142) 5.416 12.510 ( 2.648 0.000 5.218) 5.851 12.639 ( -3.470 0.000 -0.960) 3.600 13.498 ( 1.421 0.000 3.645) 3.912 13.525 ( 0.623 0.000 2.069) 2.161 14.062 ( 2.241 0.000 0.379) 2.273 14.113 ( 0.817 0.000 -2.000) 2.160 14.415 ( -0.733 0.000 2.892) 2.984 14.479 ( -3.025 0.000 -0.182) 3.030 15.028 ( -3.953 0.000 2.001) 4.430 15.055 ( -6.159 0.000 1.104) 6.257 15.268 ( 1.322 0.000 4.627) 4.812 15.319 ( -0.447 0.000 3.729) 3.756 15.547 ( -1.156 0.000 -2.079) 2.379 15.592 ( -2.395 0.000 -2.494) 3.458 15.897 ( 3.070 0.000 -1.652) 3.486 15.918 ( 2.217 0.000 -2.268) 3.171 18.742 ( 2.374 0.000 3.147) 3.942 18.825 ( -1.520 0.000 -0.444) 1.584 19.232 ( 2.443 0.000 1.503) 2.868 19.351 ( -3.171 0.000 -3.477) 4.706 26.805 ( -1.714 0.000 2.678) 3.179 26.882 ( -4.673 0.000 -0.616) 4.714 27.194 ( 5.014 0.000 0.587) 5.048 27.331 ( -1.569 0.000 -4.987) 5.228 28.258 ( 8.755 0.000 5.405) 10.289 28.458 ( 9.933 0.000 -4.201) 10.784 28.621 ( -7.802 0.000 1.695) 7.984 28.788 ( -5.117 0.000 -6.703) 8.433 31.011 ( 5.006 0.000 8.757) 10.087 31.066 ( 2.519 0.000 5.268) 5.840 32.653 ( 1.548 0.000 3.102) 3.467 32.725 ( -2.011 0.000 0.162) 2.018 32.995 ( -0.795 0.000 4.860) 4.925 33.028 ( 1.643 0.000 -0.409) 1.693 33.087 ( -1.273 0.000 -3.060) 3.315 33.112 ( -6.658 0.000 -0.502) 6.677 ======================= Grid point 199 (68/96) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -1.288 0.000 -4.906) 5.073 1.826 ( 1.288 0.000 -4.906) 5.073 2.239 ( -17.805 0.000 -3.792) 18.205 2.239 ( 17.805 0.000 -3.792) 18.205 2.653 ( -4.762 0.000 4.870) 6.811 2.653 ( 4.762 0.000 4.870) 6.811 3.512 ( -1.809 0.000 0.911) 2.025 3.512 ( 1.809 0.000 0.911) 2.025 4.254 ( -2.759 0.000 14.120) 14.387 4.254 ( 2.759 0.000 14.120) 14.387 4.618 ( -7.018 0.000 -1.670) 7.214 4.618 ( 7.018 0.000 -1.670) 7.214 4.750 ( -6.951 0.000 5.449) 8.832 4.750 ( 6.951 0.000 5.449) 8.832 4.932 ( -3.919 0.000 2.368) 4.579 4.932 ( 3.919 0.000 2.368) 4.579 5.343 ( -2.146 0.000 5.647) 6.041 5.343 ( 2.146 0.000 5.647) 6.041 5.548 ( -4.336 0.000 -8.180) 9.258 5.548 ( 4.336 0.000 -8.180) 9.258 6.314 ( -13.264 0.000 7.543) 15.258 6.314 ( 13.264 0.000 7.543) 15.258 6.691 ( -7.058 0.000 -6.160) 9.368 6.691 ( 7.058 0.000 -6.160) 9.368 7.144 ( -11.083 0.000 7.871) 13.593 7.144 ( 11.083 0.000 7.871) 13.593 7.427 ( -4.310 0.000 -1.359) 4.519 7.427 ( 4.310 0.000 -1.359) 4.519 8.093 ( -10.744 0.000 -13.179) 17.004 8.093 ( 10.744 0.000 -13.179) 17.004 8.990 ( -7.787 0.000 0.836) 7.832 8.990 ( 7.787 0.000 0.836) 7.832 9.193 ( -5.016 0.000 -14.815) 15.641 9.193 ( 5.016 0.000 -14.815) 15.641 10.811 ( -5.153 0.000 -0.748) 5.207 10.811 ( 5.153 0.000 -0.748) 5.207 12.570 ( -3.690 0.000 2.281) 4.338 12.570 ( 3.690 0.000 2.281) 4.338 13.522 ( -0.915 0.000 2.383) 2.553 13.522 ( 0.915 0.000 2.383) 2.553 14.104 ( -1.777 0.000 -0.705) 1.912 14.104 ( 1.777 0.000 -0.705) 1.912 14.427 ( -2.083 0.000 1.176) 2.392 14.427 ( 2.083 0.000 1.176) 2.392 14.990 ( -0.527 0.000 1.760) 1.837 14.990 ( 0.527 0.000 1.760) 1.837 15.300 ( -1.637 0.000 4.233) 4.538 15.300 ( 1.637 0.000 4.233) 4.538 15.551 ( -1.508 0.000 -2.277) 2.731 15.551 ( 1.508 0.000 -2.277) 2.731 15.933 ( -0.641 0.000 -1.955) 2.057 15.933 ( 0.641 0.000 -1.955) 2.057 18.788 ( -2.394 0.000 1.791) 2.990 18.788 ( 2.394 0.000 1.791) 2.990 19.287 ( -3.391 0.000 -1.447) 3.687 19.287 ( 3.391 0.000 -1.447) 3.687 26.812 ( -2.355 0.000 0.982) 2.551 26.812 ( 2.355 0.000 0.982) 2.551 27.280 ( -3.841 0.000 -2.520) 4.594 27.280 ( 3.841 0.000 -2.520) 4.594 28.429 ( -9.188 0.000 2.114) 9.429 28.429 ( 9.188 0.000 2.114) 9.429 28.662 ( -8.236 0.000 -4.277) 9.280 28.662 ( 8.236 0.000 -4.277) 9.280 31.078 ( -1.634 0.000 7.234) 7.416 31.078 ( 1.634 0.000 7.234) 7.416 32.687 ( -1.991 0.000 1.823) 2.699 32.687 ( 1.991 0.000 1.823) 2.699 33.015 ( -3.248 0.000 2.356) 4.013 33.015 ( 3.248 0.000 2.356) 4.013 33.059 ( -1.619 0.000 -1.918) 2.510 33.059 ( 1.619 0.000 -1.918) 2.510 ======================= Grid point 203 (69/96) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 0.000 1.024 -0.665) 1.221 1.953 ( 0.000 8.201 -2.031) 8.449 2.381 ( 0.000 2.579 20.923) 21.082 2.456 ( 0.000 6.043 14.146) 15.383 2.752 ( 0.000 16.553 1.687) 16.638 3.124 ( 0.000 -7.230 -3.137) 7.881 3.408 ( 0.000 5.169 3.384) 6.179 3.622 ( 0.000 11.858 -3.902) 12.483 3.937 ( 0.000 1.627 2.129) 2.679 3.952 ( 0.000 -2.859 12.781) 13.097 4.284 ( 0.000 4.747 10.124) 11.182 4.452 ( 0.000 -2.757 0.630) 2.828 4.468 ( 0.000 -0.971 9.415) 9.465 4.779 ( 0.000 -1.809 0.550) 1.891 4.920 ( 0.000 -0.380 -1.584) 1.629 4.924 ( 0.000 -1.080 -2.277) 2.520 5.546 ( 0.000 -16.350 6.969) 17.774 5.548 ( 0.000 -12.458 8.322) 14.982 5.755 ( 0.000 -10.457 -0.171) 10.458 6.019 ( 0.000 -10.649 -9.582) 14.326 6.200 ( 0.000 8.600 -0.618) 8.622 6.514 ( 0.000 14.787 -0.015) 14.787 6.693 ( 0.000 -3.095 -8.301) 8.859 6.774 ( 0.000 1.868 -1.616) 2.470 7.009 ( 0.000 -5.252 -1.932) 5.596 7.010 ( 0.000 -0.756 -2.489) 2.602 7.217 ( 0.000 5.029 -1.013) 5.130 7.346 ( 0.000 5.190 -6.057) 7.977 7.707 ( 0.000 -0.725 4.211) 4.272 8.242 ( 0.000 -0.036 -18.550) 18.550 8.447 ( 0.000 -13.677 11.471) 17.850 8.972 ( 0.000 -11.373 -12.512) 16.909 9.557 ( 0.000 11.849 -6.246) 13.394 9.581 ( 0.000 14.607 -4.346) 15.239 10.484 ( 0.000 -4.172 1.276) 4.362 10.822 ( 0.000 -4.803 -11.120) 12.113 12.510 ( 0.000 4.382 7.255) 8.476 12.725 ( 0.000 1.433 -3.263) 3.564 13.435 ( 0.000 -4.398 3.835) 5.835 13.437 ( 0.000 -3.917 4.345) 5.850 14.069 ( 0.000 3.888 0.632) 3.939 14.106 ( 0.000 3.466 -0.742) 3.545 14.463 ( 0.000 0.602 3.256) 3.311 14.552 ( 0.000 0.479 -0.822) 0.951 15.167 ( 0.000 1.638 2.123) 2.681 15.181 ( 0.000 1.045 2.286) 2.514 15.297 ( 0.000 -1.081 4.023) 4.166 15.400 ( 0.000 -2.630 0.094) 2.632 15.558 ( 0.000 -0.103 -0.568) 0.578 15.620 ( 0.000 -2.352 -3.404) 4.138 15.736 ( 0.000 -1.949 -0.017) 1.949 15.785 ( 0.000 -4.235 -1.962) 4.667 18.768 ( 0.000 6.765 1.297) 6.889 18.867 ( 0.000 1.861 -3.183) 3.687 19.182 ( 0.000 -0.828 5.021) 5.089 19.399 ( 0.000 -1.738 -5.004) 5.297 26.925 ( 0.000 -1.412 1.886) 2.356 26.940 ( 0.000 -1.112 -0.150) 1.122 27.101 ( 0.000 0.931 3.193) 3.325 27.329 ( 0.000 -1.592 -4.489) 4.763 28.046 ( 0.000 0.407 6.786) 6.798 28.181 ( 0.000 -1.169 0.205) 1.187 28.827 ( 0.000 1.481 -2.858) 3.219 28.878 ( 0.000 0.462 -6.483) 6.500 30.911 ( 0.000 3.468 9.069) 9.710 30.981 ( 0.000 0.983 4.382) 4.491 32.463 ( 0.000 -16.996 8.791) 19.135 32.672 ( 0.000 -21.522 2.255) 21.640 32.848 ( 0.000 6.464 -1.314) 6.596 32.923 ( 0.000 1.297 -1.458) 1.952 33.362 ( 0.000 10.559 -0.363) 10.565 33.443 ( 0.000 9.086 -4.230) 10.023 ======================= Grid point 204 (70/96) ======================= q-point: ( 0.17 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -1.705 3.925 0.358) 4.294 1.958 ( 0.253 7.023 -3.050) 7.661 2.251 ( -10.116 4.114 18.674) 21.633 2.515 ( 4.038 8.247 13.461) 16.294 2.739 ( 0.403 11.865 -0.379) 11.878 3.031 ( -12.243 -5.544 -9.727) 16.591 3.418 ( -0.101 4.010 3.075) 5.054 3.525 ( -4.258 5.522 -2.724) 7.486 3.992 ( 10.542 3.911 15.479) 19.132 4.106 ( 6.433 -4.385 3.303) 8.457 4.395 ( 9.484 4.700 9.476) 14.207 4.469 ( 2.656 -2.281 5.092) 6.180 4.520 ( 5.391 -0.280 6.959) 8.807 4.785 ( 0.460 -3.218 0.355) 3.270 4.905 ( -0.957 1.110 -0.333) 1.503 4.940 ( 0.991 -1.533 -1.500) 2.363 5.354 ( -11.036 -16.041 3.756) 19.830 5.409 ( -14.717 -14.380 1.920) 20.666 5.856 ( 8.277 -5.234 6.000) 11.484 6.061 ( -3.538 3.524 -7.800) 9.262 6.128 ( -6.548 8.995 -3.369) 11.625 6.487 ( -2.489 1.382 -10.263) 10.651 6.636 ( 5.047 0.565 9.573) 10.837 6.881 ( 3.068 -4.972 -2.670) 6.423 6.902 ( -10.558 -1.406 1.309) 10.731 7.095 ( 5.708 -1.718 -6.384) 8.734 7.196 ( 0.943 4.268 0.185) 4.374 7.376 ( 4.024 2.868 -7.120) 8.666 7.808 ( 7.115 0.087 2.216) 7.453 8.263 ( 1.303 -0.096 -17.209) 17.258 8.498 ( 6.244 -12.523 10.283) 17.365 8.967 ( -0.753 -10.631 -11.850) 15.938 9.452 ( -6.737 13.211 -4.285) 15.436 9.588 ( -2.724 12.881 -9.575) 16.279 10.526 ( 4.339 -4.686 2.021) 6.699 10.826 ( 0.045 -5.298 -9.562) 10.932 12.522 ( 1.369 4.509 6.731) 8.217 12.714 ( -1.233 2.098 -2.563) 3.534 13.426 ( -0.236 -4.691 4.375) 6.419 13.449 ( 0.579 -4.783 3.100) 5.729 14.082 ( 1.467 4.310 0.779) 4.619 14.129 ( 2.114 3.716 -1.157) 4.429 14.446 ( -1.642 0.478 3.306) 3.722 14.534 ( -1.960 0.472 -0.765) 2.157 15.131 ( -3.326 2.113 2.155) 4.491 15.176 ( -2.130 1.227 1.015) 2.659 15.285 ( -2.924 -0.405 3.430) 4.526 15.320 ( -2.344 -0.976 3.444) 4.278 15.574 ( -1.789 -0.632 -2.289) 2.974 15.596 ( -0.524 -2.399 -2.154) 3.267 15.782 ( 3.786 -3.541 -0.867) 5.256 15.810 ( 2.363 -4.546 -1.629) 5.377 18.777 ( 0.982 6.385 1.408) 6.611 18.866 ( -0.169 2.126 -2.413) 3.220 19.191 ( 1.036 -0.827 3.947) 4.163 19.382 ( -1.768 -1.637 -4.654) 5.241 26.867 ( -3.665 -0.081 2.878) 4.661 26.954 ( -1.314 -0.476 -1.787) 2.268 27.109 ( 1.731 -0.288 3.366) 3.796 27.322 ( -0.708 -2.158 -5.063) 5.549 28.116 ( 6.781 0.467 6.303) 9.270 28.263 ( 8.213 -1.022 -0.530) 8.293 28.772 ( -5.477 1.609 -1.885) 6.011 28.858 ( -2.330 0.365 -6.525) 6.938 30.945 ( 3.401 2.800 9.021) 10.039 31.011 ( 2.839 0.731 4.682) 5.524 32.468 ( 0.561 -17.593 8.644) 19.610 32.650 ( -2.265 -21.982 3.486) 22.372 32.838 ( -0.672 7.182 -2.016) 7.490 32.922 ( -0.400 1.662 -2.357) 2.912 33.352 ( -0.946 10.573 -0.406) 10.623 33.414 ( -2.728 9.666 -3.221) 10.548 ======================= Grid point 205 (71/96) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 0.310 6.019 0.441) 6.043 1.963 ( -0.517 8.602 -3.586) 9.334 2.120 ( -0.656 5.822 8.075) 9.977 2.590 ( -2.983 4.742 5.966) 8.184 2.656 ( -9.396 2.007 -5.609) 11.125 2.795 ( -4.364 8.246 -1.720) 9.486 3.436 ( 2.596 0.141 3.840) 4.637 3.509 ( -0.044 0.895 -0.338) 0.957 4.160 ( 6.108 -2.523 11.989) 13.690 4.211 ( 4.586 -4.534 5.841) 8.702 4.513 ( 4.081 2.220 5.831) 7.455 4.551 ( 5.725 -2.081 3.618) 7.085 4.674 ( 7.551 3.253 6.509) 10.487 4.777 ( -1.944 -7.400 0.401) 7.662 4.875 ( -2.229 -1.202 4.067) 4.791 4.955 ( 0.138 0.072 3.425) 3.429 5.159 ( -6.838 -12.563 -0.896) 14.331 5.216 ( -6.240 -10.123 1.646) 12.005 5.884 ( -7.611 13.539 -5.014) 16.321 5.940 ( -7.114 12.709 -6.946) 16.136 6.080 ( 7.929 -1.318 7.500) 10.994 6.471 ( -1.718 -2.604 -4.092) 5.145 6.671 ( -9.719 -1.853 -0.111) 9.895 6.796 ( 0.296 -5.275 0.860) 5.353 6.882 ( 6.081 0.564 5.178) 8.007 7.178 ( 2.768 -5.057 -1.708) 6.013 7.288 ( 5.624 -0.843 0.655) 5.725 7.418 ( -0.508 -2.006 -3.603) 4.155 7.940 ( 8.187 2.526 -3.858) 9.397 8.244 ( -4.211 0.064 -15.083) 15.660 8.674 ( 11.157 -10.133 