----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:26:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.001725510000000 3.127075450000000 4.341484980000000 b 3.001725510000000 -3.127075450000000 4.341484980000000 c 3.001725510000000 3.127075450000000 -4.341484980000000 Atomic positions (fractional): *1 O 0.25286793960361 0.73564046778714 0.51722747181647 15.999 2 O 0.71841299597067 0.73564046778714 0.98277252818353 15.999 *3 O 0.25103318563364 0.26634482733266 0.51531164169902 15.999 4 O 0.25103318563364 0.73572154393462 0.98468835830098 15.999 5 O 0.74896681436636 0.26427845606538 0.01531164169902 15.999 6 O 0.74896681436636 0.73365517266734 0.48468835830098 15.999 7 O 0.28158700402933 0.26435953221286 0.01722747181647 15.999 8 O 0.74713206039639 0.26435953221286 0.48277252818353 15.999 *9 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 10 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 *11 Zn 0.89169665346522 0.14169665346522 0.75000000000000 65.380 12 Zn 0.10830334653478 0.85830334653478 0.25000000000000 65.380 *13 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 14 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.003451020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.254150900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.682969959999999 Atomic positions (fractional): *1 O 0.00000000000000 0.51722747181647 0.73564046778714 15.999 > 1 2 O 0.50000000000000 0.48277252818353 0.23564046778714 15.999 > 2 *3 O 0.26531164169902 0.25000000000000 0.00103318563364 15.999 > 3 4 O 0.73468835830098 0.25000000000000 0.00103318563364 15.999 > 4 5 O 0.26531164169902 0.75000000000000 0.99896681436636 15.999 > 5 6 O 0.73468835830098 0.75000000000000 0.99896681436636 15.999 > 6 7 O 0.50000000000000 0.51722747181647 0.76435953221286 15.999 > 7 8 O 0.00000000000000 0.48277252818353 0.26435953221286 15.999 > 8 9 O 0.50000000000000 0.01722747181647 0.23564046778714 15.999 > 1 10 O 0.00000000000000 0.98277252818353 0.73564046778714 15.999 > 2 11 O 0.76531164169902 0.75000000000000 0.50103318563364 15.999 > 3 12 O 0.23468835830098 0.75000000000000 0.50103318563364 15.999 > 4 13 O 0.76531164169902 0.25000000000000 0.49896681436636 15.999 > 5 14 O 0.23468835830098 0.25000000000000 0.49896681436636 15.999 > 6 15 O 0.00000000000000 0.01722747181647 0.26435953221286 15.999 > 7 16 O 0.50000000000000 0.98277252818353 0.76435953221286 15.999 > 8 *17 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 9 18 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 10 19 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 9 20 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 10 *21 Zn 0.00000000000000 0.75000000000000 0.14169665346522 65.380 > 11 22 Zn 0.00000000000000 0.25000000000000 0.85830334653478 65.380 > 12 *23 Zn 0.25000000000000 0.25000000000000 0.25000000000000 65.380 > 13 24 Zn 0.75000000000000 0.25000000000000 0.25000000000000 65.380 > 14 25 Zn 0.50000000000000 0.25000000000000 0.64169665346522 65.380 > 11 26 Zn 0.50000000000000 0.75000000000000 0.35830334653478 65.380 > 12 27 Zn 0.75000000000000 0.75000000000000 0.75000000000000 65.380 > 13 28 Zn 0.25000000000000 0.75000000000000 0.75000000000000 65.380 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.006902040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.508301800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.682969959999999 Atomic positions (fractional): *1 O 0.00000000000000 0.25861373590823 0.73564046778714 15.999 > 1 2 O 0.50000000000000 0.25861373590823 0.73564046778714 15.999 > 1 3 O 0.00000000000000 0.75861373590823 0.73564046778714 15.999 > 1 4 O 0.50000000000000 0.75861373590823 0.73564046778714 15.999 > 1 5 O 0.25000000000000 0.24138626409177 0.23564046778714 15.999 > 2 6 O 0.75000000000000 0.24138626409177 0.23564046778714 15.999 > 2 7 O 0.25000000000000 0.74138626409177 0.23564046778714 15.999 > 2 8 O 0.75000000000000 0.74138626409177 0.23564046778714 15.999 > 2 *9 O 0.13265582084951 0.12500000000000 0.00103318563364 15.999 > 3 10 O 0.63265582084951 0.12500000000000 0.00103318563364 15.999 > 3 11 O 0.13265582084951 0.62500000000000 0.00103318563364 15.999 > 3 12 O 0.63265582084951 0.62500000000000 0.00103318563364 15.999 > 3 13 O 0.36734417915049 0.12500000000000 0.00103318563364 15.999 > 4 14 O 0.86734417915049 0.12500000000000 0.00103318563364 15.999 > 4 15 O 0.36734417915049 0.62500000000000 0.00103318563364 15.999 > 4 16 O 0.86734417915049 0.62500000000000 0.00103318563364 15.999 > 4 17 O 0.13265582084951 0.37500000000000 0.99896681436636 15.999 > 5 18 O 0.63265582084951 0.37500000000000 0.99896681436636 15.999 > 5 19 O 0.13265582084951 0.87500000000000 0.99896681436636 15.999 > 5 20 O 0.63265582084951 0.87500000000000 0.99896681436636 15.999 > 5 21 O 0.36734417915049 0.37500000000000 0.99896681436636 15.999 > 6 22 O 0.86734417915049 0.37500000000000 0.99896681436636 15.999 > 6 23 O 0.36734417915049 0.87500000000000 0.99896681436636 15.999 > 6 24 O 0.86734417915049 0.87500000000000 0.99896681436636 15.999 > 6 25 O 0.25000000000000 0.25861373590823 0.76435953221286 15.999 > 7 26 O 0.75000000000000 0.25861373590823 0.76435953221286 15.999 > 7 27 O 0.25000000000000 0.75861373590823 0.76435953221286 15.999 > 7 28 O 0.75000000000000 0.75861373590823 0.76435953221286 15.999 > 7 29 O 0.00000000000000 0.24138626409177 0.26435953221286 15.999 > 8 30 O 0.50000000000000 0.24138626409177 0.26435953221286 15.999 > 8 31 O 0.00000000000000 0.74138626409177 0.26435953221286 15.999 > 8 32 O 0.50000000000000 0.74138626409177 0.26435953221286 15.999 > 8 33 O 0.25000000000000 0.00861373590824 0.23564046778714 15.999 > 1 34 O 0.75000000000000 0.00861373590824 0.23564046778714 15.999 > 1 35 O 0.25000000000000 0.50861373590823 0.23564046778714 15.999 > 1 36 O 0.75000000000000 0.50861373590823 0.23564046778714 15.999 > 1 37 O 0.00000000000000 0.49138626409177 0.73564046778714 15.999 > 2 38 O 0.50000000000000 0.49138626409177 0.73564046778714 15.999 > 2 39 O 0.00000000000000 0.99138626409177 0.73564046778714 15.999 > 2 40 O 0.50000000000000 0.99138626409177 0.73564046778714 15.999 > 2 41 O 0.38265582084951 0.37500000000000 0.50103318563364 15.999 > 3 42 O 0.88265582084951 0.37500000000000 0.50103318563364 15.999 > 3 43 O 0.38265582084951 0.87500000000000 0.50103318563364 15.999 > 3 44 O 0.88265582084951 0.87500000000000 0.50103318563364 15.999 > 3 45 O 0.11734417915049 0.37500000000000 0.50103318563364 15.999 > 4 46 O 0.61734417915049 0.37500000000000 0.50103318563364 15.999 > 4 47 O 0.11734417915049 0.87500000000000 0.50103318563364 15.999 > 4 48 O 0.61734417915049 0.87500000000000 0.50103318563364 15.999 > 4 49 O 0.38265582084951 0.12500000000000 0.49896681436636 15.999 > 5 50 O 0.88265582084951 0.12500000000000 0.49896681436636 15.999 > 5 51 O 0.38265582084951 0.62500000000000 0.49896681436636 15.999 > 5 52 O 0.88265582084951 0.62500000000000 0.49896681436636 15.999 > 5 53 O 0.11734417915049 0.12500000000000 0.49896681436636 15.999 > 6 54 O 0.61734417915049 0.12500000000000 0.49896681436636 15.999 > 6 55 O 0.11734417915049 0.62500000000000 0.49896681436636 15.999 > 6 56 O 0.61734417915049 0.62500000000000 0.49896681436636 15.999 > 6 57 O 0.00000000000000 0.00861373590824 0.26435953221286 15.999 > 7 58 O 0.50000000000000 0.00861373590824 0.26435953221286 15.999 > 7 59 O 0.00000000000000 0.50861373590823 0.26435953221286 15.999 > 7 60 O 0.50000000000000 0.50861373590823 0.26435953221286 15.999 > 7 61 O 0.25000000000000 0.49138626409177 0.76435953221286 15.999 > 8 62 O 0.75000000000000 0.49138626409177 0.76435953221286 15.999 > 8 63 O 0.25000000000000 0.99138626409177 0.76435953221286 15.999 > 8 64 O 0.75000000000000 0.99138626409177 0.76435953221286 15.999 > 8 *65 Sn 0.25000000000000 0.00000000000000 0.00000000000000 118.710 > 9 66 Sn 0.75000000000000 0.00000000000000 0.00000000000000 118.710 > 9 67 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 9 68 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 9 69 Sn 0.25000000000000 0.25000000000000 0.00000000000000 118.710 > 10 70 Sn 0.75000000000000 0.25000000000000 0.00000000000000 118.710 > 10 71 Sn 0.25000000000000 0.75000000000000 0.00000000000000 118.710 > 10 72 Sn 0.75000000000000 0.75000000000000 0.00000000000000 118.710 > 10 73 Sn 0.00000000000000 0.25000000000000 0.50000000000000 118.710 > 9 74 Sn 0.50000000000000 0.25000000000000 0.50000000000000 118.710 > 9 75 Sn 0.00000000000000 0.75000000000000 0.50000000000000 118.710 > 9 76 Sn 0.50000000000000 0.75000000000000 0.50000000000000 118.710 > 9 77 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 10 78 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 10 79 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 10 80 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 10 *81 Zn 0.00000000000000 0.37500000000000 0.14169665346522 65.380 > 11 82 Zn 0.50000000000000 0.37500000000000 0.14169665346522 65.380 > 11 83 Zn 0.00000000000000 0.87500000000000 0.14169665346522 65.380 > 11 84 Zn 0.50000000000000 0.87500000000000 0.14169665346522 65.380 > 11 85 Zn 0.00000000000000 0.12500000000000 0.85830334653478 65.380 > 12 86 Zn 0.50000000000000 0.12500000000000 0.85830334653478 65.380 > 12 87 Zn 0.00000000000000 0.62500000000000 0.85830334653478 65.380 > 12 88 Zn 0.50000000000000 0.62500000000000 0.85830334653478 65.380 > 12 *89 Zn 0.12500000000000 0.12500000000000 0.25000000000000 65.380 > 13 90 Zn 0.62500000000000 0.12500000000000 0.25000000000000 65.380 > 13 91 Zn 0.12500000000000 0.62500000000000 0.25000000000000 65.380 > 13 92 Zn 0.62500000000000 0.62500000000000 0.25000000000000 65.380 > 13 93 Zn 0.37500000000000 0.12500000000000 0.25000000000000 65.380 > 14 94 Zn 0.87500000000000 0.12500000000000 0.25000000000000 65.380 > 14 95 Zn 0.37500000000000 0.62500000000000 0.25000000000000 65.380 > 14 96 Zn 0.87500000000000 0.62500000000000 0.25000000000000 65.380 > 14 97 Zn 0.25000000000000 0.12500000000000 0.64169665346522 65.380 > 11 98 Zn 0.75000000000000 0.12500000000000 0.64169665346522 65.380 > 11 99 Zn 0.25000000000000 0.62500000000000 0.64169665346522 65.380 > 11 100 Zn 0.75000000000000 0.62500000000000 0.64169665346522 65.380 > 11 101 Zn 0.25000000000000 0.37500000000000 0.35830334653478 65.380 > 12 102 Zn 0.75000000000000 0.37500000000000 0.35830334653478 65.380 > 12 103 Zn 0.25000000000000 0.87500000000000 0.35830334653478 65.380 > 12 104 Zn 0.75000000000000 0.87500000000000 0.35830334653478 65.380 > 12 105 Zn 0.37500000000000 0.37500000000000 0.75000000000000 65.380 > 13 106 Zn 0.87500000000000 0.37500000000000 0.75000000000000 65.380 > 13 107 Zn 0.37500000000000 0.87500000000000 0.75000000000000 65.380 > 13 108 Zn 0.87500000000000 0.87500000000000 0.75000000000000 65.380 > 13 109 Zn 0.12500000000000 0.37500000000000 0.75000000000000 65.380 > 14 110 Zn 0.62500000000000 0.37500000000000 0.75000000000000 65.380 > 14 111 Zn 0.12500000000000 0.87500000000000 0.75000000000000 65.380 > 14 112 Zn 0.62500000000000 0.87500000000000 0.75000000000000 65.380 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4914385 0.0000000 0.0000000 0.0000000 4.7308711 0.0000000 0.0000000 0.0000000 4.5614277 -------------------------- Born effective charges -------------------------- 1 O -1.7016247 0.0000000 0.0000000 0.0000000 -2.2225285 0.2409177 0.0000000 0.1923827 -2.1172276 2 O -1.7016247 0.0000000 0.0000000 0.0000000 -2.2225285 -0.2409177 0.0000000 -0.1923827 -2.1172276 3 O -2.2119212 0.0000000 -0.2708081 0.0000000 -2.1732499 0.0000000 -0.2995072 0.0000000 -1.9676517 4 O -2.2119212 0.0000000 0.2708081 0.0000000 -2.1732499 0.0000000 0.2995072 0.0000000 -1.9676517 5 O -2.2119212 0.0000000 0.2708081 0.0000000 -2.1732499 0.0000000 0.2995072 0.0000000 -1.9676517 6 O -2.2119212 0.0000000 -0.2708081 0.0000000 -2.1732499 0.0000000 -0.2995072 0.0000000 -1.9676517 7 O -1.7016247 0.0000000 0.0000000 0.0000000 -2.2225285 -0.2409177 0.0000000 -0.1923827 -2.1172276 8 O -1.7016247 0.0000000 0.0000000 0.0000000 -2.2225285 0.2409177 0.0000000 0.1923827 -2.1172276 9 Sn 3.0914743 0.0000000 0.0000000 0.0000000 4.3587464 0.1707605 0.0000000 0.1554003 3.6554129 10 Sn 3.0914743 0.0000000 0.0000000 0.0000000 4.3587464 -0.1707605 0.0000000 -0.1554003 3.6554129 11 Zn 2.4440635 0.0000000 0.0000000 0.0000000 2.2110150 0.0000000 0.0000000 0.0000000 2.3429395 12 Zn 2.4440635 0.0000000 0.0000000 0.0000000 2.2110150 0.0000000 0.0000000 0.0000000 2.3429395 13 Zn 2.2915539 0.0000000 -0.4079507 0.0000000 2.2217955 0.0000000 -0.4888168 0.0000000 2.1714063 14 Zn 2.2915539 0.0000000 0.4079507 0.0000000 2.2217955 0.0000000 0.4888168 0.0000000 2.1714063 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1020 Number of blocks in projector: 1020 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: 197 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 197 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 131 Use standard eigh solver. Tree of FC basis block matrices: - (1020, 997), data: False |-- (131, 131), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (197, 193), data: True |-- (197, 193), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 1.084 Solver_block: 200 / 240 - Time: 1.130 Solver_block: 240 / 240 - Time: 0.554 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.950 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1020 Number of blocks in projector: 1020 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: 197 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 197 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 131 Use standard eigh solver. Tree of FC basis block matrices: - (1020, 997), data: False |-- (131, 131), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (197, 193), data: True |-- (197, 193), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:26:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:26:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.001725510000000 3.127075450000000 4.341484980000000 b 3.001725510000000 -3.127075450000000 4.341484980000000 c 3.001725510000000 3.127075450000000 -4.341484980000000 Atomic positions (fractional): 1 O 0.25286793960361 0.73564046778714 0.51722747181647 15.999 2 O 0.71841299597067 0.73564046778714 0.98277252818353 15.999 3 O 0.25103318563364 0.26634482733266 0.51531164169902 15.999 4 O 0.25103318563364 0.73572154393462 0.98468835830098 15.999 5 O 0.74896681436636 0.26427845606538 0.01531164169902 15.999 6 O 0.74896681436636 0.73365517266734 0.48468835830098 15.999 7 O 0.28158700402933 0.26435953221286 0.01722747181647 15.999 8 O 0.74713206039639 0.26435953221286 0.48277252818353 15.999 9 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 10 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 11 Zn 0.89169665346522 0.14169665346522 0.75000000000000 65.380 12 Zn 0.10830334653478 0.85830334653478 0.25000000000000 65.380 13 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 14 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.006902040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.508301800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.682969959999999 Atomic positions (fractional): 1 O 0.00000000000000 0.25861373590823 0.73564046778714 15.999 > 1 2 O 0.50000000000000 0.25861373590823 0.73564046778714 15.999 > 1 3 O 0.00000000000000 0.75861373590823 0.73564046778714 15.999 > 1 4 O 0.50000000000000 0.75861373590823 0.73564046778714 15.999 > 1 5 O 0.25000000000000 0.24138626409177 0.23564046778714 15.999 > 5 6 O 0.75000000000000 0.24138626409177 0.23564046778714 15.999 > 5 7 O 0.25000000000000 0.74138626409177 0.23564046778714 15.999 > 5 8 O 0.75000000000000 0.74138626409177 0.23564046778714 15.999 > 5 9 O 0.13265582084951 0.12500000000000 0.00103318563364 15.999 > 9 10 O 0.63265582084951 0.12500000000000 0.00103318563364 15.999 > 9 11 O 0.13265582084951 0.62500000000000 0.00103318563364 15.999 > 9 12 O 0.63265582084951 0.62500000000000 0.00103318563364 15.999 > 9 13 O 0.36734417915049 0.12500000000000 0.00103318563364 15.999 > 13 14 O 0.86734417915049 0.12500000000000 0.00103318563364 15.999 > 13 15 O 0.36734417915049 0.62500000000000 0.00103318563364 15.999 > 13 16 O 0.86734417915049 0.62500000000000 0.00103318563364 15.999 > 13 17 O 0.13265582084951 0.37500000000000 0.99896681436636 15.999 > 17 18 O 0.63265582084951 0.37500000000000 0.99896681436636 15.999 > 17 19 O 0.13265582084951 0.87500000000000 0.99896681436636 15.999 > 17 20 O 0.63265582084951 0.87500000000000 0.99896681436636 15.999 > 17 21 O 0.36734417915049 0.37500000000000 0.99896681436636 15.999 > 21 22 O 0.86734417915049 0.37500000000000 0.99896681436636 15.999 > 21 23 O 0.36734417915049 0.87500000000000 0.99896681436636 15.999 > 21 24 O 0.86734417915049 0.87500000000000 0.99896681436636 15.999 > 21 25 O 0.25000000000000 0.25861373590823 0.76435953221286 15.999 > 25 26 O 0.75000000000000 0.25861373590823 0.76435953221286 15.999 > 25 27 O 0.25000000000000 0.75861373590823 0.76435953221286 15.999 > 25 28 O 0.75000000000000 0.75861373590823 0.76435953221286 15.999 > 25 29 O 0.00000000000000 0.24138626409177 0.26435953221286 15.999 > 29 30 O 0.50000000000000 0.24138626409177 0.26435953221286 15.999 > 29 31 O 0.00000000000000 0.74138626409177 0.26435953221286 15.999 > 29 32 O 0.50000000000000 0.74138626409177 0.26435953221286 15.999 > 29 33 O 0.25000000000000 0.00861373590824 0.23564046778714 15.999 > 1 34 O 0.75000000000000 0.00861373590824 0.23564046778714 15.999 > 1 35 O 0.25000000000000 0.50861373590823 0.23564046778714 15.999 > 1 36 O 0.75000000000000 0.50861373590823 0.23564046778714 15.999 > 1 37 O 0.00000000000000 0.49138626409177 0.73564046778714 15.999 > 5 38 O 0.50000000000000 0.49138626409177 0.73564046778714 15.999 > 5 39 O 0.00000000000000 0.99138626409177 0.73564046778714 15.999 > 5 40 O 0.50000000000000 0.99138626409177 0.73564046778714 15.999 > 5 41 O 0.38265582084951 0.37500000000000 0.50103318563364 15.999 > 9 42 O 0.88265582084951 0.37500000000000 0.50103318563364 15.999 > 9 43 O 0.38265582084951 0.87500000000000 0.50103318563364 15.999 > 9 44 O 0.88265582084951 0.87500000000000 0.50103318563364 15.999 > 9 45 O 0.11734417915049 0.37500000000000 0.50103318563364 15.999 > 13 46 O 0.61734417915049 0.37500000000000 0.50103318563364 15.999 > 13 47 O 0.11734417915049 0.87500000000000 0.50103318563364 15.999 > 13 48 O 0.61734417915049 0.87500000000000 0.50103318563364 15.999 > 13 49 O 0.38265582084951 0.12500000000000 0.49896681436636 15.999 > 17 50 O 0.88265582084951 0.12500000000000 0.49896681436636 15.999 > 17 51 O 0.38265582084951 0.62500000000000 0.49896681436636 15.999 > 17 52 O 0.88265582084951 0.62500000000000 0.49896681436636 15.999 > 17 53 O 0.11734417915049 0.12500000000000 0.49896681436636 15.999 > 21 54 O 0.61734417915049 0.12500000000000 0.49896681436636 15.999 > 21 55 O 0.11734417915049 0.62500000000000 0.49896681436636 15.999 > 21 56 O 0.61734417915049 0.62500000000000 0.49896681436636 15.999 > 21 57 O 0.00000000000000 0.00861373590824 0.26435953221286 15.999 > 25 58 O 0.50000000000000 0.00861373590824 0.26435953221286 15.999 > 25 59 O 0.00000000000000 0.50861373590823 0.26435953221286 15.999 > 25 60 O 0.50000000000000 0.50861373590823 0.26435953221286 15.999 > 25 61 O 0.25000000000000 0.49138626409177 0.76435953221286 15.999 > 29 62 O 0.75000000000000 0.49138626409177 0.76435953221286 15.999 > 29 63 O 0.25000000000000 0.99138626409177 0.76435953221286 15.999 > 29 64 O 0.75000000000000 0.99138626409177 0.76435953221286 15.999 > 29 65 Sn 0.25000000000000 0.00000000000000 0.00000000000000 118.710 > 65 66 Sn 0.75000000000000 0.00000000000000 0.00000000000000 118.710 > 65 67 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 65 68 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 65 69 Sn 0.25000000000000 0.25000000000000 0.00000000000000 118.710 > 69 70 Sn 0.75000000000000 0.25000000000000 0.00000000000000 118.710 > 69 71 Sn 0.25000000000000 0.75000000000000 0.00000000000000 118.710 > 69 72 Sn 0.75000000000000 0.75000000000000 0.00000000000000 118.710 > 69 73 Sn 0.00000000000000 0.25000000000000 0.50000000000000 118.710 > 65 74 Sn 0.50000000000000 0.25000000000000 0.50000000000000 118.710 > 65 75 Sn 0.00000000000000 0.75000000000000 0.50000000000000 118.710 > 65 76 Sn 0.50000000000000 0.75000000000000 0.50000000000000 118.710 > 65 77 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 69 78 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 69 79 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 69 80 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 69 81 Zn 0.00000000000000 0.37500000000000 0.14169665346522 65.380 > 81 82 Zn 0.50000000000000 0.37500000000000 0.14169665346522 65.380 > 81 83 Zn 0.00000000000000 0.87500000000000 0.14169665346522 65.380 > 81 84 Zn 0.50000000000000 0.87500000000000 0.14169665346522 65.380 > 81 85 Zn 0.00000000000000 0.12500000000000 0.85830334653478 65.380 > 85 86 Zn 0.50000000000000 0.12500000000000 0.85830334653478 65.380 > 85 87 Zn 0.00000000000000 0.62500000000000 0.85830334653478 65.380 > 85 88 Zn 0.50000000000000 0.62500000000000 0.85830334653478 65.380 > 85 89 Zn 0.12500000000000 0.12500000000000 0.25000000000000 65.380 > 89 90 Zn 0.62500000000000 0.12500000000000 0.25000000000000 65.380 > 89 91 Zn 0.12500000000000 0.62500000000000 0.25000000000000 65.380 > 89 92 Zn 0.62500000000000 0.62500000000000 0.25000000000000 65.380 > 89 93 Zn 0.37500000000000 0.12500000000000 0.25000000000000 65.380 > 93 94 Zn 0.87500000000000 0.12500000000000 0.25000000000000 65.380 > 93 95 Zn 0.37500000000000 0.62500000000000 0.25000000000000 65.380 > 93 96 Zn 0.87500000000000 0.62500000000000 0.25000000000000 65.380 > 93 97 Zn 0.25000000000000 0.12500000000000 0.64169665346522 65.380 > 81 98 Zn 0.75000000000000 0.12500000000000 0.64169665346522 65.380 > 81 99 Zn 0.25000000000000 0.62500000000000 