5.225) 15.951 8.938 ( -2.564 -9.146 -8.747) 12.913 9.356 ( -2.657 12.880 -6.945) 14.873 9.488 ( -7.051 12.612 -12.567) 19.149 10.630 ( 6.243 -5.924 1.523) 8.740 10.808 ( -2.224 -6.301 -5.812) 8.856 12.560 ( 2.665 4.697 5.131) 7.449 12.677 ( -2.710 3.483 -0.408) 4.432 13.430 ( 0.699 -5.894 3.564) 6.923 13.455 ( -0.020 -5.994 2.263) 6.407 14.122 ( 2.606 5.010 0.611) 5.680 14.167 ( 1.437 4.520 -1.401) 4.945 14.417 ( -0.826 0.245 2.914) 3.039 14.484 ( -3.105 0.414 -0.283) 3.145 15.061 ( -3.516 3.027 1.842) 4.992 15.083 ( -5.392 2.606 1.235) 6.115 15.267 ( 1.143 -0.063 4.422) 4.568 15.312 ( -0.297 -0.672 3.534) 3.609 15.537 ( -1.251 -0.942 -1.884) 2.450 15.572 ( -2.064 -1.815 -2.214) 3.529 15.845 ( 2.490 -4.856 -1.381) 5.630 15.854 ( 1.910 -5.500 -1.505) 6.013 18.802 ( 1.604 5.380 1.475) 5.804 18.857 ( -0.896 2.908 -0.602) 3.102 19.223 ( 2.367 -0.892 1.262) 2.827 19.337 ( -2.999 -1.384 -3.550) 4.849 26.817 ( -1.241 1.130 2.404) 2.932 26.893 ( -4.179 1.106 -0.872) 4.410 27.172 ( 4.364 -2.133 0.653) 4.901 27.300 ( -1.792 -2.865 -4.580) 5.692 28.270 ( 9.276 1.121 5.054) 10.623 28.450 ( 10.474 -0.754 -3.446) 11.052 28.639 ( -8.190 1.711 1.155) 8.446 28.786 ( -5.470 -0.089 -6.137) 8.221 31.021 ( 4.164 1.393 8.525) 9.589 31.065 ( 2.311 0.269 5.716) 6.171 32.486 ( 1.509 -19.058 8.145) 20.781 32.592 ( -3.659 -21.720 5.649) 22.739 32.836 ( 0.609 7.238 -3.338) 7.994 32.901 ( -1.858 3.320 -3.783) 5.365 33.333 ( -0.837 10.613 -0.377) 10.653 33.361 ( -2.530 10.422 -1.357) 10.810 ======================= Grid point 206 (72/96) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -2.318 8.029 -1.299) 8.457 1.926 ( 2.318 8.029 -1.299) 8.457 2.276 ( -15.716 3.642 -4.864) 16.850 2.276 ( 15.716 3.642 -4.864) 16.850 2.724 ( -4.847 6.757 4.777) 9.590 2.724 ( 4.847 6.757 4.777) 9.590 3.488 ( -2.294 -1.147 1.705) 3.080 3.488 ( 2.294 -1.147 1.705) 3.080 4.235 ( -1.918 -4.608 9.239) 10.501 4.235 ( 1.918 -4.608 9.239) 10.501 4.598 ( -3.959 0.208 0.779) 4.040 4.598 ( 3.959 0.208 0.779) 4.040 4.721 ( -3.423 -5.771 2.594) 7.194 4.721 ( 3.423 -5.771 2.594) 7.194 4.911 ( -4.771 -0.326 8.614) 9.852 4.911 ( 4.771 -0.326 8.614) 9.852 5.135 ( -2.549 -7.262 -0.808) 7.739 5.135 ( 2.549 -7.262 -0.808) 7.739 5.828 ( -2.745 15.509 -6.629) 17.088 5.828 ( 2.745 15.509 -6.629) 17.088 6.298 ( -13.386 -1.801 7.241) 15.325 6.298 ( 13.386 -1.801 7.241) 15.325 6.674 ( -6.796 -1.768 -6.154) 9.337 6.674 ( 6.796 -1.768 -6.154) 9.337 7.096 ( -10.526 -3.848 7.582) 13.531 7.096 ( 10.526 -3.848 7.582) 13.531 7.381 ( -3.722 -4.197 -1.672) 5.853 7.381 ( 3.722 -4.197 -1.672) 5.854 8.111 ( -9.162 1.964 -10.994) 14.445 8.111 ( 9.162 1.964 -10.994) 14.445 8.853 ( -7.092 -8.981 -2.290) 11.670 8.853 ( 7.092 -8.981 -2.290) 11.670 9.371 ( -4.222 12.744 -11.133) 17.441 9.371 ( 4.222 12.744 -11.133) 17.441 10.740 ( -5.047 -6.719 -1.551) 8.545 10.740 ( 5.047 -6.719 -1.551) 8.545 12.618 ( -3.341 4.476 2.547) 6.139 12.618 ( 3.341 4.476 2.547) 6.139 13.447 ( -0.821 -6.570 2.445) 7.058 13.447 ( 0.821 -6.570 2.445) 7.058 14.166 ( -1.584 5.186 -0.320) 5.432 14.166 ( 1.584 5.186 -0.320) 5.432 14.430 ( -2.205 0.248 1.163) 2.505 14.430 ( 2.205 0.248 1.163) 2.505 15.026 ( -0.428 3.371 1.741) 3.818 15.026 ( 0.428 3.371 1.741) 3.818 15.296 ( -1.451 -0.400 3.994) 4.269 15.296 ( 1.451 -0.400 3.995) 4.269 15.537 ( -1.202 -1.267 -2.017) 2.668 15.537 ( 1.202 -1.267 -2.017) 2.668 15.871 ( -0.267 -5.591 -1.488) 5.792 15.871 ( 0.267 -5.591 -1.488) 5.792 18.833 ( -1.580 4.091 0.921) 4.481 18.833 ( 1.580 4.091 0.921) 4.481 19.277 ( -3.237 -1.095 -1.557) 3.755 19.277 ( 3.237 -1.095 -1.557) 3.755 26.828 ( -2.349 1.548 0.769) 2.917 26.828 ( 2.349 1.548 0.769) 2.917 27.250 ( -3.626 -2.893 -2.356) 5.203 27.250 ( 3.626 -2.893 -2.356) 5.203 28.449 ( -9.445 1.856 1.979) 9.827 28.449 ( 9.445 1.856 1.979) 9.827 28.654 ( -8.509 -0.702 -3.876) 9.376 28.654 ( 8.509 -0.702 -3.876) 9.376 31.077 ( -1.290 0.352 7.267) 7.390 31.077 ( 1.290 0.352 7.267) 7.390 32.528 ( -2.973 -20.586 7.185) 22.006 32.528 ( 2.973 -20.586 7.185) 22.006 32.861 ( -2.036 5.761 -4.102) 7.359 32.861 ( 2.036 5.761 -4.102) 7.359 33.330 ( -0.687 10.580 -0.436) 10.612 33.330 ( 0.687 10.580 -0.436) 10.612 ======================= Grid point 210 (73/96) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 0.000 5.517 2.468) 6.044 2.158 ( 0.000 10.135 -3.570) 10.745 2.496 ( 0.000 7.448 15.022) 16.767 2.551 ( 0.000 2.159 20.286) 20.400 3.029 ( 0.000 -2.288 -8.874) 9.164 3.050 ( 0.000 7.916 -4.853) 9.285 3.555 ( 0.000 9.592 3.988) 10.388 3.814 ( 0.000 5.292 -10.122) 11.422 3.919 ( 0.000 2.394 12.265) 12.496 4.021 ( 0.000 7.127 8.663) 11.218 4.406 ( 0.000 -2.217 2.509) 3.348 4.418 ( 0.000 5.252 4.303) 6.790 4.451 ( 0.000 2.123 9.071) 9.316 4.713 ( 0.000 -3.579 0.422) 3.604 4.911 ( 0.000 -0.059 2.964) 2.964 4.913 ( 0.000 -0.465 -4.069) 4.095 5.219 ( 0.000 -13.021 9.924) 16.371 5.297 ( 0.000 -11.451 5.820) 12.845 5.495 ( 0.000 -14.532 2.127) 14.687 5.722 ( 0.000 -16.845 -11.302) 20.285 6.327 ( 0.000 3.516 4.278) 5.538 6.578 ( 0.000 -6.348 -1.097) 6.442 6.790 ( 0.000 10.592 -4.661) 11.572 6.854 ( 0.000 5.092 -2.341) 5.604 6.954 ( 0.000 -0.283 -1.095) 1.131 7.022 ( 0.000 1.749 -3.637) 4.036 7.301 ( 0.000 2.698 -1.599) 3.136 7.426 ( 0.000 2.097 -5.940) 6.299 7.700 ( 0.000 0.633 4.506) 4.550 8.151 ( 0.000 -13.780 8.673) 16.282 8.254 ( 0.000 1.705 -17.985) 18.066 8.734 ( 0.000 -11.504 -15.826) 19.566 9.801 ( 0.000 11.452 -2.860) 11.804 9.906 ( 0.000 15.771 -4.564) 16.418 10.371 ( 0.000 -6.460 -0.084) 6.460 10.685 ( 0.000 -8.320 -11.376) 14.094 12.623 ( 0.000 6.063 5.665) 8.298 12.761 ( 0.000 1.798 -1.229) 2.178 13.335 ( 0.000 -4.643 4.287) 6.320 13.344 ( 0.000 -4.618 4.353) 6.346 14.156 ( 0.000 3.966 1.502) 4.241 14.183 ( 0.000 3.443 0.621) 3.499 14.481 ( 0.000 1.159 2.497) 2.753 14.559 ( 0.000 -0.025 -0.955) 0.956 15.208 ( 0.000 1.927 1.745) 2.600 15.209 ( 0.000 1.389 2.658) 2.999 15.271 ( 0.000 -1.099 2.840) 3.045 15.327 ( 0.000 -3.621 1.600) 3.959 15.555 ( 0.000 -0.234 -0.291) 0.373 15.583 ( 0.000 -0.901 -1.770) 1.986 15.682 ( 0.000 -5.233 -0.802) 5.294 15.683 ( 0.000 -2.956 -1.130) 3.164 18.922 ( 0.000 3.343 -1.891) 3.841 18.933 ( 0.000 8.385 -3.169) 8.964 19.154 ( 0.000 -1.908 3.759) 4.215 19.345 ( 0.000 -3.570 -5.281) 6.375 26.893 ( 0.000 -1.490 1.371) 2.025 26.911 ( 0.000 -1.608 -0.091) 1.610 27.129 ( 0.000 1.789 2.333) 2.940 27.284 ( 0.000 -2.574 -3.256) 4.150 28.059 ( 0.000 0.866 5.442) 5.510 28.150 ( 0.000 -1.752 0.964) 2.000 28.865 ( 0.000 1.956 -3.093) 3.660 28.892 ( 0.000 0.814 -5.290) 5.352 31.032 ( 0.000 8.417 8.158) 11.722 31.035 ( 0.000 4.748 6.995) 8.454 32.027 ( 0.000 -22.442 11.487) 25.211 32.199 ( 0.000 -23.409 3.592) 23.683 33.011 ( 0.000 8.243 -2.044) 8.492 33.029 ( 0.000 6.768 -1.728) 6.985 33.522 ( 0.000 5.227 -1.479) 5.432 33.580 ( 0.000 4.031 -4.888) 6.336 ======================= Grid point 211 (74/96) ======================= q-point: ( 0.17 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 0.304 5.857 2.866) 6.527 2.156 ( -0.137 9.870 -3.194) 10.375 2.356 ( -8.054 4.886 12.215) 15.425 2.683 ( 7.299 6.282 18.688) 21.023 2.870 ( -11.554 -2.560 -9.372) 15.096 3.084 ( -0.730 11.605 -2.667) 11.930 3.547 ( -2.257 9.299 6.299) 11.456 3.640 ( -9.019 5.315 -0.022) 10.468 3.964 ( 3.392 -7.427 -0.526) 8.182 4.079 ( 1.335 4.410 4.978) 6.783 4.403 ( 1.053 -1.929 2.504) 3.331 4.475 ( 2.465 -4.964 2.002) 5.893 4.587 ( 13.136 8.679 13.083) 20.471 4.694 ( -2.408 -3.484 2.649) 4.995 4.884 ( -2.549 -2.300 2.124) 4.037 4.969 ( 3.616 2.847 -0.534) 4.633 5.038 ( -9.143 -11.725 4.103) 15.424 5.197 ( -6.772 -5.421 0.150) 8.676 5.667 ( 14.270 -12.616 5.427) 19.805 5.926 ( 13.416 -13.237 -7.299) 20.211 6.287 ( -3.717 5.140 0.467) 6.360 6.502 ( -8.207 -2.276 -6.472) 10.697 6.706 ( -4.383 5.643 1.687) 7.342 6.790 ( -5.774 -0.777 -2.362) 6.287 6.936 ( -2.090 3.249 1.939) 4.322 7.072 ( 2.160 -1.077 -2.314) 3.344 7.267 ( -2.340 2.549 0.156) 3.463 7.412 ( -0.360 0.263 -5.963) 5.980 7.819 ( 9.266 1.324 1.939) 9.559 8.224 ( 7.059 -11.122 0.619) 13.188 8.286 ( 3.600 0.919 -9.630) 10.322 8.747 ( 1.083 -10.508 -14.528) 17.962 9.731 ( -5.762 13.193 -2.647) 14.638 9.880 ( -3.598 14.711 -7.862) 17.064 10.396 ( 2.615 -7.649 0.655) 8.110 10.674 ( -1.323 -9.164 -10.231) 13.798 12.641 ( 1.838 6.423 5.472) 8.636 12.768 ( 0.609 2.835 -0.825) 3.015 13.314 ( -1.750 -5.444 4.504) 7.279 13.337 ( -0.972 -5.538 3.539) 6.644 14.178 ( 2.321 4.419 1.481) 5.207 14.211 ( 2.749 3.696 0.296) 4.616 14.461 ( -1.914 1.043 2.637) 3.421 14.540 ( -1.984 -0.051 -0.908) 2.182 15.185 ( -2.001 2.782 1.798) 3.870 15.209 ( -1.022 1.780 1.771) 2.711 15.272 ( -1.222 -0.690 2.703) 3.045 15.291 ( -1.097 -1.664 3.241) 3.805 15.545 ( -1.525 -1.739 -0.783) 2.442 15.561 ( -1.597 -0.682 -1.925) 2.593 15.689 ( 1.148 -5.126 -0.551) 5.282 15.706 ( 1.434 -4.954 -1.143) 5.282 18.924 ( 0.261 4.464 -1.655) 4.768 18.938 ( 0.425 7.300 -2.543) 7.742 19.162 ( 0.965 -2.002 2.917) 3.667 19.330 ( -1.492 -3.420 -4.884) 6.146 26.867 ( -1.499 0.211 1.973) 2.487 26.936 ( 1.235 -1.231 -1.479) 2.287 27.110 ( -1.406 0.595 2.471) 2.904 27.263 ( -1.967 -3.314 -3.655) 5.311 28.132 ( 7.290 1.117 5.087) 8.960 28.234 ( 8.410 -1.655 0.325) 8.578 28.815 ( -5.029 2.281 -2.280) 5.974 28.869 ( -2.766 0.554 -5.203) 5.918 31.044 ( 1.712 6.463 8.202) 10.582 31.063 ( 2.325 5.572 6.871) 9.147 32.023 ( -0.386 -22.749 11.062) 25.299 32.173 ( -2.716 -23.524 4.141) 24.040 33.017 ( 0.780 9.110 -1.965) 9.352 33.043 ( 1.215 7.609 -2.276) 8.034 33.508 ( -1.395 4.767 -1.430) 5.168 33.555 ( -2.550 3.868 -4.139) 6.212 ======================= Grid point 212 (75/96) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 2.464 6.626 3.136) 7.734 2.146 ( -1.753 8.287 1.287) 8.567 2.258 ( -0.655 5.563 0.688) 5.644 2.603 ( -14.428 -2.841 -8.482) 16.976 2.824 ( 6.029 11.498 13.046) 18.405 3.031 ( -4.561 14.454 1.915) 15.277 3.474 ( -1.959 2.858 8.985) 9.630 3.555 ( -3.262 3.450 2.057) 5.174 4.034 ( 3.251 -9.775 -1.875) 10.470 4.081 ( -0.334 -3.575 1.676) 3.962 4.426 ( 1.453 -7.223 4.079) 8.422 4.492 ( -0.804 -13.667 4.016) 14.267 4.640 ( -1.691 -0.655 3.104) 3.595 4.746 ( -5.964 -0.602 1.264) 6.126 4.831 ( 6.786 2.763 9.012) 11.615 4.955 ( -2.058 -4.020 -1.242) 4.683 5.033 ( 5.252 1.800 0.816) 5.612 5.203 ( 3.562 10.428 2.126) 11.223 5.928 ( 13.115 -9.064 5.352) 16.817 6.057 ( 0.036 -0.429 -6.689) 6.702 6.205 ( -4.550 8.446 -4.242) 10.490 6.391 ( -2.536 -3.139 -5.671) 6.961 6.605 ( -7.408 -3.662 -0.124) 8.264 6.695 ( -2.652 -3.567 -1.076) 4.573 6.923 ( 2.326 3.363 4.938) 6.411 7.093 ( 0.808 -2.795 0.599) 2.970 7.259 ( -0.250 -1.796 0.833) 1.996 7.351 ( -5.313 -4.102 -1.548) 6.888 8.008 ( 10.437 3.853 -2.555) 11.415 8.268 ( -1.691 2.484 -13.213) 13.551 8.464 ( 12.394 -9.421 4.575) 16.227 8.751 ( -1.503 -8.980 -9.729) 13.325 9.644 ( -2.452 14.524 -5.539) 15.737 9.775 ( -6.845 14.730 -10.702) 19.451 10.462 ( 4.297 -10.045 -0.220) 10.928 10.629 ( -3.524 -10.746 -7.296) 13.458 12.688 ( 3.017 7.209 4.710) 9.124 12.772 ( -0.506 5.439 0.689) 5.506 13.284 ( -1.075 -7.628 3.817) 8.597 13.310 ( -1.701 -7.483 2.691) 8.132 14.233 ( 3.229 5.123 1.204) 6.174 14.268 ( 2.686 4.624 -0.270) 5.354 14.425 ( -1.332 0.554 2.678) 3.042 14.490 ( -3.139 0.002 -0.393) 3.164 15.142 ( -2.266 4.403 1.620) 5.210 15.154 ( -3.455 3.909 1.659) 5.474 15.264 ( 0.843 -0.295 3.936) 4.036 15.294 ( 0.040 -1.027 2.980) 3.152 15.513 ( -1.300 -1.205 -1.152) 2.114 15.530 ( -1.700 -1.693 -1.701) 2.941 15.713 ( 1.164 -6.958 -0.646) 7.084 15.726 ( 0.624 -6.610 -1.133) 6.735 18.931 ( 0.504 5.414 -0.988) 5.526 18.944 ( 0.077 6.393 -1.333) 6.531 19.191 ( 2.143 -2.247 0.684) 3.179 19.291 ( -2.580 -3.044 -3.718) 5.454 26.852 ( 0.130 2.286 1.654) 2.825 26.926 ( -2.365 1.978 -1.581) 3.465 27.113 ( 2.115 -3.215 0.900) 3.952 27.221 ( -2.534 -4.565 -3.535) 6.305 28.303 ( 10.411 2.015 4.001) 11.334 28.427 ( 11.250 -1.400 -1.718) 11.466 28.687 ( -8.435 2.716 0.008) 8.862 28.784 ( -6.329 -0.165 -4.694) 7.882 31.087 ( 2.422 5.181 8.119) 9.931 31.106 ( 1.841 4.628 6.827) 8.451 32.021 ( 0.422 -23.375 9.755) 25.332 32.109 ( -3.769 -23.727 5.638) 24.677 33.040 ( 1.541 10.948 -2.385) 11.310 33.064 ( 0.822 9.830 -2.984) 10.306 33.478 ( -1.492 3.572 -1.287) 4.080 33.500 ( -2.825 3.160 -2.489) 4.915 ======================= Grid point 213 (76/96) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -3.578 7.297 2.998) 8.662 2.089 ( 3.578 7.297 2.998) 8.662 2.356 ( -10.428 2.480 -7.001) 12.803 2.356 ( 10.428 2.480 -7.001) 12.803 2.933 ( -5.593 13.359 7.753) 16.427 2.933 ( 5.593 13.359 7.753) 16.427 3.492 ( -2.960 0.936 6.636) 7.326 3.492 ( 2.960 0.936 6.636) 7.326 4.071 ( -0.913 -8.350 -0.529) 8.417 4.071 ( 0.913 -8.350 -0.529) 8.417 4.460 ( -2.096 -14.067 5.181) 15.137 4.460 ( 2.096 -14.067 5.181) 15.137 4.649 ( -2.788 1.206 1.686) 3.474 4.649 ( 2.788 1.206 1.686) 3.474 4.917 ( -2.497 -2.682 -0.875) 3.768 4.917 ( 2.497 -2.682 -0.875) 3.768 5.173 ( -6.994 11.541 4.828) 14.332 5.173 ( 6.994 11.541 4.828) 14.332 6.059 ( -1.279 2.883 -7.203) 7.863 6.059 ( 1.279 2.883 -7.203) 7.863 6.242 ( -11.051 -0.727 4.723) 12.040 6.242 ( 11.051 -0.727 4.723) 12.040 6.610 ( -5.533 -4.516 -6.176) 9.442 6.610 ( 5.533 -4.516 -6.176) 9.442 7.035 ( -7.455 -0.968 6.865) 10.181 7.035 ( 7.455 -0.968 6.865) 10.181 7.272 ( -3.142 -5.873 -1.316) 6.789 7.272 ( 3.142 -5.873 -1.316) 6.789 8.181 ( -7.484 4.824 -6.899) 11.263 8.181 ( 7.484 4.824 -6.899) 11.263 8.664 ( -8.069 -9.232 -2.391) 12.492 8.664 ( 8.069 -9.232 -2.391) 12.492 9.662 ( -4.256 15.022 -9.703) 18.382 9.662 ( 4.256 15.022 -9.703) 18.382 10.549 ( -4.760 -11.378 -3.508) 12.822 10.549 ( 4.760 -11.378 -3.508) 12.822 12.743 ( -2.545 7.333 3.005) 8.324 12.743 ( 2.545 7.333 3.005) 8.324 13.283 ( -0.912 -8.774 2.747) 9.239 13.283 ( 0.912 -8.774 2.747) 9.239 14.282 ( -1.432 5.455 0.416) 5.655 14.282 ( 1.432 5.455 0.416) 5.655 14.434 ( -2.357 0.004 1.132) 2.615 14.434 ( 2.357 0.004 1.132) 2.615 15.118 ( -0.164 5.104 1.788) 5.410 15.118 ( 0.164 5.104 1.788) 5.410 15.284 ( -1.005 -0.688 3.430) 3.640 15.284 ( 1.006 -0.688 3.430) 3.640 15.506 ( -0.605 -1.396 -1.399) 2.068 15.506 ( 0.605 -1.396 -1.399) 2.068 15.728 ( -0.372 -7.557 -0.943) 7.625 15.728 ( 0.372 -7.557 -0.943) 7.625 18.940 ( -0.403 5.906 -0.668) 5.957 18.940 ( 0.403 5.906 -0.668) 5.957 19.239 ( -2.853 -2.606 -1.813) 4.268 19.239 ( 2.853 -2.606 -1.813) 4.268 26.876 ( -2.347 3.133 0.205) 3.920 26.876 ( 2.347 3.133 0.205) 3.920 27.167 ( -3.131 -4.849 -1.911) 6.080 27.167 ( 3.131 -4.849 -1.911) 6.080 28.500 ( -10.001 2.903 1.446) 10.514 28.500 ( 10.001 2.903 1.446) 10.514 28.635 ( -9.243 -1.093 -2.756) 9.707 28.635 ( 9.243 -1.093 -2.756) 9.707 31.118 ( -0.635 4.357 7.454) 8.657 31.118 ( 0.635 4.357 7.454) 8.657 32.047 ( -2.495 -23.756 7.725) 25.104 32.047 ( 2.495 -23.756 7.725) 25.104 33.065 ( -0.803 11.650 -3.037) 12.066 33.065 ( 0.803 11.650 -3.037) 12.066 33.466 ( -0.523 2.642 -1.366) 3.020 33.466 ( 0.523 2.642 -1.366) 3.020 ======================= Grid point 217 (77/96) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 0.000 7.888 3.765) 8.741 2.270 ( 0.000 -1.407 1.401) 1.986 2.606 ( 0.000 4.883 11.697) 12.675 2.635 ( 0.000 4.233 9.211) 10.137 2.989 ( 0.000 -1.635 -4.223) 4.528 3.030 ( 0.000 -5.630 -2.744) 6.263 3.756 ( 0.000 7.343 -1.851) 7.573 3.845 ( 0.000 -1.568 -6.928) 7.104 4.123 ( 0.000 15.608 7.790) 17.444 4.190 ( 0.000 7.832 7.090) 10.565 4.330 ( 0.000 -5.160 4.193) 6.649 4.384 ( 0.000 -5.951 -0.171) 5.954 4.601 ( 0.000 5.262 10.584) 11.820 4.655 ( 0.000 -2.210 3.336) 4.001 4.873 ( 0.000 -1.236 3.334) 3.556 4.919 ( 0.000 -0.635 8.055) 8.080 5.108 ( 0.000 -4.479 5.008) 6.719 5.120 ( 0.000 3.973 -1.675) 4.312 5.215 ( 0.000 -9.841 3.777) 10.541 5.372 ( 0.000 -15.789 -11.174) 19.343 6.380 ( 0.000 2.536 3.529) 4.346 6.455 ( 0.000 -4.977 1.386) 5.166 6.936 ( 0.000 2.357 -1.591) 2.844 6.949 ( 0.000 2.206 -2.304) 3.190 6.978 ( 0.000 4.455 -0.332) 4.468 7.050 ( 0.000 -0.581 -0.529) 0.785 7.349 ( 0.000 3.000 -6.317) 6.993 7.419 ( 0.000 -2.657 -7.142) 7.620 7.755 ( 0.000 4.898 5.480) 7.350 7.905 ( 0.000 -9.728 7.071) 12.026 8.334 ( 0.000 6.259 -18.289) 19.330 8.507 ( 0.000 -10.134 -17.735) 20.426 10.020 ( 0.000 9.635 0.206) 9.637 10.168 ( 0.000 1.681 3.770) 4.128 10.266 ( 0.000 3.992 -11.378) 12.058 10.485 ( 0.000 -10.912 -11.163) 15.611 12.736 ( 0.000 4.245 3.363) 5.415 12.782 ( 0.000 -0.244 0.949) 0.980 13.263 ( 0.000 -1.934 4.661) 5.046 13.267 ( 0.000 -2.329 4.687) 5.234 14.219 ( 0.000 1.985 2.219) 2.978 14.231 ( 0.000 0.954 1.919) 2.143 14.511 ( 0.000 1.725 0.917) 1.954 14.545 ( 0.000 -1.333 -0.520) 1.430 15.220 ( 0.000 -0.247 3.983) 3.990 15.223 ( 0.000 -0.481 3.522) 3.555 15.273 ( 0.000 1.101 0.875) 1.406 15.287 ( 0.000 -0.368 0.780) 0.862 15.552 ( 0.000 0.272 -0.124) 0.299 15.575 ( 0.000 -1.025 -1.445) 1.772 15.599 ( 0.000 -1.205 -0.168) 1.217 15.625 ( 0.000 -2.419 -1.597) 2.899 18.998 ( 0.000 3.868 -0.459) 3.895 19.058 ( 0.000 0.264 -1.949) 1.967 19.138 ( 0.000 3.664 -1.616) 4.004 19.252 ( 0.000 -5.374 -5.350) 7.583 26.873 ( 0.000 -0.306 0.736) 0.797 26.881 ( 0.000 -1.055 0.184) 1.071 27.173 ( 0.000 2.449 0.683) 2.543 27.228 ( 0.000 -2.786 -1.366) 3.103 28.081 ( 0.000 1.339 3.755) 3.987 28.113 ( 0.000 -1.711 2.179) 2.771 28.898 ( 0.000 1.055 -3.445) 3.603 28.905 ( 0.000 0.299 -4.139) 4.150 31.187 ( 0.000 9.551 10.085) 13.890 31.242 ( 0.000 9.487 8.346) 12.636 31.626 ( 0.000 -12.940 9.864) 16.271 31.746 ( 0.000 -19.053 4.617) 19.605 33.144 ( 0.000 3.716 -1.810) 4.134 33.145 ( 0.000 3.471 -1.475) 3.772 33.593 ( 0.000 2.071 -3.051) 3.687 33.617 ( 0.000 -0.097 -4.513) 4.514 ======================= Grid point 218 (78/96) ======================= q-point: ( 0.17 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 0.211 7.687 3.018) 8.261 2.269 ( -0.052 -1.499 0.165) 1.508 2.467 ( -8.396 8.117 6.395) 13.315 2.651 ( -5.327 -7.853 3.533) 10.125 2.955 ( 3.278 9.787 5.511) 11.700 3.146 ( 6.242 -6.123 1.434) 8.861 3.734 ( -3.715 5.915 -0.685) 7.018 3.839 ( -9.316 -1.702 5.051) 10.732 3.873 ( -6.020 15.461 1.531) 16.662 4.183 ( -6.171 2.872 -0.244) 6.811 4.262 ( -6.723 -11.793 6.384) 15.001 4.337 ( -2.546 -5.202 2.346) 6.249 4.634 ( 0.848 1.096 2.646) 2.987 4.702 ( 4.316 -3.275 1.018) 5.513 4.876 ( -4.869 1.764 2.944) 5.957 4.945 ( -5.376 -4.004 -1.388) 6.845 5.002 ( 10.086 10.767 7.995) 16.780 5.241 ( 11.685 0.413 0.226) 11.694 5.399 ( 16.026 -5.248 4.017) 17.336 5.617 ( 16.776 -15.389 -4.663) 23.238 6.356 ( -2.141 2.599 1.360) 3.631 6.422 ( -3.115 -4.056 -0.520) 5.141 6.810 ( -11.527 3.524 -2.736) 12.361 6.824 ( -9.399 1.883 -3.483) 10.199 7.002 ( -0.459 2.428 0.569) 2.536 7.041 ( -0.351 -1.750 -0.127) 1.789 7.315 ( -3.770 2.725 -0.270) 4.659 7.381 ( -3.311 -3.006 -2.866) 5.312 7.877 ( 10.686 4.508 2.276) 11.820 8.011 ( 10.325 -8.559 3.708) 13.914 8.369 ( 3.144 6.457 -15.539) 17.118 8.538 ( 2.745 -9.510 -15.812) 18.654 9.986 ( -3.011 11.416 -0.513) 11.818 10.154 ( -1.987 5.748 -0.578) 6.109 10.240 ( -1.963 -1.533 -8.316) 8.681 10.457 ( -3.035 -11.751 -10.623) 16.129 12.762 ( 2.826 4.682 3.444) 6.463 12.809 ( 2.753 0.364 1.088) 2.982 13.228 ( -3.476 -2.223 4.705) 6.258 13.241 ( -2.890 -3.224 4.174) 6.014 14.249 ( 2.984 2.230 2.110) 4.281 14.263 ( 3.164 1.012 1.741) 3.750 14.490 ( -2.056 1.752 1.032) 2.892 14.525 ( -2.000 -1.389 -0.442) 2.475 15.224 ( 0.068 0.643 3.292) 3.354 15.229 ( 0.764 -0.014 3.616) 3.696 15.270 ( -1.245 0.205 1.736) 2.146 15.271 ( -0.413 0.346 0.827) 0.987 15.535 ( -1.531 0.818 -0.267) 1.756 15.559 ( -1.688 0.347 -1.652) 2.387 15.594 ( -0.500 -3.128 -0.208) 3.174 15.617 ( -0.799 -3.467 -1.448) 3.841 19.008 ( 0.989 4.079 -0.506) 4.228 19.067 ( 0.946 1.107 -2.544) 2.931 19.133 ( -0.421 2.523 -0.917) 2.717 19.241 ( -1.168 -5.221 -4.890) 7.248 26.879 ( 0.926 0.968 0.794) 1.557 26.906 ( 2.246 -1.553 -0.460) 2.770 27.138 ( -3.405 2.123 0.533) 4.047 27.194 ( -3.233 -3.198 -1.684) 4.849 28.161 ( 7.969 1.654 3.423) 8.830 28.198 ( 8.401 -1.837 1.717) 8.769 28.857 ( -4.288 1.570 -2.884) 5.401 28.875 ( -3.459 -0.181 -3.848) 5.177 31.202 ( 1.612 9.612 9.782) 13.809 31.254 ( 1.186 9.826 7.978) 12.712 31.612 ( -1.375 -13.997 9.831) 17.159 31.720 ( -2.694 -18.987 5.020) 19.823 33.168 ( 2.610 4.440 -1.640) 5.405 33.173 ( 2.807 3.860 -1.769) 5.090 33.566 ( -2.752 1.483 -2.862) 4.238 33.586 ( -3.181 -0.272 -4.096) 5.194 ======================= Grid point 219 (79/96) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 2.115 6.864 1.248) 7.290 2.277 ( 1.265 -1.415 -2.461) 3.108 2.328 ( -6.173 7.220 2.299) 9.774 2.494 ( -9.424 -7.325 -4.255) 12.672 3.073 ( 7.959 11.983 15.330) 21.023 3.243 ( 4.243 -0.238 6.661) 7.901 3.541 ( -13.178 5.914 16.713) 22.090 3.616 ( -9.674 0.719 8.336) 12.790 3.929 ( 4.260 1.757 -7.166) 8.520 4.073 ( -3.854 -0.275 -3.570) 5.261 4.165 ( -2.977 -10.227 3.395) 11.179 4.268 ( -4.719 -8.886 0.463) 10.072 4.658 ( 1.741 3.150 -0.516) 3.636 4.757 ( -0.879 -1.447 -3.905) 4.256 4.778 ( -1.233 -1.699 0.057) 2.100 4.862 ( -3.290 -5.166 -4.206) 7.430 5.265 ( 14.935 16.740 9.563) 24.387 5.490 ( 10.570 11.534 1.618) 15.728 5.668 ( 12.346 -11.424 5.103) 17.578 5.871 ( 8.210 -14.659 -2.949) 17.058 6.319 ( -1.123 3.610 -2.683) 4.636 6.374 ( -0.640 -1.255 -4.719) 4.925 6.583 ( -11.538 2.087 -3.080) 12.123 6.640 ( -9.310 -2.544 -4.426) 10.618 6.996 ( 1.238 3.133 2.300) 4.079 7.050 ( 1.756 -2.020 0.714) 2.770 7.232 ( -5.837 0.079 2.447) 6.330 7.272 ( -7.413 -3.227 1.672) 8.256 8.103 ( 12.598 5.605 -0.320) 13.793 8.239 ( 12.870 -7.022 -0.463) 14.668 8.409 ( 0.014 5.805 -8.075) 9.945 8.568 ( -0.873 -8.631 -9.958) 13.207 9.943 ( -0.714 14.166 -3.784) 14.680 10.079 ( -5.614 13.891 -8.575) 17.263 10.229 ( 1.153 -11.828 -3.267) 12.325 10.378 ( -5.094 -13.318 -8.899) 16.808 12.836 ( 4.716 6.246 3.622) 8.624 12.876 ( 3.926 3.229 1.672) 5.351 13.145 ( -4.824 -4.518 4.276) 7.872 13.166 ( -4.685 -5.673 3.318) 8.071 14.317 ( 3.811 2.683 1.762) 4.983 14.334 ( 4.016 1.253 1.202) 4.376 14.445 ( -2.530 1.497 1.329) 3.227 14.478 ( -2.923 -1.281 -0.023) 3.191 15.219 ( -0.460 2.674 2.578) 3.743 15.230 ( -1.105 2.990 1.933) 3.728 15.253 ( 0.497 -0.794 3.331) 3.461 15.272 ( -0.036 -1.213 2.159) 2.477 15.508 ( -1.100 1.379 -0.639) 1.876 15.523 ( -1.766 1.353 -1.474) 2.669 15.584 ( -0.483 -5.177 -0.597) 5.234 15.599 ( -1.069 -5.226 -1.251) 5.479 19.033 ( 1.568 4.730 -0.793) 5.046 19.081 ( -0.086 5.122 -3.359) 6.125 19.133 ( 0.920 -2.400 -0.015) 2.570 19.210 ( -2.079 -4.834 -3.681) 6.422 26.908 ( 2.211 3.020 0.483) 3.774 26.955 ( 2.471 -0.373 -1.615) 2.975 27.068 ( -3.356 0.114 0.437) 3.387 27.125 ( -3.846 -4.346 -2.044) 6.153 28.349 ( 11.368 2.282 2.342) 11.829 28.393 ( 11.642 -1.929 0.327) 11.805 28.740 ( -8.073 2.269 -1.344) 8.493 28.774 ( -7.299 -0.970 -2.947) 7.931 31.242 ( 2.365 10.208 8.943) 13.776 31.278 ( 1.029 11.067 7.382) 13.343 31.587 ( -0.876 -16.946 9.469) 19.432 31.656 ( -3.776 -19.048 6.212) 20.388 33.235 ( 4.270 6.497 -1.900) 8.004 33.241 ( 4.140 5.845 -2.083) 7.460 33.498 ( -4.174 -0.664 -2.365) 4.843 33.508 ( -4.764 -1.466 -3.061) 5.849 ======================= Grid point 220 (80/96) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -4.159 6.522 0.362) 7.744 2.232 ( 4.159 6.522 0.362) 7.744 2.343 ( -6.020 -3.599 -4.873) 8.540 2.343 ( 6.020 -3.599 -4.873) 8.540 3.228 ( -7.583 13.778 13.912) 20.998 3.228 ( 7.583 13.778 13.912) 20.998 3.451 ( -5.670 -6.646 14.815) 17.199 3.451 ( 5.670 -6.646 14.815) 17.199 4.005 ( -3.958 3.454 -5.426) 7.552 4.005 ( 3.958 3.454 -5.426) 7.552 4.180 ( -3.922 -12.028 -0.409) 12.657 4.180 ( 3.922 -12.028 -0.409) 12.657 4.698 ( -2.696 4.055 -1.757) 5.177 4.698 ( 2.696 4.055 -1.757) 5.177 4.813 ( -2.247 -6.287 -3.772) 7.668 4.813 ( 2.247 -6.287 -3.772) 7.668 5.503 ( -8.675 18.260 5.520) 20.956 5.503 ( 8.675 18.260 5.520) 20.956 5.869 ( -7.787 -15.999 2.289) 17.940 5.869 ( 7.787 -15.999 2.289) 17.940 6.353 ( -4.598 7.369 -5.123) 10.084 6.353 ( 4.598 7.369 -5.123) 10.084 6.496 ( -5.096 -6.364 -6.068) 10.164 6.496 ( 5.096 -6.364 -6.068) 10.164 7.065 ( -4.506 3.363 4.383) 7.129 7.065 ( 4.506 3.363 4.383) 7.129 7.156 ( -3.435 -5.186 0.974) 6.296 7.156 ( 3.435 -5.186 0.974) 6.296 8.308 ( -8.036 7.361 -3.916) 11.580 8.308 ( 8.036 7.361 -3.916) 11.580 8.477 ( -8.607 -8.808 -2.589) 12.584 8.477 ( 8.607 -8.808 -2.589) 12.584 9.978 ( -4.311 15.324 -8.032) 17.830 9.978 ( 4.311 15.324 -8.032) 17.830 10.284 ( -4.457 -14.084 -5.857) 15.891 10.284 ( 4.457 -14.084 -5.857) 15.891 12.910 ( -1.762 8.722 3.217) 9.462 12.910 ( 1.762 8.722 3.217) 9.462 13.096 ( -1.232 -9.167 3.088) 9.752 13.096 ( 1.232 -9.167 3.088) 9.752 14.376 ( -1.673 3.465 0.977) 3.969 14.376 ( 1.673 3.465 0.977) 3.969 14.423 ( -2.158 -1.260 1.124) 2.740 14.423 ( 2.158 -1.260 1.124) 2.740 15.216 ( -0.246 3.802 2.247) 4.423 15.216 ( 0.246 3.802 2.247) 4.423 15.265 ( -0.598 -1.302 2.859) 3.198 15.265 ( 0.598 -1.302 2.859) 3.198 15.501 ( -0.460 1.575 -1.063) 1.955 15.501 ( 0.460 1.575 -1.063) 1.955 15.583 ( -0.479 -6.016 -0.989) 6.116 15.583 ( 0.479 -6.016 -0.989) 6.116 19.062 ( -1.515 5.692 -1.701) 6.131 19.062 ( 1.515 5.692 -1.701) 6.131 19.167 ( -2.322 -4.351 -1.978) 5.314 19.167 ( 2.322 -4.351 -1.978) 5.314 26.956 ( -2.414 4.565 -0.535) 5.192 26.956 ( 2.414 4.565 -0.535) 5.192 27.060 ( -2.665 -5.340 -1.276) 6.103 27.060 ( 2.665 -5.340 -1.276) 6.103 28.560 ( -10.333 2.713 0.347) 10.689 28.560 ( 10.333 2.713 0.347) 10.689 28.607 ( -10.035 -1.773 -1.195) 10.260 28.607 ( 10.035 -1.773 -1.195) 10.260 31.278 ( -1.184 11.491 7.808) 13.943 31.278 ( 1.184 11.491 7.808) 13.943 31.596 ( -2.092 -19.141 8.045) 20.868 31.596 ( 2.092 -19.141 8.045) 20.868 33.294 ( -0.248 9.766 -2.474) 10.078 33.294 ( 0.248 9.766 -2.474) 10.078 33.445 ( -0.222 -4.484 -1.992) 4.911 33.445 ( 0.222 -4.484 -1.992) 4.911 ======================= Grid point 245 (81/96) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 0.000 0.000 -2.059) 2.059 1.869 ( 0.000 0.000 2.059) 2.059 2.503 ( 0.000 0.000 -2.451) 2.451 2.503 ( 0.000 0.000 2.451) 2.451 2.957 ( 0.000 0.000 -23.945) 23.945 2.957 ( 0.000 0.000 23.945) 23.945 3.402 ( 0.000 0.000 -1.971) 1.971 3.402 ( 0.000 0.000 1.971) 1.971 4.053 ( 0.000 0.000 -5.420) 5.420 4.053 ( 0.000 0.000 5.420) 5.420 4.406 ( 0.000 0.000 -6.412) 6.412 4.406 ( 0.000 0.000 6.412) 6.412 4.713 ( 0.000 0.000 -9.253) 9.253 4.713 ( 0.000 0.000 9.253) 9.253 4.906 ( 0.000 0.000 -0.885) 0.885 4.906 ( 0.000 0.000 0.886) 0.886 5.885 ( 0.000 0.000 -3.420) 3.420 5.885 ( 0.000 0.000 3.420) 3.420 5.932 ( 0.000 0.000 -9.752) 9.752 5.932 ( 0.000 0.000 9.752) 9.752 6.092 ( 0.000 0.000 -16.076) 16.076 6.092 ( 0.000 0.000 16.076) 16.076 6.711 ( 0.000 0.000 -3.564) 3.564 6.711 ( 0.000 0.000 3.564) 3.564 7.095 ( 0.000 0.000 -0.689) 0.689 7.095 ( 0.000 0.000 0.689) 0.689 7.120 ( 0.000 0.000 -5.819) 5.819 7.120 ( 0.000 0.000 5.819) 5.819 7.893 ( 0.000 0.000 -13.203) 13.203 7.893 ( 0.000 0.000 13.203) 13.203 8.911 ( 0.000 0.000 -13.002) 13.002 8.911 ( 0.000 0.000 13.002) 13.002 9.305 ( 0.000 0.000 -1.684) 1.684 9.305 ( 0.000 0.000 1.684) 1.684 10.656 ( 0.000 0.000 -9.359) 9.359 10.656 ( 0.000 0.000 9.359) 9.359 12.604 ( 0.000 0.000 -5.946) 5.946 12.604 ( 0.000 0.000 5.946) 5.946 13.529 ( 0.000 0.000 -0.109) 0.109 13.529 ( 0.000 0.000 0.109) 0.109 14.038 ( 0.000 0.000 -1.105) 1.105 14.038 ( 0.000 0.000 1.105) 1.105 14.515 ( 0.000 0.000 -2.218) 2.218 14.515 ( 0.000 0.000 2.218) 2.218 15.187 ( 0.000 0.000 -0.692) 0.692 15.187 ( 0.000 0.000 0.692) 0.692 15.395 ( 0.000 0.000 -3.023) 3.023 15.395 ( 0.000 0.000 3.023) 3.023 15.567 ( 0.000 0.000 -2.241) 2.241 15.567 ( 0.000 0.000 2.241) 2.241 15.785 ( 0.000 0.000 -1.983) 1.983 15.785 ( 0.000 0.000 1.983) 1.983 18.771 ( 0.000 0.000 -3.746) 3.746 18.771 ( 0.000 0.000 3.746) 3.746 19.306 ( 0.000 0.000 -5.620) 5.620 19.306 ( 0.000 0.000 5.620) 5.620 26.952 ( 0.000 0.000 -0.114) 0.114 26.952 ( 0.000 0.000 0.114) 0.114 27.215 ( 0.000 0.000 -7.126) 7.126 27.215 ( 0.000 0.000 7.126) 7.126 28.156 ( 0.000 0.000 -3.649) 3.649 28.156 ( 0.000 0.000 3.649) 3.649 28.789 ( 0.000 0.000 -1.139) 1.139 28.789 ( 0.000 0.000 1.139) 1.139 30.996 ( 0.000 0.000 -1.956) 1.956 30.996 ( 0.000 0.000 1.956) 1.956 32.706 ( 0.000 0.000 -3.737) 3.737 32.706 ( 0.000 0.000 3.737) 3.737 33.040 ( 0.000 0.000 -2.906) 2.906 33.040 ( 0.000 0.000 2.906) 2.906 33.180 ( 0.000 0.000 -5.947) 5.947 33.180 ( 0.000 0.000 5.947) 5.947 ======================= Grid point 247 (82/96) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -2.814 0.000 -1.983) 3.442 1.838 ( -2.814 0.000 1.983) 3.442 2.563 ( 5.451 0.000 -4.100) 6.821 2.563 ( 5.451 0.000 4.100) 6.821 2.715 ( -20.601 0.000 -23.007) 30.882 2.715 ( -20.601 0.000 23.007) 30.882 3.429 ( 2.708 0.000 -2.062) 3.404 3.429 ( 2.708 0.000 2.062) 3.404 4.203 ( 10.454 0.000 -3.211) 10.935 4.203 ( 10.454 0.000 3.211) 10.935 4.467 ( 6.559 0.000 -4.005) 7.686 4.467 ( 6.559 0.000 4.005) 7.686 4.735 ( 2.166 0.000 -8.558) 8.828 4.735 ( 2.166 0.000 8.558) 8.828 4.910 ( 0.628 0.000 -2.177) 2.266 4.910 ( 0.628 0.000 2.177) 2.266 5.694 ( -15.420 0.000 -5.571) 16.396 5.694 ( -15.420 0.000 5.571) 16.396 5.782 ( -10.041 0.000 -4.012) 10.813 5.782 ( -10.041 0.000 4.012) 10.813 6.213 ( 5.719 0.000 -15.005) 16.058 6.213 ( 5.719 0.000 15.005) 16.058 6.844 ( 11.921 0.000 -8.043) 14.380 6.844 ( 11.921 0.000 8.043) 14.380 6.982 ( -9.752 0.000 -3.826) 10.475 6.982 ( -9.752 0.000 3.826) 10.475 7.200 ( 7.492 0.000 -5.561) 9.330 7.200 ( 7.492 0.000 5.561) 9.330 7.951 ( 3.931 0.000 -11.515) 12.167 7.951 ( 3.931 0.000 11.515) 12.167 8.922 ( 1.395 0.000 -11.805) 11.887 8.922 ( 1.395 0.000 11.805) 11.887 9.236 ( -6.668 0.000 -4.450) 8.017 9.236 ( -6.668 0.000 4.450) 8.017 10.697 ( 3.809 0.000 -8.168) 9.013 10.697 ( 3.809 0.000 8.168) 9.013 12.601 ( -0.267 0.000 -5.242) 5.249 12.601 ( -0.267 0.000 5.242) 5.249 13.534 ( 0.454 0.000 -0.520) 0.691 13.534 ( 0.454 0.000 0.520) 0.691 14.051 ( 1.271 0.000 -1.368) 1.867 14.051 ( 1.271 0.000 1.368) 1.867 14.498 ( -1.694 0.000 -2.138) 2.728 14.498 ( -1.694 0.000 2.138) 2.728 15.152 ( -3.971 0.000 -1.557) 4.265 15.152 ( -3.971 0.000 1.557) 4.265 15.355 ( -2.263 0.000 -1.677) 2.816 15.355 ( -2.263 0.000 1.677) 2.816 15.568 ( -0.611 0.000 -1.687) 1.794 15.568 ( -0.611 0.000 1.687) 1.794 15.823 ( 3.448 0.000 -1.296) 3.684 15.823 ( 3.448 0.000 1.296) 3.684 18.780 ( 0.857 0.000 -3.381) 3.488 18.780 ( 0.857 0.000 3.381) 3.488 19.297 ( -0.818 0.000 -5.006) 5.072 19.297 ( -0.818 0.000 5.006) 5.072 26.921 ( -3.162 0.000 -1.995) 3.739 26.921 ( -3.162 0.000 1.995) 3.739 27.217 ( 0.581 0.000 -6.192) 6.219 27.217 ( 0.581 0.000 6.192) 6.219 28.224 ( 6.538 0.000 -3.993) 7.661 28.224 ( 6.538 0.000 3.993) 7.661 28.757 ( -3.226 0.000 -2.276) 3.948 28.757 ( -3.226 0.000 2.276) 3.948 31.034 ( 3.808 0.000 -1.801) 4.212 31.034 ( 3.808 0.000 1.801) 4.212 32.707 ( 0.025 0.000 -3.243) 3.243 32.707 ( 0.025 0.000 3.243) 3.243 33.040 ( -0.064 0.000 -2.524) 2.525 33.040 ( -0.064 0.000 2.524) 2.525 33.147 ( -3.319 0.000 -5.113) 6.096 33.147 ( -3.319 0.000 5.113) 6.096 ======================= Grid point 249 (83/96) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -2.129 0.000 -1.255) 2.471 1.788 ( -2.129 0.000 1.255) 2.471 2.351 ( -15.719 0.000 -15.313) 21.945 2.351 ( -15.719 0.000 15.313) 21.945 2.663 ( 4.328 0.000 -3.478) 5.552 2.663 ( 4.328 0.000 3.478) 5.552 3.490 ( 3.277 0.000 -1.467) 3.590 3.490 ( 3.277 0.000 1.467) 3.590 4.356 ( 6.955 0.000 -5.181) 8.672 4.356 ( 6.955 0.000 5.181) 8.672 4.568 ( 1.138 0.000 -8.074) 8.154 4.568 ( 1.138 0.000 8.074) 8.154 4.781 ( 2.183 0.000 -5.285) 5.718 4.781 ( 2.183 0.000 5.285) 5.718 4.940 ( 2.770 0.000 -3.635) 4.570 4.940 ( 2.770 0.000 3.635) 4.570 5.477 ( -6.768 0.000 -1.096) 6.857 5.477 ( -6.768 0.000 1.096) 6.857 5.565 ( -11.502 0.000 -4.092) 12.208 5.565 ( -11.502 0.000 4.092) 12.208 6.319 ( 6.906 0.000 -11.439) 13.362 6.319 ( 6.906 0.000 11.439) 13.362 6.751 ( -12.189 0.000 -5.087) 13.208 6.751 ( -12.189 0.000 5.087) 13.208 7.108 ( 12.467 0.000 -9.640) 15.759 7.108 ( 12.467 0.000 9.640) 15.759 7.349 ( 7.092 0.000 -3.971) 8.129 7.349 ( 7.092 0.000 3.971) 8.129 7.971 ( -1.958 0.000 -9.221) 9.426 7.971 ( -1.958 0.000 9.221) 9.426 8.966 ( 2.913 0.000 -6.992) 7.575 8.966 ( 2.913 0.000 6.992) 7.575 9.099 ( -6.721 0.000 -4.349) 8.006 9.099 ( -6.721 0.000 4.349) 8.006 10.771 ( 3.366 0.000 -4.751) 5.822 10.771 ( 3.366 0.000 4.751) 5.822 12.595 ( -0.291 0.000 -3.138) 3.151 12.595 ( -0.291 0.000 3.138) 3.151 13.544 ( 0.570 0.000 -0.583) 0.816 13.544 ( 0.570 0.000 0.583) 0.816 14.079 ( 1.538 0.000 -1.269) 1.994 14.079 ( 1.538 0.000 1.269) 1.994 14.461 ( -1.962 0.000 -1.569) 2.512 14.461 ( -1.962 0.000 1.569) 2.512 15.059 ( -4.790 0.000 -0.751) 4.849 15.059 ( -4.790 0.000 0.751) 4.849 15.343 ( 0.502 0.000 -1.903) 1.968 15.343 ( 0.502 0.000 1.903) 1.968 15.542 ( -1.734 0.000 -1.783) 2.487 15.542 ( -1.734 0.000 1.783) 2.487 15.884 ( 2.574 0.000 -0.629) 2.650 15.884 ( 2.574 0.000 0.629) 2.650 18.798 ( 0.918 0.000 -2.135) 2.324 18.798 ( 0.918 0.000 2.135) 2.324 19.280 ( -0.879 0.000 -3.076) 3.199 19.280 ( -0.879 0.000 3.076) 3.199 26.855 ( -3.147 0.000 -1.968) 3.712 26.855 ( -3.147 0.000 1.968) 3.712 27.237 ( 1.259 0.000 -3.575) 3.791 27.237 ( 1.259 0.000 3.575) 3.791 28.363 ( 7.424 0.000 -4.778) 8.828 28.363 ( 7.424 0.000 4.778) 8.828 28.679 ( -4.749 0.000 -3.899) 6.144 28.679 ( -4.749 0.000 3.899) 6.144 31.114 ( 3.962 0.000 -1.149) 4.125 31.114 ( 3.962 0.000 1.149) 4.125 32.707 ( 0.025 0.000 -1.881) 1.881 32.707 ( 0.025 0.000 1.881) 1.881 33.038 ( -0.064 0.000 -1.466) 1.467 33.038 ( -0.064 0.000 1.466) 1.467 33.076 ( -3.546 0.000 -2.910) 4.587 33.076 ( -3.546 0.000 2.910) 4.587 ======================= Grid point 251 (84/96) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 0.000 0.000 0.000) 0.000 1.767 ( 0.000 0.000 0.000) 0.000 2.195 ( -0.000 0.000 0.000) 0.000 2.195 ( -0.000 0.000 0.000) 0.000 2.705 ( 0.000 0.000 0.000) 0.000 2.705 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 4.465 ( -0.000 0.000 0.000) 0.000 4.465 ( -0.000 0.000 0.000) 0.000 4.520 ( 0.000 0.000 -0.000) 0.000 4.520 ( 0.000 0.000 0.000) 0.000 4.801 ( -0.000 0.000 0.000) 0.000 4.801 ( 0.000 0.000 0.000) 0.000 4.984 ( 0.000 0.000 0.000) 0.000 4.984 ( 0.000 0.000 0.000) 0.000 5.424 ( 0.000 0.000 0.000) 0.000 5.424 ( -0.000 0.000 0.000) 0.000 5.435 ( -0.000 0.000 -0.000) 0.000 5.435 ( 0.000 0.000 0.000) 0.000 6.444 ( 0.000 0.000 -0.000) 0.000 6.444 ( 0.000 0.000 0.000) 0.000 6.576 ( -0.000 0.000 0.000) 0.000 6.576 ( -0.000 0.000 0.000) 0.000 7.243 ( 0.000 0.000 0.000) 0.000 7.243 ( 0.000 0.000 0.000) 0.000 7.422 ( 0.000 0.000 0.000) 0.000 7.422 ( 0.000 0.000 0.000) 0.000 7.934 ( -0.000 0.000 -0.000) 0.000 7.934 ( 0.000 0.000 0.000) 0.000 9.000 ( 0.000 0.000 0.000) 0.000 9.000 ( 0.000 0.000 0.000) 0.000 9.029 ( 0.000 0.000 0.000) 0.000 9.029 ( 0.000 0.000 0.000) 0.000 10.804 ( 0.000 0.000 0.000) 0.000 10.804 ( 0.000 0.000 0.000) 0.000 12.592 ( 0.000 0.000 0.000) 0.000 12.592 ( 0.000 0.000 0.000) 0.000 13.550 ( -0.000 0.000 0.000) 0.000 13.550 ( 0.000 0.000 0.000) 0.000 14.096 ( 0.000 0.000 0.000) 0.000 14.096 ( 0.000 0.000 0.000) 0.000 14.440 ( -0.000 0.000 0.000) 0.000 14.440 ( 0.000 0.000 0.000) 0.000 15.010 ( -0.000 0.000 0.000) 0.000 15.010 ( 0.000 0.000 0.000) 0.000 15.352 ( 0.000 0.000 0.000) 0.000 15.352 ( 0.000 0.000 0.000) 0.000 15.522 ( -0.000 0.000 -0.000) 0.000 15.522 ( 0.000 0.000 0.000) 0.000 15.909 ( -0.000 0.000 0.000) 0.000 15.909 ( 0.000 0.000 0.000) 0.000 18.808 ( 0.000 0.000 0.000) 0.000 18.808 ( 0.000 0.000 0.000) 0.000 19.271 ( 0.000 0.000 0.000) 0.000 19.271 ( 0.000 0.000 0.000) 0.000 26.823 ( -0.000 0.000 0.000) 0.000 26.823 ( 0.000 0.000 0.000) 0.000 27.251 ( 0.000 0.000 0.000) 0.000 27.251 ( 0.000 0.000 0.000) 0.000 28.453 ( 0.000 0.000 0.000) 0.000 28.453 ( 0.000 0.000 0.000) 0.000 28.616 ( -0.000 0.000 0.000) 0.000 28.616 ( -0.000 0.000 0.000) 0.000 31.155 ( 0.000 0.000 0.000) 0.000 31.155 ( 0.000 0.000 0.000) 0.000 32.707 ( 0.000 0.000 0.000) 0.000 32.707 ( 0.000 0.000 0.000) 0.000 33.038 ( 0.000 0.000 0.000) 0.000 33.038 ( 0.000 0.000 0.000) 0.000 33.039 ( 0.000 0.000 0.000) 0.000 33.039 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 259 (85/96) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 0.000 5.175 -0.227) 5.180 1.924 ( 0.000 5.175 0.227) 5.180 2.616 ( 0.000 9.662 -0.996) 9.713 2.616 ( 0.000 9.662 0.996) 9.713 2.919 ( 0.000 -2.584 -14.666) 14.892 2.919 ( 0.000 -2.584 14.666) 14.892 3.492 ( 0.000 7.178 -4.873) 8.676 3.492 ( 0.000 7.178 4.873) 8.676 4.048 ( 0.000 -0.147 -2.707) 2.711 4.048 ( 0.000 -0.147 2.707) 2.711 4.417 ( 0.000 1.115 -3.578) 3.748 4.417 ( 0.000 1.115 3.578) 3.748 4.680 ( 0.000 -2.675 -9.111) 9.496 4.680 ( 0.000 -2.675 9.111) 9.496 4.904 ( 0.000 -0.156 -0.076) 0.174 4.904 ( 0.000 -0.156 0.076) 0.174 5.629 ( 0.000 -14.748 -0.267) 14.750 5.629 ( 0.000 -14.748 0.267) 14.750 5.831 ( 0.000 -10.066 -7.714) 12.681 5.831 ( 0.000 -10.066 7.714) 12.681 6.320 ( 0.000 12.072 -11.399) 16.604 6.320 ( 0.000 12.072 11.399) 16.604 6.712 ( 0.000 0.669 -4.114) 4.169 6.712 ( 0.000 0.669 4.114) 4.169 6.988 ( 0.000 -3.789 -0.176) 3.793 6.988 ( 0.000 -3.789 0.176) 3.793 7.247 ( 0.000 5.779 -3.439) 6.725 7.247 ( 0.000 5.779 3.439) 6.725 7.888 ( 0.000 -0.387 -13.346) 13.351 7.888 ( 0.000 -0.387 13.346) 13.351 8.712 ( 0.000 -14.027 -12.669) 18.901 8.712 ( 0.000 -14.027 12.669) 18.901 9.507 ( 0.000 14.284 -1.278) 14.341 9.507 ( 0.000 14.284 1.278) 14.341 10.606 ( 0.000 -4.675 -9.141) 10.267 10.606 ( 0.000 -4.675 9.141) 10.267 12.638 ( 0.000 3.076 -5.146) 5.995 12.638 ( 0.000 3.076 5.146) 5.995 13.480 ( 0.000 -4.156 -0.255) 4.164 13.480 ( 0.000 -4.156 0.255) 4.164 14.087 ( 0.000 4.164 -0.976) 4.277 14.087 ( 0.000 4.164 0.976) 4.277 14.520 ( 0.000 0.418 -2.226) 2.265 14.520 ( 0.000 0.418 2.226) 2.265 15.199 ( 0.000 1.138 -0.539) 1.259 15.199 ( 0.000 1.138 0.539) 1.259 15.376 ( 0.000 -1.836 -2.748) 3.305 15.376 ( 0.000 -1.836 2.748) 3.305 15.561 ( 0.000 -0.397 -1.516) 1.568 15.561 ( 0.000 -0.397 1.516) 1.568 15.750 ( 0.000 -3.089 -1.296) 3.350 15.750 ( 0.000 -3.089 1.296) 3.350 18.809 ( 0.000 3.424 -2.476) 4.226 18.809 ( 0.000 3.424 2.476) 4.226 19.290 ( 0.000 -1.577 -5.358) 5.586 19.290 ( 0.000 -1.577 5.358) 5.586 26.939 ( 0.000 -1.216 -0.045) 1.217 26.939 ( 0.000 -1.216 0.045) 1.217 27.210 ( 0.000 -0.392 -6.347) 6.359 27.210 ( 0.000 -0.392 6.347) 6.359 28.150 ( 0.000 -0.521 -3.237) 3.279 28.150 ( 0.000 -0.521 3.237) 3.279 28.802 ( 0.000 1.179 -0.884) 1.474 28.802 ( 0.000 1.179 0.884) 1.474 31.019 ( 0.000 2.521 -1.341) 2.855 31.019 ( 0.000 2.521 1.341) 2.855 32.616 ( 0.000 -15.315 -5.916) 16.418 32.616 ( 0.000 -15.315 5.916) 16.418 32.880 ( 0.000 0.681 -2.673) 2.759 32.880 ( 0.000 0.681 2.673) 2.759 33.378 ( 0.000 9.444 -1.999) 9.653 33.378 ( 0.000 9.444 1.999) 9.653 ======================= Grid point 261 (86/96) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -0.940 6.538 -0.785) 6.651 1.913 ( -0.940 6.538 0.785) 6.651 2.613 ( -4.503 2.697 -10.422) 11.669 2.613 ( -4.503 2.697 10.422) 11.669 2.767 ( -9.494 6.792 -9.972) 15.353 2.767 ( -9.494 6.792 9.972) 15.353 3.479 ( 0.072 4.706 -2.254) 5.218 3.479 ( 0.072 4.706 2.254) 5.218 4.153 ( 7.391 -4.786 -1.331) 8.905 4.153 ( 7.391 -4.786 1.331) 8.905 4.493 ( 6.985 1.691 -1.407) 7.324 4.493 ( 6.985 1.691 1.407) 7.324 4.710 ( 2.981 -1.294 -7.167) 7.869 4.710 ( 2.981 -1.294 7.167) 7.869 4.912 ( 1.047 0.249 -0.812) 1.349 4.912 ( 1.047 0.249 0.812) 1.349 5.409 ( -14.533 -15.261 -1.680) 21.140 5.409 ( -14.533 -15.261 1.680) 21.140 5.943 ( 1.686 0.794 -3.171) 3.678 5.943 ( 1.686 0.794 3.171) 3.678 6.232 ( -3.695 4.248 -11.912) 13.176 6.232 ( -3.695 4.248 11.912) 13.176 6.813 ( 6.992 -3.514 -5.707) 9.686 6.813 ( 6.992 -3.514 5.707) 9.686 6.960 ( -3.709 0.472 -5.005) 6.247 6.960 ( -3.709 0.472 5.005) 6.247 7.251 ( 3.396 3.370 -4.744) 6.737 7.251 ( 3.396 3.370 4.744) 6.737 7.950 ( 4.306 -0.051 -11.383) 12.171 7.950 ( 4.306 -0.051 11.383) 12.171 8.729 ( 2.049 -12.984 -11.168) 17.248 8.729 ( 2.049 -12.984 11.168) 17.248 9.442 ( -6.188 14.290 -3.636) 15.991 9.442 ( -6.188 14.290 3.636) 15.991 10.640 ( 3.113 -5.344 -7.944) 10.068 10.640 ( 3.113 -5.344 7.944) 10.068 12.639 ( 0.152 3.482 -4.593) 5.766 12.639 ( 0.152 3.482 4.593) 5.766 13.478 ( -0.186 -4.723 -0.527) 4.756 13.478 ( -0.186 -4.723 0.527) 4.756 14.104 ( 1.659 4.478 -1.199) 4.924 14.104 ( 1.659 4.478 1.199) 4.924 14.503 ( -1.750 0.366 -2.174) 2.815 14.503 ( -1.750 0.366 2.174) 2.815 15.170 ( -3.371 1.626 -1.324) 3.969 15.170 ( -3.371 1.626 1.324) 3.969 15.346 ( -1.725 -0.883 -1.384) 2.382 15.346 ( -1.725 -0.883 1.384) 2.382 15.556 ( -0.906 -1.036 -1.008) 1.706 15.556 ( -0.906 -1.036 1.008) 1.706 15.782 ( 2.820 -3.700 -0.856) 4.730 15.782 ( 2.820 -3.700 0.856) 4.730 18.817 ( 0.830 3.400 -2.265) 4.169 18.817 ( 0.830 3.400 2.265) 4.169 19.282 ( -0.720 -1.484 -4.767) 5.044 19.282 ( -0.720 -1.484 4.767) 5.044 26.916 ( -2.397 -0.445 -1.960) 3.128 26.916 ( -2.397 -0.445 1.960) 3.128 27.205 ( -0.093 -1.068 -5.657) 5.758 27.205 ( -0.093 -1.068 5.657) 5.758 28.220 ( 6.750 -0.368 -3.616) 7.666 28.220 ( 6.750 -0.368 3.616) 7.666 28.770 ( -3.272 1.180 -1.964) 3.994 28.770 ( -3.272 1.180 1.964) 3.994 31.052 ( 3.232 1.996 -1.287) 4.011 31.052 ( 3.232 1.996 1.287) 4.011 32.616 ( 0.001 -16.597 -5.473) 17.476 32.616 ( 0.001 -16.597 5.473) 17.476 32.864 ( -1.680 2.033 -3.108) 4.076 32.864 ( -1.680 2.033 3.108) 4.076 33.364 ( -1.332 9.677 -1.575) 9.894 33.364 ( -1.332 9.677 1.575) 9.894 ======================= Grid point 263 (87/96) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 0.199 9.507 -1.407) 9.612 1.903 ( 0.199 9.507 1.407) 9.613 2.366 ( -14.390 1.409 -13.965) 20.102 2.366 ( -14.390 1.409 13.965) 20.102 2.750 ( 2.141 8.591 -3.889) 9.670 2.750 ( 2.141 8.591 3.889) 9.670 3.498 ( 1.398 1.661 -1.578) 2.684 3.498 ( 1.398 1.661 1.578) 2.684 4.267 ( 4.957 -9.140 -1.433) 10.496 4.267 ( 4.957 -9.140 1.433) 10.496 4.597 ( 2.657 1.359 -1.255) 3.237 4.597 ( 2.657 1.359 1.255) 3.237 