0.64169665346522 65.380 > 81 100 Zn 0.75000000000000 0.62500000000000 0.64169665346522 65.380 > 81 101 Zn 0.25000000000000 0.37500000000000 0.35830334653478 65.380 > 85 102 Zn 0.75000000000000 0.37500000000000 0.35830334653478 65.380 > 85 103 Zn 0.25000000000000 0.87500000000000 0.35830334653478 65.380 > 85 104 Zn 0.75000000000000 0.87500000000000 0.35830334653478 65.380 > 85 105 Zn 0.37500000000000 0.37500000000000 0.75000000000000 65.380 > 89 106 Zn 0.87500000000000 0.37500000000000 0.75000000000000 65.380 > 89 107 Zn 0.37500000000000 0.87500000000000 0.75000000000000 65.380 > 89 108 Zn 0.87500000000000 0.87500000000000 0.75000000000000 65.380 > 89 109 Zn 0.12500000000000 0.37500000000000 0.75000000000000 65.380 > 93 110 Zn 0.62500000000000 0.37500000000000 0.75000000000000 65.380 > 93 111 Zn 0.12500000000000 0.87500000000000 0.75000000000000 65.380 > 93 112 Zn 0.62500000000000 0.87500000000000 0.75000000000000 65.380 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4914385 0.0000000 0.0000000 0.0000000 4.7308711 0.0000000 0.0000000 0.0000000 4.5614277 -------------------------- Born effective charges -------------------------- 1 O -1.7016247 0.0000000 0.0000000 0.0000000 -2.2225285 0.2409177 0.0000000 0.1923827 -2.1172276 2 O -1.7016247 0.0000000 0.0000000 0.0000000 -2.2225285 -0.2409177 0.0000000 -0.1923827 -2.1172276 3 O -2.2119212 0.0000000 -0.2708081 0.0000000 -2.1732499 0.0000000 -0.2995072 0.0000000 -1.9676517 4 O -2.2119212 0.0000000 0.2708081 0.0000000 -2.1732499 0.0000000 0.2995072 0.0000000 -1.9676517 5 O -2.2119212 0.0000000 0.2708081 0.0000000 -2.1732499 0.0000000 0.2995072 0.0000000 -1.9676517 6 O -2.2119212 0.0000000 -0.2708081 0.0000000 -2.1732499 0.0000000 -0.2995072 0.0000000 -1.9676517 7 O -1.7016247 0.0000000 0.0000000 0.0000000 -2.2225285 -0.2409177 0.0000000 -0.1923827 -2.1172276 8 O -1.7016247 0.0000000 0.0000000 0.0000000 -2.2225285 0.2409177 0.0000000 0.1923827 -2.1172276 9 Sn 3.0914743 0.0000000 0.0000000 0.0000000 4.3587464 0.1707605 0.0000000 0.1554003 3.6554129 10 Sn 3.0914743 0.0000000 0.0000000 0.0000000 4.3587464 -0.1707605 0.0000000 -0.1554003 3.6554129 11 Zn 2.4440635 0.0000000 0.0000000 0.0000000 2.2110150 0.0000000 0.0000000 0.0000000 2.3429395 12 Zn 2.4440635 0.0000000 0.0000000 0.0000000 2.2110150 0.0000000 0.0000000 0.0000000 2.3429395 13 Zn 2.2915539 0.0000000 -0.4079507 0.0000000 2.2217955 0.0000000 -0.4888168 0.0000000 2.1714063 14 Zn 2.2915539 0.0000000 0.4079507 0.0000000 2.2217955 0.0000000 0.4888168 0.0000000 2.1714063 ---------------------------------------------------------------------------- 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[ 9, 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] Computing fc3[ 89, 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: 0.00000003 (yzy) 0.00000003 (yzy) 0.00000003 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) 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 09:27:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:27:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.001725510000000 3.127075450000000 4.341484980000000 b 3.001725510000000 -3.127075450000000 4.341484980000000 c 3.001725510000000 3.127075450000000 -4.341484980000000 Atomic positions (fractional): 1 O 0.25286793960361 0.73564046778714 0.51722747181647 15.999 2 O 0.71841299597067 0.73564046778714 0.98277252818353 15.999 3 O 0.25103318563364 0.26634482733266 0.51531164169902 15.999 4 O 0.25103318563364 0.73572154393462 0.98468835830098 15.999 5 O 0.74896681436636 0.26427845606538 0.01531164169902 15.999 6 O 0.74896681436636 0.73365517266734 0.48468835830098 15.999 7 O 0.28158700402933 0.26435953221286 0.01722747181647 15.999 8 O 0.74713206039639 0.26435953221286 0.48277252818353 15.999 9 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 10 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 11 Zn 0.89169665346522 0.14169665346522 0.75000000000000 65.380 12 Zn 0.10830334653478 0.85830334653478 0.25000000000000 65.380 13 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 14 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.006902040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.508301800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.682969959999999 Atomic positions (fractional): 1 O 0.00000000000000 0.25861373590823 0.73564046778714 15.999 > 1 2 O 0.50000000000000 0.25861373590823 0.73564046778714 15.999 > 1 3 O 0.00000000000000 0.75861373590823 0.73564046778714 15.999 > 1 4 O 0.50000000000000 0.75861373590823 0.73564046778714 15.999 > 1 5 O 0.25000000000000 0.24138626409177 0.23564046778714 15.999 > 5 6 O 0.75000000000000 0.24138626409177 0.23564046778714 15.999 > 5 7 O 0.25000000000000 0.74138626409177 0.23564046778714 15.999 > 5 8 O 0.75000000000000 0.74138626409177 0.23564046778714 15.999 > 5 9 O 0.13265582084951 0.12500000000000 0.00103318563364 15.999 > 9 10 O 0.63265582084951 0.12500000000000 0.00103318563364 15.999 > 9 11 O 0.13265582084951 0.62500000000000 0.00103318563364 15.999 > 9 12 O 0.63265582084951 0.62500000000000 0.00103318563364 15.999 > 9 13 O 0.36734417915049 0.12500000000000 0.00103318563364 15.999 > 13 14 O 0.86734417915049 0.12500000000000 0.00103318563364 15.999 > 13 15 O 0.36734417915049 0.62500000000000 0.00103318563364 15.999 > 13 16 O 0.86734417915049 0.62500000000000 0.00103318563364 15.999 > 13 17 O 0.13265582084951 0.37500000000000 0.99896681436636 15.999 > 17 18 O 0.63265582084951 0.37500000000000 0.99896681436636 15.999 > 17 19 O 0.13265582084951 0.87500000000000 0.99896681436636 15.999 > 17 20 O 0.63265582084951 0.87500000000000 0.99896681436636 15.999 > 17 21 O 0.36734417915049 0.37500000000000 0.99896681436636 15.999 > 21 22 O 0.86734417915049 0.37500000000000 0.99896681436636 15.999 > 21 23 O 0.36734417915049 0.87500000000000 0.99896681436636 15.999 > 21 24 O 0.86734417915049 0.87500000000000 0.99896681436636 15.999 > 21 25 O 0.25000000000000 0.25861373590823 0.76435953221286 15.999 > 25 26 O 0.75000000000000 0.25861373590823 0.76435953221286 15.999 > 25 27 O 0.25000000000000 0.75861373590823 0.76435953221286 15.999 > 25 28 O 0.75000000000000 0.75861373590823 0.76435953221286 15.999 > 25 29 O 0.00000000000000 0.24138626409177 0.26435953221286 15.999 > 29 30 O 0.50000000000000 0.24138626409177 0.26435953221286 15.999 > 29 31 O 0.00000000000000 0.74138626409177 0.26435953221286 15.999 > 29 32 O 0.50000000000000 0.74138626409177 0.26435953221286 15.999 > 29 33 O 0.25000000000000 0.00861373590824 0.23564046778714 15.999 > 1 34 O 0.75000000000000 0.00861373590824 0.23564046778714 15.999 > 1 35 O 0.25000000000000 0.50861373590823 0.23564046778714 15.999 > 1 36 O 0.75000000000000 0.50861373590823 0.23564046778714 15.999 > 1 37 O 0.00000000000000 0.49138626409177 0.73564046778714 15.999 > 5 38 O 0.50000000000000 0.49138626409177 0.73564046778714 15.999 > 5 39 O 0.00000000000000 0.99138626409177 0.73564046778714 15.999 > 5 40 O 0.50000000000000 0.99138626409177 0.73564046778714 15.999 > 5 41 O 0.38265582084951 0.37500000000000 0.50103318563364 15.999 > 9 42 O 0.88265582084951 0.37500000000000 0.50103318563364 15.999 > 9 43 O 0.38265582084951 0.87500000000000 0.50103318563364 15.999 > 9 44 O 0.88265582084951 0.87500000000000 0.50103318563364 15.999 > 9 45 O 0.11734417915049 0.37500000000000 0.50103318563364 15.999 > 13 46 O 0.61734417915049 0.37500000000000 0.50103318563364 15.999 > 13 47 O 0.11734417915049 0.87500000000000 0.50103318563364 15.999 > 13 48 O 0.61734417915049 0.87500000000000 0.50103318563364 15.999 > 13 49 O 0.38265582084951 0.12500000000000 0.49896681436636 15.999 > 17 50 O 0.88265582084951 0.12500000000000 0.49896681436636 15.999 > 17 51 O 0.38265582084951 0.62500000000000 0.49896681436636 15.999 > 17 52 O 0.88265582084951 0.62500000000000 0.49896681436636 15.999 > 17 53 O 0.11734417915049 0.12500000000000 0.49896681436636 15.999 > 21 54 O 0.61734417915049 0.12500000000000 0.49896681436636 15.999 > 21 55 O 0.11734417915049 0.62500000000000 0.49896681436636 15.999 > 21 56 O 0.61734417915049 0.62500000000000 0.49896681436636 15.999 > 21 57 O 0.00000000000000 0.00861373590824 0.26435953221286 15.999 > 25 58 O 0.50000000000000 0.00861373590824 0.26435953221286 15.999 > 25 59 O 0.00000000000000 0.50861373590823 0.26435953221286 15.999 > 25 60 O 0.50000000000000 0.50861373590823 0.26435953221286 15.999 > 25 61 O 0.25000000000000 0.49138626409177 0.76435953221286 15.999 > 29 62 O 0.75000000000000 0.49138626409177 0.76435953221286 15.999 > 29 63 O 0.25000000000000 0.99138626409177 0.76435953221286 15.999 > 29 64 O 0.75000000000000 0.99138626409177 0.76435953221286 15.999 > 29 65 Sn 0.25000000000000 0.00000000000000 0.00000000000000 118.710 > 65 66 Sn 0.75000000000000 0.00000000000000 0.00000000000000 118.710 > 65 67 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 65 68 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 65 69 Sn 0.25000000000000 0.25000000000000 0.00000000000000 118.710 > 69 70 Sn 0.75000000000000 0.25000000000000 0.00000000000000 118.710 > 69 71 Sn 0.25000000000000 0.75000000000000 0.00000000000000 118.710 > 69 72 Sn 0.75000000000000 0.75000000000000 0.00000000000000 118.710 > 69 73 Sn 0.00000000000000 0.25000000000000 0.50000000000000 118.710 > 65 74 Sn 0.50000000000000 0.25000000000000 0.50000000000000 118.710 > 65 75 Sn 0.00000000000000 0.75000000000000 0.50000000000000 118.710 > 65 76 Sn 0.50000000000000 0.75000000000000 0.50000000000000 118.710 > 65 77 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 69 78 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 69 79 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 69 80 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 69 81 Zn 0.00000000000000 0.37500000000000 0.14169665346522 65.380 > 81 82 Zn 0.50000000000000 0.37500000000000 0.14169665346522 65.380 > 81 83 Zn 0.00000000000000 0.87500000000000 0.14169665346522 65.380 > 81 84 Zn 0.50000000000000 0.87500000000000 0.14169665346522 65.380 > 81 85 Zn 0.00000000000000 0.12500000000000 0.85830334653478 65.380 > 85 86 Zn 0.50000000000000 0.12500000000000 0.85830334653478 65.380 > 85 87 Zn 0.00000000000000 0.62500000000000 0.85830334653478 65.380 > 85 88 Zn 0.50000000000000 0.62500000000000 0.85830334653478 65.380 > 85 89 Zn 0.12500000000000 0.12500000000000 0.25000000000000 65.380 > 89 90 Zn 0.62500000000000 0.12500000000000 0.25000000000000 65.380 > 89 91 Zn 0.12500000000000 0.62500000000000 0.25000000000000 65.380 > 89 92 Zn 0.62500000000000 0.62500000000000 0.25000000000000 65.380 > 89 93 Zn 0.37500000000000 0.12500000000000 0.25000000000000 65.380 > 93 94 Zn 0.87500000000000 0.12500000000000 0.25000000000000 65.380 > 93 95 Zn 0.37500000000000 0.62500000000000 0.25000000000000 65.380 > 93 96 Zn 0.87500000000000 0.62500000000000 0.25000000000000 65.380 > 93 97 Zn 0.25000000000000 0.12500000000000 0.64169665346522 65.380 > 81 98 Zn 0.75000000000000 0.12500000000000 0.64169665346522 65.380 > 81 99 Zn 0.25000000000000 0.62500000000000 0.64169665346522 65.380 > 81 100 Zn 0.75000000000000 0.62500000000000 0.64169665346522 65.380 > 81 101 Zn 0.25000000000000 0.37500000000000 0.35830334653478 65.380 > 85 102 Zn 0.75000000000000 0.37500000000000 0.35830334653478 65.380 > 85 103 Zn 0.25000000000000 0.87500000000000 0.35830334653478 65.380 > 85 104 Zn 0.75000000000000 0.87500000000000 0.35830334653478 65.380 > 85 105 Zn 0.37500000000000 0.37500000000000 0.75000000000000 65.380 > 89 106 Zn 0.87500000000000 0.37500000000000 0.75000000000000 65.380 > 89 107 Zn 0.37500000000000 0.87500000000000 0.75000000000000 65.380 > 89 108 Zn 0.87500000000000 0.87500000000000 0.75000000000000 65.380 > 89 109 Zn 0.12500000000000 0.37500000000000 0.75000000000000 65.380 > 93 110 Zn 0.62500000000000 0.37500000000000 0.75000000000000 65.380 > 93 111 Zn 0.12500000000000 0.87500000000000 0.75000000000000 65.380 > 93 112 Zn 0.62500000000000 0.87500000000000 0.75000000000000 65.380 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4914385 0.0000000 0.0000000 0.0000000 4.7308711 0.0000000 0.0000000 0.0000000 4.5614277 -------------------------- Born effective charges -------------------------- 1 O -1.7016247 0.0000000 0.0000000 0.0000000 -2.2225285 0.2409177 0.0000000 0.1923827 -2.1172276 2 O -1.7016247 0.0000000 0.0000000 0.0000000 -2.2225285 -0.2409177 0.0000000 -0.1923827 -2.1172276 3 O -2.2119212 0.0000000 -0.2708081 0.0000000 -2.1732499 0.0000000 -0.2995072 0.0000000 -1.9676517 4 O -2.2119212 0.0000000 0.2708081 0.0000000 -2.1732499 0.0000000 0.2995072 0.0000000 -1.9676517 5 O -2.2119212 0.0000000 0.2708081 0.0000000 -2.1732499 0.0000000 0.2995072 0.0000000 -1.9676517 6 O -2.2119212 0.0000000 -0.2708081 0.0000000 -2.1732499 0.0000000 -0.2995072 0.0000000 -1.9676517 7 O -1.7016247 0.0000000 0.0000000 0.0000000 -2.2225285 -0.2409177 0.0000000 -0.1923827 -2.1172276 8 O -1.7016247 0.0000000 0.0000000 0.0000000 -2.2225285 0.2409177 0.0000000 0.1923827 -2.1172276 9 Sn 3.0914743 0.0000000 0.0000000 0.0000000 4.3587464 0.1707605 0.0000000 0.1554003 3.6554129 10 Sn 3.0914743 0.0000000 0.0000000 0.0000000 4.3587464 -0.1707605 0.0000000 -0.1554003 3.6554129 11 Zn 2.4440635 0.0000000 0.0000000 0.0000000 2.2110150 0.0000000 0.0000000 0.0000000 2.3429395 12 Zn 2.4440635 0.0000000 0.0000000 0.0000000 2.2110150 0.0000000 0.0000000 0.0000000 2.3429395 13 Zn 2.2915539 0.0000000 -0.4079507 0.0000000 2.2217955 0.0000000 -0.4888168 0.0000000 2.1714063 14 Zn 2.2915539 0.0000000 0.4079507 0.0000000 2.2217955 0.0000000 0.4888168 0.0000000 2.1714063 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yzy) 0.00000003 (yzy) 0.00000003 (yyz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 2 8 48 ] Grid generation matrix: [ 0 8 8 ] [ 8 0 8 ] [ 6 6 0 ] 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: 0.76, Number of G-points: 303, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/148) ======================= 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 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 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 2.256 ( 0.000 0.000 0.000) 0.000 2.856 ( 0.000 0.000 0.000) 0.000 3.002 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 0.000) 0.000 4.737 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 5.176 ( 0.000 0.000 0.000) 0.000 7.429 ( 0.000 0.000 0.000) 0.000 7.467 ( 0.000 0.000 0.000) 0.000 8.068 ( 0.000 0.000 0.000) 0.000 8.120 ( 0.000 0.000 0.000) 0.000 8.164 ( 0.000 0.000 0.000) 0.000 9.067 ( 0.000 0.000 0.000) 0.000 9.230 ( 0.000 0.000 0.000) 0.000 9.410 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.461 ( 0.000 0.000 0.000) 0.000 10.718 ( 0.000 0.000 0.000) 0.000 11.108 ( 0.000 0.000 0.000) 0.000 11.284 ( 0.000 0.000 0.000) 0.000 11.806 ( 0.000 0.000 0.000) 0.000 12.824 ( 0.000 0.000 0.000) 0.000 12.989 ( 0.000 0.000 0.000) 0.000 13.491 ( 0.000 0.000 0.000) 0.000 14.055 ( 0.000 0.000 0.000) 0.000 14.083 ( 0.000 0.000 0.000) 0.000 14.615 ( 0.000 0.000 0.000) 0.000 14.665 ( 0.000 0.000 0.000) 0.000 14.954 ( 0.000 0.000 0.000) 0.000 15.588 ( 0.000 0.000 0.000) 0.000 16.063 ( 0.000 0.000 0.000) 0.000 16.515 ( 0.000 0.000 0.000) 0.000 17.476 ( 0.000 0.000 0.000) 0.000 18.394 ( 0.000 0.000 0.000) 0.000 18.681 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/148) ======================= 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 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -0.000 -0.000 -0.000) 0.000 2.324 ( -0.000 -0.000 0.000) 0.000 2.673 ( -0.000 -0.000 -0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 3.832 ( 0.000 0.000 0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 5.024 ( 0.000 0.000 0.000) 0.000 5.183 ( 0.000 0.000 0.000) 0.000 5.552 ( 0.000 0.000 0.000) 0.000 6.011 ( -0.000 -0.000 -0.000) 0.000 6.064 ( 0.000 0.000 0.000) 0.000 6.756 ( 0.000 -0.000 0.000) 0.000 6.870 ( 0.000 0.000 0.000) 0.000 6.921 ( 0.000 0.000 0.000) 0.000 7.547 ( 0.000 0.000 0.000) 0.000 8.478 ( 0.000 0.000 0.000) 0.000 8.879 ( 0.000 -0.000 0.000) 0.000 9.257 ( 0.000 0.000 0.000) 0.000 9.493 ( 0.000 0.000 0.000) 0.000 10.152 ( 0.000 0.000 0.000) 0.000 10.593 ( 0.000 0.000 0.000) 0.000 12.008 ( 0.000 0.000 0.000) 0.000 12.357 ( -0.000 -0.000 0.000) 0.000 12.672 ( -0.000 0.000 -0.000) 0.000 12.854 ( 0.000 0.000 0.000) 0.000 13.670 ( 0.000 0.000 0.000) 0.000 13.687 ( 0.000 0.000 0.000) 0.000 13.982 ( 0.000 0.000 0.000) 0.000 13.984 ( 0.000 0.000 0.000) 0.000 14.303 ( 0.000 0.000 0.000) 0.000 14.588 ( 0.000 0.000 0.000) 0.000 14.942 ( 0.000 0.000 0.000) 0.000 15.216 ( 0.000 0.000 0.000) 0.000 15.717 ( -0.000 -0.000 -0.000) 0.000 16.096 ( 0.000 0.000 0.000) 0.000 17.972 ( 0.000 0.000 0.000) 0.000 18.220 ( -0.000 -0.000 0.000) 0.000 18.297 ( -0.000 -0.000 0.000) 0.000 18.360 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 3 (3/148) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 12.762 -10.801 -9.656) 19.307 2.395 ( 8.988 -3.298 -3.095) 10.062 2.522 ( 10.706 -5.248 -15.976) 19.935 2.954 ( 1.383 5.665 0.862) 5.895 3.100 ( 6.941 16.780 -1.549) 18.225 3.834 ( -1.844 1.009 -1.156) 2.399 4.185 ( -3.974 0.676 0.627) 4.079 4.314 ( -0.325 -3.887 -2.950) 4.890 4.734 ( -7.466 -8.782 3.073) 11.929 4.906 ( -7.329 -2.311 -2.146) 7.979 5.104 ( 3.193 -11.726 -10.675) 16.176 5.417 ( 5.268 -18.414 -10.138) 21.670 5.591 ( 6.036 -13.040 -0.195) 14.371 6.310 ( -0.207 -15.497 -12.420) 19.861 6.737 ( -1.097 24.760 16.737) 29.906 6.917 ( -1.626 3.355 6.635) 7.611 7.289 ( -0.981 21.684 6.587) 22.684 7.723 ( 17.793 -1.276 2.067) 17.958 8.459 ( -5.243 4.804 5.686) 9.105 8.764 ( -0.640 -7.847 -2.683) 8.318 9.357 ( -0.548 8.265 -5.806) 10.115 9.645 ( 8.479 3.716 -3.725) 9.979 10.225 ( 3.465 3.517 -2.607) 5.583 10.657 ( 1.598 5.648 -5.431) 7.996 11.914 ( -5.135 -7.971 -7.156) 11.879 12.017 ( -0.465 -22.879 -0.505) 22.889 12.537 ( -1.021 -3.985 1.824) 4.500 13.052 ( 3.096 -1.239 3.739) 5.010 13.463 ( 2.850 -11.563 -7.601) 14.128 13.694 ( -3.445 3.263 2.232) 5.244 14.011 ( 1.659 4.033 -10.967) 11.802 14.212 ( 1.439 11.784 5.649) 13.147 14.380 ( 2.581 0.981 0.812) 2.878 14.617 ( 0.760 -5.438 1.269) 5.636 14.855 ( 7.270 -4.769 5.345) 10.206 15.236 ( 1.051 -2.206 -4.834) 5.416 15.749 ( -0.094 3.677 -12.666) 13.189 16.145 ( 1.352 3.841 2.863) 4.978 17.793 ( -2.512 -10.847 2.737) 11.466 18.104 ( -4.674 -10.000 -0.879) 11.073 18.330 ( -1.568 8.216 0.802) 8.403 18.468 ( -2.123 9.248 3.273) 10.037 ======================= Grid point 4 (4/148) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 21.049 24.803 0.000) 32.530 1.009 ( 26.764 20.841 0.000) 33.921 1.678 ( 33.139 48.012 0.000) 58.338 2.391 ( 11.865 0.089 0.000) 11.866 2.922 ( 4.322 1.212 0.000) 4.489 3.075 ( 3.368 3.258 0.000) 4.686 4.301 ( -10.798 -8.236 -0.000) 13.580 4.428 ( -1.587 7.417 -0.000) 7.585 4.556 ( 0.209 -0.479 0.000) 0.523 4.638 ( 8.215 -2.947 0.000) 8.728 4.761 ( -1.802 4.285 -0.000) 4.648 4.767 ( -10.868 7.103 -0.000) 12.983 4.832 ( 3.266 -3.743 0.000) 4.967 5.552 ( 12.833 8.761 0.000) 15.538 7.486 ( 9.756 -15.361 0.000) 18.197 7.798 ( 16.741 4.324 0.000) 17.290 7.970 ( -6.257 -2.946 -0.000) 6.916 7.992 ( -3.790 -11.809 -0.000) 12.402 8.214 ( 2.998 5.006 0.000) 5.835 9.110 ( -2.301 -9.316 -0.000) 9.596 9.208 ( 3.983 9.103 0.000) 9.936 9.822 ( 30.470 -24.400 0.000) 39.035 10.362 ( 5.805 -3.898 0.000) 6.992 10.363 ( -0.789 -6.082 -0.000) 6.133 10.884 ( -3.874 14.432 -0.000) 14.943 11.321 ( 0.264 5.942 0.000) 5.948 11.997 ( 2.240 15.313 0.000) 15.476 12.930 ( 6.851 0.435 0.000) 6.865 13.076 ( -25.153 26.618 -0.000) 36.622 13.118 ( 5.949 7.087 0.000) 9.253 13.741 ( -26.455 28.653 -0.000) 38.999 14.042 ( 2.629 -6.355 0.000) 6.877 14.252 ( 0.533 17.009 0.000) 17.017 14.690 ( 8.869 -1.303 0.000) 8.964 14.920 ( 1.858 -5.118 0.000) 5.445 15.527 ( -2.685 -3.299 -0.000) 4.253 16.055 ( -2.124 1.608 -0.000) 2.664 16.353 ( 9.224 -9.955 0.000) 13.571 17.494 ( -2.888 4.570 -0.000) 5.406 17.746 ( -2.493 -0.845 -0.000) 2.632 18.351 ( -2.652 -1.424 -0.000) 3.010 18.655 ( -0.348 -2.410 -0.000) 2.435 ======================= Grid point 5 (5/148) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 16.806 20.740 0.000) 26.694 1.908 ( 21.860 17.392 0.000) 27.935 2.678 ( 14.204 -0.153 0.000) 14.205 3.028 ( 4.305 -0.994 0.000) 4.418 3.221 ( 18.243 17.773 0.000) 25.469 3.300 ( 19.108 29.285 0.000) 34.968 4.015 ( -6.037 -0.302 -0.000) 6.045 4.428 ( -2.765 -1.424 -0.000) 3.110 4.510 ( 0.549 -7.939 -0.000) 7.958 4.648 ( -13.466 7.277 -0.000) 15.307 4.804 ( 4.139 -0.978 0.000) 4.253 4.950 ( 6.354 7.470 0.000) 9.807 4.979 ( -0.098 23.894 0.000) 23.894 5.869 ( 6.810 1.239 0.000) 6.922 7.313 ( 0.987 -11.964 -0.000) 12.005 7.545 ( -8.184 -14.932 -0.000) 17.028 7.682 ( -10.530 -8.344 -0.000) 13.435 8.308 ( 23.220 -4.064 0.000) 23.573 8.401 ( 2.047 7.177 0.000) 7.464 8.763 ( -7.088 -15.846 -0.000) 17.359 9.590 ( 17.434 6.100 0.000) 18.471 10.060 ( 21.903 -7.482 0.000) 23.145 10.245 ( 0.609 -4.491 0.000) 4.532 10.468 ( 8.429 2.452 0.000) 8.779 10.942 ( -14.164 10.649 -0.000) 17.720 11.614 ( 3.465 15.881 0.000) 16.254 12.415 ( 0.984 20.083 0.000) 20.107 13.094 ( -11.684 14.514 -0.000) 18.632 13.100 ( 8.029 0.237 0.000) 8.032 13.348 ( 1.101 4.138 0.000) 4.282 13.834 ( -10.500 19.124 -0.000) 21.817 13.990 ( 9.287 -9.455 0.000) 13.253 14.703 ( 4.348 22.049 0.000) 22.473 14.789 ( 3.647 -9.917 0.000) 10.566 15.011 ( 18.809 1.321 0.000) 18.856 15.340 ( -5.711 -6.893 -0.000) 8.951 16.051 ( -2.923 3.382 -0.000) 4.470 16.329 ( 3.591 -6.172 0.000) 7.141 17.529 ( -5.181 7.279 -0.000) 8.934 17.669 ( -0.489 -3.061 -0.000) 3.100 18.235 ( -4.764 -2.065 -0.000) 5.193 18.556 ( -1.888 -5.578 -0.000) 5.889 ======================= Grid point 6 (6/148) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 8.607 -12.914 -14.491) 21.233 2.639 ( 17.445 -7.692 -11.085) 22.054 2.787 ( 14.193 -2.007 -9.436) 17.161 2.973 ( -4.214 -1.362 -5.173) 6.810 3.486 ( 0.939 3.984 -0.546) 4.130 3.809 ( -3.504 -1.585 -0.378) 3.864 3.947 ( -1.352 -0.257 -5.238) 5.416 4.215 ( -0.492 -6.270 -5.553) 8.390 4.466 ( -2.109 -3.470 3.957) 5.670 4.743 ( -3.824 -0.494 -0.278) 3.866 5.045 ( 7.465 -17.531 -15.703) 24.691 5.196 ( 4.229 -3.189 -0.957) 5.382 5.499 ( 4.702 -6.362 -5.267) 9.503 6.060 ( 0.289 -9.851 -6.476) 11.792 6.900 ( -5.576 3.600 12.663) 14.297 7.132 ( -2.194 14.202 13.568) 19.764 7.576 ( -4.392 11.555 3.031) 12.728 8.203 ( 23.658 2.631 3.984) 24.135 8.531 ( -3.990 10.884 7.564) 13.842 8.623 ( 6.183 -6.820 -6.037) 11.008 9.544 ( 1.336 9.317 -7.368) 11.953 9.864 ( 2.830 5.417 -0.459) 6.129 10.369 ( 3.147 1.562 -3.821) 5.191 10.916 ( 7.032 8.210 -11.044) 15.454 11.386 ( -5.538 -21.276 -6.187) 22.839 11.711 ( -5.687 -9.705 -1.790) 11.389 12.411 ( 5.266 -13.738 -0.798) 14.734 12.931 ( -5.539 -2.303 1.472) 6.176 13.390 ( 3.702 -6.215 -4.710) 8.632 13.600 ( -3.087 -7.586 4.489) 9.340 14.113 ( -4.539 -7.472 -15.171) 17.510 14.256 ( 5.716 5.541 -8.481) 11.632 14.464 ( -1.379 9.903 6.700) 12.036 14.679 ( 9.600 -1.856 8.028) 12.651 15.026 ( 9.647 -2.351 10.150) 14.199 15.134 ( -0.509 -6.067 -9.241) 11.066 15.875 ( 1.578 7.233 -17.080) 18.615 16.321 ( 4.539 7.734 0.328) 8.973 17.498 ( -4.789 -10.904 4.249) 12.644 17.736 ( -8.431 -12.152 0.351) 14.795 18.426 ( -2.141 5.408 1.893) 6.117 18.646 ( -0.740 11.016 3.084) 11.463 ======================= Grid point 7 (7/148) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 8.049 -5.618 -10.990) 14.735 2.446 ( 1.630 -24.534 -15.244) 28.930 2.843 ( -3.285 -3.091 -4.758) 6.556 2.963 ( 6.667 -2.217 -1.354) 7.155 3.411 ( -5.165 0.025 2.849) 5.898 3.683 ( -2.055 -0.263 3.058) 3.694 4.086 ( -0.369 -1.594 -1.053) 1.945 4.166 ( 3.338 -1.434 -2.966) 4.690 4.542 ( 4.125 8.566 -3.162) 10.019 4.714 ( 0.003 0.790 0.816) 1.136 4.871 ( 13.239 -9.393 -11.204) 19.724 5.312 ( -0.470 -0.222 -6.500) 6.521 5.472 ( 0.331 -4.643 -4.197) 6.268 5.976 ( 6.183 -2.254 -0.828) 6.633 6.768 ( -9.762 0.552 13.212) 16.437 7.243 ( -4.535 4.143 8.379) 10.390 7.633 ( -4.087 5.582 1.665) 7.116 8.393 ( -0.181 -3.237 -2.203) 3.920 8.719 ( -0.595 12.791 4.711) 13.644 9.064 ( 33.775 0.016 2.262) 33.851 9.746 ( 1.317 6.796 -4.183) 8.089 9.995 ( -1.780 6.712 -1.003) 7.016 10.351 ( -7.088 -2.928 -5.821) 9.628 10.787 ( -3.308 -13.778 -4.103) 14.751 11.259 ( 2.455 0.093 -5.879) 6.372 11.400 ( -5.760 -6.543 -0.747) 8.749 12.232 ( 3.956 -12.492 -2.127) 13.275 12.843 ( -3.583 5.752 -1.341) 6.908 13.302 ( 0.150 -7.663 -0.771) 7.703 13.346 ( 0.331 -9.769 1.177) 9.845 14.003 ( -0.228 0.425 -12.146) 12.155 14.487 ( 5.035 4.049 -4.476) 7.860 14.589 ( 0.384 3.737 3.231) 4.955 14.756 ( 2.916 -5.169 0.397) 5.949 14.941 ( -1.998 -2.894 1.216) 3.721 15.243 ( 7.702 0.333 8.397) 11.399 16.085 ( 3.962 7.524 -16.484) 18.548 16.619 ( 7.396 8.534 -2.664) 11.603 17.156 ( -9.300 -8.052 5.496) 13.473 17.325 ( -6.444 -12.247 2.475) 14.058 18.469 ( -1.473 2.888 1.393) 3.528 18.837 ( 0.367 7.315 1.973) 7.585 ======================= Grid point 8 (8/148) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 10.526 14.881 0.000) 18.228 2.565 ( 12.573 11.248 0.000) 16.870 2.901 ( 7.973 -1.606 0.000) 8.133 3.044 ( 0.984 -2.804 0.000) 2.972 3.534 ( 13.903 2.298 0.000) 14.091 4.036 ( 0.361 5.366 0.000) 5.378 4.291 ( -3.778 -7.858 -0.000) 8.719 4.328 ( -2.756 -1.422 -0.000) 3.101 4.516 ( -11.938 6.656 -0.000) 13.668 4.599 ( 21.847 33.081 0.000) 39.644 4.769 ( -2.628 -4.966 -0.000) 5.619 5.355 ( 11.707 11.533 0.000) 16.433 5.526 ( 0.795 26.365 0.000) 26.377 5.867 ( -0.234 -8.272 -0.000) 8.275 6.975 ( -7.125 -14.167 -0.000) 15.858 7.226 ( -10.993 -13.537 -0.000) 17.439 7.283 ( 4.731 -3.188 0.000) 5.704 8.193 ( -12.773 -18.958 -0.000) 22.859 8.550 ( -1.610 6.696 -0.000) 6.887 8.553 ( 12.114 -6.747 0.000) 13.866 10.073 ( 28.975 -7.827 0.000) 30.014 10.225 ( 1.907 -0.530 0.000) 1.979 10.263 ( 6.168 -2.731 0.000) 6.746 10.778 ( -21.704 10.844 -0.000) 24.262 10.981 ( 22.491 14.124 0.000) 26.558 11.899 ( -4.007 9.215 -0.000) 10.049 12.706 ( -3.735 10.560 -0.000) 11.201 13.041 ( -1.780 -12.374 -0.000) 12.501 13.238 ( -8.615 21.385 -0.000) 23.055 13.489 ( 7.110 0.783 0.000) 7.153 14.049 ( -3.939 16.799 -0.000) 17.255 14.094 ( 13.332 -1.754 0.000) 13.446 14.606 ( 2.434 -13.835 0.000) 14.047 15.004 ( -9.161 -10.919 -0.000) 14.253 15.262 ( 4.429 22.474 0.000) 22.906 15.503 ( 21.589 0.569 0.000) 21.597 16.049 ( -4.920 3.837 -0.000) 6.240 16.241 ( 1.130 -7.795 0.000) 7.877 17.578 ( -4.259 7.787 -0.000) 8.876 17.629 ( 2.117 -2.422 0.000) 3.217 18.102 ( -4.886 0.106 -0.000) 4.887 18.350 ( -3.577 -8.878 -0.000) 9.571 ======================= Grid point 9 (9/148) ======================= 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 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( -1.436 -2.498 -0.000) 2.881 2.812 ( 1.436 2.498 0.000) 2.881 2.966 ( -4.036 -0.001 -0.000) 4.036 2.966 ( 4.036 0.001 0.000) 4.036 3.887 ( -13.424 -3.220 -0.000) 13.804 3.887 ( 13.424 3.220 0.000) 13.804 4.277 ( -2.232 -0.127 -0.000) 2.236 4.277 ( 2.232 0.127 0.000) 2.236 4.531 ( -0.974 -9.941 -0.000) 9.989 4.531 ( 0.974 9.941 0.000) 9.989 5.454 ( -10.003 -17.856 -0.000) 20.467 5.454 ( 10.003 17.856 0.000) 20.467 5.792 ( -9.163 2.717 -0.000) 9.557 5.792 ( 9.163 -2.717 0.000) 9.557 6.800 ( -3.814 -7.039 -0.000) 8.006 6.800 ( 3.814 7.039 0.000) 8.006 7.574 ( -13.583 -11.847 -0.000) 18.024 7.574 ( 13.583 11.847 0.000) 18.024 8.602 ( 5.855 -6.367 0.000) 8.650 8.602 ( -5.855 6.367 -0.000) 8.650 10.268 ( -0.550 -1.232 -0.000) 1.350 10.268 ( 0.550 1.232 0.000) 1.350 10.480 ( -28.530 11.869 -0.000) 30.901 10.480 ( 28.530 -11.869 0.000) 30.901 11.688 ( -19.187 -6.871 -0.000) 20.380 11.688 ( 19.187 6.871 0.000) 20.380 12.798 ( 3.320 -10.131 0.000) 10.661 12.798 ( -3.320 10.131 -0.000) 10.661 13.478 ( 8.568 -17.485 0.000) 19.471 13.478 ( -8.568 17.485 -0.000) 19.471 14.307 ( 3.646 -14.115 0.000) 14.578 14.307 ( -3.646 14.115 -0.000) 14.578 14.545 ( -10.963 -10.207 -0.000) 14.979 14.545 ( 10.963 10.207 0.000) 14.979 15.682 ( 6.702 -17.290 0.000) 18.543 15.682 ( -6.702 17.290 -0.000) 18.543 16.076 ( 3.143 -11.098 0.000) 11.534 16.076 ( -3.143 11.098 -0.000) 11.534 17.634 ( 2.764 -3.651 0.000) 4.579 17.634 ( -2.764 3.651 -0.000) 4.579 18.116 ( -0.375 -7.497 -0.000) 7.506 18.116 ( 0.375 7.497 0.000) 7.506 ======================= Grid point 11 (10/148) ======================= 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 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 0.000 0.000 -0.000) 0.000 2.166 ( 0.000 0.000 -0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.995 ( 0.000 0.000 -0.000) 0.000 3.346 ( 0.000 0.000 -0.000) 0.000 3.665 ( 0.000 0.000 -0.000) 0.000 4.006 ( 0.000 0.000 -0.000) 0.000 4.197 ( 0.000 0.000 -0.000) 0.000 4.729 ( 0.000 0.000 -0.000) 0.000 4.739 ( 0.000 0.000 -0.000) 0.000 5.128 ( 0.000 0.000 -0.000) 0.000 5.153 ( -0.000 -0.000 0.000) 0.000 5.365 ( 0.000 0.000 -0.000) 0.000 6.079 ( 0.000 -0.000 0.000) 0.000 6.644 ( 0.000 0.000 -0.000) 0.000 7.202 ( 0.000 0.000 -0.000) 0.000 7.652 ( 0.000 0.000 0.000) 0.000 8.350 ( 0.000 0.000 -0.000) 0.000 8.847 ( 0.000 0.000 -0.000) 0.000 9.681 ( -0.000 -0.000 -0.000) 0.000 9.836 ( 0.000 -0.000 0.000) 0.000 9.908 ( 0.000 0.000 0.000) 0.000 10.099 ( 0.000 0.000 -0.000) 0.000 10.653 ( 0.000 0.000 -0.000) 0.000 11.209 ( 0.000 -0.000 0.000) 0.000 11.301 ( 0.000 0.000 -0.000) 0.000 12.137 ( 0.000 0.000 -0.000) 0.000 12.980 ( 0.000 0.000 -0.000) 0.000 13.119 ( 0.000 0.000 -0.000) 0.000 13.271 ( 0.000 0.000 -0.000) 0.000 14.018 ( 0.000 -0.000 0.000) 0.000 14.615 ( 0.000 0.000 -0.000) 0.000 14.639 ( 0.000 0.000 0.000) 0.000 14.661 ( -0.000 0.000 -0.000) 0.000 14.908 ( -0.000 -0.000 0.000) 0.000 15.336 ( 0.000 0.000 -0.000) 0.000 16.251 ( 0.000 0.000 -0.000) 0.000 16.878 ( 0.000 0.000 -0.000) 0.000 16.944 ( -0.000 -0.000 0.000) 0.000 17.021 ( 0.000 0.000 -0.000) 0.000 18.483 ( 0.000 0.000 -0.000) 0.000 18.918 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 19 (11/148) ======================= q-point: (-0.15 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -0.000 -15.022 -23.795) 28.140 0.915 ( -0.000 -23.527 -21.250) 31.703 1.779 ( -0.000 -51.845 -36.494) 63.401 2.270 ( -0.000 0.633 -1.550) 1.674 2.930 ( -0.000 -1.223 -5.430) 5.566 3.102 ( -0.000 -2.038 -6.166) 6.494 4.294 ( 0.000 6.028 11.204) 12.723 4.466 ( -0.000 -10.098 2.094) 10.313 4.542 ( -0.000 -1.423 -5.021) 5.219 4.594 ( -0.000 -1.636 -1.361) 2.128 4.664 ( 0.000 13.659 0.966) 13.693 4.799 ( -0.000 -2.526 -1.366) 2.872 5.216 ( -0.000 -7.966 -17.511) 19.238 5.345 ( -0.000 -13.237 3.091) 13.593 7.246 ( 0.000 8.814 1.506) 8.942 7.583 ( 0.000 -6.670 3.391) 7.483 7.981 ( 0.000 11.270 5.914) 12.727 8.126 ( 0.000 12.325 -1.851) 12.463 8.229 ( -0.000 -5.975 -4.838) 7.688 9.171 ( -0.000 8.834 -5.195) 10.248 9.234 ( -0.000 1.421 -1.924) 2.391 9.391 ( -0.000 5.699 -4.568) 7.304 10.321 ( -0.000 0.194 -1.206) 1.221 10.482 ( -0.000 6.610 -9.593) 11.650 10.977 ( -0.000 -10.900 -4.629) 11.842 11.382 ( -0.000 -4.077 -6.298) 7.503 11.972 ( -0.000 -15.257 0.015) 15.257 12.869 ( -0.000 -2.814 -2.030) 3.470 13.068 ( -0.000 -3.432 -2.191) 4.072 13.370 ( -0.000 -3.163 -6.097) 6.868 14.026 ( -0.000 2.527 -0.887) 2.678 14.261 ( -0.000 -9.057 -8.351) 12.319 14.499 ( 0.000 1.820 6.139) 6.403 14.705 ( 0.000 -52.275 52.137) 73.831 14.711 ( -0.000 3.060 -3.951) 4.997 14.881 ( 0.000 5.143 1.992) 5.515 15.600 ( -0.000 2.121 -3.251) 3.881 16.434 ( 0.000 3.999 -0.907) 4.101 17.523 ( -0.000 -4.557 0.007) 4.557 17.820 ( -0.000 -5.994 0.783) 6.045 18.644 ( 0.000 3.233 0.616) 3.291 18.813 ( -0.000 20.588 -17.066) 26.742 ======================= Grid point 20 (12/148) ======================= q-point: ( 0.35 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 0.000 16.100 11.283) 19.660 2.157 ( 0.000 22.939 8.131) 24.338 2.264 ( 0.000 0.978 0.163) 0.991 2.948 ( -0.000 -5.331 -0.217) 5.336 3.054 ( -0.000 -7.262 -3.837) 8.213 3.910 ( -0.000 -0.769 -6.064) 6.112 4.190 ( 0.000 21.844 11.082) 24.495 4.228 ( -0.000 -5.467 -0.192) 5.471 4.814 ( 0.000 10.963 8.706) 13.999 4.821 ( 0.000 3.979 10.973) 11.672 4.843 ( 0.000 10.227 4.923) 11.350 5.240 ( 0.000 16.509 2.314) 16.670 5.639 ( -0.000 5.417 -9.363) 10.817 6.045 ( 0.000 18.076 14.722) 23.312 6.947 ( 0.000 -5.021 1.769) 5.323 7.053 ( -0.000 -24.509 -13.237) 27.855 7.454 ( -0.000 -22.307 -7.041) 23.392 7.611 ( -0.000 -0.077 -5.288) 5.288 8.607 ( -0.000 -8.912 -3.428) 9.548 8.726 ( 0.000 11.388 3.057) 11.791 9.222 ( 0.000 -7.061 8.736) 11.232 9.465 ( -0.000 4.167 -1.553) 4.447 10.239 ( -0.000 -1.153 -5.432) 5.553 10.501 ( 0.000 -1.180 9.817) 9.888 11.818 ( 0.000 6.354 10.160) 11.983 11.938 ( 0.000 25.576 4.010) 25.888 12.647 ( -0.000 11.731 -6.916) 13.617 13.066 ( -0.000 -7.205 -2.658) 7.680 13.278 ( 0.000 15.858 7.886) 17.710 13.727 ( 0.000 -9.035 5.630) 10.646 13.824 ( 0.000 9.308 4.633) 10.398 14.261 ( -0.000 -7.430 -4.683) 8.783 14.412 ( -0.000 -9.591 -2.803) 9.992 14.621 ( 0.000 -4.534 1.640) 4.821 14.868 ( 0.000 12.339 -1.358) 12.413 15.182 ( -0.000 5.528 -5.022) 7.469 15.580 ( 0.000 2.118 2.291) 3.120 16.274 ( -0.000 -1.458 -8.894) 9.012 17.834 ( 0.000 8.801 1.078) 8.867 18.112 ( 0.000 6.196 4.617) 7.727 18.345 ( -0.000 -9.975 1.783) 10.133 18.502 ( -0.000 -7.864 1.243) 7.961 ======================= Grid point 21 (13/148) ======================= q-point: ( 0.35 -0.02 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 17.166 7.048 2.627) 18.741 2.453 ( 8.317 5.827 -1.634) 10.286 2.674 ( 5.078 22.885 -0.274) 23.443 2.880 ( 3.261 -6.648 -4.242) 8.534 2.981 ( 5.719 -1.577 -9.280) 11.014 3.898 ( -0.645 0.766 -6.845) 6.918 4.157 ( -1.834 -0.325 0.847) 2.046 4.334 ( -2.327 0.907 1.113) 2.734 4.727 ( -6.789 -0.934 6.480) 9.431 4.935 ( -2.142 -0.487 2.093) 3.034 5.163 ( 2.645 7.997 4.802) 9.696 5.562 ( -3.295 13.746 4.179) 14.740 5.899 ( 7.950 14.781 5.153) 17.557 6.293 ( 4.053 -7.830 -0.967) 8.869 6.622 ( -7.885 0.238 -1.512) 8.033 6.890 ( -0.670 -10.872 -5.408) 12.161 6.987 ( 2.440 -12.097 -0.449) 12.349 7.758 ( 16.173 -2.086 -2.033) 16.433 8.401 ( -5.841 -5.608 1.434) 8.223 8.887 ( 0.640 2.434 -2.206) 3.347 9.170 ( -0.617 4.119 7.058) 8.195 9.688 ( 8.920 4.636 -7.806) 12.728 10.276 ( 3.007 2.234 -7.691) 8.555 10.553 ( 2.375 5.401 4.596) 7.479 11.868 ( -5.064 4.519 8.911) 11.201 12.367 ( -0.394 14.876 4.010) 15.412 12.544 ( -6.571 -14.500 -7.243) 17.489 13.063 ( 11.381 -5.912 -0.220) 12.827 13.528 ( -6.150 7.120 7.372) 11.953 13.679 ( 0.539 7.034 -0.669) 7.086 13.984 ( -0.334 7.583 -0.826) 7.635 14.074 ( 2.370 -8.747 -3.915) 9.872 14.361 ( 4.464 -1.523 1.499) 4.949 14.659 ( 7.996 -0.115 -0.262) 8.001 14.994 ( 0.521 -6.454 -3.482) 7.352 15.243 ( 3.321 4.525 -0.102) 5.614 15.712 ( -0.277 9.827 -4.330) 10.743 16.252 ( -0.731 0.061 -11.739) 11.762 17.886 ( -2.726 -4.158 5.752) 7.603 18.160 ( -3.303 5.930 6.094) 9.122 18.235 ( -1.786 2.289 1.980) 3.514 18.308 ( -2.866 -9.357 0.134) 9.786 ======================= Grid point 22 (14/148) ======================= q-point: (-0.15 -0.02 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 20.881 0.000 -18.002) 27.570 0.851 ( 14.366 0.000 -27.078) 30.653 1.688 ( 43.406 0.000 -38.146) 57.786 2.412 ( 11.630 0.000 -2.188) 11.834 2.880 ( -1.548 -0.000 -0.261) 1.569 3.180 ( 7.731 0.000 -11.053) 13.489 4.269 ( -5.498 -0.000 13.887) 14.935 4.326 ( -0.938 -0.000 -0.479) 1.053 4.505 ( -17.264 -0.000 0.181) 17.265 4.559 ( 0.800 -0.000 1.212) 1.452 4.734 ( 3.179 0.000 -0.685) 3.252 4.832 ( 0.232 0.000 -2.351) 2.362 5.142 ( 0.829 0.000 -15.902) 15.923 5.416 ( 17.530 0.000 2.508) 17.708 7.532 ( 5.540 -0.000 11.687) 12.933 7.710 ( 22.470 0.000 1.655) 22.531 8.045 ( -4.153 -0.000 6.383) 7.615 8.124 ( -13.366 -0.000 -2.601) 13.617 8.199 ( 2.422 0.000 -3.856) 4.553 9.122 ( -0.437 0.000 -5.229) 5.247 9.250 ( -2.602 0.000 -1.693) 3.105 9.971 ( 16.467 -0.000 15.406) 22.550 10.410 ( 7.309 0.000 3.514) 8.109 10.477 ( -2.562 0.000 -3.783) 4.569 11.125 ( -0.784 0.000 -2.666) 2.779 11.316 ( -2.108 0.000 -5.284) 5.689 11.843 ( 2.864 0.000 -0.701) 2.948 12.439 ( -24.525 0.000 -37.256) 44.603 12.952 ( 9.343 0.000 -1.604) 9.480 13.144 ( 3.837 0.000 -11.329) 11.961 13.447 ( -2.468 -0.000 1.711) 3.003 14.130 ( 1.841 0.000 -2.430) 3.049 14.207 ( 2.145 0.000 -12.087) 12.276 14.694 ( 8.594 0.000 1.316) 8.695 14.944 ( 1.022 -0.000 2.809) 2.989 15.424 ( 26.994 -0.000 33.208) 42.795 15.607 ( -1.032 0.000 -3.331) 3.487 16.500 ( 0.734 -0.000 1.568) 1.731 17.446 ( -2.971 -0.000 0.216) 2.979 17.681 ( -3.742 -0.000 2.876) 4.720 18.646 ( -3.546 -0.000 -0.643) 3.604 18.849 ( -13.595 0.000 -17.738) 22.349 ======================= Grid point 23 (15/148) ======================= q-point: (-0.15 -0.02 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 24.881 13.749 -0.452) 28.431 1.593 ( 16.807 26.307 -13.645) 34.069 2.696 ( 14.926 -0.237 -0.638) 14.941 2.790 ( 34.064 12.845 -16.103) 39.807 2.943 ( 8.677 7.613 0.110) 11.544 3.362 ( 8.759 0.259 -11.958) 14.825 4.017 ( -9.043 -4.885 4.726) 11.312 4.270 ( -8.948 3.484 9.428) 13.457 4.412 ( -2.025 9.567 0.225) 9.781 4.599 ( 0.165 0.758 -0.429) 0.886 4.701 ( -2.928 3.443 0.543) 4.552 4.939 ( 4.965 0.144 -9.563) 10.775 5.083 ( 2.134 -2.655 -12.337) 12.798 5.819 ( 12.621 3.488 0.925) 13.127 7.451 ( -2.752 -7.844 8.016) 11.548 7.734 ( -11.004 -7.909 4.953) 14.428 7.800 ( -11.423 -3.987 -1.066) 12.146 8.308 ( 4.440 3.543 -1.107) 5.787 8.397 ( 32.146 -3.380 0.813) 32.333 8.993 ( -4.445 -10.348 3.573) 11.816 9.368 ( 9.567 8.145 -1.472) 12.650 10.131 ( 11.693 -6.052 8.069) 15.443 10.328 ( -3.010 -2.070 -0.478) 3.684 10.618 ( 5.871 -0.614 -2.849) 6.555 10.908 ( -0.393 -5.268 -9.783) 11.118 11.362 ( -0.066 10.119 -2.774) 10.493 12.066 ( 3.944 13.525 -0.637) 14.103 12.701 ( -9.830 25.009 -7.291) 27.843 13.151 ( 7.696 0.903 -3.604) 8.546 13.341 ( 4.887 5.303 -9.378) 11.830 13.475 ( -6.072 12.385 1.357) 13.860 14.168 ( 7.247 -5.165 -2.498) 9.243 14.397 ( 3.534 12.764 -8.172) 15.563 14.898 ( 6.095 -4.121 3.047) 7.963 14.956 ( 9.469 -0.667 4.617) 10.556 15.510 ( -2.272 -3.545 -6.718) 7.929 15.746 ( 6.650 0.353 21.637) 22.639 16.469 ( 1.916 -4.800 -0.491) 5.192 17.407 ( -5.606 4.949 0.156) 7.479 17.646 ( -3.428 2.561 6.087) 7.441 18.465 ( -5.941 -5.031 -10.716) 13.246 18.679 ( -0.968 -4.676 -5.332) 7.158 ======================= Grid point 24 (16/148) ======================= q-point: (-0.65 -0.02 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 4.118 -7.517 -9.073) 12.481 2.726 ( 18.699 0.947 -0.407) 18.727 2.949 ( 4.749 3.886 -5.009) 7.921 3.142 ( 9.819 3.529 -11.445) 15.488 3.279 ( 6.483 16.263 1.057) 17.539 3.872 ( -2.467 0.488 -6.298) 6.782 4.024 ( -8.240 -6.396 2.210) 10.663 4.327 ( 0.345 2.478 2.252) 3.366 4.470 ( -8.408 -7.209 0.355) 11.081 4.772 ( -7.336 -2.808 -0.610) 7.879 5.320 ( 7.851 -1.396 -2.315) 8.303 5.610 ( -1.419 -2.385 -1.664) 3.236 5.857 ( 3.928 -24.802 -11.268) 27.523 6.352 ( -7.041 1.540 5.264) 8.925 6.484 ( -2.045 1.653 5.198) 5.826 6.706 ( 4.584 3.882 9.909) 11.587 7.273 ( 4.238 16.664 -2.811) 17.423 8.049 ( 2.503 2.359 3.532) 4.930 8.284 ( 10.665 -0.980 6.240) 12.395 8.905 ( 8.592 -6.951 -7.213) 13.198 9.303 ( -4.933 12.928 5.816) 15.010 9.906 ( 3.091 4.681 -12.104) 13.341 10.399 ( 3.005 2.048 -2.303) 4.304 10.886 ( 11.796 11.320 -6.827) 17.717 11.772 ( -9.101 0.343 6.648) 11.276 11.977 ( -10.174 -21.172 -7.215) 24.572 12.559 ( 5.177 -1.031 1.666) 5.536 13.008 ( 0.933 -13.094 4.995) 14.046 13.499 ( -5.450 4.093 8.167) 10.637 13.674 ( 1.232 -8.043 -8.163) 11.525 14.107 ( -0.069 6.513 4.621) 7.986 14.280 ( 6.581 11.517 -6.304) 14.686 14.460 ( 1.298 1.540 -2.954) 3.575 14.625 ( 0.293 -7.843 0.003) 7.848 14.978 ( 9.502 -4.525 -0.001) 10.524 15.372 ( 3.718 -2.479 -5.522) 7.104 15.935 ( 0.387 11.579 -6.528) 13.298 16.282 ( 0.319 5.196 -11.260) 12.405 17.636 ( -3.221 -11.912 6.207) 13.813 17.983 ( -6.853 -12.056 0.214) 13.869 18.274 ( -1.717 5.096 2.338) 5.864 18.301 ( -1.552 11.052 8.072) 13.773 ======================= Grid point 25 (17/148) ======================= q-point: (-0.65 -0.02 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 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 0.822 -7.859 -10.267) 12.956 2.948 ( -1.908 0.763 -2.447) 3.195 3.097 ( 8.040 -3.364 -8.890) 12.449 3.245 ( -4.545 -22.735 -4.725) 23.662 3.374 ( 0.641 2.349 -4.577) 5.185 3.687 ( -3.912 -1.852 -0.815) 4.404 4.002 ( 1.350 9.332 2.141) 9.669 4.232 ( -4.203 -2.958 -0.065) 5.140 4.383 ( 2.999 0.338 4.789) 5.661 4.666 ( -1.924 2.898 -1.525) 3.798 5.239 ( 2.433 -13.994 -2.188) 14.372 5.426 ( -7.155 -7.361 4.667) 11.276 5.711 ( 3.332 -6.184 -9.804) 12.060 6.064 ( -3.850 -1.324 -2.468) 4.761 6.564 ( -0.530 3.284 5.923) 6.793 6.981 ( 9.004 4.386 8.604) 13.204 7.479 ( -4.080 5.689 -0.878) 7.056 8.285 ( 2.148 19.843 4.836) 20.536 8.478 ( 3.128 -2.174 1.340) 4.038 9.142 ( 27.959 -6.366 -4.492) 29.024 9.447 ( -7.715 14.539 6.774) 17.798 10.040 ( -1.373 7.021 -14.242) 15.938 10.460 ( -0.328 0.322 -1.740) 1.799 11.223 ( -2.539 -11.211 -7.600) 13.780 11.368 ( -4.666 -5.080 -4.803) 8.405 11.530 ( -6.241 -6.256 3.538) 9.519 12.553 ( 5.730 -14.517 -0.507) 15.615 12.736 ( -5.912 -1.332 4.360) 7.466 13.412 ( -3.462 -3.177 4.787) 6.708 13.544 ( 2.741 -10.219 -1.003) 10.628 14.018 ( -8.868 -1.560 6.308) 10.994 14.485 ( -1.616 7.849 -7.856) 11.222 14.633 ( 5.778 3.868 -10.321) 12.445 14.703 ( 5.866 4.097 1.737) 7.363 14.994 ( 4.204 -9.875 8.102) 13.447 15.306 ( 2.997 -6.362 -8.131) 10.750 16.147 ( -3.805 12.333 -10.287) 16.505 16.499 ( 3.114 10.849 -5.846) 12.711 17.301 ( -3.863 -14.109 3.606) 15.066 17.585 ( -4.427 -14.000 -0.437) 14.690 18.344 ( -0.748 4.682 4.195) 6.331 18.535 ( 1.241 11.422 7.798) 13.886 ======================= Grid point 26 (18/148) ======================= q-point: (-0.15 -0.02 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 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 16.922 13.666 0.906) 21.769 2.410 ( 16.610 17.245 -9.723) 25.843 2.910 ( 5.719 0.261 1.544) 5.929 3.090 ( 9.623 0.945 3.287) 10.213 3.504 ( 8.077 0.063 -3.588) 8.838 3.781 ( 2.867 8.235 5.225) 10.166 4.026 ( 11.228 13.123 -1.071) 17.304 4.170 ( -5.431 3.288 6.365) 8.990 4.494 ( -2.040 1.484 -2.504) 3.555 4.593 ( 1.211 5.154 -11.161) 12.353 4.745 ( -1.428 1.752 3.036) 3.785 5.126 ( 5.400 13.321 -4.628) 15.100 5.269 ( 8.402 8.081 -11.003) 16.030 6.004 ( 5.338 -4.225 0.171) 6.810 7.162 ( -10.904 -9.547 8.234) 16.669 7.348 ( -5.468 -6.148 3.218) 8.835 7.451 ( -10.004 -8.560 -2.056) 13.326 8.461 ( 1.545 4.944 -1.261) 5.331 8.557 ( -8.415 -19.006 3.041) 21.007 8.776 ( 17.523 -10.502 -4.799) 20.985 9.867 ( 19.120 0.319 13.370) 23.333 10.180 ( -0.468 -2.932 12.612) 12.957 10.363 ( 1.511 10.785 -7.061) 12.979 10.798 ( 14.414 2.816 -2.499) 14.897 10.818 ( -2.624 -0.702 -13.184) 13.460 11.666 ( -0.115 14.631 -0.152) 14.632 12.455 ( 2.668 15.458 -1.001) 15.718 12.852 ( -7.613 12.545 0.601) 14.686 13.257 ( 0.966 -3.397 -3.424) 4.919 13.497 ( 6.040 4.139 -8.891) 11.518 13.682 ( -4.926 18.030 0.192) 18.692 14.230 ( 10.596 -7.629 -1.736) 13.171 14.765 ( 2.265 -1.275 5.245) 5.853 14.861 ( 3.036 12.571 -3.470) 13.390 15.118 ( -2.521 -3.895 7.197) 8.562 15.486 ( 8.114 1.904 -5.624) 10.055 15.871 ( 7.646 -2.058 13.374) 15.542 16.398 ( 2.679 -7.368 -0.474) 7.854 17.412 ( -6.427 8.683 0.070) 10.803 17.649 ( -1.392 3.679 3.225) 5.086 18.251 ( -3.930 -5.972 -9.893) 12.206 18.525 ( -2.480 -7.689 -2.243) 8.384 ======================= Grid point 27 (19/148) ======================= q-point: (-0.15 -0.02 0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 5.338 10.736 0.218) 11.992 2.867 ( 7.097 2.416 -5.971) 9.585 3.007 ( 4.974 -1.246 -1.464) 5.333 3.182 ( 4.923 -8.935 -7.547) 12.690 3.677 ( -0.091 4.984 8.991) 10.280 3.844 ( -0.980 -0.345 7.644) 7.715 4.134 ( -8.535 12.324 8.180) 17.078 4.242 ( 2.556 2.351 1.697) 3.865 4.405 ( -0.888 -0.918 -2.973) 3.236 4.637 ( -2.833 -6.251 4.457) 8.183 5.193 ( 16.417 16.875 -11.131) 26.042 5.574 ( 0.081 19.476 -2.552) 19.643 5.685 ( 10.271 7.158 -7.237) 14.461 5.886 ( 1.914 -10.741 -0.859) 10.944 6.734 ( -10.105 -4.371 5.847) 12.466 6.999 ( -11.242 -9.832 -2.373) 15.122 7.403 ( 8.259 3.531 2.857) 9.426 7.919 ( -10.745 -22.010 0.340) 24.495 8.545 ( -2.573 4.040 -3.211) 5.766 8.831 ( 9.684 -10.702 -6.125) 15.680 9.935 ( -13.858 4.720 13.985) 20.246 10.119 ( 5.610 -6.054 17.166) 19.047 10.503 ( -9.426 6.992 -10.481) 15.735 10.890 ( 19.222 -9.402 -11.830) 24.451 11.407 ( 20.151 15.232 4.553) 25.667 11.717 ( -11.847 0.488 2.479) 12.114 12.684 ( -1.145 7.254 -4.364) 8.542 13.024 ( -4.853 9.516 -0.157) 10.683 13.139 ( -0.790 2.894 -8.229) 8.758 13.713 ( 7.212 -2.226 -2.967) 8.110 13.970 ( -1.840 16.861 0.785) 16.979 14.343 ( 11.018 -0.901 2.487) 11.332 14.594 ( 0.711 -10.579 2.972) 11.012 14.778 ( -10.842 -11.988 1.907) 16.276 15.294 ( -2.498 19.688 -0.657) 19.856 15.747 ( -0.010 11.135 7.821) 13.607 15.919 ( 7.140 -10.727 6.433) 14.402 16.269 ( 3.957 -12.028 1.519) 12.753 17.522 ( -1.982 10.596 -1.461) 10.879 17.750 ( 2.944 4.065 -2.930) 5.812 18.081 ( -2.045 -3.470 -7.245) 8.289 18.287 ( -2.595 -9.239 -0.571) 9.614 ======================= Grid point 28 (20/148) ======================= q-point: ( 0.35 -0.02 -0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -8.472 -5.919 -4.146) 11.135 2.446 ( -15.786 -22.765 -0.412) 27.706 2.878 ( -4.015 -1.943 -6.778) 8.114 3.073 ( -1.456 -4.255 -4.600) 6.433 3.401 ( 2.852 -1.644 -5.098) 6.068 3.710 ( 3.268 0.673 -4.012) 5.218 4.038 ( -0.848 -4.086 4.696) 6.282 4.172 ( -0.652 -0.016 1.484) 1.621 4.503 ( -2.116 6.835 8.100) 10.807 4.717 ( 1.243 1.551 -0.391) 2.026 5.003 ( -19.507 -5.947 14.739) 25.162 5.157 ( 2.167 -1.134 0.689) 2.541 5.441 ( -6.201 -7.944 4.855) 11.186 6.126 ( -2.088 3.019 -6.160) 7.171 6.744 ( 13.316 1.581 -9.756) 16.583 7.182 ( 8.327 0.444 1.169) 8.420 7.557 ( 1.185 5.536 3.164) 6.485 8.414 ( -1.980 -2.808 -2.273) 4.120 8.716 ( 4.299 13.283 -0.716) 13.980 9.490 ( -8.588 11.874 7.638) 16.525 9.710 ( 23.186 0.480 1.356) 23.231 10.029 ( -16.707 0.419 -11.639) 20.366 10.292 ( -5.421 -6.717 -4.847) 9.899 10.748 ( -3.639 -8.233 0.061) 9.001 11.241 ( -6.033 -2.345 3.885) 7.550 11.375 ( 0.172 -7.516 -2.747) 8.004 12.259 ( -2.027 -12.704 1.603) 12.965 12.779 ( -1.779 7.477 2.518) 8.088 13.294 ( -0.971 -6.880 1.342) 7.076 13.338 ( 1.782 -9.557 0.462) 9.733 13.854 ( -8.369 1.757 11.124) 14.031 14.568 ( -4.944 4.502 1.480) 6.848 14.645 ( -0.972 -4.164 -0.796) 4.349 14.822 ( -1.741 -3.343 -4.451) 5.832 14.920 ( 5.662 1.708 -6.309) 8.648 15.366 ( 7.884 -1.259 -1.622) 8.147 16.191 ( -15.557 8.970 -5.024) 18.647 16.702 ( -6.220 8.471 3.483) 11.072 17.043 ( 8.045 -8.846 -3.453) 12.446 17.303 ( 3.056 -11.946 -5.343) 13.439 18.427 ( 1.271 2.957 3.194) 4.535 18.760 ( 1.647 7.054 7.756) 10.612 ======================= Grid point 29 (21/148) ======================= q-point: ( 0.35 -0.02 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -13.548 -0.000 12.888) 18.698 1.887 ( -17.543 -0.000 4.035) 18.001 2.797 ( -0.801 0.000 -4.541) 4.611 2.942 ( -7.726 -0.000 -0.967) 7.786 3.474 ( 4.132 0.000 -2.905) 5.051 3.800 ( 4.683 0.000 -8.456) 9.666 3.934 ( -25.663 -0.000 17.328) 30.965 4.020 ( 4.824 -0.000 3.677) 6.066 4.509 ( -5.253 -0.000 12.284) 13.360 4.586 ( -4.564 -0.000 4.995) 6.766 4.694 ( -5.302 -0.000 0.078) 5.303 5.184 ( -1.509 -0.000 6.490) 6.663 5.316 ( 1.712 -0.000 8.598) 8.767 5.998 ( -11.687 -0.000 -4.491) 12.520 7.074 ( 14.568 0.000 -15.777) 21.475 7.426 ( 12.625 0.000 -5.986) 13.972 7.689 ( 5.763 0.000 2.165) 6.157 8.337 ( -2.030 -0.000 -0.577) 2.110 8.940 ( 4.170 0.000 -3.991) 5.772 9.176 ( -38.962 -0.000 -6.287) 39.466 9.582 ( -6.665 -0.000 11.639) 13.413 10.180 ( -4.442 0.000 -7.775) 8.954 10.192 ( 18.125 0.000 5.824) 19.038 10.612 ( -3.892 -0.000 -0.573) 3.934 11.160 ( 0.122 -0.000 3.703) 3.705 11.302 ( 1.684 -0.000 2.817) 3.282 12.053 ( -4.572 -0.000 2.067) 5.017 12.749 ( -6.484 -0.000 13.376) 14.864 13.212 ( 4.410 0.000 -3.244) 5.475 13.287 ( -1.890 -0.000 -0.526) 1.962 13.700 ( -7.433 -0.000 15.971) 17.616 14.450 ( -9.420 -0.000 3.867) 10.182 14.537 ( -1.598 -0.000 9.859) 9.988 14.824 ( 1.178 0.000 -11.695) 11.754 14.991 ( -0.816 0.000 -4.672) 4.743 15.470 ( 0.795 0.000 -10.312) 10.342 15.893 ( -15.841 -0.000 8.167) 17.822 16.646 ( -6.022 -0.000 4.315) 7.409 17.178 ( 8.224 0.000 -2.872) 8.711 17.299 ( 8.652 0.000 -10.094) 13.294 18.504 ( 2.967 0.000 1.365) 3.265 18.864 ( 1.374 -0.000 6.913) 7.049 ======================= Grid point 30 (22/148) ======================= q-point: (-0.15 -0.02 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( -6.476 -4.328 -1.440) 7.921 2.895 ( -7.626 -12.099 -5.951) 15.491 2.906 ( -2.077 -3.578 -4.214) 5.905 3.055 ( 1.798 -2.421 -2.559) 3.955 3.481 ( -15.494 0.523 7.429) 17.191 3.958 ( 5.149 0.564 9.964) 11.230 4.138 ( -5.183 4.040 2.113) 6.903 4.312 ( -2.272 1.586 -0.879) 2.907 4.515 ( 7.563 1.259 7.024) 10.398 4.639 ( 8.806 1.531 1.413) 9.049 5.328 ( -9.833 -20.813 -7.251) 24.134 5.588 ( -8.091 -3.295 -3.813) 9.532 5.750 ( 6.491 4.000 -6.354) 9.925 6.026 ( 7.893 -12.505 -6.631) 16.206 6.698 ( -2.950 8.601 4.304) 10.060 6.868 ( 4.507 16.443 2.328) 17.208 7.294 ( -11.084 -7.607 2.485) 13.671 7.866 ( 14.496 10.789 0.400) 18.075 8.500 ( -9.542 3.570 -4.442) 11.115 8.774 ( 5.538 -10.885 -5.228) 13.285 9.659 ( -22.733 8.600 14.136) 28.117 10.117 ( 0.168 -1.592 12.323) 12.426 10.400 ( -7.034 2.166 -10.311) 12.668 11.036 ( 3.762 -11.741 0.274) 12.332 11.281 ( -5.974 -10.367 -5.147) 13.025 11.986 ( 13.750 0.998 3.268) 14.169 12.756 ( -4.838 6.406 -1.795) 8.226 13.020 ( 8.191 -3.456 -9.149) 12.757 13.336 ( -6.369 11.841 -1.698) 13.552 13.656 ( 5.953 -12.909 -0.794) 14.238 14.164 ( -6.959 -0.576 1.442) 7.130 14.311 ( -5.003 -4.949 2.808) 7.577 14.358 ( -1.147 -5.153 0.097) 5.280 14.752 ( 8.961 11.630 1.778) 14.789 15.405 ( -14.898 8.416 1.863) 17.211 15.640 ( -9.511 -11.055 -0.389) 14.588 15.879 ( 0.246 -1.909 14.959) 15.082 16.215 ( 8.491 -4.302 2.411) 9.819 17.667 ( -0.820 5.516 -6.742) 8.749 17.794 ( 4.686 -8.494 -7.414) 12.210 18.137 ( 1.950 -2.425 -0.006) 3.111 18.161 ( 3.195 8.783 -0.472) 9.358 ======================= Grid point 31 (23/148) ======================= q-point: (-0.15 -0.02 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -14.168 -22.784 -1.924) 26.899 2.318 ( -15.416 -14.113 -6.839) 21.991 2.705 ( -14.044 -1.052 -1.136) 14.129 3.020 ( -1.415 -2.125 -0.250) 2.565 3.258 ( -8.334 2.947 2.205) 9.110 3.959 ( 1.869 -5.025 6.790) 8.652 4.164 ( -8.943 -20.388 -1.644) 22.324 4.208 ( 1.163 4.347 5.150) 6.839 4.582 ( 0.927 -5.647 -5.710) 8.085 4.723 ( -1.090 -5.732 -2.703) 6.431 4.815 ( 4.806 -3.516 -2.339) 6.398 5.248 ( -7.310 -8.325 -8.082) 13.713 5.590 ( 3.255 -28.382 -3.722) 28.810 5.908 ( -0.522 -0.947 -4.336) 4.469 7.025 ( 0.845 14.555 3.136) 14.913 7.197 ( 0.043 12.522 4.704) 13.376 7.397 ( 7.277 18.458 2.552) 20.004 8.226 ( -17.506 4.544 1.250) 18.129 8.432 ( 7.898 12.688 0.440) 14.952 8.626 ( 1.624 -11.181 -3.750) 11.904 9.410 ( -15.969 7.814 8.177) 19.569 9.996 ( -12.253 -1.015 5.825) 13.605 10.335 ( -3.171 1.885 -10.858) 11.467 10.523 ( -11.892 -9.567 5.774) 16.319 11.283 ( 13.606 -11.662 -10.408) 20.723 11.959 ( -0.252 -14.937 -2.830) 15.205 12.733 ( 2.037 -9.503 5.087) 10.969 13.093 ( -2.713 -3.361 -4.275) 6.077 13.275 ( 3.459 -4.935 2.807) 6.649 13.598 ( 1.430 -5.748 -10.415) 11.982 13.823 ( -9.407 2.170 1.223) 9.731 14.176 ( 5.811 -11.468 -2.661) 13.129 14.506 ( -2.267 13.452 4.168) 14.265 14.968 ( -12.944 0.874 5.669) 14.158 15.144 ( -9.422 -15.154 -4.197) 18.331 15.237 ( -1.414 7.453 -3.805) 8.487 15.806 ( -1.670 -3.715 21.622) 22.003 16.319 ( 3.538 0.339 0.561) 3.598 17.702 ( 3.202 -6.003 -2.971) 7.424 17.752 ( 5.754 -3.265 -9.047) 11.208 18.220 ( 3.279 4.470 -2.659) 6.149 18.422 ( 2.875 8.265 -0.310) 8.756 ======================= Grid point 32 (24/148) ======================= q-point: ( 0.35 -0.02 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -16.435 9.520 12.946) 22.986 1.933 ( -11.960 23.226 20.499) 33.207 2.714 ( -14.136 0.384 1.356) 14.206 2.849 ( 2.181 1.893 1.931) 3.474 3.307 ( -22.193 8.278 21.861) 32.233 3.575 ( -11.271 4.645 11.098) 16.486 3.882 ( 5.339 -2.212 -7.388) 9.380 4.176 ( 8.642 -1.934 -0.812) 8.893 4.421 ( -0.850 3.686 1.250) 3.984 4.619 ( -0.881 4.350 1.756) 4.773 4.716 ( 3.159 4.005 2.141) 5.532 5.121 ( -3.202 2.914 8.486) 9.527 5.287 ( -4.083 -4.346 8.049) 10.017 5.810 ( -9.780 7.422 0.537) 12.289 7.239 ( 4.706 -4.931 -13.522) 15.143 7.592 ( 9.345 -7.986 -9.759) 15.695 7.800 ( 9.004 -5.763 -1.446) 10.788 8.305 ( -18.435 -0.254 -2.380) 18.590 8.395 ( -16.975 3.735 1.940) 17.489 8.917 ( 5.190 -10.998 -4.895) 13.109 9.461 ( -6.524 0.085 9.194) 11.274 10.004 ( -9.124 -3.682 -4.574) 10.851 10.355 ( 2.075 -4.001 2.669) 5.238 10.716 ( -0.604 9.664 6.578) 11.706 11.079 ( -1.202 -4.906 7.772) 9.269 11.439 ( 3.491 7.990 5.121) 10.112 12.088 ( -4.594 12.836 1.777) 13.749 12.849 ( 6.205 7.818 6.987) 12.184 13.212 ( -5.782 3.945 3.092) 7.652 13.427 ( 4.824 12.385 -3.254) 13.684 13.621 ( -2.307 5.667 18.507) 19.492 14.237 ( -7.008 -4.404 4.647) 9.493 14.587 ( -1.389 7.851 9.103) 12.101 14.801 ( 0.081 -4.237 -7.713) 8.800 14.882 ( -8.927 0.336 -0.490) 8.947 15.325 ( -12.764 -0.500 -19.285) 23.132 15.697 ( -0.852 -3.724 12.407) 12.982 16.472 ( -3.791 -5.568 -0.049) 6.736 17.388 ( 5.776 5.799 -2.136) 8.459 17.560 ( 8.248 7.333 -3.228) 11.498 18.539 ( 3.331 -3.309 -0.278) 4.704 18.820 ( 2.130 -7.756 5.459) 9.721 ======================= Grid point 33 (25/148) ======================= q-point: ( 0.35 -0.02 -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 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -10.406 18.832 13.642) 25.476 1.923 ( -17.224 13.254 19.511) 29.206 2.414 ( -12.083 -1.360 1.720) 12.281 2.973 ( 3.603 2.059 3.998) 5.762 3.287 ( -7.535 -7.994 6.212) 12.620 3.513 ( -7.821 37.917 25.653) 46.443 3.941 ( 3.975 -1.848 -6.663) 7.975 4.311 ( 7.026 -4.962 -2.105) 8.856 4.589 ( 2.832 7.262 -1.655) 7.968 4.700 ( -1.860 2.570 4.659) 5.636 4.754 ( -0.852 7.015 3.307) 7.802 5.109 ( -8.892 4.333 6.709) 11.952 5.372 ( 7.493 13.045 0.858) 15.068 5.831 ( -6.180 9.827 9.233) 14.832 7.113 ( -2.864 -7.334 -5.268) 9.474 7.464 ( 3.598 -18.430 -11.399) 21.967 7.729 ( -6.708 -4.006 -5.035) 9.295 7.808 ( -6.674 -7.791 -4.463) 11.187 8.502 ( 0.284 9.506 4.953) 10.723 8.773 ( 5.226 -13.308 -5.228) 15.223 9.333 ( -1.282 -3.835 6.313) 7.497 9.650 ( -15.175 -3.345 3.890) 16.019 10.292 ( -0.586 -2.919 -0.952) 3.126 10.596 ( -2.156 -6.842 12.466) 14.382 11.369 ( 4.153 22.094 5.143) 23.062 11.676 ( -0.020 10.500 7.416) 12.855 12.343 ( -2.298 18.360 -2.141) 18.627 12.996 ( 2.510 3.216 2.700) 4.892 13.212 ( -5.121 4.190 2.905) 7.226 13.642 ( 1.094 6.591 7.810) 10.278 13.951 ( -0.167 -9.508 4.672) 10.596 14.166 ( 10.861 14.369 1.398) 18.066 14.621 ( -5.976 0.181 -4.219) 7.317 14.627 ( -1.510 -8.381 -7.141) 11.114 14.860 ( -5.242 9.719 10.186) 15.023 15.035 ( -11.736 4.860 -13.922) 18.846 15.617 ( 0.841 -4.682 7.800) 9.136 16.327 ( -0.622 -3.843 -4.434) 5.900 17.623 ( 2.591 8.795 -0.823) 9.205 17.893 ( 6.438 8.674 1.118) 10.860 18.500 ( 2.399 -6.989 -0.333) 7.397 18.666 ( 1.817 -10.744 3.982) 11.601 ======================= Grid point 34 (26/148) ======================= q-point: (-0.15 -0.02 -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 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -20.304 -22.164 -5.683) 30.590 1.620 ( -14.692 -22.871 -10.273) 29.060 2.396 ( -12.031 -0.135 -0.516) 12.043 2.895 ( -2.590 -19.867 -5.655) 20.818 3.062 ( -11.103 -27.604 -15.568) 33.580 3.199 ( -3.977 -5.262 -4.398) 7.928 4.093 ( 6.203 3.921 7.360) 10.393 4.366 ( 4.003 5.735 4.164) 8.140 4.581 ( -2.401 2.861 -3.175) 4.902 4.639 ( -0.513 -3.123 -0.409) 3.192 4.743 ( -2.292 -9.374 0.442) 9.660 4.979 ( -3.564 -8.465 -4.518) 10.236 5.253 ( 10.414 -15.682 -11.335) 21.974 5.731 ( -7.864 -8.036 -1.291) 11.317 7.185 ( -7.369 11.000 2.411) 13.458 7.624 ( 4.051 18.279 5.370) 19.477 7.817 ( -3.153 4.987 3.644) 6.935 7.862 ( -7.120 4.571 1.356) 8.569 8.411 ( -0.855 -10.191 -4.170) 11.044 8.844 ( 4.507 12.968 2.788) 14.010 9.303 ( -5.069 2.439 1.889) 5.934 9.594 ( -19.222 0.260 -1.772) 19.305 10.324 ( -0.159 -0.041 -1.036) 1.049 10.372 ( -2.556 4.901 -7.171) 9.054 11.256 ( 8.522 -16.619 -5.683) 19.522 11.562 ( -4.242 -13.727 -4.162) 14.958 12.385 ( -0.931 -22.297 1.809) 22.390 12.966 ( -1.623 -3.337 -0.479) 3.741 13.191 ( -2.342 -4.950 1.549) 5.691 13.460 ( 0.848 -8.323 -9.958) 13.005 13.888 ( -2.280 11.059 -2.384) 11.541 14.155 ( 17.259 -13.159 -0.626) 21.712 14.653 ( -8.872 2.092 -0.237) 9.118 14.658 ( -3.678 -10.739 -3.494) 11.877 14.755 ( -2.488 4.854 1.285) 5.604 15.404 ( -2.899 4.440 8.789) 10.265 15.634 ( -5.056 -5.920 20.914) 22.316 16.376 ( 0.563 1.627 -0.912) 1.948 17.621 ( 2.594 -7.548 -0.601) 8.004 17.833 ( 6.719 -3.513 -5.672) 9.468 18.422 ( 3.515 9.028 -8.799) 13.087 18.592 ( 0.755 5.343 -1.437) 5.585 ======================= Grid point 35 (27/148) ======================= q-point: (-0.29 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -0.000 -13.899 -19.542) 23.981 1.732 ( -0.000 -18.802 -19.403) 27.019 2.278 ( -0.000 1.727 -1.912) 2.576 3.035 ( -0.000 3.114 -4.879) 5.788 3.179 ( -0.000 3.414 -6.938) 7.732 3.433 ( -0.000 -42.273 -27.629) 50.501 3.991 ( 0.000 3.425 7.805) 8.523 4.391 ( 0.000 10.588 1.110) 10.646 4.643 ( -0.000 -10.966 2.581) 11.266 4.679 ( -0.000 -4.340 -1.214) 4.506 4.743 ( -0.000 -3.559 -10.586) 11.168 4.978 ( -0.000 -9.423 -4.879) 10.611 5.484 ( 0.000 -9.854 7.242) 12.229 5.739 ( -0.000 -12.707 -15.544) 20.077 7.060 ( 0.000 6.221 1.654) 6.437 7.501 ( 0.000 19.504 11.749) 22.769 7.581 ( 0.000 -2.977 6.016) 6.712 7.824 ( 0.000 14.762 5.923) 15.906 8.506 ( -0.000 -9.905 -5.757) 11.456 8.835 ( 0.000 13.930 5.814) 15.095 9.382 ( -0.000 8.113 -9.042) 12.148 9.408 ( -0.000 -1.707 -6.516) 6.736 10.288 ( 0.000 3.471 1.001) 3.613 10.576 ( -0.000 6.098 -12.396) 13.815 11.409 ( -0.000 -25.312 -1.991) 25.391 11.677 ( -0.000 -7.352 -10.755) 13.028 12.318 ( -0.000 -19.047 2.828) 19.256 13.043 ( -0.000 -8.127 -5.940) 10.066 13.130 ( -0.000 0.829 -0.683) 1.075 13.654 ( -0.000 -7.382 -8.985) 11.629 13.947 ( -0.000 10.922 -5.442) 12.203 14.343 ( 0.000 2.453 5.169) 5.722 14.559 ( 0.000 -19.943 10.093) 22.351 14.625 ( 0.000 9.543 2.491) 9.863 14.726 ( 0.000 5.566 -0.112) 5.567 14.918 ( -0.000 -17.756 -1.837) 17.851 15.627 ( -0.000 4.496 -7.133) 8.432 16.321 ( 0.000 3.187 5.466) 6.327 17.651 ( -0.000 -8.707 0.774) 8.741 17.965 ( -0.000 -8.322 -0.538) 8.340 18.526 ( 0.000 6.630 1.234) 6.744 18.691 ( -0.000 11.869 -4.020) 12.531 ======================= Grid point 36 (28/148) ======================= q-point: ( 0.21 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 0.000 21.919 13.865) 25.936 1.477 ( 0.000 30.421 6.746) 31.159 2.260 ( 0.000 -0.115 0.186) 0.219 2.860 ( 0.000 49.799 21.385) 54.197 2.953 ( 0.000 0.792 3.322) 3.415 3.161 ( 0.000 7.096 3.230) 7.796 4.175 ( -0.000 -5.387 -9.927) 11.294 4.405 ( -0.000 -11.413 -0.425) 11.421 4.583 ( 0.000 2.587 5.825) 6.374 4.624 ( 0.000 3.025 2.781) 4.109 4.668 ( 0.000 4.764 1.983) 5.160 4.958 ( 0.000 14.843 -3.857) 15.336 5.418 ( 0.000 12.619 17.041) 21.205 5.599 ( -0.000 11.710 -4.369) 12.498 7.070 ( -0.000 -8.738 0.185) 8.740 7.666 ( -0.000 -19.188 -5.505) 19.962 7.686 ( -0.000 3.368 -4.378) 5.524 7.897 ( -0.000 -12.763 -1.651) 12.870 8.401 ( 0.000 11.064 4.642) 11.999 8.901 ( -0.000 -13.300 -1.562) 13.391 9.245 ( 0.000 -8.283 4.885) 9.616 9.372 ( 0.000 9.051 -1.573) 9.187 10.325 ( -0.000 0.812 -2.231) 2.374 10.346 ( 0.000 -5.585 10.555) 11.942 11.370 ( 0.000 24.165 1.884) 24.239 11.491 ( 0.000 6.569 7.614) 10.056 12.374 ( 0.000 23.377 -2.547) 23.515 12.950 ( 0.000 5.375 3.533) 6.432 13.149 ( -0.000 3.668 -3.222) 4.882 13.472 ( 0.000 7.223 9.274) 11.755 13.869 ( -0.000 -10.223 2.729) 10.581 14.446 ( -0.000 -3.444 -5.435) 6.435 14.495 ( 0.000 13.786 7.882) 15.880 14.622 ( 0.000 -5.874 2.627) 6.434 14.734 ( -0.000 -9.162 -0.913) 9.208 15.327 ( -0.000 10.928 -26.810) 28.952 15.590 ( -0.000 5.205 -10.194) 11.446 16.383 ( 0.000 -0.777 0.833) 1.139 17.649 ( 0.000 7.550 0.504) 7.566 17.916 ( 0.000 3.252 5.302) 6.220 18.465 ( 0.000 -11.143 9.677) 14.758 18.600 ( 0.000 -5.045 1.585) 5.288 ======================= Grid point 37 (29/148) ======================= q-point: ( 0.21 -0.04 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 19.715 19.826 6.362) 28.675 2.142 ( 5.199 27.459 0.758) 27.957 2.415 ( 11.853 2.396 -0.867) 12.124 2.978 ( 2.364 -0.289 0.610) 2.458 3.158 ( 1.919 0.292 -3.622) 4.110 3.952 ( 3.856 30.126 5.448) 30.856 4.063 ( -1.210 5.957 -1.309) 6.218 4.231 ( -0.502 -6.690 -2.660) 7.217 4.579 ( -0.873 3.978 3.957) 5.678 4.710 ( 0.162 5.655 3.953) 6.901 4.839 ( 4.688 2.331 5.450) 7.557 5.193 ( -2.127 9.373 2.014) 9.820 5.684 ( -5.257 25.550 4.015) 26.393 5.872 ( 2.951 6.850 2.476) 7.859 6.968 ( 5.033 -10.893 0.556) 12.012 7.227 ( -1.781 -20.203 -6.416) 21.272 7.515 ( -3.892 -20.882 -3.293) 21.495 7.854 ( 14.032 -1.099 -3.284) 14.453 8.592 ( -5.751 -11.882 -1.598) 13.297 8.653 ( -0.831 13.713 3.580) 14.197 9.169 ( 7.736 -8.318 0.657) 11.378 9.705 ( 12.207 8.446 -6.344) 16.143 10.296 ( 1.081 -0.228 11.189) 11.243 10.384 ( 2.928 3.983 -5.909) 7.704 11.522 ( -9.014 10.344 8.691) 16.241 11.914 ( 3.404 19.574 3.628) 20.197 12.774 ( -1.845 10.764 -8.088) 13.589 13.075 ( -1.186 9.590 4.400) 10.618 13.256 ( 5.296 0.275 -2.372) 5.810 13.585 ( 1.984 -0.329 9.298) 9.513 13.750 ( -1.871 5.259 0.750) 5.632 14.303 ( -5.449 1.963 0.306) 5.800 14.469 ( 1.208 -12.924 -2.506) 13.220 14.663 ( 11.510 -0.520 -0.121) 11.522 14.926 ( 10.442 10.432 4.684) 15.486 15.279 ( -2.317 -7.101 -1.130) 7.554 15.793 ( -0.104 8.869 -23.557) 25.172 16.378 ( -1.969 1.709 -1.535) 3.026 17.765 ( -2.663 5.062 2.974) 6.447 17.884 ( -5.811 2.740 10.708) 12.488 18.274 ( -1.831 -5.453 2.378) 6.225 18.469 ( -1.550 -7.164 0.262) 7.335 ======================= Grid point 38 (30/148) ======================= q-point: (-0.29 -0.04 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 7.724 -9.032 -23.465) 26.303 1.651 ( 14.715 -15.023 -24.827) 32.536 2.433 ( 10.893 -0.453 -3.466) 11.440 2.761 ( 15.579 -21.064 -35.182) 43.865 2.995 ( -2.417 -5.722 -9.465) 11.321 3.387 ( 8.756 1.640 -9.970) 13.370 3.999 ( -5.370 2.748 9.058) 10.883 4.403 ( -8.948 1.769 1.946) 9.327 4.423 ( -4.312 -2.828 1.024) 5.258 4.618 ( -1.215 -3.998 -3.681) 5.568 4.740 ( 2.435 1.705 -3.043) 4.254 5.028 ( 8.063 -8.240 -7.220) 13.603 5.217 ( -0.347 1.971 -0.665) 2.109 5.622 ( 7.853 -11.291 -6.913) 15.393 7.252 ( 2.903 5.981 9.202) 11.352 7.690 ( 13.329 -0.493 5.134) 14.292 7.772 ( 1.987 8.239 10.424) 13.435 7.994 ( -6.247 7.834 4.798) 11.110 8.349 ( 0.158 -5.448 -5.868) 8.009 9.040 ( -6.494 11.820 5.315) 14.496 9.372 ( 1.739 0.570 -11.892) 12.032 9.749 ( 14.227 5.563 -2.564) 15.489 10.366 ( 0.323 4.234 -2.734) 5.050 10.693 ( 1.095 -3.159 -9.600) 10.165 11.071 ( -0.018 0.100 -5.851) 5.852 11.512 ( -2.912 -5.946 -8.759) 10.979 12.007 ( 2.942 -13.278 -0.906) 13.630 12.954 ( -0.571 -1.790 -3.653) 4.108 13.120 ( 0.410 -5.950 -4.534) 7.492 13.528 ( -1.992 -5.834 -4.794) 7.809 13.682 ( -12.155 -25.861 -6.963) 29.411 14.136 ( 2.656 5.331 -4.496) 7.463 14.559 ( 2.861 -5.261 -2.145) 6.361 14.666 ( 8.871 -2.863 -7.022) 11.671 14.811 ( 0.006 5.123 4.242) 6.651 15.009 ( 16.619 0.219 11.502) 20.213 15.701 ( -0.476 3.180 -9.073) 9.625 16.413 ( 1.836 4.236 2.472) 5.237 17.478 ( -2.898 -5.267 2.007) 6.338 17.722 ( -6.532 -7.544 1.433) 10.081 18.595 ( -1.832 2.906 1.955) 3.952 18.888 ( -4.203 10.028 -2.930) 11.261 ======================= Grid point 39 (31/148) ======================= q-point: (-0.29 -0.04 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 15.463 0.000 -17.480) 23.338 1.604 ( 11.382 0.000 -22.441) 25.163 2.710 ( 14.084 0.000 -1.359) 14.150 2.830 ( -3.958 -0.000 -1.669) 4.295 3.240 ( 36.150 0.000 -31.803) 48.148 3.502 ( 2.177 0.000 -3.645) 4.246 3.909 ( -5.532 -0.000 9.974) 11.406 4.195 ( -11.949 -0.000 -1.377) 12.029 4.410 ( 3.673 0.000 -8.508) 9.267 4.579 ( 1.014 0.000 0.404) 1.092 4.654 ( -3.669 -0.000 -0.027) 3.670 5.079 ( 7.466 0.000 -7.616) 10.665 5.382 ( -3.008 0.000 -10.918) 11.325 5.704 ( 16.038 0.000 4.188) 16.576 7.293 ( -5.557 -0.000 15.313) 16.290 7.671 ( -10.095 -0.000 9.571) 13.911 7.862 ( -10.618 -0.000 0.945) 10.660 8.305 ( 1.000 0.000 -2.827) 2.999 8.357 ( 37.497 0.000 4.778) 37.800 9.035 ( -5.242 -0.000 4.928) 7.195 9.455 ( 5.314 0.000 -13.801) 14.788 10.047 ( 8.615 -0.000 5.418) 10.176 10.463 ( -8.361 0.000 -5.665) 10.099 10.521 ( 4.594 0.000 -1.473) 4.824 11.177 ( -1.191 0.000 -4.668) 4.817 11.371 ( -4.336 0.000 -6.320) 7.664 11.952 ( 4.806 0.000 -2.252) 5.308 12.697 ( -2.755 0.000 -17.820) 18.032 13.182 ( 7.913 0.000 -1.190) 8.002 13.298 ( -3.461 -0.000 3.823) 5.157 13.573 ( 4.578 0.000 -19.389) 19.922 14.279 ( 6.481 0.000 -4.094) 7.666 14.505 ( 1.187 0.000 -12.407) 12.464 14.848 ( -1.093 -0.000 7.875) 7.950 14.880 ( 9.385 0.000 1.530) 9.508 15.329 ( 12.455 -0.000 19.304) 22.973 15.736 ( 1.333 0.000 -12.931) 12.999 16.535 ( 4.503 0.000 -0.749) 4.565 17.328 ( -6.019 -0.000 2.695) 6.594 17.478 ( -8.393 -0.000 5.048) 9.795 18.572 ( -3.214 -0.000 0.703) 3.290 18.904 ( -2.974 0.000 -5.366) 6.135 ======================= Grid point 40 (32/148) ======================= q-point: ( 0.21 -0.04 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 14.113 12.045 2.066) 18.669 2.676 ( 9.766 7.063 -1.157) 12.108 2.818 ( 6.561 18.146 2.276) 19.430 3.029 ( 4.253 -0.676 -0.671) 4.358 3.243 ( 5.897 1.548 -5.728) 8.366 4.020 ( -1.387 1.514 -7.156) 7.445 4.088 ( -0.617 -5.725 -0.583) 5.787 4.291 ( -0.382 -0.698 -0.278) 0.843 4.626 ( -2.472 -3.568 -3.979) 5.889 4.812 ( -6.417 -1.073 1.618) 6.704 5.151 ( 6.655 23.219 5.929) 24.871 5.432 ( 5.372 11.586 7.136) 14.630 5.877 ( -4.475 0.040 2.865) 5.313 6.153 ( -4.472 20.444 8.375) 22.541 6.665 ( 0.103 -20.130 -6.274) 21.085 