4.749 ( 0.123 -2.277 -2.349) 3.273 4.749 ( 0.123 -2.277 2.349) 3.273 4.959 ( 4.051 2.549 -2.859) 5.575 4.959 ( 4.051 2.549 2.859) 5.575 5.202 ( -6.912 -13.253 -2.827) 15.213 5.202 ( -6.912 -13.253 2.827) 15.213 5.835 ( -8.456 12.640 -1.833) 15.318 5.835 ( -8.456 12.640 1.833) 15.318 6.290 ( 7.495 -2.758 -11.108) 13.681 6.290 ( 7.495 -2.758 11.108) 13.681 6.730 ( -11.120 -2.546 -4.424) 12.236 6.730 ( -11.120 -2.546 4.424) 12.236 7.063 ( 10.572 -2.753 -8.473) 13.825 7.063 ( 10.572 -2.753 8.473) 13.825 7.343 ( 3.880 -0.983 -3.796) 5.516 7.343 ( 3.880 -0.983 3.796) 5.516 7.990 ( 0.104 1.908 -8.249) 8.467 7.990 ( 0.104 1.908 8.249) 8.467 8.785 ( 3.192 -10.442 -5.818) 12.373 8.785 ( 3.192 -10.442 5.818) 12.373 9.318 ( -5.910 13.928 -3.316) 15.489 9.318 ( -5.910 13.928 3.316) 15.489 10.698 ( 2.600 -6.768 -4.609) 8.592 10.698 ( 2.600 -6.768 4.609) 8.592 12.642 ( 0.133 4.316 -2.814) 5.155 12.642 ( 0.133 4.316 2.814) 5.155 13.475 ( -0.110 -5.915 -0.558) 5.942 13.475 ( -0.110 -5.915 0.558) 5.942 14.141 ( 1.983 5.151 -1.123) 5.632 14.141 ( 1.983 5.151 1.123) 5.632 14.464 ( -2.010 0.287 -1.631) 2.604 14.464 ( -2.010 0.287 1.631) 2.604 15.089 ( -4.183 2.818 -0.660) 5.086 15.089 ( -4.183 2.818 0.660) 5.086 15.337 ( 0.422 -0.554 -1.620) 1.763 15.337 ( 0.422 -0.554 1.620) 1.763 15.529 ( -1.590 -1.147 -1.393) 2.405 15.529 ( -1.590 -1.147 1.393) 2.405 15.832 ( 2.096 -4.754 -0.345) 5.207 15.832 ( 2.096 -4.754 0.345) 5.207 18.835 ( 0.883 3.342 -1.470) 3.757 18.835 ( 0.883 3.342 1.470) 3.757 19.267 ( -0.778 -1.295 -2.921) 3.289 19.267 ( -0.778 -1.295 2.921) 3.289 26.864 ( -2.612 0.825 -1.966) 3.371 26.864 ( -2.612 0.825 1.966) 3.371 27.214 ( 0.759 -2.229 -3.371) 4.112 27.214 ( 0.759 -2.229 3.371) 4.112 28.367 ( 8.131 0.357 -4.361) 9.234 28.367 ( 8.131 0.357 4.361) 9.234 28.688 ( -5.251 0.815 -3.491) 6.358 28.688 ( -5.251 0.815 3.491) 6.358 31.120 ( 3.362 0.930 -0.868) 3.594 31.120 ( 3.362 0.930 0.868) 3.594 32.616 ( 0.005 -20.183 -3.725) 20.524 32.616 ( 0.005 -20.183 3.725) 20.524 32.826 ( -1.969 5.955 -2.767) 6.855 32.826 ( -1.969 5.955 2.767) 6.855 33.338 ( -1.229 9.992 -0.764) 10.096 33.338 ( -1.229 9.992 0.764) 10.096 ======================= Grid point 265 (88/96) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 0.000 11.980 0.000) 11.980 1.912 ( 0.000 11.980 0.000) 11.980 2.214 ( 0.000 1.713 0.000) 1.713 2.214 ( 0.000 1.713 0.000) 1.713 2.774 ( -0.000 6.924 0.000) 6.924 2.774 ( 0.000 6.924 0.000) 6.924 3.514 ( 0.000 0.332 0.000) 0.332 3.514 ( 0.000 0.332 0.000) 0.332 4.322 ( -0.000 -12.309 0.000) 12.309 4.322 ( 0.000 -12.309 0.000) 12.309 4.604 ( 0.000 5.663 0.000) 5.663 4.604 ( 0.000 5.663 0.000) 5.663 4.745 ( -0.000 -6.642 0.000) 6.642 4.745 ( 0.000 -6.642 0.000) 6.642 5.019 ( 0.000 4.802 0.000) 4.802 5.019 ( 0.000 4.802 0.000) 4.802 5.132 ( -0.000 -12.035 0.000) 12.035 5.132 ( 0.000 -12.035 0.000) 12.035 5.745 ( -0.000 13.685 0.000) 13.685 5.745 ( 0.000 13.685 0.000) 13.685 6.420 ( 0.000 -2.612 -0.000) 2.612 6.420 ( 0.000 -2.612 0.000) 2.612 6.565 ( -0.000 -1.229 0.000) 1.229 6.565 ( -0.000 -1.229 0.000) 1.229 7.192 ( -0.000 -4.123 0.000) 4.123 7.192 ( 0.000 -4.123 0.000) 4.123 7.364 ( -0.000 -4.881 0.000) 4.881 7.364 ( 0.000 -4.881 0.000) 4.881 7.986 ( -0.000 4.628 -0.000) 4.628 7.986 ( 0.000 4.628 0.000) 4.628 8.817 ( 0.000 -8.929 0.000) 8.929 8.817 ( 0.000 -8.929 0.000) 8.929 9.259 ( 0.000 13.285 0.000) 13.285 9.259 ( 0.000 13.285 0.000) 13.285 10.724 ( 0.000 -7.519 0.000) 7.519 10.724 ( 0.000 -7.519 0.000) 7.519 12.643 ( 0.000 4.744 0.000) 4.744 12.643 ( 0.000 4.744 0.000) 4.744 13.474 ( -0.000 -6.544 0.000) 6.544 13.474 ( 0.000 -6.544 0.000) 6.544 14.163 ( -0.000 5.538 0.000) 5.538 14.163 ( 0.000 5.538 0.000) 5.538 14.443 ( -0.000 0.234 0.000) 0.234 14.443 ( 0.000 0.234 0.000) 0.234 15.046 ( -0.000 3.377 0.000) 3.377 15.046 ( 0.000 3.377 0.000) 3.377 15.344 ( 0.000 -0.693 0.000) 0.693 15.344 ( 0.000 -0.693 0.000) 0.693 15.511 ( 0.000 -0.965 -0.000) 0.965 15.511 ( 0.000 -0.965 0.000) 0.965 15.852 ( -0.000 -5.193 0.000) 5.193 15.852 ( 0.000 -5.193 0.000) 5.193 18.844 ( 0.000 3.309 0.000) 3.309 18.844 ( 0.000 3.309 0.000) 3.309 19.259 ( 0.000 -1.199 0.000) 1.199 19.259 ( 0.000 -1.199 0.000) 1.199 26.837 ( 0.000 1.319 0.000) 1.319 26.837 ( 0.000 1.319 0.000) 1.319 27.223 ( -0.000 -2.702 0.000) 2.702 27.223 ( 0.000 -2.702 0.000) 2.702 28.471 ( 0.000 1.709 0.000) 1.709 28.471 ( 0.000 1.709 0.000) 1.709 28.612 ( -0.000 -0.338 0.000) 0.338 28.612 ( -0.000 -0.338 0.000) 0.338 31.155 ( 0.000 0.384 0.000) 0.384 31.155 ( 0.000 0.384 0.000) 0.384 32.616 ( -0.000 -22.803 0.000) 22.803 32.616 ( 0.000 -22.803 0.000) 22.803 32.805 ( 0.000 8.847 0.000) 8.847 32.805 ( 0.000 8.847 0.000) 8.847 33.326 ( -0.000 10.071 0.000) 10.071 33.326 ( 0.000 10.071 0.000) 10.071 ======================= Grid point 273 (89/96) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 0.000 8.553 -4.178) 9.519 2.071 ( 0.000 8.553 4.178) 9.519 2.798 ( 0.000 3.778 -12.213) 12.784 2.798 ( 0.000 3.778 12.213) 12.784 2.891 ( 0.000 1.666 -10.674) 10.803 2.891 ( 0.000 1.666 10.674) 10.803 3.642 ( 0.000 6.557 -5.477) 8.544 3.642 ( 0.000 6.557 5.477) 8.544 4.082 ( 0.000 4.569 -3.139) 5.543 4.082 ( 0.000 4.569 3.139) 5.543 4.423 ( 0.000 -1.590 -0.140) 1.597 4.423 ( 0.000 -1.590 0.140) 1.597 4.655 ( 0.000 1.342 -6.023) 6.170 4.655 ( 0.000 1.342 6.023) 6.170 4.909 ( 0.000 1.219 -2.785) 3.040 4.909 ( 0.000 1.219 2.785) 3.040 5.355 ( 0.000 -11.724 -1.596) 11.832 5.355 ( 0.000 -11.724 1.596) 11.832 5.546 ( 0.000 -16.433 -4.712) 17.096 5.546 ( 0.000 -16.433 4.712) 17.096 6.462 ( 0.000 1.302 -7.809) 7.917 6.462 ( 0.000 1.302 7.809) 7.917 6.791 ( 0.000 7.268 -3.005) 7.865 6.791 ( 0.000 7.268 3.005) 7.865 6.959 ( 0.000 0.671 -1.715) 1.842 6.959 ( 0.000 0.671 1.715) 1.842 7.325 ( 0.000 1.331 -3.540) 3.782 7.325 ( 0.000 1.331 3.540) 3.782 7.889 ( 0.000 1.013 -13.408) 13.446 7.889 ( 0.000 1.013 13.408) 13.446 8.422 ( 0.000 -13.372 -13.973) 19.341 8.422 ( 0.000 -13.372 13.973) 19.341 9.805 ( 0.000 14.012 -3.200) 14.373 9.805 ( 0.000 14.012 3.200) 14.373 10.477 ( 0.000 -7.579 -8.411) 11.322 10.477 ( 0.000 -7.579 8.411) 11.322 12.715 ( 0.000 3.982 -3.252) 5.141 12.715 ( 0.000 3.982 3.252) 5.141 13.386 ( 0.000 -4.474 -0.358) 4.488 13.386 ( 0.000 -4.474 0.358) 4.488 14.181 ( 0.000 4.314 -0.765) 4.382 14.181 ( 0.000 4.314 0.765) 4.382 14.528 ( 0.000 0.262 -1.982) 1.999 14.528 ( 0.000 0.262 1.982) 1.999 15.231 ( 0.000 1.831 -0.239) 1.846 15.231 ( 0.000 1.831 0.239) 1.846 15.328 ( 0.000 -2.478 -1.721) 3.017 15.328 ( 0.000 -2.478 1.721) 3.017 15.555 ( 0.000 -0.165 -0.669) 0.689 15.555 ( 0.000 -0.165 0.669) 0.689 15.672 ( 0.000 -4.079 -0.014) 4.080 15.672 ( 0.000 -4.079 0.014) 4.080 18.902 ( 0.000 5.278 -0.083) 5.279 18.902 ( 0.000 5.278 0.083) 5.279 19.240 ( 0.000 -3.233 -4.650) 5.664 19.240 ( 0.000 -3.233 4.650) 5.664 26.908 ( 0.000 -1.581 -0.266) 1.603 26.908 ( 0.000 -1.581 0.266) 1.603 27.201 ( 0.000 -0.396 -4.262) 4.280 27.201 ( 0.000 -0.396 4.262) 4.280 28.138 ( 0.000 -0.615 -2.165) 2.250 28.138 ( 0.000 -0.615 2.165) 2.250 28.833 ( 0.000 1.650 -0.396) 1.697 28.833 ( 0.000 1.650 0.396) 1.697 31.115 ( 0.000 7.098 -0.187) 7.100 31.115 ( 0.000 7.098 0.187) 7.100 32.192 ( 0.000 -22.394 -4.298) 22.803 32.192 ( 0.000 -22.394 4.298) 22.803 33.000 ( 0.000 7.559 -0.755) 7.596 33.000 ( 0.000 7.559 0.755) 7.596 33.518 ( 0.000 4.227 -1.266) 4.413 33.518 ( 0.000 4.227 1.266) 4.413 ======================= Grid point 275 (90/96) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 0.380 8.349 -4.042) 9.283 2.073 ( 0.380 8.349 4.042) 9.283 2.631 ( -12.349 -0.587 -13.172) 18.065 2.631 ( -12.349 -0.587 13.172) 18.065 2.976 ( 3.795 10.565 -8.973) 14.371 2.976 ( 3.795 10.565 8.973) 14.371 3.612 ( -2.100 7.576 -1.785) 8.062 3.612 ( -2.100 7.576 1.786) 8.062 4.048 ( -1.928 -3.391 -5.717) 6.921 4.048 ( -1.928 -3.391 5.717) 6.921 4.457 ( 2.118 -5.121 -2.738) 6.181 4.457 ( 2.118 -5.121 2.738) 6.181 4.727 ( 4.485 1.004 -0.941) 4.691 4.727 ( 4.485 1.004 0.941) 4.691 4.953 ( 5.162 5.194 -4.350) 8.517 4.953 ( 5.162 5.194 4.350) 8.517 5.125 ( -12.446 -11.667 -4.752) 17.709 5.125 ( -12.446 -11.667 4.752) 17.709 5.793 ( 15.037 -12.438 -6.103) 20.446 5.793 ( 15.037 -12.438 6.103) 20.446 6.352 ( -9.377 4.555 -6.030) 12.043 6.352 ( -9.377 4.555 6.030) 12.043 6.753 ( -3.149 -0.757 -1.852) 3.731 6.753 ( -3.149 -0.757 1.852) 3.731 7.002 ( 1.411 2.362 -4.065) 4.909 7.002 ( 1.411 2.362 4.065) 4.909 7.306 ( 0.054 1.756 -3.770) 4.159 7.306 ( 0.054 1.756 3.770) 4.159 7.957 ( 5.436 1.142 -11.054) 12.371 7.957 ( 5.436 1.142 11.054) 12.371 8.466 ( 4.814 -11.921 -12.201) 17.724 8.466 ( 4.814 -11.921 12.201) 17.724 9.745 ( -5.874 14.516 -4.012) 16.166 9.745 ( -5.874 14.516 4.012) 16.166 10.490 ( 1.135 -8.845 -7.273) 11.508 10.490 ( 1.135 -8.845 7.273) 11.508 12.728 ( 1.339 4.694 -3.031) 5.746 12.728 ( 1.339 4.694 3.031) 5.746 13.369 ( -1.680 -5.308 -0.589) 5.598 13.369 ( -1.680 -5.308 0.589) 5.598 14.204 ( 2.344 4.655 -0.901) 5.289 14.204 ( 2.344 4.655 0.901) 5.289 14.510 ( -1.838 0.213 -1.990) 2.718 14.510 ( -1.838 0.213 1.990) 2.718 15.215 ( -1.947 2.514 -0.837) 3.288 15.215 ( -1.947 2.514 0.837) 3.288 15.320 ( -0.415 -1.583 -0.827) 1.834 15.320 ( -0.415 -1.583 0.827) 1.834 15.535 ( -1.728 -0.685 -0.280) 1.880 15.535 ( -1.728 -0.685 0.280) 1.880 15.688 ( 1.283 -4.983 -0.444) 5.164 15.688 ( 1.283 -4.983 0.444) 5.164 18.909 ( 0.763 5.241 -0.342) 5.307 18.909 ( 0.763 5.241 0.342) 5.307 19.235 ( -0.479 -3.101 -4.130) 5.187 19.235 ( -0.479 -3.101 4.130) 5.187 26.905 ( -0.482 -0.594 -1.635) 1.805 26.905 ( -0.482 -0.594 1.635) 1.805 27.179 ( -1.848 -1.308 -4.054) 4.643 27.179 ( -1.848 -1.308 4.054) 4.643 28.211 ( 7.266 -0.374 -2.520) 7.700 28.211 ( 7.266 -0.374 2.520) 7.700 28.801 ( -3.346 1.656 -1.247) 3.936 28.801 ( -3.346 1.656 1.247) 3.936 31.134 ( 1.968 6.438 -0.394) 6.744 31.134 ( 1.968 6.438 0.394) 6.744 32.177 ( -1.457 -22.685 -3.736) 23.037 32.177 ( -1.457 -22.685 3.736) 23.037 33.007 ( 0.709 8.564 -0.888) 8.639 33.007 ( 0.709 8.564 0.888) 8.639 33.503 ( -1.549 3.872 -1.020) 4.293 33.503 ( -1.549 3.872 1.020) 4.293 ======================= Grid point 277 (91/96) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 2.271 7.834 -3.674) 8.946 2.095 ( 2.271 7.834 3.674) 8.946 2.396 ( -11.711 0.987 -9.908) 15.372 2.396 ( -11.711 0.987 9.908) 15.372 3.010 ( 0.398 15.586 -4.401) 16.200 3.010 ( 0.398 15.586 4.401) 16.200 3.592 ( -0.094 7.634 -1.678) 7.817 3.592 ( -0.094 7.634 1.678) 7.817 4.031 ( -0.163 -11.873 -3.252) 12.312 4.031 ( -0.163 -11.873 3.252) 12.312 4.489 ( 1.398 -10.863 -2.497) 11.233 4.489 ( 1.398 -10.863 2.497) 11.233 4.720 ( -4.276 -1.888 -3.491) 5.834 4.720 ( -4.276 -1.888 3.491) 5.834 4.948 ( -2.355 -8.240 -1.665) 8.730 4.948 ( -2.355 -8.240 1.665) 8.730 5.140 ( 8.309 11.721 -7.219) 16.079 5.140 ( 8.309 11.721 7.219) 16.079 5.980 ( 2.225 -1.587 -0.870) 2.868 5.980 ( 2.225 -1.587 0.870) 2.868 6.238 ( 1.402 0.331 -7.113) 7.258 6.238 ( 1.402 0.331 7.113) 7.258 6.646 ( -8.467 -4.736 -3.139) 10.197 6.646 ( -8.467 -4.736 3.139) 10.197 7.040 ( 4.406 0.195 -5.003) 6.670 7.040 ( 4.406 0.195 5.003) 6.670 7.307 ( -1.869 -2.058 -2.943) 4.049 7.307 ( -1.869 -2.058 2.943) 4.049 8.054 ( 4.763 4.375 -6.862) 9.429 8.054 ( 4.763 4.375 6.862) 9.429 8.577 ( 5.648 -9.659 -6.725) 13.054 8.577 ( 5.648 -9.659 6.725) 13.054 9.622 ( -6.062 15.333 -3.449) 16.845 9.622 ( -6.062 15.333 3.449) 16.845 10.507 ( 0.566 -11.328 -4.247) 12.111 10.507 ( 0.566 -11.328 4.247) 12.111 12.758 ( 1.512 6.448 -2.046) 6.932 12.758 ( 1.512 6.448 2.046) 6.932 13.332 ( -1.854 -7.350 -0.655) 7.608 13.332 ( -1.854 -7.350 0.655) 7.608 14.256 ( 2.755 5.352 -0.894) 6.085 14.256 ( 2.755 5.352 0.894) 6.085 14.470 ( -2.107 0.139 -1.600) 2.649 14.470 ( -2.107 0.139 1.600) 2.649 15.166 ( -2.616 4.293 -0.440) 5.047 15.166 ( -2.616 4.293 0.440) 5.047 15.321 ( 0.361 -1.009 -0.945) 1.429 15.321 ( 0.361 -1.009 0.945) 1.429 15.503 ( -1.463 -1.074 -0.587) 1.907 15.503 ( -1.463 -1.074 0.587) 1.907 15.709 ( 0.810 -6.649 -0.333) 6.707 15.709 ( 0.810 -6.649 0.333) 6.707 18.925 ( 0.809 5.172 -0.394) 5.250 18.925 ( 0.809 5.172 0.394) 5.250 19.225 ( -0.539 -2.847 -2.527) 3.845 19.225 ( -0.539 -2.847 2.527) 3.845 26.890 ( -0.956 1.654 -1.884) 2.683 26.890 ( -0.956 1.654 1.884) 2.683 27.152 ( -0.823 -3.455 -2.790) 4.516 27.152 ( -0.823 -3.455 2.790) 4.516 28.376 ( 9.565 0.481 -3.070) 10.057 28.376 ( 9.565 0.481 3.070) 10.057 28.711 ( -6.190 1.323 -2.365) 6.757 28.711 ( -6.190 1.323 2.365) 6.757 31.176 ( 2.090 5.132 -0.386) 5.555 31.176 ( 2.090 5.132 0.386) 5.555 32.146 ( -1.600 -23.243 -2.180) 23.400 32.146 ( -1.600 -23.243 2.180) 23.400 33.023 ( 0.830 10.814 -0.745) 10.871 33.023 ( 0.830 10.814 0.745) 10.871 33.470 ( -1.666 2.908 -0.500) 3.388 33.470 ( -1.666 2.908 0.500) 3.388 ======================= Grid point 279 (92/96) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -0.000 8.219 0.000) 8.219 2.142 ( 0.000 8.219 0.000) 8.219 2.254 ( 0.000 1.766 0.000) 1.766 2.254 ( 0.000 1.766 0.000) 1.766 3.011 ( 0.000 16.171 0.000) 16.171 3.011 ( 0.000 16.171 0.000) 16.171 3.594 ( -0.000 7.842 0.000) 7.842 3.594 ( 0.000 7.842 0.000) 7.842 4.031 ( 0.000 -14.625 0.000) 14.625 4.031 ( 0.000 -14.625 0.000) 14.625 4.505 ( -0.000 -15.704 0.000) 15.704 4.505 ( 0.000 -15.704 0.000) 15.704 4.664 ( -0.000 0.417 0.000) 0.417 4.664 ( 0.000 0.417 0.000) 0.417 4.935 ( -0.000 -8.005 0.000) 8.005 4.935 ( 0.000 -8.005 0.000) 8.005 5.229 ( -0.000 14.837 0.000) 14.837 5.229 ( 0.000 14.837 0.000) 14.837 5.959 ( 0.000 5.954 0.000) 5.954 5.959 ( 0.000 5.954 0.000) 5.954 6.327 ( 0.000 -5.701 0.000) 5.701 6.327 ( 0.000 -5.701 0.000) 5.701 6.516 ( -0.000 -3.648 0.000) 3.648 6.516 ( 0.000 -3.648 0.000) 3.648 7.120 ( 0.000 -1.950 0.000) 1.950 7.120 ( 0.000 -1.950 0.000) 1.950 7.254 ( -0.000 -5.149 0.000) 5.149 7.254 ( 0.000 -5.149 0.000) 5.149 8.108 ( -0.000 6.991 -0.000) 6.991 8.108 ( 0.000 6.991 0.000) 6.991 8.634 ( 0.000 -8.942 0.000) 8.942 8.634 ( 0.000 -8.942 0.000) 8.942 9.559 ( -0.000 15.629 0.000) 15.629 9.559 ( 0.000 15.629 0.000) 15.629 10.512 ( 0.000 -12.571 0.000) 12.571 10.512 ( 0.000 -12.571 0.000) 12.571 12.774 ( 0.000 7.559 0.000) 7.559 12.774 ( 0.000 7.559 0.000) 7.559 13.313 ( -0.000 -8.628 0.000) 8.628 13.313 ( 0.000 -8.628 0.000) 8.628 14.286 ( -0.000 5.823 0.000) 5.823 14.286 ( 0.000 5.823 0.000) 5.823 14.446 ( -0.000 -0.009 0.000) 0.009 14.446 ( 0.000 -0.009 0.000) 0.009 15.139 ( 0.000 5.223 0.000) 5.223 15.139 ( 0.000 5.223 0.000) 5.223 15.325 ( 0.000 -1.092 0.000) 1.092 15.325 ( 0.000 -1.092 0.000) 1.092 15.488 ( 0.000 -1.016 -0.000) 1.016 15.488 ( 0.000 -1.016 0.000) 1.016 15.716 ( -0.000 -7.403 0.000) 7.403 15.716 ( 0.000 -7.403 0.000) 7.403 18.934 ( 0.000 5.141 0.000) 5.141 18.934 ( 0.000 5.141 0.000) 5.141 19.219 ( 0.000 -2.727 0.000) 2.727 19.219 ( 0.000 -2.727 0.000) 2.727 26.879 ( 0.000 2.756 0.000) 2.756 26.879 ( 0.000 2.756 0.000) 2.756 27.146 ( -0.000 -4.527 0.000) 4.527 27.146 ( 0.000 -4.527 0.000) 4.527 28.517 ( 0.000 2.461 0.000) 2.461 28.517 ( 0.000 2.461 0.000) 2.461 28.604 ( -0.000 -0.384 -0.000) 0.384 28.604 ( -0.000 -0.384 0.000) 0.384 31.198 ( 0.000 4.488 0.000) 4.488 31.198 ( 0.000 4.488 0.000) 4.488 32.129 ( -0.000 -23.512 0.000) 23.512 32.129 ( 0.000 -23.512 0.000) 23.512 33.032 ( 0.000 12.104 0.000) 12.104 33.032 ( 0.000 12.104 0.000) 12.104 33.452 ( -0.000 2.252 0.000) 2.252 33.452 ( 0.000 2.252 0.000) 2.252 ======================= Grid point 287 (93/96) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 0.000 6.054 -3.785) 7.140 2.239 ( 0.000 6.054 3.785) 7.140 2.765 ( 0.000 -3.055 -0.415) 3.083 2.765 ( 0.000 -3.055 0.415) 3.083 2.949 ( 0.000 1.488 -2.765) 3.140 2.949 ( 0.000 1.488 2.765) 3.140 3.739 ( 0.000 2.459 -1.898) 3.107 3.739 ( 0.000 2.459 1.898) 3.107 4.232 ( 0.000 7.281 -2.243) 7.619 4.232 ( 0.000 7.281 2.243) 7.619 4.378 ( 0.000 -1.473 -0.920) 1.737 4.378 ( 0.000 -1.473 0.920) 1.737 4.695 ( 0.000 1.204 -0.859) 1.479 4.695 ( 0.000 1.204 0.859) 1.479 4.988 ( 0.000 6.470 -5.177) 8.286 4.988 ( 0.000 6.470 5.177) 8.286 5.140 ( 0.000 -8.160 -3.014) 8.699 5.140 ( 0.000 -8.160 3.014) 8.699 5.226 ( 0.000 -12.455 -1.187) 12.511 5.226 ( 0.000 -12.455 1.187) 12.511 6.448 ( 0.000 -0.985 -2.226) 2.434 6.448 ( 0.000 -0.985 2.226) 2.434 6.919 ( 0.000 2.838 -0.215) 2.846 6.919 ( 0.000 2.838 0.215) 2.846 7.014 ( 0.000 4.264 -2.950) 5.185 7.014 ( 0.000 4.264 2.950) 5.185 7.301 ( 0.000 -2.647 -2.857) 3.895 7.301 ( 0.000 -2.647 2.857) 3.895 7.945 ( 0.000 3.858 -10.585) 11.266 7.945 ( 0.000 3.858 10.585) 11.266 8.186 ( 0.000 -8.459 -11.221) 14.052 8.186 ( 0.000 -8.459 11.221) 14.052 10.072 ( 0.000 11.586 -5.196) 12.698 10.072 ( 0.000 11.586 5.196) 12.698 10.300 ( 0.000 -9.332 -6.979) 11.653 10.300 ( 0.000 -9.332 6.979) 11.653 12.781 ( 0.000 1.938 -1.078) 2.218 12.781 ( 0.000 1.938 1.078) 2.218 13.315 ( 0.000 -1.996 -0.170) 2.003 13.315 ( 0.000 -1.996 0.170) 2.003 14.247 ( 0.000 1.818 -0.349) 1.851 14.247 ( 0.000 1.818 0.349) 1.851 14.530 ( 0.000 -0.034 -0.886) 0.887 14.530 ( 0.000 -0.034 0.886) 0.887 15.262 ( 0.000 0.722 -0.221) 0.755 15.262 ( 0.000 0.722 0.221) 0.755 15.291 ( 0.000 -0.699 -0.729) 1.010 15.291 ( 0.000 -0.699 0.729) 1.010 15.555 ( 0.000 0.096 -0.496) 0.506 15.555 ( 0.000 0.096 0.497) 0.506 15.602 ( 0.000 -2.186 -0.590) 2.264 15.602 ( 0.000 -2.186 0.590) 2.264 19.010 ( 0.000 4.523 -1.659) 4.817 19.010 ( 0.000 4.523 1.659) 4.817 19.163 ( 0.000 -3.693 -3.070) 4.802 19.163 ( 0.000 -3.693 3.070) 4.802 26.883 ( 0.000 -0.718 -0.161) 0.736 26.883 ( 0.000 -0.718 0.161) 0.736 27.195 ( 0.000 -0.151 -1.482) 1.489 27.195 ( 0.000 -0.151 1.482) 1.489 28.128 ( 0.000 -0.261 -0.752) 0.796 28.128 ( 0.000 -0.261 0.752) 0.796 28.860 ( 0.000 0.794 -0.082) 0.798 28.860 ( 0.000 0.794 0.082) 0.798 31.312 ( 0.000 10.965 -1.580) 11.078 31.312 ( 0.000 10.965 1.580) 11.078 31.763 ( 0.000 -17.096 -3.038) 17.364 31.763 ( 0.000 -17.096 3.038) 17.364 33.127 ( 0.000 3.717 -0.124) 3.719 33.127 ( 0.000 3.717 0.124) 3.719 33.565 ( 0.000 0.790 -0.504) 0.937 33.565 ( 0.000 0.790 0.504) 0.937 ======================= Grid point 289 (94/96) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -1.008 5.403 -3.643) 6.594 2.228 ( -1.008 5.403 3.643) 6.594 2.596 ( -11.725 -2.114 -5.767) 13.236 2.596 ( -11.725 -2.114 5.767) 13.236 3.119 ( 11.626 3.037 -5.681) 13.292 3.119 ( 11.626 3.037 5.681) 13.292 3.731 ( -0.554 2.632 -2.816) 3.894 3.731 ( -0.554 2.632 2.816) 3.894 4.092 ( -11.463 6.893 -8.431) 15.811 4.092 ( -11.463 6.893 8.431) 15.811 4.339 ( -4.490 -5.535 -1.761) 7.342 4.339 ( -4.490 -5.535 1.761) 7.342 4.689 ( -0.414 -3.371 -2.267) 4.083 4.689 ( -0.414 -3.371 2.267) 4.083 4.915 ( -9.857 -5.070 -1.925) 11.250 4.915 ( -9.857 -5.070 1.925) 11.250 5.168 ( 14.661 11.196 -6.912) 19.699 5.168 ( 14.661 11.196 6.912) 19.699 5.511 ( 17.025 -13.148 -5.914) 22.309 5.511 ( 17.025 -13.148 5.914) 22.309 6.394 ( -5.132 0.370 -2.026) 5.530 6.394 ( -5.132 0.370 2.026) 5.530 6.781 ( -10.786 2.002 -0.425) 10.978 6.781 ( -10.786 2.002 0.425) 10.978 7.028 ( -0.260 0.129 -1.264) 1.297 7.028 ( -0.260 0.129 1.264) 1.297 7.328 ( 0.879 0.537 -1.804) 2.077 7.328 ( 0.879 0.537 1.804) 2.077 8.006 ( 6.370 3.004 -8.168) 10.785 8.006 ( 6.370 3.004 8.168) 10.785 8.259 ( 7.087 -7.147 -9.036) 13.526 8.259 ( 7.087 -7.147 9.036) 13.526 10.030 ( -4.139 12.976 -5.034) 14.521 10.030 ( -4.139 12.976 5.034) 14.521 10.283 ( -1.735 -11.024 -6.213) 12.773 10.283 ( -1.735 -11.024 6.213) 12.773 12.809 ( 2.918 2.466 -1.083) 3.971 12.809 ( 2.918 2.466 1.083) 3.971 13.281 ( -3.446 -2.571 -0.325) 4.312 13.281 ( -3.446 -2.571 0.325) 4.312 14.277 ( 2.908 2.002 -0.407) 3.554 14.277 ( 2.908 2.002 0.407) 3.554 14.511 ( -1.913 -0.070 -0.920) 2.124 14.511 ( -1.913 -0.070 0.920) 2.124 15.262 ( -0.344 1.714 -0.506) 1.820 15.262 ( -0.344 1.714 0.506) 1.820 15.290 ( 0.137 -1.130 -0.421) 1.214 15.290 ( 0.137 -1.130 0.421) 1.214 15.536 ( -1.745 0.819 -0.522) 1.997 15.536 ( -1.745 0.819 0.522) 1.997 15.596 ( -0.676 -3.437 -0.549) 3.545 15.596 ( -0.676 -3.437 0.549) 3.545 19.018 ( 0.767 4.605 -1.542) 4.917 19.018 ( 0.767 4.605 1.542) 4.917 19.160 ( -0.332 -3.730 -2.793) 4.671 19.160 ( -0.332 -3.730 2.793) 4.671 26.895 ( 1.253 -0.279 -0.671) 1.449 26.895 ( 1.253 -0.279 0.671) 1.449 27.158 ( -3.500 -0.572 -1.492) 3.847 27.158 ( -3.500 -0.572 1.492) 3.847 28.206 ( 7.727 -0.135 -0.902) 7.781 28.206 ( 7.727 -0.135 0.902) 7.781 28.829 ( -3.383 0.799 -0.421) 3.501 28.829 ( -3.383 0.799 0.421) 3.501 31.322 ( 1.050 10.915 -1.430) 11.058 31.322 ( 1.050 10.915 1.430) 11.058 31.744 ( -1.840 -17.386 -2.701) 17.690 31.744 ( -1.840 -17.386 2.701) 17.690 33.153 ( 2.623 4.345 -0.192) 5.079 33.153 ( 2.623 4.345 0.192) 5.079 33.540 ( -2.641 0.358 -0.409) 2.696 33.540 ( -2.641 0.358 0.409) 2.696 ======================= Grid point 291 (95/96) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 0.221 3.675 -3.023) 4.763 2.216 ( 0.221 3.675 3.023) 4.763 2.393 ( -9.434 -0.934 -4.369) 10.439 2.393 ( -9.434 -0.934 4.369) 10.439 3.310 ( 8.014 10.612 -3.757) 13.819 3.310 ( 8.014 10.612 3.757) 13.819 3.732 ( 0.627 -0.525 -8.053) 8.095 3.732 ( 0.627 -0.525 8.053) 8.095 3.897 ( -8.171 4.993 -12.928) 16.088 3.897 ( -8.171 4.993 12.928) 16.088 4.225 ( -6.558 -12.885 -3.179) 14.803 4.225 ( -6.558 -12.885 3.179) 14.803 4.682 ( -0.292 -0.895 -2.877) 3.027 4.682 ( -0.292 -0.895 2.877) 3.027 4.801 ( -2.913 -4.850 -1.955) 5.986 4.801 ( -2.913 -4.850 1.955) 5.986 5.440 ( 12.559 15.262 -6.373) 20.767 5.440 ( 12.559 15.262 6.373) 20.767 5.787 ( 11.448 -13.488 -5.343) 18.481 5.787 ( 11.448 -13.488 5.343) 18.481 6.301 ( -3.374 2.934 -1.485) 4.712 6.301 ( -3.374 2.934 1.485) 4.712 6.568 ( -11.421 -2.349 -1.835) 11.804 6.568 ( -11.421 -2.349 1.835) 11.804 7.042 ( 2.733 -0.182 -1.502) 3.124 7.042 ( 2.733 -0.182 1.502) 3.124 7.279 ( -5.887 -0.508 -1.310) 6.052 7.279 ( -5.887 -0.508 1.310) 6.052 8.163 ( 9.140 5.372 -5.469) 11.929 8.163 ( 9.140 5.372 5.469) 11.929 8.395 ( 5.916 -7.138 -5.775) 10.923 8.395 ( 5.916 -7.138 5.775) 10.923 9.941 ( -4.607 15.276 -3.619) 16.361 9.941 ( -4.607 15.276 3.619) 16.361 10.244 ( -2.123 -13.942 -3.865) 14.623 10.244 ( -2.123 -13.942 3.865) 14.623 12.883 ( 4.632 4.644 -0.962) 6.630 12.883 ( 4.632 4.644 0.962) 6.630 13.196 ( -5.211 -4.867 -0.529) 7.150 13.196 ( -5.211 -4.867 0.529) 7.150 14.341 ( 3.535 2.446 -0.497) 4.327 14.341 ( 3.535 2.446 0.497) 4.327 14.468 ( -2.392 -0.220 -0.862) 2.552 14.468 ( -2.392 -0.220 0.862) 2.552 15.249 ( -0.722 3.260 -0.264) 3.349 15.249 ( -0.722 3.260 0.264) 3.349 15.296 ( 0.339 -1.403 -0.372) 1.491 15.296 ( 0.339 -1.403 0.372) 1.491 15.503 ( -1.487 1.464 -0.347) 2.115 15.503 ( -1.487 1.464 0.347) 2.115 15.580 ( -0.846 -5.279 -0.397) 5.362 15.580 ( -0.846 -5.279 0.397) 5.362 19.035 ( 0.905 4.960 -1.099) 5.160 19.035 ( 0.905 4.960 1.099) 5.160 19.151 ( -0.488 -3.996 -1.854) 4.432 19.151 ( -0.488 -3.996 1.854) 4.432 26.926 ( 1.898 1.445 -1.149) 2.648 26.926 ( 1.898 1.445 1.149) 2.648 27.087 ( -3.622 -2.262 -1.454) 4.511 27.087 ( -3.622 -2.262 1.454) 4.511 28.384 ( 10.585 0.239 -1.101) 10.645 28.384 ( 10.585 0.239 1.101) 10.645 28.734 ( -6.772 0.685 -0.826) 6.856 28.734 ( -6.772 0.685 0.826) 6.856 31.347 ( 1.326 11.184 -0.941) 11.301 31.347 ( 1.326 11.184 0.941) 11.301 31.704 ( -2.110 -18.326 -1.687) 18.524 31.704 ( -2.110 -18.326 1.687) 18.524 33.218 ( 3.933 6.548 -0.202) 7.641 33.218 ( 3.933 6.548 0.202) 7.641 33.475 ( -3.957 -1.455 -0.185) 4.220 33.475 ( -3.957 -1.455 0.185) 4.220 ======================= Grid point 293 (96/96) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -0.000 2.613 -0.000) 2.613 2.245 ( 0.000 2.613 0.000) 2.613 2.273 ( -0.000 -0.171 0.000) 0.171 2.273 ( 0.000 -0.171 0.000) 0.171 3.391 ( -0.000 18.802 0.000) 18.802 3.391 ( 0.000 18.802 0.000) 18.802 3.735 ( 0.000 -14.627 0.000) 14.627 3.735 ( 0.000 -14.627 0.000) 14.627 3.823 ( 0.000 13.827 -0.000) 13.827 3.823 ( 0.000 13.827 -0.000) 13.827 4.151 ( 0.000 -17.481 0.000) 17.481 4.151 ( 0.000 -17.481 0.000) 17.481 4.679 ( 0.000 2.304 -0.000) 2.304 4.679 ( 0.000 2.304 0.000) 2.304 4.778 ( 0.000 -6.895 0.000) 6.895 4.778 ( -0.000 -6.895 0.000) 6.895 5.572 ( 0.000 17.270 0.000) 17.270 5.572 ( 0.000 17.270 0.000) 17.270 5.894 ( -0.000 -12.183 0.000) 12.183 5.894 ( 0.000 -12.183 0.000) 12.183 6.300 ( -0.000 4.101 0.000) 4.101 6.300 ( 0.000 4.101 0.000) 4.101 6.416 ( 0.000 -5.847 0.000) 5.847 6.416 ( -0.000 -5.847 0.000) 5.847 7.118 ( 0.000 1.380 0.000) 1.380 7.118 ( 0.000 1.380 0.000) 1.380 7.166 ( -0.000 -3.250 0.000) 3.250 7.166 ( 0.000 -3.250 0.000) 3.250 8.268 ( -0.000 8.385 -0.000) 8.385 8.268 ( 0.000 8.385 0.000) 8.385 8.448 ( 0.000 -8.994 0.000) 8.994 8.448 ( 0.000 -8.994 0.000) 8.994 9.892 ( 0.000 16.322 0.000) 16.322 9.892 ( 0.000 16.322 0.000) 16.322 10.221 ( 0.000 -15.309 0.000) 15.309 10.221 ( 0.000 -15.309 0.000) 15.309 12.944 ( -0.000 8.756 0.000) 8.756 12.944 ( 0.000 8.756 0.000) 8.756 13.129 ( -0.000 -9.049 0.000) 9.049 13.129 ( 0.000 -9.049 0.000) 9.049 14.386 ( -0.000 3.632 0.000) 3.632 14.386 ( 0.000 3.632 0.000) 3.632 14.435 ( -0.000 -1.267 0.000) 1.267 14.435 ( 0.000 -1.267 0.000) 1.267 15.242 ( 0.000 4.200 0.000) 4.200 15.242 ( 0.000 4.200 0.000) 4.200 15.299 ( 0.000 -1.632 0.000) 1.632 15.299 ( 0.000 -1.632 0.000) 1.632 15.488 ( 0.000 1.631 0.000) 1.631 15.488 ( 0.000 1.631 0.000) 1.631 15.571 ( 0.000 -6.109 0.000) 6.109 15.571 ( 0.000 -6.109 0.000) 6.109 19.045 ( -0.000 5.335 0.000) 5.335 19.045 ( 0.000 5.335 0.000) 5.335 19.146 ( -0.000 -4.327 0.000) 4.327 19.146 ( 0.000 -4.327 0.000) 4.327 26.950 ( 0.000 4.142 0.000) 4.142 26.950 ( 0.000 4.142 0.000) 4.142 27.046 ( -0.000 -4.945 0.000) 4.945 27.046 ( 0.000 -4.945 0.000) 4.945 28.564 ( 0.000 1.930 0.000) 1.930 28.564 ( 0.000 1.930 0.000) 1.930 28.593 ( -0.000 -0.874 -0.000) 0.874 28.593 ( -0.000 -0.874 0.000) 0.874 31.361 ( 0.000 11.659 0.000) 11.659 31.361 ( 0.000 11.659 0.000) 11.659 31.681 ( 0.000 -19.133 0.000) 19.133 31.681 ( 0.000 -19.133 0.000) 19.133 33.268 ( -0.000 10.036 0.000) 10.036 33.268 ( 0.000 10.036 0.000) 10.036 33.424 ( -0.000 -4.750 0.000) 4.750 33.424 ( 0.000 -4.750 0.000) 4.750 =================== 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 3/30240 10.0 1859.969 1503.413 1140.407 0.000 0.000 -0.000 3/30240 20.0 309.980 284.273 224.375 0.000 0.000 -0.000 3/30240 30.0 111.991 101.695 83.152 0.000 0.000 -0.000 3/30240 40.0 58.632 53.674 44.686 0.000 0.000 0.000 3/30240 50.0 37.484 34.729 29.197 0.000 0.000 0.000 3/30240 60.0 26.974 25.222 21.330 0.000 0.000 0.000 3/30240 70.0 20.924 19.671 16.710 0.000 0.000 0.000 3/30240 80.0 17.064 16.079 13.718 0.000 0.000 0.000 3/30240 90.0 14.407 13.579 11.637 0.000 0.000 0.000 3/30240 100.0 12.472 11.745 10.111 0.000 0.000 0.000 3/30240 110.0 11.001 10.345 8.946 0.000 0.000 0.000 3/30240 120.0 9.846 9.243 8.027 0.000 0.000 0.000 3/30240 130.0 8.913 8.354 7.283 0.000 0.000 0.000 3/30240 140.0 8.146 7.623 6.669 0.000 0.000 0.000 3/30240 150.0 7.503 7.011 6.152 0.000 0.000 0.000 3/30240 160.0 6.956 6.493 5.712 0.000 0.000 0.000 3/30240 170.0 6.487 6.048 5.333 0.000 0.000 0.000 3/30240 180.0 6.078 5.663 5.002 0.000 0.000 0.000 3/30240 190.0 5.721 5.326 4.712 0.000 0.000 0.000 3/30240 200.0 5.405 5.029 4.454 0.000 0.000 0.000 3/30240 210.0 5.124 4.766 4.225 0.000 0.000 0.000 3/30240 220.0 4.872 4.531 4.019 0.000 0.000 0.000 3/30240 230.0 4.645 4.320 3.833 0.000 0.000 0.000 3/30240 240.0 4.440 4.130 3.665 0.000 0.000 0.000 3/30240 250.0 4.254 3.958 3.511 0.000 0.000 0.000 3/30240 260.0 4.084 3.800 3.371 0.000 0.000 0.000 3/30240 270.0 3.927 3.657 3.242 0.000 0.000 0.000 3/30240 280.0 3.783 3.525 3.123 0.000 0.000 0.000 3/30240 290.0 3.650 3.403 3.013 0.000 0.000 0.000 3/30240 300.0 3.527 3.291 2.911 0.000 0.000 0.000 3/30240 310.0 3.413 3.187 2.816 0.000 0.000 0.000 3/30240 320.0 3.306 3.090 2.728 0.000 0.000 0.000 3/30240 330.0 3.206 2.999 2.645 0.000 0.000 0.000 3/30240 340.0 3.112 2.914 2.567 0.000 0.000 0.000 3/30240 350.0 3.024 2.835 2.494 0.000 0.000 0.000 3/30240 360.0 2.941 2.760 2.426 0.000 0.000 0.000 3/30240 370.0 2.863 2.690 2.361 0.000 0.000 0.000 3/30240 380.0 2.789 2.623 2.300 0.000 0.000 0.000 3/30240 390.0 2.719 2.560 2.242 0.000 0.000 0.000 3/30240 400.0 2.653 2.501 2.187 0.000 0.000 0.000 3/30240 410.0 2.590 2.444 2.135 0.000 0.000 0.000 3/30240 420.0 2.530 2.390 2.085 0.000 0.000 0.000 3/30240 430.0 2.473 2.339 2.037 0.000 0.000 0.000 3/30240 440.0 2.418 2.290 1.992 0.000 0.000 0.000 3/30240 450.0 2.366 2.243 1.949 0.000 0.000 0.000 3/30240 460.0 2.316 2.198 1.908 0.000 0.000 0.000 3/30240 470.0 2.269 2.155 1.868 0.000 0.000 0.000 3/30240 480.0 2.223 2.114 1.831 0.000 0.000 0.000 3/30240 490.0 2.179 2.074 1.794 0.000 0.000 0.000 3/30240 500.0 2.137 2.036 1.759 0.000 0.000 0.000 3/30240 510.0 2.097 1.999 1.726 0.000 0.000 0.000 3/30240 520.0 2.058 1.964 1.694 0.000 0.000 0.000 3/30240 530.0 2.020 1.930 1.663 0.000 0.000 0.000 3/30240 540.0 1.984 1.897 1.633 0.000 0.000 0.000 3/30240 550.0 1.949 1.866 1.604 0.000 0.000 0.000 3/30240 560.0 1.916 1.835 1.576 0.000 0.000 0.000 3/30240 570.0 1.883 1.806 1.549 0.000 0.000 0.000 3/30240 580.0 1.852 1.777 1.524 0.000 0.000 0.000 3/30240 590.0 1.821 1.749 1.499 0.000 0.000 0.000 3/30240 600.0 1.792 1.723 1.474 0.000 0.000 0.000 3/30240 610.0 1.764 1.697 1.451 0.000 0.000 0.000 3/30240 620.0 1.736 1.671 1.428 0.000 0.000 0.000 3/30240 630.0 1.709 1.647 1.406 0.000 0.000 0.000 3/30240 640.0 1.684 1.623 1.385 0.000 0.000 0.000 3/30240 650.0 1.659 1.600 1.364 0.000 0.000 0.000 3/30240 660.0 1.634 1.578 1.344 0.000 0.000 0.000 3/30240 670.0 1.611 1.556 1.325 0.000 0.000 0.000 3/30240 680.0 1.588 1.535 1.306 0.000 0.000 0.000 3/30240 690.0 1.565 1.514 1.287 0.000 0.000 0.000 3/30240 700.0 1.544 1.494 1.269 0.000 0.000 0.000 3/30240 710.0 1.522 1.474 1.252 0.000 0.000 0.000 3/30240 720.0 1.502 1.455 1.235 0.000 0.000 0.000 3/30240 730.0 1.482 1.437 1.219 0.000 0.000 0.000 3/30240 740.0 1.463 1.419 1.203 0.000 0.000 0.000 3/30240 750.0 1.444 1.401 1.187 0.000 0.000 0.000 3/30240 760.0 1.425 1.384 1.172 0.000 0.000 0.000 3/30240 770.0 1.407 1.367 1.157 0.000 0.000 0.000 3/30240 780.0 1.390 1.350 1.142 0.000 0.000 0.000 3/30240 790.0 1.372 1.334 1.128 0.000 0.000 0.000 3/30240 800.0 1.356 1.319 1.115 0.000 0.000 0.000 3/30240 810.0 1.339 1.304 1.101 0.000 0.000 0.000 3/30240 820.0 1.324 1.289 1.088 0.000 0.000 0.000 3/30240 830.0 1.308 1.274 1.075 0.000 0.000 0.000 3/30240 840.0 1.293 1.260 1.063 0.000 0.000 0.000 3/30240 850.0 1.278 1.246 1.050 0.000 0.000 0.000 3/30240 860.0 1.263 1.232 1.039 0.000 0.000 0.000 3/30240 870.0 1.249 1.219 1.027 0.000 0.000 0.000 3/30240 880.0 1.235 1.206 1.015 0.000 0.000 0.000 3/30240 890.0 1.222 1.193 1.004 0.000 0.000 0.000 3/30240 900.0 1.209 1.180 0.993 0.000 0.000 0.000 3/30240 910.0 1.196 1.168 0.983 0.000 0.000 0.000 3/30240 920.0 1.183 1.156 0.972 0.000 0.000 0.000 3/30240 930.0 1.170 1.144 0.962 0.000 0.000 0.000 3/30240 940.0 1.158 1.133 0.952 0.000 0.000 0.000 3/30240 950.0 1.146 1.121 0.942 0.000 0.000 0.000 3/30240 960.0 1.135 1.110 0.932 0.000 0.000 0.000 3/30240 970.0 1.123 1.099 0.923 0.000 0.000 0.000 3/30240 980.0 1.112 1.089 0.914 0.000 0.000 0.000 3/30240 990.0 1.101 1.078 0.905 0.000 0.000 0.000 3/30240 1000.0 1.090 1.068 0.896 0.000 0.000 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m6710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:13:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|