6.959 ( -4.050 -22.261 -3.063) 22.833 7.099 ( 7.876 3.167 -2.327) 8.801 8.103 ( -0.570 -7.641 -2.379) 8.023 8.253 ( 6.980 -5.338 4.198) 9.738 8.881 ( -4.433 14.182 3.885) 15.358 9.226 ( 15.794 -9.892 -5.024) 19.301 10.042 ( 6.532 3.808 -9.713) 12.309 10.342 ( 0.252 2.751 4.484) 5.266 10.753 ( 16.090 12.444 -5.306) 21.021 11.493 ( -12.517 9.011 9.663) 18.200 12.206 ( -7.168 8.848 1.376) 11.470 12.665 ( 3.280 -14.246 -3.972) 15.149 13.193 ( -6.832 7.470 9.189) 13.671 13.243 ( 2.254 -11.106 -0.771) 11.358 13.724 ( -0.426 12.159 -1.531) 12.263 14.016 ( 5.361 14.645 1.684) 15.686 14.204 ( 3.727 -12.780 -3.578) 13.785 14.360 ( 0.883 4.663 2.502) 5.365 14.877 ( -0.137 -8.468 -4.719) 9.695 15.083 ( 12.428 -5.167 2.589) 13.706 15.401 ( 11.007 8.133 -0.357) 13.690 15.920 ( -2.373 7.588 -17.856) 19.546 16.358 ( -5.192 4.040 -2.924) 7.199 17.683 ( -2.355 -4.900 7.260) 9.070 17.899 ( -5.138 7.877 8.360) 12.583 18.183 ( -2.149 1.006 0.174) 2.379 18.237 ( -3.719 -10.050 0.210) 10.718 ======================= Grid point 41 (33/148) ======================= q-point: ( 0.21 -0.04 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( -1.729 -3.543 -6.593) 7.682 2.917 ( 2.079 3.286 0.703) 3.952 3.128 ( -2.999 4.412 3.412) 6.333 3.243 ( -0.744 14.115 8.003) 16.243 3.465 ( 12.826 -0.979 -7.287) 14.783 3.914 ( -2.979 -2.886 -2.459) 4.822 3.998 ( 2.975 -10.136 -9.490) 14.200 4.300 ( 1.029 -1.214 0.772) 1.769 4.391 ( -3.640 -7.281 -0.258) 8.145 4.655 ( -3.941 1.329 -1.178) 4.323 5.484 ( -8.060 -5.545 1.121) 9.847 5.525 ( 2.229 -9.014 -1.092) 9.350 5.821 ( -4.911 7.506 6.892) 11.312 6.055 ( -11.945 -3.169 5.433) 13.499 6.528 ( 9.325 -5.108 -6.069) 12.243 6.765 ( 10.466 2.425 4.766) 11.753 7.502 ( 2.438 5.924 -8.162) 10.376 7.810 ( -3.507 10.341 6.832) 12.881 8.455 ( 7.303 -0.996 2.983) 7.952 9.023 ( -8.813 13.828 5.717) 17.366 9.459 ( 26.417 -11.112 -8.279) 29.830 10.186 ( -0.247 5.220 -12.354) 13.414 10.410 ( 0.253 3.063 2.923) 4.242 11.245 ( -5.609 8.779 -0.463) 10.428 11.442 ( 4.767 5.338 2.858) 7.706 11.817 ( -16.629 -16.730 -4.796) 24.071 12.619 ( 5.145 -3.073 4.513) 7.502 12.954 ( 1.621 -19.485 1.395) 19.602 13.190 ( -5.793 7.047 8.571) 12.517 13.818 ( -1.743 -3.976 -4.865) 6.520 13.978 ( -3.013 -6.760 3.808) 8.323 14.513 ( 4.290 7.354 -3.468) 9.193 14.568 ( 5.278 9.425 -0.622) 10.821 14.582 ( -3.484 1.398 -1.384) 4.001 15.181 ( 8.179 -13.640 0.073) 15.904 15.636 ( 7.204 -6.396 -8.491) 12.841 16.050 ( -3.774 11.925 -7.943) 14.817 16.376 ( -5.311 9.869 -1.908) 11.369 17.514 ( -0.821 -9.104 0.362) 9.148 17.833 ( -5.275 -7.600 2.124) 9.492 18.063 ( -0.224 3.001 10.136) 10.574 18.255 ( 0.437 7.747 0.501) 7.775 ======================= Grid point 42 (34/148) ======================= q-point: (-0.29 -0.04 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 17.955 8.206 -2.617) 19.914 2.166 ( 11.131 24.514 -13.380) 30.064 2.827 ( 0.738 2.608 3.126) 4.137 2.965 ( 8.845 2.399 1.552) 9.295 3.468 ( -1.857 0.245 2.218) 2.903 3.787 ( -3.961 -0.927 6.440) 7.617 3.979 ( 15.781 1.983 -11.257) 19.486 4.074 ( 0.999 3.730 -4.744) 6.117 4.453 ( 2.018 -0.725 -4.654) 5.124 4.651 ( 6.001 6.072 -9.167) 12.526 4.721 ( 3.243 1.305 -0.484) 3.529 5.168 ( 0.844 -1.293 -7.267) 7.429 5.354 ( 3.025 4.385 -8.946) 10.412 6.006 ( 8.362 0.495 3.015) 8.903 7.046 ( -13.393 -2.666 14.669) 20.041 7.380 ( -10.275 -4.537 5.861) 12.669 7.635 ( -6.147 -5.345 -1.618) 8.305 8.374 ( 1.737 3.708 0.203) 4.099 8.807 ( -4.053 -12.520 4.360) 13.863 9.076 ( 29.571 -8.148 -1.597) 30.715 9.658 ( 13.585 4.214 -1.226) 14.276 10.076 ( -5.754 -6.150 6.062) 10.378 10.268 ( -3.689 5.079 -2.328) 6.695 10.713 ( -0.020 9.252 -3.216) 9.796 11.136 ( 4.159 -4.069 -6.849) 8.987 11.387 ( -1.336 9.971 -0.632) 10.080 12.186 ( 4.500 12.525 -2.270) 13.501 12.770 ( -1.274 1.562 -6.364) 6.676 13.285 ( 0.826 4.200 -0.710) 4.339 13.366 ( -1.240 10.228 0.787) 10.333 13.706 ( 5.696 0.713 -15.619) 16.641 14.411 ( 8.896 -4.314 -3.697) 10.555 14.620 ( 1.541 7.120 -5.914) 9.383 14.801 ( 0.347 -0.941 7.868) 7.931 14.985 ( 0.353 -0.655 5.745) 5.793 15.475 ( -0.567 0.633 10.622) 10.655 15.838 ( 14.791 -5.261 -7.039) 17.205 16.571 ( 5.695 -6.786 -2.581) 9.228 17.234 ( -8.917 6.054 2.751) 11.124 17.405 ( -6.353 8.879 6.229) 12.570 18.471 ( -2.876 -3.259 -1.665) 4.655 18.789 ( -1.208 -7.151 -6.464) 9.715 ======================= Grid point 43 (35/148) ======================= q-point: (-0.29 -0.04 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 388 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 5.424 11.626 1.684) 12.939 2.834 ( 7.196 8.140 0.900) 10.902 3.016 ( 10.719 13.705 -6.208) 18.473 3.182 ( 1.963 6.059 4.994) 8.094 3.474 ( -3.831 7.360 10.664) 13.512 3.674 ( -3.039 -3.158 2.422) 5.007 4.002 ( 2.077 -7.409 -3.556) 8.476 4.183 ( 0.300 1.161 0.059) 1.201 4.453 ( -3.072 0.636 -1.589) 3.517 4.661 ( -1.249 -4.081 2.576) 4.985 5.171 ( 13.989 12.163 -12.923) 22.597 5.281 ( 1.494 12.053 -4.599) 12.987 5.621 ( 8.028 9.217 -3.928) 12.839 6.038 ( 0.981 -5.718 3.699) 6.880 6.692 ( -12.033 -3.722 7.297) 14.557 7.173 ( -7.976 -0.583 -1.730) 8.182 7.405 ( 1.618 -8.972 0.099) 9.118 8.360 ( -4.993 -21.334 0.561) 21.917 8.495 ( 0.318 5.187 -0.323) 5.207 9.238 ( 11.862 -12.738 -10.519) 20.338 9.689 ( -20.377 -1.473 7.752) 21.852 9.933 ( 9.672 -7.164 14.313) 18.701 10.475 ( -1.244 10.307 -3.007) 10.808 10.998 ( 10.679 15.095 1.406) 18.544 11.223 ( 10.261 -3.645 -5.949) 12.408 11.568 ( -5.296 8.805 3.244) 10.775 12.583 ( 4.271 16.285 -3.524) 17.200 12.716 ( -5.354 4.497 0.006) 6.992 13.360 ( 1.541 0.756 -4.531) 4.845 13.600 ( -2.731 13.405 0.325) 13.684 13.842 ( 7.506 1.868 -10.181) 12.786 14.418 ( 4.845 -9.259 3.108) 10.903 14.656 ( 1.949 -3.702 6.403) 7.648 14.851 ( -7.361 -5.313 6.788) 11.335 15.024 ( 1.021 15.228 -6.987) 16.786 15.424 ( -6.513 5.194 5.436) 9.947 15.987 ( 11.779 -10.933 6.764) 17.437 16.496 ( 3.368 -11.565 0.089) 12.046 17.285 ( -3.273 14.090 -0.396) 14.471 17.551 ( -0.827 12.429 1.823) 12.589 18.342 ( -0.708 -5.501 -3.512) 6.565 18.567 ( -1.645 -11.819 -6.125) 13.413 ======================= Grid point 44 (36/148) ======================= q-point: ( 0.21 -0.04 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -11.555 -7.818 -5.082) 14.848 2.759 ( -16.462 -10.796 7.520) 21.074 3.009 ( -5.011 -0.223 -4.724) 6.890 3.272 ( -6.536 -0.405 -1.196) 6.656 3.615 ( -0.327 -2.778 -2.937) 4.056 3.764 ( 1.471 -5.203 -9.039) 10.533 3.964 ( 6.553 -3.260 0.617) 7.345 4.182 ( -0.566 -4.182 0.892) 4.314 4.412 ( 6.163 -0.695 2.385) 6.645 4.701 ( 1.353 -0.595 0.342) 1.517 4.917 ( -23.208 -9.442 8.234) 26.374 5.232 ( -3.753 -10.952 1.684) 11.699 5.479 ( -11.881 -11.057 9.124) 18.619 6.102 ( -3.982 9.257 -2.523) 10.389 6.857 ( 16.565 6.316 -8.744) 19.767 7.127 ( 14.248 3.228 3.084) 14.931 7.402 ( -3.129 2.848 0.312) 4.243 8.369 ( 9.125 21.079 -0.270) 22.971 8.487 ( -0.705 -1.551 0.291) 1.729 9.079 ( -12.398 13.923 5.770) 19.515 9.814 ( 23.403 -7.214 -5.190) 25.034 10.251 ( -6.251 6.553 -16.324) 18.668 10.418 ( -4.129 -2.072 1.771) 4.947 10.961 ( -18.948 -10.703 7.177) 22.915 11.135 ( -13.220 -2.498 1.433) 13.530 11.620 ( 4.476 -8.715 -1.870) 9.974 12.522 ( -3.617 -14.039 2.312) 14.681 12.708 ( 5.764 -6.463 0.602) 8.681 13.257 ( -0.206 4.614 5.208) 6.961 13.605 ( 1.893 -15.091 -0.325) 15.213 13.688 ( -10.321 -4.928 5.476) 12.680 14.435 ( -8.452 6.087 0.250) 10.419 14.788 ( 0.689 6.030 -6.270) 8.727 14.903 ( -0.619 -16.002 3.517) 16.395 14.982 ( 8.488 7.939 -3.098) 12.027 15.538 ( 2.005 -9.325 -6.486) 11.534 16.120 ( -12.715 9.205 -5.801) 16.735 16.476 ( -4.587 8.422 2.384) 9.882 17.306 ( 2.731 -10.624 -2.545) 11.260 17.624 ( 1.178 -6.818 -6.570) 9.542 18.186 ( 2.122 5.589 12.910) 14.227 18.469 ( 2.689 8.538 2.822) 9.386 ======================= Grid point 45 (37/148) ======================= q-point: ( 0.21 -0.04 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -17.333 -19.759 6.549) 27.088 1.991 ( -25.143 -11.634 -2.254) 27.796 2.922 ( -6.673 1.461 -3.983) 7.908 3.039 ( -9.545 -3.617 -7.665) 12.765 3.461 ( -8.471 -1.740 3.510) 9.332 3.677 ( -27.000 -4.757 14.854) 31.181 3.872 ( 1.489 -1.378 1.408) 2.470 4.068 ( 10.109 -6.163 -4.958) 12.835 4.384 ( 0.328 -6.786 2.896) 7.385 4.555 ( 0.984 0.338 0.077) 1.044 4.711 ( -1.230 -1.345 0.758) 1.974 5.045 ( -4.984 1.597 5.270) 7.428 5.148 ( -4.667 -3.757 11.149) 12.657 6.063 ( -10.516 1.758 -2.402) 10.929 7.298 ( 12.602 4.325 -11.008) 17.282 7.466 ( 13.925 4.677 -3.030) 14.999 7.576 ( 8.626 4.136 4.257) 10.471 8.387 ( -3.740 -2.465 -0.669) 4.529 8.879 ( 6.406 12.159 -2.880) 14.041 9.021 ( -23.422 13.948 3.014) 27.427 9.709 ( -24.202 -15.354 -4.754) 29.053 10.140 ( 15.487 -3.814 -0.049) 15.949 10.300 ( -5.078 2.121 -5.341) 7.669 10.671 ( -1.040 -2.543 1.148) 2.977 11.003 ( -7.705 9.163 6.498) 13.622 11.377 ( -1.546 -12.379 0.286) 12.478 12.153 ( -4.185 -12.250 1.166) 12.997 12.624 ( -1.778 -11.673 7.466) 13.970 13.277 ( -2.575 -0.189 0.262) 2.595 13.374 ( 3.453 -10.110 -0.096) 10.684 13.462 ( -7.586 -0.933 9.032) 11.832 14.354 ( -9.794 4.187 2.073) 10.851 14.479 ( -4.140 -12.493 6.297) 14.589 14.958 ( -1.991 5.976 -6.870) 9.321 15.137 ( -2.451 -1.172 -8.930) 9.334 15.469 ( 2.299 0.118 7.874) 8.203 15.913 ( -13.235 1.768 -9.628) 16.462 16.520 ( -3.020 4.455 2.405) 5.895 17.268 ( 7.486 -5.339 -0.919) 9.241 17.586 ( 2.894 -2.366 -12.829) 13.362 18.355 ( 4.567 3.947 11.967) 13.403 18.654 ( 1.582 4.956 4.994) 7.211 ======================= Grid point 46 (38/148) ======================= q-point: ( 0.71 -0.04 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -4.237 11.223 2.451) 12.244 2.944 ( -1.853 0.551 -1.936) 2.736 3.134 ( -9.609 0.056 2.797) 10.008 3.305 ( -4.305 -4.327 6.288) 8.763 3.384 ( -4.598 -10.034 -2.323) 11.279 3.795 ( 5.879 1.613 5.947) 8.517 3.904 ( 0.817 8.732 2.153) 9.031 4.302 ( 6.221 4.658 0.543) 7.790 4.371 ( -3.127 -2.718 0.697) 4.202 4.616 ( 6.900 -1.897 2.167) 7.477 5.510 ( -9.240 7.258 0.303) 11.753 5.567 ( 2.967 6.340 -5.739) 9.051 5.866 ( 2.639 10.517 4.498) 11.739 6.126 ( 13.221 3.749 -1.476) 13.821 6.486 ( -3.313 -0.993 -2.925) 4.529 6.871 ( -9.230 -7.834 -6.651) 13.813 7.359 ( -2.947 -6.432 6.541) 9.635 7.925 ( 6.460 -12.849 -5.314) 15.331 8.535 ( -7.059 3.563 -5.095) 9.407 9.145 ( 2.086 -13.561 -2.113) 13.883 9.279 ( -17.086 5.512 5.250) 18.705 9.915 ( 2.570 -5.069 13.942) 15.056 10.494 ( -6.921 3.763 -5.456) 9.582 11.159 ( -11.157 -8.387 7.547) 15.868 11.539 ( 11.873 -0.126 -4.057) 12.547 11.708 ( 14.031 12.623 4.549) 19.413 12.707 ( -7.332 6.575 -3.746) 10.537 13.000 ( 1.020 17.065 -3.288) 17.409 13.394 ( 4.144 -2.969 -11.240) 12.342 13.710 ( -2.353 4.265 5.781) 7.560 14.070 ( 3.508 1.518 -5.820) 6.963 14.377 ( 5.900 -1.863 11.437) 13.003 14.468 ( -10.026 -10.158 5.840) 15.421 14.639 ( 1.417 -2.100 -4.013) 4.746 15.179 ( -9.212 8.055 -0.675) 12.255 15.491 ( -6.972 11.139 4.945) 14.041 15.906 ( 3.670 -11.803 8.276) 14.876 16.278 ( 0.970 -10.840 5.666) 12.270 17.581 ( 1.708 13.471 -4.953) 14.454 17.849 ( 5.286 11.868 -0.012) 12.992 18.236 ( 1.797 -5.970 -4.143) 7.485 18.286 ( -0.297 -12.568 -4.733) 13.433 ======================= Grid point 47 (39/148) ======================= q-point: (-0.29 -0.04 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 388 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -11.954 -2.806 -4.710) 13.152 2.689 ( -17.268 -3.939 -1.697) 17.793 2.827 ( -8.759 -18.960 0.609) 20.894 3.003 ( -8.817 7.750 3.393) 12.219 3.107 ( -5.544 -3.821 6.374) 9.272 3.867 ( 2.681 -1.011 6.881) 7.454 4.105 ( 2.409 1.859 -1.523) 3.403 4.289 ( 1.455 -0.485 -0.181) 1.544 4.586 ( 7.384 3.278 -0.123) 8.080 4.799 ( 9.565 -0.537 2.872) 10.001 5.260 ( -7.124 -8.182 -4.485) 11.739 5.569 ( -3.229 -7.543 -6.056) 10.197 5.988 ( 0.069 -11.728 -8.599) 14.543 6.356 ( 3.457 -19.417 -11.785) 22.974 6.493 ( -0.358 23.204 11.041) 25.700 6.853 ( 1.943 18.187 7.773) 19.873 7.065 ( -5.316 -0.695 1.037) 5.461 8.075 ( -1.475 4.273 0.638) 4.565 8.329 ( -8.892 3.185 -3.426) 10.047 8.906 ( -0.613 -8.790 2.885) 9.271 9.189 ( -4.141 3.651 -3.183) 6.373 9.850 ( -4.401 -0.901 9.717) 10.705 10.395 ( -8.318 1.573 -1.330) 8.569 10.671 ( -10.214 -9.777 2.783) 14.410 11.699 ( 11.034 -6.647 -10.704) 16.748 12.184 ( 12.910 -1.924 4.161) 13.699 12.624 ( -9.056 5.337 0.108) 10.512 13.235 ( -3.971 5.743 -0.412) 6.994 13.403 ( 4.579 -5.075 -11.639) 13.498 13.692 ( -0.436 -2.418 2.154) 3.267 14.014 ( -3.358 -13.617 2.214) 14.199 14.135 ( -3.976 10.105 3.421) 11.385 14.411 ( 0.585 -4.533 -2.820) 5.371 14.785 ( -0.778 6.009 4.517) 7.557 15.079 ( -9.539 6.373 3.253) 11.924 15.379 ( -10.209 -2.474 1.376) 10.594 15.705 ( 0.572 -10.977 3.310) 11.479 16.220 ( 2.715 -0.732 8.895) 9.328 17.825 ( 2.595 4.572 -5.936) 7.929 18.058 ( 6.074 -8.511 -6.927) 12.543 18.187 ( 2.627 -0.519 -0.266) 2.691 18.242 ( 3.317 8.416 -0.165) 9.047 ======================= Grid point 48 (40/148) ======================= q-point: ( 0.21 -0.04 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -20.055 -0.000 16.104) 25.720 1.338 ( -27.645 -0.000 2.533) 27.761 2.658 ( -46.434 -0.000 26.088) 53.260 2.699 ( -15.345 -0.000 0.101) 15.345 2.885 ( -2.274 0.000 -7.202) 7.553 3.350 ( -7.832 -0.000 11.687) 14.069 4.142 ( 7.296 0.000 -12.791) 14.726 4.157 ( 14.929 0.000 1.529) 15.007 4.311 ( 0.644 -0.000 2.526) 2.606 4.594 ( -1.989 -0.000 -0.951) 2.205 4.665 ( 4.031 0.000 -1.346) 4.250 4.948 ( -7.276 -0.000 5.553) 9.153 5.134 ( 1.689 -0.000 13.911) 14.013 5.774 ( -16.276 -0.000 -2.746) 16.506 7.539 ( 4.468 0.000 -9.678) 10.660 7.809 ( 11.259 0.000 -4.829) 12.251 7.842 ( 13.130 0.000 2.541) 13.374 8.271 ( -4.099 -0.000 1.036) 4.228 8.438 ( -38.184 -0.000 -3.245) 38.321 9.100 ( 2.912 0.000 -2.733) 3.993 9.271 ( -4.636 -0.000 5.843) 7.459 10.194 ( -7.329 0.000 -7.665) 10.605 10.373 ( 8.162 0.000 3.366) 8.829 10.561 ( -6.194 0.000 -7.280) 9.558 11.106 ( 0.825 -0.000 2.590) 2.718 11.265 ( 2.253 -0.000 4.302) 4.856 11.925 ( -4.703 -0.000 0.702) 4.755 12.267 ( -3.663 -0.000 25.438) 25.701 13.167 ( -9.421 -0.000 0.389) 9.429 13.261 ( -7.167 -0.000 9.742) 12.094 13.374 ( 4.277 0.000 -1.186) 4.438 14.213 ( -6.024 -0.000 2.792) 6.640 14.274 ( -4.248 -0.000 9.370) 10.288 14.927 ( -12.629 -0.000 -2.600) 12.894 14.976 ( -2.045 0.000 -4.920) 5.329 15.545 ( 2.651 -0.000 7.069) 7.550 15.742 ( -6.866 0.000 -21.090) 22.180 16.523 ( -1.587 -0.000 0.460) 1.652 17.355 ( 5.710 0.000 -0.507) 5.732 17.617 ( 2.455 0.000 -10.191) 10.483 18.517 ( 6.704 -0.000 9.942) 11.992 18.733 ( 1.560 -0.000 8.307) 8.453 ======================= Grid point 49 (41/148) ======================= q-point: ( 0.21 -0.04 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -18.763 19.856 8.579) 28.633 1.219 ( -19.960 20.549 18.626) 34.170 2.054 ( -26.973 37.034 32.030) 55.901 2.408 ( -11.999 -0.104 1.931) 12.154 2.910 ( 0.780 2.865 0.850) 3.089 3.191 ( -7.217 0.460 9.613) 12.030 4.194 ( 7.236 -5.621 -9.666) 13.318 4.434 ( 4.310 3.384 -0.045) 5.480 4.478 ( 6.856 4.825 -5.882) 10.241 4.582 ( -0.205 2.219 -0.736) 2.347 4.691 ( -5.719 -4.013 1.684) 7.186 4.903 ( -2.123 4.189 5.961) 7.589 5.070 ( 4.361 0.156 14.144) 14.802 5.552 ( -12.677 9.492 0.657) 15.850 7.403 ( -8.198 -10.270 -6.782) 14.788 7.766 ( -16.996 3.696 -3.055) 17.660 7.932 ( 3.269 -10.447 -5.542) 12.269 8.025 ( 8.047 -7.988 1.772) 11.476 8.253 ( -2.175 5.431 3.888) 7.024 9.072 ( 3.906 -8.110 -0.844) 9.041 9.253 ( -2.480 3.513 2.802) 5.132 9.761 ( -22.910 -13.917 -3.500) 27.033 10.337 ( -1.063 -1.997 0.419) 2.301 10.508 ( -3.020 -6.041 9.434) 11.602 10.953 ( 2.198 7.599 5.993) 9.924 11.373 ( 0.718 5.934 5.253) 7.957 11.998 ( -2.391 14.767 0.185) 14.960 12.911 ( 0.695 4.181 0.092) 4.239 13.052 ( 1.804 10.964 1.753) 11.249 13.300 ( 3.712 9.934 12.474) 16.372 13.714 ( 22.816 29.690 -2.911) 37.558 14.068 ( -2.300 -6.277 2.554) 7.156 14.343 ( -1.258 13.786 9.704) 16.905 14.684 ( -8.599 -0.992 -1.003) 8.714 14.891 ( -1.190 -5.223 -3.012) 6.146 15.434 ( -20.589 0.630 -29.838) 36.257 15.592 ( -0.813 -0.861 -0.740) 1.396 16.441 ( -0.778 -4.374 0.582) 4.481 17.494 ( 2.748 4.668 -0.071) 5.417 17.743 ( 5.602 4.921 -0.650) 7.485 18.596 ( 5.591 -6.019 5.604) 9.944 18.715 ( 3.796 -8.585 12.055) 15.279 ======================= Grid point 50 (42/148) ======================= q-point: (-0.29 -0.04 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -16.442 -17.424 -8.397) 25.386 2.234 ( -7.932 -18.822 -9.675) 22.600 2.401 ( -12.271 -0.576 0.115) 12.285 2.980 ( -2.231 1.328 0.887) 2.744 3.096 ( -4.446 9.924 1.710) 11.008 3.885 ( 2.227 -0.744 5.804) 6.261 4.177 ( 1.933 -11.249 -4.245) 12.178 4.224 ( -0.083 -2.598 -3.708) 4.529 4.687 ( 4.841 -4.503 -6.249) 9.097 4.855 ( -1.495 -15.069 -11.042) 18.741 4.896 ( 0.702 -5.362 -0.790) 5.465 5.271 ( -4.172 -11.157 -5.999) 13.337 5.654 ( -0.451 -13.697 4.798) 14.520 6.052 ( -0.746 -13.979 -13.462) 19.422 6.957 ( 0.055 11.435 3.296) 11.901 7.054 ( -0.244 18.459 10.516) 21.245 7.421 ( 3.117 21.516 6.356) 22.650 7.781 ( -16.236 0.250 3.799) 16.676 8.545 ( 5.599 8.996 3.317) 11.103 8.716 ( 0.912 -11.139 -2.640) 11.484 9.225 ( -1.516 6.050 -5.724) 8.466 9.629 ( -13.083 -1.134 1.449) 13.212 10.258 ( -2.477 0.418 5.217) 5.790 10.511 ( -1.057 1.218 -9.643) 9.777 11.722 ( 7.716 -10.938 -11.216) 17.463 11.987 ( -2.604 -20.581 -3.112) 20.977 12.626 ( 0.937 -6.662 6.823) 9.582 13.090 ( -1.453 -4.434 1.022) 4.777 13.319 ( -3.132 -8.275 -6.845) 11.187 13.718 ( 0.182 8.081 -1.272) 8.182 13.808 ( 0.653 -6.827 -8.358) 10.811 14.296 ( -1.174 3.813 1.838) 4.393 14.408 ( 1.537 7.635 3.049) 8.363 14.652 ( -6.299 -0.929 1.333) 6.505 14.991 ( -10.022 -4.868 2.962) 11.529 15.184 ( -0.295 -4.876 3.871) 6.233 15.569 ( 0.864 -2.239 -2.466) 3.441 16.270 ( 0.491 1.827 7.845) 8.070 17.807 ( 2.420 -8.770 -1.081) 9.162 18.050 ( 5.647 -6.774 -5.420) 10.352 18.323 ( 1.925 9.303 -1.846) 9.678 18.482 ( 1.814 8.333 -0.846) 8.570 ======================= Grid point 51 (43/148) ======================= q-point: (-0.44 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -0.000 -6.766 -9.554) 11.707 2.310 ( -0.000 0.158 -5.459) 5.461 2.405 ( -0.000 -13.220 -17.201) 21.694 2.943 ( 0.000 9.411 0.181) 9.413 3.018 ( 0.000 15.491 -0.386) 15.495 3.855 ( -0.000 2.206 -1.072) 2.452 4.223 ( 0.000 4.817 0.330) 4.828 4.322 ( -0.000 -6.927 -2.960) 7.533 4.814 ( 0.000 -10.164 4.111) 10.964 5.003 ( -0.000 -1.987 -5.017) 5.396 5.083 ( -0.000 -13.057 -12.311) 17.945 5.350 ( -0.000 -27.006 -10.448) 28.956 5.502 ( 0.000 -4.974 2.018) 5.367 6.309 ( -0.000 -15.398 -11.989) 19.515 6.751 ( 0.000 25.049 17.707) 30.675 6.937 ( 0.000 1.549 3.490) 3.819 7.300 ( 0.000 23.067 8.335) 24.527 7.528 ( 0.000 -1.833 2.844) 3.384 8.519 ( 0.000 4.451 5.809) 7.319 8.774 ( -0.000 -8.161 -1.990) 8.400 9.372 ( -0.000 9.157 -5.484) 10.673 9.528 ( -0.000 3.456 -7.948) 8.666 10.196 ( -0.000 4.288 -2.111) 4.780 10.643 ( -0.000 5.073 -4.747) 6.947 11.967 ( -0.000 -3.925 -3.939) 5.561 12.008 ( -0.000 -26.856 -3.418) 27.072 12.568 ( -0.000 -10.212 0.208) 10.214 13.005 ( 0.000 8.520 4.875) 9.816 13.430 ( -0.000 -15.181 -7.940) 17.132 13.741 ( 0.000 3.643 1.679) 4.011 13.997 ( -0.000 2.318 -10.696) 10.944 14.180 ( 0.000 9.012 3.776) 9.771 14.342 ( 0.000 6.153 4.385) 7.556 14.630 ( 0.000 3.804 0.771) 3.881 14.768 ( -0.000 -14.784 3.069) 15.099 15.227 ( -0.000 -1.372 -5.323) 5.497 15.750 ( -0.000 3.464 -12.197) 12.680 16.130 ( 0.000 3.279 3.509) 4.802 17.821 ( -0.000 -10.871 2.664) 11.193 18.154 ( -0.000 -9.180 -0.390) 9.188 18.348 ( 0.000 8.263 1.085) 8.334 18.493 ( 0.000 8.472 3.252) 9.075 ======================= Grid point 52 (44/148) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 0.000 25.222 0.000) 25.222 0.723 ( 0.000 35.934 0.000) 35.934 1.357 ( 0.000 66.590 0.000) 66.590 2.255 ( -0.000 -0.011 -0.000) 0.011 2.876 ( 0.000 1.828 0.000) 1.828 3.041 ( 0.000 3.522 0.000) 3.522 4.422 ( -0.000 -5.482 -0.000) 5.482 4.449 ( 0.000 8.938 0.000) 8.938 4.494 ( 0.000 1.137 0.000) 1.137 4.630 ( -0.000 -2.238 -0.000) 2.238 4.673 ( -0.000 -13.888 -0.000) 13.888 4.795 ( 0.000 6.474 0.000) 6.474 4.967 ( 0.000 10.629 0.000) 10.629 5.375 ( 0.000 13.691 0.000) 13.691 7.259 ( -0.000 -9.538 -0.000) 9.538 7.617 ( 0.000 7.364 0.000) 7.364 8.038 ( -0.000 -3.375 -0.000) 3.375 8.048 ( -0.000 -13.178 -0.000) 13.178 8.180 ( 0.000 5.897 0.000) 5.897 9.134 ( -0.000 -8.864 -0.000) 8.864 9.173 ( 0.000 9.372 0.000) 9.372 9.347 ( -0.000 -5.868 -0.000) 5.868 10.310 ( 0.000 1.236 0.000) 1.236 10.370 ( -0.000 -6.767 -0.000) 6.767 10.924 ( 0.000 17.582 0.000) 17.582 11.319 ( 0.000 3.376 0.000) 3.376 11.973 ( 0.000 15.975 0.000) 15.975 12.850 ( 0.000 2.483 0.000) 2.483 13.054 ( 0.000 6.323 0.000) 6.323 13.311 ( 0.000 0.465 0.000) 0.465 14.017 ( -0.000 -6.408 -0.000) 6.408 14.158 ( 0.000 9.739 0.000) 9.739 14.596 ( -0.000 -1.787 -0.000) 1.787 14.634 ( -0.000 -3.091 -0.000) 3.091 14.901 ( -0.000 -5.280 -0.000) 5.280 15.550 ( -0.000 -3.607 -0.000) 3.607 16.078 ( 0.000 1.470 0.000) 1.470 16.093 ( 0.000 3.780 0.000) 3.780 17.524 ( 0.000 4.613 0.000) 4.613 17.823 ( -0.000 -0.438 -0.000) 0.438 18.379 ( -0.000 -1.509 -0.000) 1.509 18.659 ( -0.000 -2.155 -0.000) 2.155 ======================= Grid point 53 (45/148) ======================= q-point: ( 0.06 -0.06 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 27.265 19.082 0.000) 33.279 1.542 ( 10.320 30.196 0.000) 31.911 2.390 ( 11.554 1.138 0.000) 11.610 2.781 ( 15.075 53.674 0.000) 55.750 2.951 ( 2.847 1.403 0.000) 3.174 3.159 ( 2.664 6.496 0.000) 7.021 4.167 ( -8.091 -5.109 -0.000) 9.569 4.466 ( 2.924 -8.648 0.000) 9.129 4.489 ( -2.706 0.993 -0.000) 2.883 4.669 ( 6.638 1.576 0.000) 6.822 4.718 ( 5.608 0.065 0.000) 5.608 5.015 ( -10.473 10.181 -0.000) 14.606 5.043 ( -3.954 24.136 -0.000) 24.457 5.728 ( 6.498 8.217 0.000) 10.476 7.208 ( 9.141 -12.816 0.000) 15.742 7.675 ( -4.155 -18.185 -0.000) 18.654 7.849 ( -5.487 -9.965 -0.000) 11.376 7.878 ( 14.771 2.339 0.000) 14.955 8.366 ( 1.246 10.068 0.000) 10.144 8.876 ( -3.681 -13.244 -0.000) 13.746 9.336 ( 9.094 -3.016 0.000) 9.581 9.580 ( 19.029 3.165 0.000) 19.291 10.233 ( 0.361 -6.123 -0.000) 6.134 10.373 ( 2.282 2.774 0.000) 3.592 11.194 ( -10.140 14.348 -0.000) 17.569 11.521 ( 5.371 14.655 0.000) 15.608 12.403 ( 0.270 24.032 0.000) 24.034 12.963 ( 4.629 2.339 0.000) 5.187 13.281 ( 4.753 8.304 0.000) 9.568 13.287 ( -5.990 6.274 -0.000) 8.674 13.864 ( 2.732 -10.594 0.000) 10.940 14.144 ( -18.020 12.576 -0.000) 21.974 14.619 ( 3.793 15.478 0.000) 15.936 14.652 ( 9.264 -2.722 0.000) 9.656 14.773 ( 3.406 -8.944 0.000) 9.570 15.427 ( -2.612 -6.544 -0.000) 7.046 16.104 ( -1.867 3.347 -0.000) 3.833 16.245 ( 4.199 -0.905 0.000) 4.295 17.616 ( -2.975 7.283 -0.000) 7.868 17.732 ( -5.055 -0.798 -0.000) 5.118 18.310 ( -2.384 -2.672 -0.000) 3.581 18.585 ( -0.906 -4.672 -0.000) 4.759 ======================= Grid point 54 (46/148) ======================= q-point: (-0.44 -0.06 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 6.261 -10.370 -19.023) 22.552 2.297 ( 12.572 -6.519 -16.240) 21.547 2.495 ( 12.541 0.790 -9.196) 15.571 3.063 ( -4.594 4.753 -5.482) 8.588 3.394 ( 6.490 11.079 -4.659) 13.659 3.873 ( -2.841 2.184 -1.348) 3.829 3.972 ( -0.028 -22.426 -17.827) 28.648 4.284 ( -5.638 1.902 0.166) 5.952 4.527 ( -2.831 -9.565 4.427) 10.913 4.808 ( 0.358 -7.179 -6.100) 9.427 4.889 ( 2.415 -4.827 -10.973) 12.229 5.164 ( 2.257 -5.661 1.611) 6.304 5.391 ( 4.220 -10.203 -3.755) 11.662 6.024 ( 2.366 -13.290 -9.510) 16.512 6.973 ( -1.652 3.561 9.554) 10.329 7.191 ( -2.515 18.594 16.744) 25.148 7.634 ( 3.092 8.246 4.867) 10.062 7.711 ( 13.808 3.777 4.628) 15.045 8.596 ( -1.041 -5.066 -3.511) 6.251 8.628 ( -3.776 8.605 8.553) 12.707 9.531 ( -0.455 8.475 -11.856) 14.581 9.744 ( 7.615 5.817 -6.788) 11.743 10.322 ( 1.249 5.912 -4.536) 7.556 10.818 ( 2.507 9.913 -10.310) 14.521 11.444 ( -0.775 -26.105 -2.988) 26.286 11.818 ( -3.939 -7.107 -6.244) 10.248 12.324 ( 2.878 -14.844 -0.822) 15.142 13.038 ( -4.870 -0.225 -0.307) 4.885 13.281 ( 6.068 -6.459 -4.367) 9.879 13.688 ( -4.488 -5.227 2.758) 7.421 14.122 ( 2.663 5.418 -12.337) 13.735 14.244 ( -3.187 -8.231 -6.452) 10.933 14.449 ( 5.730 -2.410 6.787) 9.204 14.533 ( -0.075 7.611 5.713) 9.517 14.829 ( 8.687 0.772 4.899) 10.003 15.142 ( -0.071 -6.097 -12.176) 13.617 15.851 ( 0.677 5.773 -16.445) 17.442 16.246 ( 2.554 6.004 2.908) 7.143 17.576 ( -2.654 -10.306 4.369) 11.504 17.893 ( -5.821 -10.897 0.807) 12.381 18.465 ( -1.456 5.161 2.826) 6.062 18.667 ( -1.188 10.167 4.207) 11.067 ======================= Grid point 55 (47/148) ======================= q-point: (-0.44 -0.06 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 7.190 -3.525 -21.222) 22.683 2.339 ( 8.533 -19.829 -20.890) 30.040 2.755 ( 12.399 -0.755 -3.022) 12.785 2.957 ( -7.303 -0.598 -9.025) 11.625 3.500 ( -1.732 -0.104 -1.248) 2.137 3.734 ( -1.023 -1.901 1.484) 2.619 3.947 ( 11.609 -5.702 -17.011) 21.370 4.178 ( -6.164 2.562 0.093) 6.676 4.463 ( 3.202 5.013 -2.738) 6.549 4.671 ( 1.431 -7.229 -3.571) 8.189 4.780 ( -2.026 -6.798 -4.385) 8.340 5.251 ( 4.997 1.997 -5.692) 7.833 5.403 ( 7.112 0.962 -4.873) 8.675 5.849 ( 5.297 -11.508 -3.515) 13.148 6.953 ( -6.813 2.023 15.837) 17.359 7.364 ( -6.328 8.157 13.843) 17.269 7.743 ( -5.848 5.705 4.198) 9.185 8.239 ( 28.521 1.612 3.724) 28.809 8.469 ( 4.581 -6.548 -5.083) 9.471 8.785 ( -2.775 10.588 8.705) 13.985 9.703 ( 2.169 6.041 -13.535) 14.980 9.968 ( 3.760 4.484 -2.014) 6.189 10.438 ( -1.591 5.179 -5.954) 8.050 10.846 ( -1.807 -15.695 -6.410) 17.049 11.212 ( 1.900 5.115 -6.460) 8.456 11.548 ( -7.664 -5.937 -5.830) 11.312 12.133 ( 5.054 -11.643 -2.727) 12.982 12.941 ( -5.404 1.324 -2.437) 6.074 13.273 ( 3.896 -5.203 -2.996) 7.157 13.356 ( -2.952 -13.315 3.712) 14.134 14.014 ( -0.791 -2.217 -20.587) 20.721 14.344 ( 6.847 2.406 -6.460) 9.716 14.628 ( -2.885 5.685 4.892) 8.035 14.644 ( 8.131 -0.747 5.777) 10.002 14.925 ( 3.852 -5.131 3.140) 7.143 15.102 ( 4.334 0.400 -1.731) 4.684 16.004 ( 3.382 5.082 -19.753) 20.675 16.473 ( 6.273 6.762 -0.370) 9.231 17.313 ( -5.711 -7.007 5.918) 10.804 17.510 ( -9.981 -9.568 2.154) 13.993 18.507 ( -1.939 2.749 2.733) 4.335 18.832 ( -0.146 7.048 4.123) 8.167 ======================= Grid point 56 (48/148) ======================= q-point: ( 0.06 -0.06 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 19.752 15.927 0.000) 25.373 2.280 ( 8.311 23.170 0.000) 24.616 2.691 ( 12.473 1.561 0.000) 12.571 3.015 ( 1.851 -0.011 0.000) 1.851 3.286 ( 8.302 1.129 0.000) 8.379 4.033 ( -1.245 1.764 -0.000) 2.159 4.135 ( 17.259 32.598 0.000) 36.885 4.319 ( 0.717 -10.153 -0.000) 10.178 4.447 ( -4.258 10.373 -0.000) 11.213 4.755 ( -7.962 3.408 -0.000) 8.661 4.772 ( 2.580 -2.195 0.000) 3.387 5.151 ( 5.938 11.021 0.000) 12.519 5.543 ( -2.527 29.994 -0.000) 30.100 5.875 ( -0.280 -0.578 -0.000) 0.642 7.053 ( 0.701 -14.580 -0.000) 14.597 7.244 ( -1.118 -13.008 -0.000) 13.056 7.422 ( -7.779 -17.988 -0.000) 19.598 8.240 ( 17.854 -2.948 0.000) 18.096 8.438 ( -10.282 -15.491 -0.000) 18.593 8.583 ( -1.573 10.712 -0.000) 10.827 9.516 ( 22.077 -10.380 0.000) 24.396 10.082 ( 12.806 6.760 0.000) 14.480 10.179 ( 2.062 -1.485 0.000) 2.541 10.598 ( 12.313 9.600 0.000) 15.613 11.167 ( -15.536 11.436 -0.000) 19.291 11.925 ( 0.973 14.555 0.000) 14.587 12.798 ( -5.016 17.044 -0.000) 17.767 13.027 ( 3.061 -9.260 0.000) 9.753 13.387 ( -5.123 16.615 -0.000) 17.386 13.424 ( 0.475 0.313 0.000) 0.568 13.833 ( 10.412 -2.039 0.000) 10.610 14.150 ( -5.965 12.160 -0.000) 13.545 14.547 ( 2.914 -13.981 0.000) 14.282 15.041 ( 21.408 1.134 0.000) 21.438 15.092 ( 7.540 10.208 0.000) 12.691 15.187 ( -4.398 -2.806 -0.000) 5.217 16.136 ( -3.321 5.094 -0.000) 6.081 16.244 ( -1.365 -1.807 -0.000) 2.264 17.627 ( -2.189 -1.338 -0.000) 2.566 17.680 ( -4.984 7.365 -0.000) 8.893 18.193 ( -3.670 -1.866 -0.000) 4.117 18.420 ( -2.951 -8.032 -0.000) 8.557 ======================= Grid point 57 (49/148) ======================= q-point: ( 0.06 -0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 2.448 12.434 0.000) 12.673 2.791 ( 6.019 11.827 0.000) 13.271 2.869 ( 3.911 -1.416 0.000) 4.160 3.030 ( -2.043 2.170 -0.000) 2.980 3.557 ( 16.523 0.209 0.000) 16.525 4.079 ( -5.232 -5.952 -0.000) 7.925 4.166 ( 6.625 0.521 0.000) 6.645 4.281 ( 0.162 -2.111 -0.000) 2.117 4.623 ( -5.286 -9.680 -0.000) 11.029 4.625 ( -8.043 3.492 -0.000) 8.768 5.246 ( 9.461 29.489 0.000) 30.969 5.548 ( 8.626 6.300 0.000) 10.681 5.686 ( -7.058 -9.447 -0.000) 11.793 5.954 ( -6.284 11.950 -0.000) 13.502 6.742 ( 1.655 -7.392 0.000) 7.575 6.891 ( -4.655 -17.992 -0.000) 18.585 7.320 ( 10.668 8.983 0.000) 13.946 7.871 ( -14.426 -13.005 -0.000) 19.423 8.456 ( 8.997 -3.077 0.000) 9.508 8.720 ( -5.641 10.387 -0.000) 11.820 9.834 ( 30.590 -14.065 0.000) 33.669 10.238 ( 1.881 2.148 0.000) 2.855 10.282 ( 0.656 3.551 0.000) 3.611 11.011 ( -21.808 11.681 -0.000) 24.739 11.247 ( 22.137 11.606 0.000) 24.995 12.014 ( -11.790 1.394 -0.000) 11.873 12.756 ( 1.347 -14.658 0.000) 14.720 12.907 ( -7.148 10.029 -0.000) 12.315 13.325 ( 5.316 -15.906 0.000) 16.771 13.647 ( -6.993 17.789 -0.000) 19.114 14.176 ( 9.115 1.172 0.000) 9.190 14.346 ( -0.234 13.071 0.000) 13.073 14.353 ( 6.658 -4.627 0.000) 8.108 14.768 ( -9.896 -11.816 -0.000) 15.412 15.420 ( 16.713 -8.742 0.000) 18.861 15.636 ( 9.391 13.105 0.000) 16.122 16.118 ( -6.134 -2.904 -0.000) 6.787 16.174 ( -4.694 8.037 -0.000) 9.307 17.595 ( 0.856 -1.377 0.000) 1.621 17.707 ( -4.188 4.781 -0.000) 6.356 18.137 ( -1.942 3.783 -0.000) 4.252 18.157 ( -3.269 -10.248 -0.000) 10.757 ======================= Grid point 58 (50/148) ======================= q-point: (-0.44 -0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 4.829 0.000 -15.332) 16.075 2.127 ( 3.410 0.000 -13.354) 13.782 2.809 ( -4.461 0.000 -5.664) 7.210 2.944 ( 5.615 0.000 -1.287) 5.761 3.408 ( -5.131 -0.000 3.198) 6.046 3.685 ( -1.997 -0.000 2.975) 3.583 4.049 ( -4.263 -0.000 0.320) 4.275 4.151 ( 6.474 0.000 -4.697) 7.998 4.685 ( 3.321 0.000 -0.053) 3.322 4.697 ( 3.894 0.000 -4.999) 6.337 4.775 ( 16.299 0.000 -12.476) 20.526 5.295 ( -0.508 0.000 -2.728) 2.775 5.436 ( -5.817 0.000 -5.606) 8.078 5.949 ( 11.557 0.000 -0.776) 11.583 6.773 ( -10.312 -0.000 14.320) 17.646 7.286 ( -7.008 -0.000 8.643) 11.127 7.691 ( -3.715 -0.000 1.963) 4.202 8.359 ( -0.884 0.000 -3.035) 3.161 8.858 ( -1.148 -0.000 4.455) 4.601 9.056 ( 37.642 0.000 5.936) 38.107 9.815 ( 1.905 0.000 -9.543) 9.731 10.082 ( 1.805 0.000 -0.228) 1.819 10.318 ( -17.821 -0.000 -6.932) 19.121 10.632 ( 1.861 0.000 -2.481) 3.102 11.232 ( -1.997 0.000 -3.414) 3.955 11.356 ( -5.207 -0.000 -3.034) 6.026 12.099 ( 3.471 0.000 -2.322) 4.176 12.947 ( 1.978 0.000 -7.033) 7.306 13.147 ( -2.512 -0.000 3.228) 4.090 13.274 ( 0.672 -0.000 0.784) 1.033 14.011 ( 0.628 0.000 -13.516) 13.531 14.516 ( 7.647 0.000 -2.411) 8.018 14.641 ( -2.323 -0.000 4.483) 5.049 14.688 ( 0.566 0.000 -5.434) 5.464 14.923 ( -0.084 -0.000 4.540) 4.541 15.247 ( 7.355 -0.000 8.024) 10.885 16.169 ( 5.958 0.000 -18.883) 19.801 16.720 ( 8.706 0.000 -3.145) 9.257 17.093 ( -7.884 -0.000 6.177) 10.015 17.159 ( -11.042 -0.000 4.834) 12.054 18.499 ( -1.431 -0.000 1.538) 2.100 18.912 ( 0.462 -0.000 2.199) 2.247 ======================= Grid point 59 (51/148) ======================= q-point: (-0.44 -0.06 0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -0.000 6.771 0.000) 6.771 2.442 ( -0.000 23.826 -0.000) 23.826 2.814 ( -0.000 5.553 -0.000) 5.553 3.029 ( -0.000 3.676 0.000) 3.676 3.347 ( -0.000 -0.296 0.000) 0.296 3.663 ( -0.000 -0.376 0.000) 0.376 4.081 ( -0.000 5.392 0.000) 5.392 4.188 ( -0.000 -0.623 0.000) 0.623 4.600 ( -0.000 -10.589 0.000) 10.589 4.705 ( -0.000 -2.425 0.000) 2.425 5.133 ( -0.000 1.204 0.000) 1.204 5.221 ( 0.000 6.749 -0.000) 6.749 5.466 ( -0.000 8.151 0.000) 8.151 6.056 ( -0.000 -2.290 0.000) 2.290 6.640 ( -0.000 -0.464 0.000) 0.464 7.194 ( -0.000 -0.686 0.000) 0.686 7.588 ( -0.000 -6.318 -0.000) 6.318 8.389 ( -0.000 3.801 0.000) 3.801 8.708 ( -0.000 -13.238 0.000) 13.238 9.618 ( 0.000 -4.888 -0.000) 4.888 9.691 ( -0.000 -11.347 0.000) 11.347 9.902 ( -0.000 -3.136 0.000) 3.136 10.238 ( -0.000 11.886 0.000) 11.886 10.747 ( -0.000 8.978 0.000) 8.978 11.312 ( 0.000 0.507 -0.000) 0.507 11.315 ( -0.000 9.729 0.000) 9.729 12.277 ( -0.000 13.329 0.000) 13.329 12.804 ( -0.000 -8.951 0.000) 8.951 13.313 ( -0.000 4.030 0.000) 4.030 13.338 ( -0.000 13.513 0.000) 13.513 14.002 ( -0.000 -1.349 -0.000) 1.349 14.517 ( -0.000 -7.065 0.000) 7.065 14.633 ( -0.000 -0.851 0.000) 0.851 14.784 ( -0.000 7.615 0.000) 7.615 14.901 ( 0.000 1.142 -0.000) 1.142 15.336 ( -0.000 0.057 0.000) 0.057 16.136 ( -0.000 -9.792 0.000) 9.792 16.729 ( -0.000 -11.879 0.000) 11.879 17.014 ( -0.000 11.820 0.000) 11.820 17.258 ( -0.000 13.895 0.000) 13.895 18.453 ( -0.000 -2.919 0.000) 2.919 18.841 ( -0.000 -7.462 0.000) 7.462 ======================= Grid point 61 (52/148) ======================= q-point: ( 0.06 -0.06 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -9.707 -6.667 -0.000) 11.776 2.776 ( -8.165 -4.333 -0.000) 9.244 3.043 ( -5.975 4.606 -0.000) 7.544 3.058 ( -0.269 7.391 0.000) 7.396 3.792 ( -9.653 -5.823 -0.000) 11.273 3.909 ( 14.346 -0.929 0.000) 14.376 4.261 ( -3.767 -8.164 -0.000) 8.991 4.262 ( 3.534 -3.078 0.000) 4.686 4.331 ( 6.188 -2.775 0.000) 6.782 4.682 ( 3.550 4.669 0.000) 5.865 5.083 ( -22.458 -16.755 -0.000) 28.020 5.550 ( -0.772 -19.091 -0.000) 19.107 5.593 ( -10.105 -8.033 -0.000) 12.909 5.878 ( -1.879 12.503 -0.000) 12.643 6.800 ( 8.963 6.517 0.000) 11.082 6.970 ( 13.354 7.349 0.000) 15.243 7.431 ( -9.425 -3.547 -0.000) 10.070 7.922 ( 12.914 21.929 0.000) 25.449 8.512 ( 2.317 -2.800 0.000) 3.634 8.771 ( -9.511 10.607 -0.000) 14.246 10.131 ( 20.641 -12.667 0.000) 24.218 10.299 ( -1.572 2.481 -0.000) 2.937 10.387 ( 5.956 3.091 0.000) 6.711 10.722 ( -27.907 10.950 -0.000) 29.978 11.455 ( -21.925 -16.185 -0.000) 27.252 11.739 ( 11.577 -1.472 0.000) 11.670 12.641 ( 2.797 -5.441 0.000) 6.118 13.017 ( -0.926 10.906 -0.000) 10.945 13.058 ( 7.884 -22.711 0.000) 24.041 13.683 ( -10.257 1.918 -0.000) 10.435 13.979 ( 2.885 -17.791 0.000) 18.023 14.364 ( -12.347 -0.616 -0.000) 12.362 14.632 ( 0.449 12.847 0.000) 12.855 14.787 ( 11.413 11.951 0.000) 16.525 15.289 ( 2.026 -21.432 0.000) 21.528 15.841 ( -3.579 -10.808 -0.000) 11.385 15.982 ( -5.026 11.355 -0.000) 12.417 16.284 ( -2.643 9.302 -0.000) 9.670 17.526 ( 0.441 -7.547 -0.000) 7.560 17.696 ( -3.811 3.056 -0.000) 4.885 18.003 ( 4.050 -3.545 0.000) 5.382 18.283 ( 2.577 8.640 0.000) 9.016 ======================= Grid point 62 (53/148) ======================= q-point: ( 0.06 -0.06 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -18.902 -11.358 -0.000) 22.052 2.299 ( -16.676 -16.953 -0.000) 23.780 2.929 ( -9.764 1.112 -0.000) 9.828 3.124 ( -4.888 4.773 -0.000) 6.832 3.460 ( -10.935 -5.118 -0.000) 12.073 3.908 ( -26.886 -28.662 -0.000) 39.298 3.926 ( 2.496 -5.184 0.000) 5.753 4.300 ( 16.774 -7.673 0.000) 18.445 4.412 ( -3.986 1.433 -0.000) 4.236 4.500 ( 3.797 5.900 0.000) 7.016 4.795 ( 2.362 -4.642 0.000) 5.208 5.080 ( -7.172 -12.874 -0.000) 14.737 5.130 ( -10.227 -10.174 -0.000) 14.426 6.007 ( -6.286 5.531 -0.000) 8.373 7.251 ( 9.086 12.447 0.000) 15.411 7.385 ( 3.718 6.056 0.000) 7.106 7.416 ( 14.809 6.055 0.000) 15.999 8.446 ( -2.167 -3.747 -0.000) 4.329 8.587 ( 9.551 19.001 0.000) 21.266 8.729 ( -16.516 10.881 -0.000) 19.778 10.073 ( -25.836 -7.753 -0.000) 26.974 10.223 ( 5.485 -2.156 0.000) 5.893 10.365 ( -10.869 2.931 -0.000) 11.258 10.624 ( 13.932 -3.041 0.000) 14.260 10.781 ( -18.892 -1.459 -0.000) 18.948 11.661 ( -0.904 -14.054 -0.000) 14.083 12.447 ( -2.070 -15.735 -0.000) 15.871 12.860 ( 9.768 -15.854 0.000) 18.622 13.222 ( -0.834 5.341 -0.000) 5.406 13.405 ( -7.782 -3.894 -0.000) 8.702 13.684 ( 4.804 -18.775 0.000) 19.380 14.214 ( -11.288 7.358 -0.000) 13.474 14.793 ( -3.997 -22.651 -0.000) 23.001 14.855 ( -2.495 10.774 -0.000) 11.059 15.192 ( 8.397 7.435 0.000) 11.216 15.425 ( -17.679 -5.941 -0.000) 18.651 16.016 ( -1.305 -0.208 -0.000) 1.322 16.392 ( -2.507 6.683 -0.000) 7.138 17.415 ( 5.309 -8.084 0.000) 9.671 17.700 ( -2.932 4.690 -0.000) 5.532 18.115 ( 6.665 1.048 0.000) 6.747 18.507 ( 2.779 6.717 0.000) 7.269 ======================= Grid point 63 (54/148) ======================= q-point: ( 0.56 -0.06 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -9.078 13.694 6.570) 17.694 2.875 ( 4.204 8.676 6.352) 11.545 2.952 ( -11.080 10.710 7.713) 17.233 3.048 ( -10.213 7.030 6.850) 14.164 3.422 ( 6.031 2.525 -4.911) 8.177 3.707 ( 5.300 2.191 -2.788) 6.377 3.986 ( -4.223 -10.793 3.277) 12.044 4.208 ( 1.087 2.305 2.213) 3.375 4.457 ( -0.830 -0.696 -2.692) 2.902 4.666 ( 3.150 -3.428 -1.654) 4.941 5.169 ( -6.045 20.498 7.603) 22.683 5.355 ( -7.256 5.527 11.054) 14.331 5.575 ( -3.204 4.459 2.657) 6.100 6.027 ( 2.753 2.983 1.570) 4.353 6.738 ( 9.057 -3.295 -11.187) 14.766 7.138 ( -2.790 -5.452 -7.537) 9.712 7.474 ( 5.099 -10.245 -0.204) 11.445 8.377 ( 1.325 -17.640 -4.913) 18.359 8.497 ( 0.002 4.543 -0.360) 4.557 9.041 ( -26.812 -2.388 6.271) 27.639 9.568 ( -0.337 -9.968 -4.681) 11.017 9.856 ( 3.178 -6.847 2.320) 7.897 10.445 ( -4.058 6.616 0.045) 7.762 11.057 ( -1.557 6.658 9.149) 11.422 11.242 ( 3.316 3.887 8.242) 9.697 11.600 ( 5.000 11.194 -3.480) 12.744 12.531 ( -5.939 14.440 1.852) 15.723 12.808 ( 6.064 4.859 -2.791) 8.257 13.417 ( 0.545 4.748 3.169) 5.734 13.582 ( -0.818 10.347 -3.732) 11.030 14.025 ( 3.247 3.814 10.214) 11.377 14.339 ( -0.764 -10.027 3.072) 10.515 14.500 ( -5.631 -5.487 0.113) 7.863 14.801 ( -1.064 -1.357 -6.759) 6.976 15.116 ( -0.406 14.332 3.972) 14.878 15.239 ( -8.786 0.113 -9.180) 12.708 15.905 ( -1.016 -9.727 13.168) 16.402 16.427 ( -5.097 -10.238 1.831) 11.582 17.378 ( 6.297 13.151 -3.202) 14.928 17.586 ( 5.013 13.254 -0.498) 14.180 18.386 ( 1.506 -5.422 -0.880) 5.695 18.636 ( 0.220 -12.215 -1.702) 12.335 ======================= Grid point 64 (55/148) ======================= q-point: ( 0.56 -0.06 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -10.079 17.909 6.460) 21.542 2.708 ( -18.573 1.207 1.423) 18.666 2.803 ( -14.772 -0.064 12.230) 19.177 2.995 ( -2.250 0.076 1.073) 2.494 3.271 ( -8.575 -15.960 1.575) 18.186 3.784 ( 2.863 0.265 1.794) 3.389 4.064 ( 6.971 5.427 -2.018) 9.062 4.310 ( 0.401 1.103 3.054) 3.272 4.538 ( 10.036 4.402 -4.390) 11.805 4.749 ( 7.365 0.372 0.461) 7.389 5.239 ( -9.510 6.188 8.134) 13.961 5.527 ( -5.065 13.979 8.188) 16.974 5.684 ( -2.417 19.931 3.359) 20.356 6.271 ( 4.519 12.234 9.851) 16.344 6.699 ( 3.037 -18.436 -13.322) 22.947 6.912 ( -2.492 -6.600 -10.000) 12.238 7.265 ( 1.032 -18.138 -1.936) 18.270 8.120 ( -9.125 -4.551 -3.943) 10.932 8.388 ( -6.837 -2.877 -3.917) 8.388 8.771 ( -2.319 6.874 5.839) 9.313 9.357 ( -0.600 -8.559 1.623) 8.732 9.770 ( -2.048 -3.555 -0.015) 4.103 10.374 ( -10.515 1.786 -0.133) 10.667 10.739 ( -7.412 -7.964 8.518) 13.818 11.741 ( 11.514 10.431 10.198) 18.584 11.947 ( 6.482 13.637 -4.085) 15.642 12.589 ( -5.988 4.176 -1.874) 7.537 13.090 ( -0.258 11.995 -2.783) 12.316 13.507 ( 0.042 5.094 8.931) 10.282 13.653 ( -0.889 -0.443 -7.403) 7.469 14.067 ( -2.897 -7.971 13.796) 16.194 14.230 ( -1.163 -9.497 -7.548) 12.187 14.359 ( 3.987 7.329 5.387) 9.931 14.712 ( -5.658 1.469 -6.670) 8.869 15.032 ( -9.356 -0.298 -6.582) 11.443 15.295 ( -5.325 7.236 3.158) 9.523 15.746 ( 0.339 -4.779 12.665) 13.541 16.180 ( -1.862 -5.951 -0.923) 6.303 17.727 ( 3.580 11.393 -2.822) 12.271 17.973 ( 7.271 11.227 1.613) 13.472 18.291 ( 2.008 -7.955 -0.235) 8.208 18.419 ( 2.423 -11.030 -3.063) 11.701 ======================= Grid point 65 (56/148) ======================= q-point: ( 0.06 -0.06 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -19.399 -28.461 -0.000) 34.443 1.486 ( -26.451 -12.926 -0.000) 29.440 2.565 ( -43.444 -21.718 -0.000) 48.570 2.694 ( -18.277 0.420 -0.000) 18.281 3.046 ( -7.233 0.659 -0.000) 7.263 3.180 ( -6.696 -3.838 -0.000) 7.718 4.059 ( 11.377 4.215 0.000) 12.133 4.386 ( 2.270 -7.189 0.000) 7.539 4.456 ( 15.216 -10.685 0.000) 18.593 4.603 ( -2.094 0.998 -0.000) 2.320 4.691 ( 1.200 -2.208 0.000) 2.513 4.846 ( -8.557 2.454 -0.000) 8.902 4.907 ( -2.263 2.366 -0.000) 3.274 5.830 ( -13.216 -2.315 -0.000) 13.417 7.531 ( 2.596 9.290 0.000) 9.646 7.782 ( 11.344 7.912 0.000) 13.831 7.783 ( 11.628 2.542 0.000) 11.903 8.294 ( -4.526 -3.485 -0.000) 5.712 8.404 ( -32.038 5.191 -0.000) 32.456 9.036 ( 4.878 10.532 0.000) 11.607 9.361 ( -11.772 -13.035 -0.000) 17.564 10.237 ( -9.586 4.505 -0.000) 10.592 10.324 ( 3.811 2.466 0.000) 4.539 10.616 ( -17.127 21.347 -0.000) 27.368 10.768 ( 6.711 -5.953 0.000) 8.971 11.335 ( -1.236 -10.796 -0.000) 10.866 12.060 ( -3.686 -13.827 -0.000) 14.310 12.620 ( 12.699 -37.560 0.000) 39.649 13.100 ( -9.092 1.357 -0.000) 9.193 13.261 ( -6.291 -4.872 -0.000) 7.957 13.486 ( 6.246 -11.328 0.000) 12.936 14.144 ( -7.402 5.466 -0.000) 9.202 14.315 ( -4.353 -14.596 -0.000) 15.231 14.930 ( -9.417 3.743 -0.000) 10.134 15.004 ( -10.281 0.905 -0.000) 10.321 15.442 ( 5.482 3.292 0.000) 6.395 16.001 ( 2.436 -1.693 0.000) 2.967 16.457 ( -2.538 5.627 -0.000) 6.173 17.407 ( 5.409 -4.599 0.000) 7.100 17.749 ( -1.893 4.415 -0.000) 4.804 18.268 ( 5.295 1.172 0.000) 5.423 18.643 ( 0.935 3.074 0.000) 3.213 ======================= Grid point 66 (57/148) ======================= q-point: ( 0.06 -0.06 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -25.277 -0.000 -0.000) 25.277 0.683 ( -32.579 -0.000 -0.000) 32.579 1.222 ( -57.582 -0.000 -0.000) 57.582 2.392 ( -11.947 -0.000 -0.000) 11.947 2.909 ( -4.946 -0.000 -0.000) 4.946 3.037 ( -3.287 -0.000 -0.000) 3.287 4.324 ( 1.401 0.000 0.000) 1.401 4.467 ( 2.554 0.000 0.000) 2.554 4.506 ( 17.723 0.000 0.000) 17.723 4.622 ( 5.980 0.000 0.000) 5.980 4.729 ( 1.170 0.000 0.000) 1.170 4.760 ( -4.381 -0.000 -0.000) 4.381 4.936 ( -2.631 -0.000 -0.000) 2.631 5.440 ( -17.603 -0.000 -0.000) 17.603 7.727 ( -22.819 -0.000 -0.000) 22.819 7.743 ( 3.649 0.000 0.000) 3.649 7.995 ( 6.391 0.000 0.000) 6.391 8.107 ( 4.419 0.000 0.000) 4.419 8.165 ( -3.583 -0.000 -0.000) 3.583 9.102 ( -3.293 -0.000 -0.000) 3.293 9.211 ( 1.904 0.000 0.000) 1.904 10.180 ( -3.044 -0.000 -0.000) 3.044 10.439 ( 2.336 0.000 0.000) 2.336 10.714 ( 0.281 0.000 0.000) 0.281 11.099 ( 0.788 0.000 0.000) 0.788 11.264 ( 1.872 0.000 0.000) 1.872 11.665 ( -9.022 -0.000 -0.000) 9.022 11.837 ( -2.894 -0.000 -0.000) 2.894 12.938 ( -9.916 -0.000 -0.000) 9.916 13.033 ( -4.186 -0.000 -0.000) 4.186 13.466 ( 2.452 0.000 0.000) 2.452 14.085 ( -2.808 -0.000 -0.000) 2.808 14.106 ( -2.471 -0.000 -0.000) 2.471 14.703 ( -8.459 -0.000 -0.000) 8.459 14.971 ( -1.688 -0.000 -0.000) 1.688 15.559 ( 2.757 0.000 0.000) 2.757 16.039 ( 2.249 0.000 0.000) 2.249 16.516 ( -0.064 -0.000 -0.000) 0.064 17.446 ( 2.859 0.000 0.000) 2.859 17.761 ( -1.527 -0.000 -0.000) 1.527 18.366 ( 2.731 0.000 0.000) 2.731 18.681 ( 0.078 0.000 0.000) 0.078 ======================= Grid point 67 (58/148) ======================= q-point: (-0.44 -0.06 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -17.247 -0.000 -0.000) 17.247 2.441 ( -10.540 -0.000 -0.000) 10.540 2.705 ( -3.346 -0.000 -0.000) 3.346 2.779 ( -4.946 0.000 0.000) 4.946 2.903 ( -6.459 0.000 0.000) 6.459 3.827 ( 0.617 0.000 0.000) 0.617 4.165 ( 1.067 -0.000 0.000) 1.067 4.346 ( 2.430 0.000 0.000) 2.430 4.824 ( 8.338 0.000 0.000) 8.338 4.928 ( 7.523 0.000 0.000) 7.523 5.214 ( -2.475 0.000 0.000) 2.475 5.578 ( -2.044 -0.000 -0.000) 2.044 6.079 ( -5.148 -0.000 -0.000) 5.148 6.151 ( -7.610 0.000 0.000) 7.610 6.689 ( 6.135 -0.000 -0.000) 6.135 6.770 ( 5.135 0.000 0.000) 5.135 6.994 ( -3.276 -0.000 0.000) 3.276 7.737 ( -17.064 0.000 0.000) 17.064 8.416 ( 5.634 0.000 0.000) 5.634 8.862 ( 1.019 0.000 0.000) 1.019 9.254 ( 0.234 0.000 0.000) 0.234 9.606 ( -8.724 0.000 0.000) 8.724 10.189 ( -4.596 0.000 0.000) 4.596 10.600 ( -0.863 0.000 0.000) 0.863 11.971 ( 3.812 0.000 0.000) 3.812 12.430 ( 14.978 -0.000 -0.000) 14.978 12.433 ( -7.059 0.000 0.000) 7.059 13.069 ( -11.812 0.000 0.000) 11.812 13.642 ( 3.259 0.000 -0.000) 3.259 13.646 ( 1.785 0.000 0.000) 1.785 13.975 ( 0.511 0.000 0.000) 0.511 14.017 ( -2.721 0.000 0.000) 2.721 14.376 ( -5.683 0.000 0.000) 5.683 14.656 ( -5.345 0.000 0.000) 5.345 14.942 ( -0.725 0.000 0.000) 0.725 15.240 ( -2.759 0.000 0.000) 2.759 15.715 ( 0.240 -0.000 -0.000) 0.240 16.104 ( -0.674 0.000 0.000) 0.674 17.943 ( 2.580 0.000 0.000) 2.580 18.202 ( 1.728 -0.000 0.000) 1.728 18.283 ( 1.360 -0.000 -0.000) 1.360 18.302 ( 5.158 0.000 0.000) 5.158 ======================= Grid point 69 (59/148) ======================= q-point: ( 0.42 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 0.000 7.622 2.509) 8.024 2.358 ( -0.000 8.805 -3.243) 9.383 2.622 ( 0.000 22.973 0.107) 22.973 2.852 ( -0.000 -2.669 -2.197) 3.457 2.911 ( -0.000 -6.608 -13.165) 14.731 3.904 ( -0.000 0.839 -6.837) 6.888 4.175 ( -0.000 -0.010 -0.072) 0.072 4.362 ( 0.000 0.921 1.215) 1.525 4.855 ( 0.000 -3.002 5.914) 6.632 4.894 ( 0.000 3.193 10.448) 10.925 5.138 ( 0.000 8.541 4.533) 9.669 5.693 ( -0.000 -0.117 -11.769) 11.770 5.716 ( 0.000 30.515 16.385) 34.636 6.249 ( -0.000 -14.211 -3.995) 14.762 6.735 ( -0.000 8.622 -3.326) 9.241 6.861 ( 0.000 -3.569 5.791) 6.802 6.973 ( -0.000 -24.104 -6.349) 24.926 7.579 ( -0.000 -2.910 -2.939) 4.136 8.465 ( -0.000 -5.597 1.271) 5.739 8.882 ( -0.000 0.850 -0.346) 0.918 9.180 ( 0.000 6.047 6.873) 9.154 9.579 ( -0.000 7.254 -8.727) 11.348 10.249 ( -0.000 2.203 -8.748) 9.021 10.533 ( 0.000 4.379 6.213) 7.601 11.918 ( 0.000 3.480 7.949) 8.677 12.335 ( 0.000 9.055 2.446) 9.379 12.756 ( -0.000 -0.490 -7.395) 7.411 12.828 ( -0.000 -11.883 1.740) 12.010 13.625 ( 0.000 14.847 3.983) 15.372 13.652 ( 0.000 1.117 2.745) 2.964 14.012 ( 0.000 9.088 -1.889) 9.282 14.030 ( -0.000 -10.961 -4.234) 11.750 14.297 ( -0.000 -3.569 0.608) 3.620 14.565 ( 0.000 -0.689 2.273) 2.375 14.993 ( -0.000 -3.650 -3.068) 4.768 15.213 ( 0.000 4.080 0.311) 4.091 15.716 ( -0.000 9.187 -4.927) 10.425 16.259 ( -0.000 -0.142 -12.740) 12.741 17.918 ( 0.000 -4.021 5.553) 6.856 18.193 ( 0.000 3.563 4.547) 5.777 18.255 ( 0.000 2.807 2.955) 4.076 18.342 ( -0.000 -8.269 1.046) 8.335 ======================= Grid point 70 (60/148) ======================= q-point: (-0.08 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -0.000 0.000 -31.383) 31.383 0.686 ( -0.000 0.000 -35.224) 35.224 1.104 ( -0.000 0.000 -56.894) 56.894 2.277 ( -0.000 0.000 -2.156) 2.156 2.916 ( -0.000 0.000 -6.099) 6.099 3.078 ( -0.000 0.000 -7.421) 7.421 4.337 ( 0.000 -0.000 0.137) 0.137 4.393 ( 0.000 -0.000 17.195) 17.195 4.527 ( -0.000 0.000 -4.733) 4.733 4.595 ( -0.000 0.000 -2.531) 2.531 4.769 ( 0.000 -0.000 0.351) 0.351 4.864 ( 0.000 -0.000 1.201) 1.201 5.127 ( -0.000 0.000 -17.792) 17.792 5.150 ( 0.000 -0.000 2.671) 2.671 7.395 ( 0.000 -0.000 3.600) 3.600 7.453 ( 0.000 -0.000 1.344) 1.344 8.100 ( 0.000 -0.000 6.601) 6.601 8.168 ( -0.000 0.000 -4.817) 4.817 8.323 ( 0.000 -0.000 5.245) 5.245 9.148 ( -0.000 0.000 -8.224) 8.224 9.451 ( -0.000 0.000 -4.393) 4.393 9.500 ( 0.000 -0.000 6.082) 6.082 10.324 ( -0.000 0.000 -2.661) 2.661 10.501 ( -0.000 0.000 -4.027) 4.027 11.134 ( -0.000 0.000 -2.675) 2.675 11.339 ( -0.000 0.000 -5.563) 5.563 11.813 ( -0.000 0.000 -0.693) 0.693 12.840 ( -0.000 0.000 -1.739) 1.739 13.104 ( -0.000 0.000 -11.753) 11.753 13.138 ( -0.000 0.000 -1.893) 1.893 13.473 ( 0.000 -0.000 1.721) 1.721 14.161 ( -0.000 0.000 -0.932) 0.932 14.185 ( -0.000 0.000 -13.140) 13.140 14.517 ( 0.000 -0.000 6.378) 6.378 14.742 ( -0.000 0.000 -4.187) 4.187 14.933 ( 0.000 -0.000 2.123) 2.123 15.623 ( -0.000 0.000 -3.745) 3.745 16.492 ( 0.000 -0.000 2.262) 2.262 17.478 ( 0.000 -0.000 0.105) 0.105 17.736 ( 0.000 -0.000 1.105) 1.105 18.672 ( 0.000 -0.000 1.013) 1.013 19.167 ( 0.000 -0.000 2.564) 2.564 ======================= Grid point 72 (61/148) ======================= q-point: (-0.58 -0.08 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 16.110 0.052 -3.417) 16.469 2.516 ( 2.499 -1.077 -10.559) 10.904 2.847 ( 5.255 1.373 -15.183) 16.125 2.978 ( 4.343 6.538 -4.780) 9.190 3.139 ( 6.056 19.740 -2.266) 20.772 3.920 ( -1.994 1.626 -6.810) 7.280 4.169 ( -4.883 0.138 1.119) 5.011 4.333 ( -0.508 -0.270 0.878) 1.050 4.631 ( -6.287 -8.596 5.366) 11.926 4.897 ( -4.249 -2.689 4.327) 6.634 5.214 ( 2.168 -1.084 -2.397) 3.409 5.628 ( -0.265 -5.430 -9.904) 11.298 5.732 ( 6.638 -28.443 -13.505) 32.178 6.391 ( 2.557 24.384 17.169) 29.932 6.505 ( -1.433 -18.578 -6.559) 19.754 6.742 ( -5.156 1.305 11.438) 12.614 7.199 ( 2.689 21.392 2.083) 21.661 7.704 ( 17.731 -3.090 0.042) 17.998 8.327 ( -5.198 -1.088 7.885) 9.507 8.818 ( 1.520 -6.207 -2.738) 6.952 9.384 ( -2.645 13.987 2.219) 14.407 9.811 ( 4.973 7.519 -12.871) 15.714 10.346 ( 2.025 4.744 -8.661) 10.081 10.719 ( 4.365 10.928 -1.189) 11.828 11.908 ( -4.149 -1.102 5.376) 6.880 12.086 ( -0.555 -26.802 -5.025) 27.275 12.554 ( -4.642 0.465 -2.318) 5.209 12.948 ( 4.687 -3.069 5.858) 8.106 13.582 ( -1.364 -5.184 -2.505) 5.917 13.672 ( -1.827 -3.495 -2.296) 4.563 14.097 ( -0.133 11.692 2.649) 11.989 14.202 ( 1.901 8.809 -4.433) 10.043 14.334 ( 7.250 -0.257 3.803) 8.191 14.636 ( 1.533 -2.837 -2.231) 3.921 14.825 ( 3.552 -7.390 -1.969) 8.432 15.331 ( 0.831 2.905 -4.999) 5.841 15.915 ( 1.008 10.272 -5.538) 11.713 16.274 ( 0.340 2.182 -14.968) 15.130 17.700 ( -2.537 -11.844 6.692) 13.838 18.103 ( -4.099 -11.087 0.618) 11.837 18.304 ( -1.122 5.238 2.158) 5.775 18.340 ( -1.897 8.772 9.447) 13.030 ======================= Grid point 73 (62/148) ======================= q-point: (-0.58 -0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 388 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 2.380 -5.715 -18.373) 19.388 2.736 ( 16.771 0.061 -2.494) 16.955 3.040 ( 5.941 0.285 -11.728) 13.150 3.132 ( 2.682 -2.057 -11.952) 12.421 3.487 ( -3.109 3.150 0.348) 4.439 3.813 ( -7.046 -7.953 -0.470) 10.636 4.006 ( -3.396 8.226 -0.835) 8.939 4.304 ( -0.675 -5.988 -1.247) 6.154 4.376 ( -3.975 -0.195 3.962) 5.616 4.738 ( -4.629 0.213 1.031) 4.747 5.185 ( 2.436 -14.139 -3.304) 14.722 5.435 ( 9.348 -7.995 -17.389) 21.300 5.570 ( 3.231 -5.078 -4.765) 7.676 6.168 ( -3.104 -10.940 -4.050) 12.072 6.642 ( -5.167 2.359 13.746) 14.873 6.849 ( 2.948 12.201 15.558) 19.990 7.544 ( -1.890 8.800 -0.294) 9.005 8.142 ( 21.365 3.667 2.449) 21.815 8.346 ( 1.205 9.305 11.156) 14.577 8.741 ( 7.145 -8.384 -5.790) 12.445 9.585 ( -5.330 14.121 2.319) 15.271 10.027 ( 1.985 7.011 -14.544) 16.267 10.471 ( -0.128 4.829 -6.245) 7.895 11.106 ( 7.825 9.708 -8.628) 15.163 11.463 ( -2.930 -25.369 -2.177) 25.631 11.742 ( -9.989 -4.232 -1.059) 10.901 12.442 ( 4.316 -12.129 -2.405) 13.096 12.867 ( -6.221 0.705 4.905) 7.953 13.477 ( 3.786 -8.775 -2.821) 9.965 13.502 ( -4.950 -6.488 3.827) 9.014 14.195 ( -7.619 1.694 4.280) 8.902 14.421 ( 7.578 3.005 -3.609) 8.915 14.538 ( 8.794 1.898 4.124) 9.897 14.565 ( 0.050 5.831 -15.898) 16.934 14.879 ( 6.053 -5.154 5.344) 9.580 15.306 ( -1.786 -3.582 -8.986) 9.837 16.166 ( 1.339 11.617 -8.999) 14.756 16.409 ( 4.405 6.983 -12.254) 14.776 17.389 ( -3.937 -12.260 6.130) 14.262 17.725 ( -7.992 -13.293 0.583) 15.521 18.366 ( -1.194 4.018 5.229) 6.702 18.519 ( 0.275 9.991 8.847) 13.348 ======================= Grid point 74 (63/148) ======================= q-point: (-0.08 -0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 17.489 21.278 -0.294) 27.545 2.035 ( 20.322 16.535 -11.768) 28.721 2.694 ( 14.584 0.152 -1.401) 14.652 2.954 ( 3.520 4.347 4.367) 7.097 3.327 ( 8.144 -2.082 -5.909) 10.275 3.429 ( 22.750 35.366 -14.136) 44.364 3.969 ( -4.590 0.151 4.609) 6.507 4.279 ( -4.341 -1.996 8.820) 10.031 4.593 ( -2.686 0.810 -1.459) 3.163 4.621 ( -2.884 4.648 -0.790) 5.527 4.756 ( 0.631 2.540 1.112) 2.844 5.086 ( -2.522 15.547 -7.916) 17.627 5.110 ( 6.468 7.463 -12.064) 15.591 5.880 ( 6.502 2.280 -1.515) 7.055 7.263 ( -0.082 -10.473 5.212) 11.699 7.498 ( -7.821 -14.941 4.863) 17.552 7.672 ( -9.730 -9.381 1.085) 13.559 8.306 ( 24.645 -3.700 0.293) 24.923 8.436 ( 1.814 7.496 -3.124) 8.321 8.726 ( -6.825 -15.218 3.449) 17.031 9.489 ( 13.752 1.419 7.111) 15.547 10.014 ( 16.763 -3.687 3.794) 17.578 10.336 ( 1.004 2.642 -2.693) 3.905 10.483 ( 9.863 -6.705 -6.167) 13.426 11.041 ( -11.877 11.954 -8.854) 19.036 11.636 ( 2.682 16.222 -2.040) 16.568 12.411 ( 1.628 19.197 0.359) 19.270 12.979 ( -2.609 7.108 4.289) 8.702 13.212 ( 1.386 3.366 -4.707) 5.951 13.449 ( -0.064 6.272 -9.346) 11.256 13.832 ( -9.796 17.038 0.194) 19.654 14.025 ( 7.834 -7.277 -3.564) 11.271 14.710 ( 2.726 4.348 1.758) 5.424 14.791 ( 3.457 6.380 -2.815) 7.783 14.961 ( 14.937 0.795 4.634) 15.660 15.402 ( -1.092 -7.226 -5.578) 9.194 15.760 ( 5.454 1.254 22.274) 22.966 16.369 ( 0.249 -4.333 -0.619) 4.384 17.540 ( -5.266 7.989 -0.841) 9.606 17.704 ( -4.500 2.870 -2.298) 5.811 18.339 ( -4.274 -6.815 -8.233) 11.511 18.568 ( -1.618 -6.366 -1.649) 6.772 ======================= Grid point 75 (64/148) ======================= q-point: (-0.08 -0.08 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 10.191 17.457 -2.473) 20.365 2.650 ( 13.153 8.531 -8.315) 17.746 2.924 ( 5.811 0.657 -2.115) 6.218 3.067 ( 4.495 -2.616 -1.887) 5.532 3.490 ( 12.541 -0.574 3.756) 13.104 3.919 ( -2.582 4.470 10.136) 11.375 4.179 ( -0.232 -0.759 5.802) 5.856 4.323 ( 1.910 9.097 7.780) 12.121 4.444 ( -8.759 -1.299 -2.950) 9.333 4.719 ( -3.302 -3.403 3.643) 5.979 4.871 ( 12.086 21.029 -17.617) 29.978 5.445 ( 11.106 9.207 -7.394) 16.211 5.561 ( 0.286 25.461 -3.175) 25.660 5.899 ( -1.216 -5.728 -3.509) 6.827 6.927 ( -7.767 -13.032 4.987) 15.970 7.217 ( -9.179 -15.222 1.031) 17.805 7.255 ( 4.768 -2.429 2.602) 5.950 8.167 ( -12.017 -18.507 2.576) 22.216 8.586 ( 0.471 5.993 -3.488) 6.950 8.605 ( 10.620 -5.057 -5.084) 12.815 9.801 ( 18.544 -5.593 16.496) 25.442 10.121 ( 0.142 -1.910 12.320) 12.468 10.471 ( 10.679 -2.708 -14.388) 18.121 10.805 ( 2.366 9.339 0.090) 9.634 11.045 ( 2.672 12.602 -7.607) 14.960 11.905 ( -5.728 8.495 -0.016) 10.246 12.699 ( -1.022 8.965 -0.082) 9.023 13.123 ( -2.609 -9.090 -7.440) 12.033 13.181 ( -3.134 18.925 3.880) 19.571 13.594 ( 2.710 2.068 -9.163) 9.776 14.006 ( 1.919 11.182 3.919) 12.003 14.127 ( 6.133 2.895 -2.661) 7.286 14.557 ( 2.409 -12.768 4.743) 13.832 14.976 ( -7.433 -9.814 3.589) 12.823 15.281 ( 3.736 21.463 -2.275) 21.904 15.508 ( 17.941 -1.213 -0.814) 18.000 15.855 ( 2.278 0.967 16.010) 16.200 16.251 ( -2.140 -6.377 0.634) 6.756 17.601 ( -5.291 9.970 -2.793) 11.627 17.708 ( 0.743 1.301 -5.644) 5.839 18.144 ( -3.693 -3.731 -4.131) 6.680 18.354 ( -3.502 -9.290 -0.502) 9.941 ======================= Grid point 76 (65/148) ======================= q-point: (-0.58 -0.08 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -2.319 -2.254 -14.727) 15.077 2.722 ( -7.814 -23.660 -12.362) 27.814 2.969 ( -1.370 1.159 -5.315) 5.609 3.043 ( 0.675 -3.047 -9.744) 10.232 3.390 ( -2.171 -0.763 -1.282) 2.634 3.672 ( -0.343 0.088 -1.120) 1.175 4.065 ( -1.717 -3.003 3.007) 4.583 4.172 ( -0.359 -1.152 1.521) 1.942 4.510 ( 1.349 10.332 7.195) 12.662 4.695 ( -0.219 -0.383 0.823) 0.933 5.046 ( 7.261 -5.173 -6.960) 11.310 5.310 ( -8.333 -4.770 5.240) 10.938 5.593 ( -4.823 -4.463 -5.812) 8.773 6.060 ( 6.977 0.077 -7.984) 10.603 6.586 ( 1.221 -0.346 4.493) 4.669 7.062 ( 2.567 3.303 10.348) 11.162 7.579 ( -2.867 3.901 3.763) 6.132 8.447 ( -0.561 -0.845 -2.808) 2.986 8.630 ( 4.245 13.297 4.222) 14.583 9.021 ( 32.977 -5.306 1.623) 33.440 9.717 ( -6.895 11.547 4.633) 14.225 10.176 ( -0.959 6.219 -14.208) 15.539 10.482 ( -8.148 0.472 -7.608) 11.158 10.855 ( -5.651 -16.475 -2.615) 17.612 11.358 ( 0.039 -4.098 -4.273) 5.920 11.419 ( -9.724 -1.521 -1.260) 9.923 12.257 ( 2.222 -11.936 -0.360) 12.147 12.841 ( -4.282 8.984 0.825) 9.987 13.298 ( 1.157 -8.250 1.354) 8.440 13.326 ( -0.927 -9.230 0.933) 9.324 14.044 ( -9.613 2.876 5.609) 11.495 14.571 ( 4.255 -2.364 0.994) 4.968 14.674 ( -1.301 4.525 -11.590) 12.510 14.771 ( 8.292 1.847 -0.687) 8.523 14.847 ( 0.874 -4.249 1.222) 4.507 15.229 ( 3.143 -1.954 -3.915) 5.387 16.396 ( -3.819 12.265 -12.559) 17.966 16.704 ( 7.034 9.085 -7.088) 13.501 17.033 ( -7.029 -11.761 5.690) 14.836 17.307 ( -4.326 -13.282 -0.927) 13.999 18.418 ( -0.229 2.597 4.559) 5.252 18.721 ( 2.050 6.683 9.218) 11.569 ======================= Grid point 77 (66/148) ======================= q-point: ( 0.42 -0.08 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -12.363 -0.000 2.031) 12.528 2.226 ( -14.130 0.000 -9.075) 16.794 2.859 ( -5.076 0.000 -9.965) 11.183 3.031 ( -1.077 0.000 -3.464) 3.628 3.384 ( 3.265 0.000 -3.486) 4.777 3.714 ( 3.203 0.000 -4.379) 5.425 3.975 ( -0.084 -0.000 3.382) 3.383 4.173 ( -1.456 -0.000 2.246) 2.676 4.607 ( -3.781 -0.000 12.264) 12.834 4.726 ( -0.161 -0.000 0.212) 0.266 4.936 ( -18.514 -0.000 15.318) 24.029 5.159 ( 2.082 0.000 -0.714) 2.201 5.350 ( -5.429 -0.000 4.133) 6.823 6.156 ( -2.381 0.000 -6.889) 7.288 6.759 ( 13.695 0.000 -10.701) 17.380 7.187 ( 9.023 0.000 1.479) 9.143 7.614 ( 1.591 -0.000 3.889) 4.202 8.385 ( -2.550 0.000 -3.253) 4.133 8.855 ( 4.005 0.000 -0.783) 4.081 9.639 ( 24.034 0.000 3.263) 24.255 9.723 ( -6.628 -0.000 7.762) 10.207 9.969 ( -25.116 -0.000 -5.078) 25.624 10.243 ( -1.769 0.000 -10.642) 10.788 10.676 ( -2.152 0.000 -2.379) 3.208 11.187 ( -3.024 -0.000 1.733) 3.485 11.312 ( -2.694 -0.000 -0.620) 2.764 12.127 ( -2.105 -0.000 0.912) 2.294 12.911 ( -7.791 -0.000 6.383) 10.071 13.130 ( 3.044 0.000 -1.051) 3.220 13.279 ( 1.707 0.000 -0.540) 1.791 13.876 ( -9.344 -0.000 10.973) 14.412 14.557 ( -0.021 -0.000 5.951) 5.951 14.643 ( -8.295 -0.000 3.893) 9.164 14.801 ( 0.998 0.000 -15.361) 15.393 14.936 ( 5.305 0.000 -4.245) 6.795 15.356 ( 8.137 0.000 -0.547) 8.156 16.297 ( -19.659 -0.000 -4.034) 20.069 16.777 ( -5.986 -0.000 7.621) 9.691 16.995 ( 8.896 0.000 -2.674) 9.289 17.134 ( 6.257 0.000 -11.978) 13.514 18.457 ( 1.434 -0.000 3.108) 3.423 18.833 ( 1.758 -0.000 8.233) 8.419 ======================= Grid point 78 (67/148) ======================= q-point: (-0.08 -0.08 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( 1.364 -5.026 -5.427) 7.521 2.867 ( -1.364 5.026 -5.427) 7.521 3.005 ( -1.060 -4.368 -3.758) 5.859 3.005 ( 1.060 4.368 -3.758) 5.859 3.784 ( -9.627 -3.272 9.191) 13.706 3.784 ( 9.627 3.272 9.191) 13.706 4.274 ( -6.515 0.736 1.541) 6.735 4.274 ( 6.515 -0.736 1.541) 6.735 4.475 ( -4.143 -8.529 4.507) 10.499 4.475 ( 4.143 8.529 4.507) 10.499 5.534 ( -8.241 -15.949 -7.604) 19.497 5.534 ( 8.241 15.949 -7.604) 19.497 5.832 ( -10.024 3.150 -3.506) 11.077 5.832 ( 10.024 -3.150 -3.506) 11.077 6.776 ( -3.143 -9.302 2.369) 10.100 6.776 ( 3.143 9.302 2.369) 10.100 7.560 ( -12.843 -12.460 1.262) 17.938 7.560 ( 12.843 12.460 1.262) 17.938 8.654 ( 6.136 -7.060 -5.244) 10.723 8.654 ( -6.136 7.060 -5.244) 10.723 10.018 ( -5.838 -0.655 17.366) 18.333 10.018 ( 5.838 0.655 17.366) 18.333 10.684 ( -0.948 -3.926 -12.978) 13.591 10.684 ( 0.948 3.926 -12.978) 13.591 11.641 ( -18.737 -7.752 4.546) 20.781 11.641 ( 18.737 7.752 4.546) 20.781 12.868 ( -0.201 -10.201 -6.648) 12.178 12.868 ( 0.201 10.201 -6.648) 12.178 13.499 ( 5.125 -17.408 -2.211) 18.281 13.499 ( -5.125 17.408 -2.211) 18.281 14.275 ( 4.024 -12.262 3.167) 13.288 14.275 ( -4.024 12.262 3.167) 13.288 14.540 ( -10.886 -9.525 0.809) 14.487 14.540 ( 10.886 9.525 0.809) 14.487 15.647 ( 6.969 -15.089 3.773) 17.043 15.647 ( -6.969 15.089 3.773) 17.043 16.011 ( -0.400 -12.178 5.303) 13.289 16.011 ( 0.400 12.178 5.303) 13.289 17.711 ( 3.181 -7.362 -6.766) 10.493 17.711 ( -3.181 7.362 -6.766) 10.493 18.119 ( -0.459 -6.739 -0.295) 6.761 18.119 ( 0.459 6.739 -0.295) 6.761 ======================= Grid point 82 (68/148) ======================= q-point: ( 0.42 -0.08 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 388 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -14.713 19.246 7.263) 25.291 2.326 ( -18.567 13.962 17.477) 29.070 2.719 ( -15.549 0.015 1.158) 15.592 2.914 ( 1.855 4.557 0.693) 4.968 3.438 ( -6.336 -3.973 4.880) 8.930 3.721 ( -8.539 12.330 13.059) 19.886 3.876 ( -0.239 6.825 -2.813) 7.386 4.170 ( 4.966 0.918 -1.940) 5.410 4.533 ( 2.494 5.461 -3.453) 6.926 4.723 ( -0.562 3.950 3.111) 5.059 4.794 ( -1.979 4.914 7.948) 9.551 5.189 ( 1.353 8.368 2.079) 8.728 5.341 ( -5.884 8.168 10.925) 14.856 5.943 ( -4.235 5.746 5.096) 8.770 7.118 ( 2.900 -6.956 -9.713) 12.293 7.358 ( 6.025 -14.862 -9.714) 18.749 7.636 ( 7.371 -11.170 -2.736) 13.660 8.278 ( -25.817 -2.687 -3.058) 26.136 8.509 ( -2.236 7.610 4.655) 9.197 8.650 ( 5.509 -13.998 -4.406) 15.675 9.427 ( -7.663 -3.945 2.011) 8.850 9.927 ( -8.533 -3.651 -4.878) 10.485 10.333 ( -3.997 1.983 -0.010) 4.462 10.690 ( -7.638 -8.175 12.240) 16.582 11.229 ( 9.051 15.338 9.731) 20.295 11.677 ( 0.184 15.140 1.906) 15.260 12.406 ( -3.558 16.706 -0.110) 17.081 12.939 ( 3.503 4.307 -0.310) 5.560 13.299 ( -3.005 3.749 4.660) 6.693 13.620 ( 0.466 6.195 4.932) 7.932 13.864 ( 7.403 12.976 6.558) 16.315 14.120 ( -5.844 -4.661 6.145) 9.677 14.614 ( 0.339 -8.578 -7.258) 11.242 14.824 ( -9.303 4.717 -6.010) 12.038 14.944 ( -3.389 10.208 8.329) 13.603 15.304 ( -12.991 -1.965 -17.723) 22.062 15.604 ( -0.087 -4.812 10.139) 11.223 16.350 ( -1.721 -5.960 -1.874) 6.481 17.545 ( 5.037 9.393 -0.800) 10.688 17.733 ( 7.809 9.215 0.731) 12.101 18.437 ( 3.291 -6.924 1.343) 7.783 18.632 ( 1.504 -10.189 3.778) 10.970 ======================= Grid point 86 (69/148) ======================= q-point: ( 0.27 -0.10 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 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 0.000 23.166 7.095) 24.228 2.088 ( 0.000 30.131 -0.028) 30.131 2.280 ( -0.000 2.780 -1.319) 3.077 2.948 ( -0.000 -1.542 0.186) 1.553 3.143 ( -0.000 1.701 -4.594) 4.898 3.902 ( 0.000 38.734 11.265) 40.339 4.093 ( -0.000 -1.461 -6.579) 6.740 4.230 ( -0.000 -5.776 -0.041) 5.777 4.642 ( 0.000 3.208 6.927) 7.634 4.678 ( 0.000 5.191 4.234) 6.699 4.749 ( 0.000 4.001 5.421) 6.738 5.233 ( 0.000 9.801 -0.907) 9.843 5.779 ( 0.000 23.963 11.748) 26.688 5.801 ( -0.000 8.296 -6.671) 10.645 6.897 ( 0.000 -8.590 2.782) 9.029 7.248 ( -0.000 -21.930 -6.902) 22.991 7.556 ( -0.000 -21.689 -3.503) 21.970 7.708 ( -0.000 -1.310 -4.209) 4.408 8.654 ( -0.000 -11.414 -1.516) 11.514 8.660 ( 0.000 14.501 3.394) 14.893 9.084 ( 0.000 -7.253 5.010) 8.815 9.572 ( -0.000 10.956 -8.439) 13.829 10.285 ( 0.000 -0.023 11.824) 11.824 10.358 ( -0.000 2.550 -5.846) 6.378 11.630 ( 0.000 7.005 8.163) 10.757 11.861 ( 0.000 23.707 3.485) 23.962 12.800 ( -0.000 14.543 -8.522) 16.856 13.125 ( 0.000 15.136 8.076) 17.156 13.144 ( -0.000 -7.446 -5.547) 9.285 13.564 ( 0.000 -0.946 9.098) 9.147 13.788 ( 0.000 7.811 1.028) 7.878 14.354 ( -0.000 -6.534 -4.789) 8.102 14.450 ( -0.000 -11.187 -1.254) 11.257 14.571 ( 0.000 -5.589 3.271) 6.476 14.785 ( 0.000 14.379 5.704) 15.469 15.304 ( -0.000 -6.373 -2.300) 6.775 15.796 ( -0.000 10.763 -23.902) 26.213 16.399 ( -0.000 2.143 -2.075) 2.983 17.795 ( 0.000 5.607 2.391) 6.096 17.953 ( 0.000 1.232 11.314) 11.381 18.293 ( 0.000 -6.044 2.493) 6.538 18.485 ( -0.000 -6.701 0.310) 6.708 ======================= Grid point 87 (70/148) ======================= q-point: (-0.23 -0.10 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 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -0.000 -7.649 -26.117) 27.214 1.438 ( -0.000 -9.912 -30.346) 31.924 2.316 ( -0.000 1.708 -3.207) 3.633 2.572 ( -0.000 -35.804 -43.804) 56.575 3.074 ( -0.000 1.011 -9.307) 9.362 3.258 ( -0.000 0.777 -9.348) 9.380 4.067 ( 0.000 3.434 10.487) 11.035 4.422 ( -0.000 -8.105 1.821) 8.307 4.632 ( 0.000 12.678 2.291) 12.883 4.639 ( -0.000 -0.206 -1.946) 1.957 4.686 ( -0.000 -1.853 -9.821) 9.994 4.846 ( -0.000 -5.126 -3.906) 6.444 5.258 ( 0.000 -12.186 5.782) 13.488 5.522 ( -0.000 -8.826 -13.576) 16.193 7.191 ( 0.000 6.626 4.597) 8.064 7.498 ( 0.000 -5.042 4.950) 7.066 7.808 ( 0.000 10.606 12.149) 16.127 8.069 ( 0.000 9.949 6.694) 11.991 8.348 ( -0.000 -5.601 -7.110) 9.052 9.132 ( 0.000 13.701 8.693) 16.226 9.396 ( -0.000 0.937 -14.586) 14.616 9.523 ( -0.000 5.431 -9.021) 10.530 10.360 ( -0.000 3.269 -3.044) 4.467 10.681 ( -0.000 -0.754 -10.527) 10.554 11.072 ( -0.000 -1.490 -4.987) 5.205 11.544 ( -0.000 -5.332 -9.995) 11.328 11.975 ( -0.000 -13.424 -0.486) 13.432 12.929 ( -0.000 -3.647 -4.195) 5.559 13.139 ( -0.000 0.627 -4.150) 4.197 13.539 ( -0.000 -4.004 -9.972) 10.745 13.946 ( -0.000 -36.706 11.028) 38.327 14.139 ( 0.000 3.642 -0.023) 3.642 14.379 ( 0.000 1.232 6.201) 6.322 14.626 ( -0.000 -9.523 -19.263) 21.488 14.762 ( 0.000 4.171 -0.843) 4.256 14.829 ( 0.000 4.227 3.048) 5.211 15.707 ( -0.000 2.979 -8.123) 8.652 16.394 ( 0.000 3.695 3.471) 5.070 17.509 ( 0.000 -5.072 1.903) 5.418 17.796 ( -0.000 -7.676 1.577) 7.836 18.614 ( 0.000 2.631 2.349) 3.527 18.947 ( 0.000 12.064 0.295) 12.067 ======================= Grid point 88 (71/148) ======================= q-point: (-0.23 -0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 8.354 0.000 -27.705) 28.938 1.413 ( 6.591 0.000 -29.924) 30.641 2.391 ( 15.766 0.000 -16.111) 22.542 2.572 ( 24.053 0.000 -31.305) 39.479 2.954 ( -7.569 0.000 -7.441) 10.614 3.390 ( 7.765 0.000 -9.590) 12.339 4.029 ( -5.695 -0.000 10.403) 11.860 4.354 ( 0.975 0.000 -2.289) 2.488 4.504 ( -15.946 -0.000 -0.697) 15.961 4.577 ( -1.618 0.000 -2.898) 3.319 4.746 ( -2.901 -0.000 0.684) 2.981 4.899 ( 8.951 0.000 -5.840) 10.688 5.348 ( 17.511 0.000 4.268) 18.024 5.419 ( -0.695 0.000 -12.031) 12.051 7.320 ( 1.781 -0.000 11.475) 11.612 7.667 ( 21.086 0.000 2.775) 21.268 7.866 ( -2.831 -0.000 12.003) 12.332 8.081 ( -8.886 -0.000 5.819) 10.621 8.294 ( 0.194 0.000 -5.944) 5.947 9.172 ( -7.853 -0.000 5.946) 9.850 9.376 ( 1.486 0.000 -15.831) 15.901 9.818 ( 13.162 0.000 0.819) 13.188 10.434 ( 3.327 0.000 -3.725) 4.994 10.573 ( -2.965 0.000 -5.911) 6.613 11.201 ( -0.962 0.000 -5.276) 5.363 11.453 ( -3.074 0.000 -8.576) 9.110 11.867 ( 3.070 0.000 -1.863) 3.591 12.883 ( -12.101 0.000 -11.751) 16.867 13.015 ( 4.028 0.000 -5.723) 6.999 13.344 ( -0.964 -0.000 0.261) 0.998 13.513 ( 1.241 0.000 -17.982) 18.025 14.189 ( 2.027 0.000 -3.653) 4.178 14.494 ( 0.226 0.000 -12.058) 12.061 14.648 ( 12.146 0.000 -0.252) 12.149 14.867 ( -0.647 -0.000 5.020) 5.062 15.013 ( 16.652 -0.000 10.575) 19.726 15.734 ( -0.275 0.000 -9.484) 9.488 16.463 ( 2.380 -0.000 2.021) 3.122 17.425 ( -3.175 -0.000 2.472) 4.024 17.636 ( -6.248 -0.000 2.105) 6.593 18.624 ( -1.599 -0.000 2.157) 2.685 19.002 ( -6.059 -0.000 -0.311) 6.067 ======================= Grid point 89 (72/148) ======================= q-point: ( 0.27 -0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 16.603 12.540 2.560) 20.963 2.510 ( 6.920 10.974 -3.823) 13.525 2.698 ( 3.670 25.388 -1.045) 25.673 2.941 ( 3.678 -2.176 -2.677) 5.043 3.178 ( 1.370 1.364 -9.017) 9.222 4.040 ( -0.501 0.433 -5.916) 5.953 4.137 ( -3.252 -2.025 0.664) 3.888 4.315 ( -1.523 2.427 0.579) 2.923 4.647 ( -0.958 -0.153 1.062) 1.439 4.843 ( 3.700 -2.029 6.320) 7.599 5.061 ( 2.209 21.023 4.652) 21.644 5.396 ( -1.496 15.667 10.538) 18.941 5.926 ( -0.448 2.415 -4.858) 5.444 6.218 ( -1.875 17.764 5.060) 18.566 6.690 ( -2.229 -17.488 -1.724) 17.713 6.952 ( 5.899 -1.813 -3.394) 7.043 7.033 ( -2.532 -25.593 -2.535) 25.843 7.802 ( 14.950 -3.869 -2.163) 15.593 8.368 ( -6.365 -10.593 1.676) 12.471 8.925 ( 1.291 7.944 -1.224) 8.141 9.043 ( 1.968 1.441 4.999) 5.562 9.887 ( 7.027 9.515 -12.428) 17.157 10.349 ( -0.607 5.220 6.109) 8.058 10.505 ( 7.531 8.322 -4.302) 12.020 11.693 ( -6.424 6.890 8.021) 12.372 12.278 ( -0.243 15.865 4.367) 16.457 12.675 ( -5.049 -17.892 -5.654) 19.431 13.095 ( 9.544 -9.009 -2.743) 13.408 13.388 ( -8.998 12.176 6.598) 16.515 13.694 ( 3.185 12.752 -0.986) 13.181 13.980 ( -1.721 13.581 1.329) 13.754 14.146 ( 2.058 -14.476 -3.594) 15.056 14.322 ( 2.397 -3.104 2.388) 4.592 14.663 ( 12.943 0.264 -0.133) 12.946 15.013 ( 0.864 -5.278 1.160) 5.472 15.241 ( 3.620 7.008 0.108) 7.889 15.963 ( -1.575 7.884 -19.738) 21.313 16.434 ( -2.301 3.696 -4.468) 6.238 17.747 ( -3.096 -5.595 7.239) 9.659 17.993 ( -3.501 6.467 9.341) 11.888 18.218 ( -1.151 0.184 0.404) 1.234 18.303 ( -2.400 -9.405 0.209) 9.709 ======================= Grid point 90 (73/148) ======================= q-point: ( 0.27 -0.10 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 14.459 2.562 0.119) 14.685 2.768 ( 2.188 3.952 -10.971) 11.865 3.062 ( 5.256 6.342 -5.023) 9.647 3.225 ( 1.830 17.171 3.864) 17.695 3.299 ( 5.441 4.261 -3.611) 7.798 3.967 ( -4.641 -4.231 -0.414) 6.294 4.016 ( -2.517 -4.684 -4.413) 6.910 4.273 ( -0.248 -0.982 2.018) 2.258 4.509 ( -5.585 -7.166 -2.790) 9.504 4.743 ( -3.372 -4.534 3.246) 6.517 5.369 ( 7.317 0.902 -3.273) 8.067 5.677 ( -6.790 4.411 -5.083) 9.561 5.908 ( -2.124 2.936 6.396) 7.351 6.288 ( -6.752 -7.926 2.472) 10.702 6.362 ( 3.458 -3.185 2.718) 5.430 6.600 ( 4.829 -10.522 3.028) 11.967 7.363 ( 7.974 19.045 -5.841) 21.457 7.971 ( -6.895 -3.760 4.756) 9.182 8.181 ( 17.569 -2.454 3.711) 18.124 9.018 ( 13.438 -9.518 -4.200) 16.994 9.196 ( -7.569 15.937 4.450) 18.196 10.151 ( 3.003 6.905 -11.861) 14.049 10.437 ( -1.964 6.369 -0.778) 6.710 11.003 ( 15.511 12.352 -5.198) 20.498 11.628 ( -10.492 3.933 6.995) 13.209 12.096 ( -9.073 -22.608 -4.489) 24.771 12.515 ( 2.939 4.423 2.679) 5.948 12.938 ( 0.791 -16.278 1.863) 16.404 13.357 ( -9.482 6.498 6.002) 12.967 13.816 ( 1.015 -10.284 -6.486) 12.201 14.043 ( -1.999 4.195 2.590) 5.320 14.329 ( 7.640 12.928 -0.377) 15.022 14.427 ( 8.492 1.480 3.517) 9.310 14.720 ( -4.883 -3.580 -6.288) 8.729 14.975 ( 10.406 -6.450 1.306) 12.312 15.499 ( 5.531 2.211 -6.121) 8.541 16.092 ( -0.973 9.226 -11.901) 15.089 16.470 ( -3.518 6.817 -4.005) 8.654 17.545 ( -2.020 -8.406 0.956) 8.698 17.962 ( -6.480 -7.969 3.431) 10.830 18.080 ( -1.174 0.900 10.522) 10.626 18.263 ( -0.954 6.282 0.672) 6.389 ======================= Grid point 92 (74/148) ======================= q-point: (-0.23 -0.10 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 14.432 15.676 -2.747) 21.484 2.644 ( 11.928 18.847 -14.009) 26.339 2.889 ( 1.782 3.519 0.168) 3.948 3.028 ( 11.584 3.348 2.171) 12.252 3.513 ( 0.362 3.187 3.539) 4.776 3.749 ( -2.301 -3.533 -0.156) 4.219 3.951 ( 2.210 -0.365 2.788) 3.576 4.162 ( 2.837 4.287 -2.289) 5.627 4.495 ( -1.233 1.527 1.408) 2.416 4.704 ( -2.430 -1.866 1.789) 3.548 4.889 ( 9.723 16.279 -17.778) 25.992 5.221 ( 3.807 9.794 -4.782) 11.545 5.470 ( 6.255 6.491 -8.698) 12.526 6.007 ( 2.029 -0.479 -0.587) 2.165 6.964 ( -11.808 -5.959 11.735) 17.682 7.264 ( -2.466 -6.049 5.498) 8.538 7.475 ( -7.291 -10.742 -0.425) 12.990 8.469 ( -1.810 -7.288 3.405) 8.245 8.494 ( -3.377 -4.705 0.462) 5.810 8.902 ( 21.232 -8.653 -7.690) 24.183 9.658 ( 14.143 -4.113 7.263) 16.423 9.955 ( -5.404 -5.597 10.051) 12.710 10.440 ( 4.839 11.696 -1.304) 12.724 10.893 ( 7.573 2.902 -7.320) 10.925 11.055 ( -2.330 1.654 -11.140) 11.501 11.653 ( -2.468 14.297 1.741) 14.612 12.488 ( 4.323 15.082 -2.280) 15.854 12.840 ( -5.791 7.708 0.801) 9.675 13.338 ( 0.998 0.737 -4.567) 4.733 13.635 ( 0.670 12.768 0.533) 12.797 13.756 ( -1.244 6.149 -13.094) 14.520 14.280 ( 8.053 -8.189 -3.307) 11.952 14.619 ( 1.012 -6.751 8.888) 11.207 14.952 ( 0.664 0.648 8.326) 8.377 14.976 ( 1.361 13.543 -7.053) 15.330 15.501 ( 1.321 2.184 12.546) 12.803 15.699 ( 12.602 -8.075 -5.592) 15.977 16.407 ( 3.934 -9.045 -0.551) 9.879 17.411 ( -7.368 11.060 0.442) 13.297 17.605 ( -4.244 10.399 1.515) 11.333 18.375 ( -2.439 -6.311 -2.622) 7.257 18.600 ( -1.553 -11.058 -4.547) 12.057 ======================= Grid point 93 (75/148) ======================= q-point: ( 0.27 -0.10 -0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -6.708 -2.610 -11.955) 13.955 2.981 ( -1.095 2.218 0.284) 2.489 3.168 ( -9.375 -3.953 0.370) 10.181 3.340 ( -1.069 -3.371 -7.338) 8.146 3.476 ( 9.085 1.134 -0.792) 9.190 3.785 ( -2.481 -8.145 -10.838) 13.782 3.911 ( -0.668 3.883 6.536) 7.632 4.215 ( -3.166 -8.488 3.754) 9.806 4.293 ( 3.991 -0.113 2.777) 4.863 4.686 ( -0.251 0.808 0.339) 0.912 5.270 ( -1.166 -11.659 -0.184) 11.719 5.364 ( -16.666 -5.944 -1.720) 17.778 5.743 ( -12.184 -9.922 6.504) 17.006 6.153 ( -0.109 7.964 -5.823) 9.867 6.539 ( 11.825 3.738 -3.150) 12.796 6.817 ( 14.914 2.159 8.332) 17.219 7.505 ( -5.878 -1.187 -1.600) 6.207 8.191 ( 7.534 21.042 4.492) 22.798 8.458 ( 5.300 1.469 0.555) 5.528 9.215 ( 23.802 -9.483 -3.020) 25.799 9.335 ( -6.236 13.579 4.662) 15.653 10.310 ( -0.698 6.638 -11.675) 13.448 10.510 ( -4.129 6.503 -3.259) 8.364 11.331 ( -6.194 -15.916 -3.279) 17.391 11.409 ( -17.477 -4.735 1.083) 18.139 11.492 ( 4.807 -1.667 -0.490) 5.111 12.550 ( 2.703 -17.514 0.766) 17.738 12.666 ( -3.430 5.060 2.290) 6.528 13.294 ( -3.491 1.618 5.856) 7.007 13.578 ( 0.737 -14.211 -1.721) 14.333 13.912 ( -10.531 -1.877 3.962) 11.408 14.537 ( 0.855 0.744 1.175) 1.633 14.714 ( 6.445 8.419 -4.654) 11.579 14.821 ( 4.787 11.122 -3.754) 12.677 14.887 ( 2.042 -14.812 2.522) 15.164 15.496 ( 0.981 -7.241 -10.797) 13.037 16.286 ( -2.945 11.648 -5.512) 13.219 16.567 ( -3.430 8.702 2.015) 9.568 17.317 ( -2.888 -10.555 -6.148) 12.552 17.619 ( -1.755 -11.392 -4.384) 12.332 18.159 ( 0.710 4.764 15.387) 16.123 18.422 ( 1.654 8.214 2.918) 8.873 ======================= Grid point 94 (76/148) ======================= q-point: ( 0.27 -0.10 -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 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -16.384 -14.064 -0.388) 21.596 2.493 ( -22.383 -8.367 -4.761) 24.365 3.039 ( -4.819 3.044 -7.967) 9.796 3.211 ( -6.149 -4.595 -9.902) 12.529 3.510 ( 1.063 -5.094 -4.882) 7.135 3.763 ( 4.536 1.858 -0.093) 4.902 3.905 ( 2.134 -3.601 7.740) 8.799 4.126 ( -5.436 -0.136 3.985) 6.742 4.379 ( 1.538 -2.305 2.317) 3.612 4.640 ( -1.185 -3.017 11.410) 11.861 4.814 ( -18.485 -2.258 -0.680) 18.635 5.155 ( -3.723 0.689 -0.069) 3.787 5.284 ( -9.826 -7.622 10.109) 16.026 6.243 ( -6.269 4.792 -5.027) 9.356 6.956 ( 18.492 3.334 -10.806) 21.676 7.154 ( 15.733 0.163 1.583) 15.813 7.475 ( 1.417 3.421 4.980) 6.206 8.457 ( -2.658 -0.732 -1.766) 3.274 8.732 ( 7.397 13.355 -0.815) 15.289 9.374 ( -12.085 14.946 4.171) 19.668 9.672 ( 27.356 -6.099 1.834) 28.087 10.272 ( -23.976 -10.867 -11.848) 28.867 10.391 ( -4.685 2.074 -5.182) 7.287 10.729 ( -4.910 -3.543 2.397) 6.512 11.169 ( -8.666 0.757 3.332) 9.316 11.418 ( -2.051 -9.624 -1.714) 9.988 12.227 ( -2.617 -11.451 1.424) 11.832 12.719 ( -5.854 3.647 3.126) 7.572 13.276 ( 0.562 -4.844 0.441) 4.896 13.318 ( 2.425 -8.414 1.485) 8.881 13.670 ( -11.616 1.246 7.049) 13.644 14.528 ( -4.924 0.640 1.725) 5.256 14.569 ( -5.141 -9.031 4.943) 11.508 14.965 ( 2.424 6.533 -7.693) 10.379 15.089 ( 4.443 2.561 -7.097) 8.756 15.383 ( 4.608 -5.763 -1.176) 7.472 16.286 ( -18.649 7.102 -3.972) 20.347 16.597 ( -4.607 3.469 6.398) 8.614 17.115 ( 6.211 -7.777 -2.765) 10.330 17.511 ( 4.253 -4.043 -16.834) 17.828 18.278 ( 2.758 3.333 13.903) 14.561 18.612 ( 2.420 5.329 5.400) 7.963 ======================= Grid point 95 (77/148) ======================= q-point: (-0.23 -0.10 0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 1.150 16.133 -2.895) 16.431 2.937 ( 0.847 4.723 -1.772) 5.115 3.119 ( 8.287 -1.949 -8.254) 11.858 3.283 ( 6.034 -1.014 -1.179) 6.231 3.541 ( -5.684 -2.983 3.281) 7.209 3.670 ( 3.917 0.311 8.592) 9.448 3.967 ( -5.083 9.802 8.137) 13.716 4.213 ( 1.436 1.685 1.343) 2.589 4.432 ( -0.188 -2.586 -0.307) 2.610 4.546 ( -2.489 -7.416 4.102) 8.833 5.457 ( 8.502 13.986 -14.751) 22.034 5.629 ( -0.690 20.542 -2.575) 20.714 5.788 ( 8.156 6.387 -1.805) 10.515 5.906 ( 0.901 -6.604 -0.955) 6.733 6.615 ( -8.284 -2.314 5.511) 10.215 7.050 ( -7.635 -14.226 -2.898) 16.403 7.332 ( 5.710 4.704 4.102) 8.459 7.911 ( -5.820 -22.046 0.356) 22.805 8.620 ( -2.320 7.289 -3.929) 8.600 8.995 ( 9.363 -11.434 -10.291) 18.009 9.668 ( -14.681 -0.198 13.225) 19.760 9.791 ( 9.387 -6.372 14.748) 18.607 10.690 ( -9.722 11.059 -8.217) 16.862 11.095 ( 12.921 -7.842 -8.850) 17.515 11.303 ( 14.711 13.511 5.494) 20.716 11.646 ( -10.409 -1.451 4.374) 11.383 12.788 ( 0.703 10.312 -5.491) 11.704 13.022 ( -4.129 14.793 0.349) 15.362 13.329 ( 2.330 -0.246 -10.031) 10.301 13.772 ( -3.345 -0.593 -1.755) 3.824 13.973 ( 5.107 11.310 -2.625) 12.684 14.260 ( 4.979 -3.942 6.210) 8.883 14.541 ( 4.919 -6.613 2.556) 8.629 14.699 ( -9.469 -9.631 5.288) 14.504 15.328 ( -4.319 13.215 -3.219) 14.270 15.607 ( -2.847 13.682 6.437) 15.386 15.767 ( 9.793 -10.869 7.561) 16.469 16.241 ( 2.086 -14.098 1.115) 14.295 17.580 ( -1.914 14.868 -3.432) 15.378 17.781 ( 1.251 9.807 -0.668) 9.909 18.210 ( 0.383 -7.521 -4.331) 8.687 18.314 ( -2.260 -12.459 -2.521) 12.911 ======================= Grid point 96 (78/148) ======================= q-point: (-0.23 -0.10 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( -9.038 3.652 -6.942) 11.967 2.986 ( -6.703 1.860 -4.286) 8.171 2.995 ( -8.590 -16.000 -2.807) 18.376 3.122 ( 0.569 -4.804 -3.774) 6.136 3.302 ( -14.757 2.310 10.179) 18.075 3.776 ( 6.223 -1.359 7.705) 9.997 4.095 ( -2.041 4.599 1.837) 5.356 4.295 ( -2.251 -2.257 2.411) 3.997 4.401 ( 9.817 2.315 3.739) 10.756 4.591 ( 9.691 0.755 2.896) 10.143 5.463 ( -11.802 -7.789 -5.529) 15.183 5.674 ( -6.584 -0.061 -4.410) 7.925 5.909 ( 6.481 -5.787 -9.299) 12.726 6.154 ( 12.530 -7.694 -4.825) 15.475 6.601 ( -6.353 6.726 4.560) 10.315 6.805 ( 3.026 12.544 3.856) 13.467 7.240 ( -11.760 -4.391 2.635) 12.827 7.860 ( 14.844 5.842 0.204) 15.954 8.621 ( -11.263 4.966 -7.826) 14.586 8.880 ( 3.190 -12.323 -3.781) 13.279 9.402 ( -15.081 6.496 10.164) 19.312 9.850 ( 3.890 -1.201 13.595) 14.191 10.605 ( -12.307 7.010 -10.600) 17.691 10.960 ( -13.414 -11.186 6.838) 18.757 11.442 ( 10.814 -8.227 -10.027) 16.887 11.883 ( 15.943 4.319 7.138) 17.994 12.824 ( -9.426 1.489 -4.054) 10.368 13.173 ( 7.270 1.759 -5.228) 9.126 13.430 ( -5.491 -0.587 -8.799) 10.388 13.666 ( 3.273 0.582 0.295) 3.337 14.102 ( -4.367 -5.995 5.314) 9.124 14.246 ( -4.286 0.085 3.277) 5.396 14.363 ( 0.561 -5.608 -0.959) 5.717 14.700 ( 7.465 8.135 3.318) 11.529 15.331 ( -12.539 7.602 5.360) 15.612 15.646 ( -13.152 -2.296 0.307) 13.354 15.673 ( 1.940 -8.532 4.742) 9.952 16.124 ( 6.780 -1.619 5.213) 8.704 17.798 ( -0.311 5.379 -5.586) 7.761 17.932 ( 5.517 -8.078 -5.892) 11.419 18.137 ( 1.774 -0.934 -0.079) 2.006 18.174 ( 3.045 5.897 -0.704) 6.674 ======================= Grid point 97 (79/148) ======================= q-point: ( 0.27 -0.10 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -21.530 -0.000 8.304) 23.076 1.912 ( -26.882 -0.000 -5.160) 27.373 2.963 ( -10.300 -0.000 -0.408) 10.308 2.973 ( -5.960 0.000 -13.131) 14.421 3.472 ( -2.834 -0.000 4.957) 5.710 3.584 ( -39.318 -0.000 15.823) 42.383 3.912 ( 7.563 -0.000 6.081) 9.704 3.968 ( 9.021 0.000 -7.440) 11.694 4.314 ( -1.035 -0.000 6.676) 6.755 4.566 ( 1.068 0.000 -2.640) 2.848 4.692 ( -2.848 -0.000 0.111) 2.850 5.076 ( -2.679 -0.000 6.051) 6.617 5.114 ( -3.105 -0.000 9.861) 10.338 6.079 ( -12.764 -0.000 -3.338) 13.193 7.341 ( 14.390 0.000 -11.489) 18.414 7.514 ( 16.387 0.000 -3.076) 16.673 7.617 ( 7.688 -0.000 4.844) 9.087 8.362 ( -4.500 -0.000 -1.413) 4.717 9.007 ( 5.701 0.000 -2.754) 6.332 9.283 ( -40.499 -0.000 -4.364) 40.734 9.412 ( -8.334 -0.000 5.746) 10.123 10.103 ( 18.359 0.000 3.362) 18.664 10.323 ( -5.404 0.000 -5.742) 7.885 10.666 ( -4.112 0.000 -4.964) 6.446 11.101 ( -0.705 -0.000 2.262) 2.369 11.248 ( -1.066 -0.000 2.495) 2.713 12.027 ( -4.847 -0.000 0.657) 4.891 12.468 ( -13.669 -0.000 14.159) 19.680 13.263 ( 5.429 0.000 -1.954) 5.770 13.293 ( -2.399 -0.000 -0.179) 2.406 13.451 ( -10.234 -0.000 9.251) 13.796 14.345 ( -5.224 -0.000 7.014) 8.746 14.401 ( -8.539 -0.000 2.756) 8.972 15.028 ( -2.891 0.000 -8.434) 8.916 15.112 ( -2.561 0.000 -7.574) 7.995 15.473 ( 5.090 -0.000 7.648) 9.187 15.932 ( -15.230 -0.000 -8.080) 17.241 16.566 ( -2.482 -0.000 3.610) 4.381 17.212 ( 7.953 0.000 -0.879) 8.002 17.561 ( 3.323 0.000 -17.273) 17.590 18.396 ( 4.948 -0.000 12.039) 13.016 18.707 ( 1.415 -0.000 6.451) 6.604 ======================= Grid point 99 (80/148) ======================= q-point: (-0.23 -0.10 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -12.722 -23.282 -3.412) 26.750 2.521 ( -18.015 -7.135 -13.102) 23.390 2.720 ( -16.763 -0.237 -0.276) 16.767 3.011 ( -0.623 -4.715 1.247) 4.917 3.240 ( -8.848 12.484 -0.828) 15.324 3.824 ( 3.462 -2.781 5.661) 7.194 4.110 ( 3.609 -3.009 3.057) 5.606 4.240 ( -1.114 -6.963 -3.806) 8.013 4.590 ( 5.932 -1.657 1.483) 6.335 4.769 ( 6.426 -1.691 1.335) 6.777 4.991 ( -8.922 -15.091 -15.066) 23.115 5.394 ( -6.785 -8.616 -6.493) 12.745 5.645 ( 0.839 -21.694 -1.977) 21.800 6.060 ( 0.736 -7.542 -10.763) 13.163 6.917 ( 3.980 16.435 8.605) 18.974 7.077 ( -2.413 9.376 7.406) 12.190 7.330 ( 5.317 19.208 4.080) 20.344 8.189 ( -14.432 6.094 2.858) 15.924 8.425 ( -0.057 7.451 0.469) 7.466 8.694 ( 1.107 -10.548 -2.977) 11.016 9.313 ( -7.359 6.830 0.351) 10.046 9.866 ( -6.174 2.229 7.338) 9.845 10.409 ( -13.741 -3.187 3.282) 14.483 10.560 ( -4.242 1.965 -9.922) 10.968 11.512 ( 12.309 -11.980 -12.605) 21.305 11.995 ( 2.574 -14.718 0.051) 14.941 12.643 ( -2.696 -5.146 3.893) 6.993 13.117 ( -1.164 -13.113 0.593) 13.178 13.341 ( 1.682 -0.600 -7.786) 7.988 13.763 ( -3.683 -6.935 2.314) 8.186 13.820 ( -2.530 7.769 -9.946) 12.872 14.248 ( 4.918 -9.911 -4.588) 11.978 14.393 ( -1.090 12.052 7.279) 14.122 14.846 ( -7.969 0.803 6.880) 10.558 15.212 ( -4.554 -1.532 5.414) 7.239 15.236 ( -11.943 -5.176 0.082) 13.017 15.559 ( -0.450 -1.956 -2.054) 2.872 16.251 ( 1.313 3.568 4.962) 6.251 17.743 ( 3.590 -9.566 -0.981) 10.265 17.906 ( 7.176 -7.716 -5.757) 12.008 18.274 ( 2.589 8.337 -2.191) 9.000 18.433 ( 2.718 9.656 -0.632) 10.051 ======================= Grid point 102 (81/148) ======================= q-point: ( 0.13 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 0.000 26.707 0.000) 26.707 1.430 ( 0.000 34.694 0.000) 34.694 2.260 ( 0.000 0.674 0.000) 0.674 2.627 ( 0.000 58.676 0.000) 58.676 2.919 ( 0.000 2.139 0.000) 2.139 3.137 ( 0.000 6.876 0.000) 6.876 4.294 ( -0.000 -6.498 -0.000) 6.498 4.409 ( -0.000 -11.662 -0.000) 11.662 4.526 ( 0.000 2.055 0.000) 2.055 4.583 ( 0.000 3.464 0.000) 3.464 4.635 ( 0.000 1.877 0.000) 1.877 5.093 ( 0.000 23.450 0.000) 23.450 5.151 ( 0.000 7.280 0.000) 7.280 5.642 ( 0.000 12.605 0.000) 12.605 7.066 ( -0.000 -9.766 -0.000) 9.766 7.718 ( -0.000 -19.012 -0.000) 19.012 7.731 ( 0.000 3.701 0.000) 3.701 7.907 ( -0.000 -10.576 -0.000) 10.576 8.352 ( 0.000 11.232 0.000) 11.232 8.914 ( -0.000 -12.227 -0.000) 12.227 9.198 ( -0.000 -8.397 -0.000) 8.397 9.402 ( 0.000 13.080 0.000) 13.080 10.230 ( -0.000 -6.599 -0.000) 6.599 10.350 ( 0.000 2.832 0.000) 2.832 11.349 ( 0.000 23.703 0.000) 23.703 11.414 ( 0.000 5.897 0.000) 5.897 12.401 ( 0.000 25.651 0.000) 25.651 12.915 ( 0.000 3.718 0.000) 3.718 13.217 ( 0.000 8.556 0.000) 8.556 13.346 ( 0.000 3.329 0.000) 3.329 13.843 ( -0.000 -9.793 -0.000) 9.793 14.412 ( 0.000 14.935 0.000) 14.935 14.546 ( -0.000 -5.563 -0.000) 5.563 14.547 ( -0.000 -3.040 -0.000) 3.040 14.745 ( -0.000 -10.202 -0.000) 10.202 15.452 ( -0.000 -6.017 -0.000) 6.017 16.124 ( 0.000 3.184 0.000) 3.184 16.190 ( 0.000 5.632 0.000) 5.632 17.648 ( 0.000 7.361 0.000) 7.361 17.807 ( -0.000 -1.246 -0.000) 1.246 18.334 ( -0.000 -2.874 -0.000) 2.874 18.594 ( -0.000 -4.375 -0.000) 4.375 ======================= Grid point 103 (82/148) ======================= q-point: (-0.37 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -0.000 -7.432 -17.797) 19.286 2.178 ( -0.000 -9.442 -25.795) 27.469 2.342 ( -0.000 2.580 -5.190) 5.795 3.136 ( -0.000 8.913 -5.618) 10.536 3.295 ( -0.000 11.304 -5.878) 12.740 3.907 ( -0.000 2.215 -1.993) 2.979 3.969 ( -0.000 -28.560 -22.121) 36.125 4.363 ( 0.000 9.084 1.717) 9.245 4.557 ( 0.000 -12.535 5.451) 13.669 4.751 ( -0.000 -10.327 -7.788) 12.934 4.952 ( -0.000 -2.860 -8.671) 9.131 5.083 ( -0.000 -7.573 -4.904) 9.022 5.357 ( 0.000 -9.312 3.623) 9.992 5.995 ( -0.000 -14.810 -10.824) 18.344 6.983 ( 0.000 3.075 6.878) 7.534 7.218 ( 0.000 19.770 17.464) 26.379 7.477 ( 0.000 -3.081 4.250) 5.250 7.687 ( 0.000 15.073 7.554) 16.861 8.610 ( -0.000 -7.626 -4.893) 9.061 8.673 ( 0.000 10.791 10.940) 15.367 9.564 ( -0.000 9.280 -8.872) 12.839 9.623 ( -0.000 5.674 -15.073) 16.106 10.311 ( -0.000 6.728 -3.969) 7.811 10.795 ( -0.000 9.816 -9.924) 13.958 11.448 ( -0.000 -26.646 -2.275) 26.743 11.860 ( -0.000 -6.459 -6.905) 9.455 12.294 ( -0.000 -15.755 -1.385) 15.816 13.127 ( 0.000 4.079 2.189) 4.629 13.174 ( -0.000 -9.906 -7.702) 12.548 13.745 ( -0.000 -4.234 1.267) 4.420 14.098 ( -0.000 6.865 -10.381) 12.445 14.249 ( 0.000 0.966 4.586) 4.686 14.410 ( -0.000 -19.944 -1.801) 20.025 14.547 ( 0.000 10.740 5.229) 11.945 14.718 ( 0.000 4.493 1.280) 4.672 15.142 ( -0.000 -6.292 -13.518) 14.910 15.844 ( -0.000 5.294 -15.712) 16.580 16.219 ( 0.000 5.378 3.909) 6.649 17.604 ( 0.000 -10.212 4.363) 11.105 17.956 ( -0.000 -10.338 1.189) 10.406 18.481 ( 0.000 4.963 3.202) 5.906 18.683 ( 0.000 9.931 4.823) 11.041 ======================= Grid point 104 (83/148) ======================= q-point: (-0.37 -0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 4.708 -3.153 -25.045) 25.678 2.127 ( 9.762 -10.550 -23.761) 27.770 2.508 ( 9.927 0.221 -4.969) 11.103 3.132 ( -9.108 2.147 -11.697) 14.979 3.449 ( 5.412 -7.898 -18.137) 20.509 3.595 ( 9.827 -7.846 -19.266) 23.006 3.894 ( -2.998 -0.095 0.170) 3.004 4.374 ( -11.522 5.562 2.377) 13.013 4.415 ( 1.192 0.823 -1.135) 1.840 4.692 ( -2.104 -4.688 -3.359) 6.139 4.821 ( -1.014 -3.790 -5.438) 6.706 5.159 ( 2.828 -2.104 1.879) 3.994 5.184 ( 12.731 -3.130 -6.582) 14.670 5.761 ( 3.216 -12.753 -6.422) 14.636 7.040 ( -1.840 2.893 12.912) 13.359 7.476 ( -3.874 9.537 16.267) 19.250 7.642 ( 20.774 -1.036 3.543) 21.100 7.868 ( -3.470 6.406 7.531) 10.478 8.472 ( -1.153 -4.729 -6.662) 8.251 8.859 ( -3.526 10.259 12.703) 16.705 9.677 ( -0.174 5.724 -17.102) 18.036 9.855 ( 6.546 4.616 -8.864) 11.947 10.446 ( 0.260 5.957 -5.654) 8.217 10.867 ( -0.472 -12.241 -8.125) 14.699 11.183 ( 0.874 7.501 -6.195) 9.768 11.683 ( -4.695 -5.671 -8.183) 11.008 12.041 ( 3.327 -11.465 -2.974) 12.303 13.030 ( -1.848 -0.779 -3.839) 4.331 13.192 ( 2.210 -3.135 -2.440) 4.546 13.455 ( -5.827 -16.166 6.195) 18.267 14.037 ( -1.601 -6.181 -23.702) 24.547 14.237 ( 3.119 2.977 -5.540) 7.020 14.430 ( 11.245 0.371 7.890) 13.742 14.690 ( -2.514 6.126 4.954) 8.269 14.834 ( 3.775 -0.864 2.815) 4.788 15.043 ( 1.995 -3.045 -15.035) 15.470 15.953 ( 1.545 3.932 -17.874) 18.367 16.367 ( 3.637 5.430 1.923) 6.812 17.403 ( -2.976 -6.421 6.071) 9.324 17.690 ( -6.587 -8.486 1.804) 10.893 18.541 ( -1.151 2.494 3.721) 4.625 18.846 ( -1.002 6.966 6.658) 9.688 ======================= Grid point 105 (84/148) ======================= q-point: ( 0.13 -0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 20.011 21.548 0.000) 29.406 2.146 ( 4.350 29.623 0.000) 29.940 2.424 ( 11.216 2.983 0.000) 11.606 2.971 ( 2.117 0.443 0.000) 2.163 3.198 ( 1.153 4.255 0.000) 4.409 3.860 ( 8.664 43.566 0.000) 44.419 4.096 ( -4.474 -2.062 -0.000) 4.926 4.282 ( 2.543 -8.525 0.000) 8.896 4.538 ( -3.560 5.790 -0.000) 6.797 4.690 ( 4.173 1.431 0.000) 4.411 4.754 ( 5.265 2.133 0.000) 5.680 5.177 ( -5.552 6.005 -0.000) 8.178 5.613 ( -3.394 30.625 -0.000) 30.812 5.874 ( 0.293 6.524 0.000) 6.531 6.960 ( 6.805 -12.255 0.000) 14.018 7.289 ( -2.200 -19.306 -0.000) 19.431 7.546 ( -4.070 -20.542 -0.000) 20.941 7.889 ( 13.107 -1.381 0.000) 13.179 8.603 ( -4.198 -2.509 -0.000) 4.890 8.615 ( -2.534 3.612 -0.000) 4.412 9.168 ( 11.844 -9.457 0.000) 15.156 9.806 ( 10.721 14.741 0.000) 18.227 10.146 ( 1.131 -2.139 0.000) 2.420 10.453 ( 3.312 5.118 0.000) 6.096 11.430 ( -9.706 9.950 -0.000) 13.901 11.875 ( 3.366 18.963 0.000) 19.260 12.901 ( -4.289 24.223 -0.000) 24.600 12.974 ( 0.900 -3.282 0.000) 3.404 13.342 ( 7.711 -6.537 0.000) 10.109 13.444 ( -0.718 10.147 0.000) 10.172 13.742 ( -1.342 3.767 -0.000) 3.999 14.299 ( -7.981 3.057 -0.000) 8.546 14.494 ( 2.148 -13.405 0.000) 13.576 14.664 ( 13.564 -1.259 0.000) 13.622 14.877 ( 10.892 11.326 0.000) 15.713 15.281 ( -3.304 -7.301 -0.000) 8.014 16.187 ( -1.624 4.914 -0.000) 5.175 16.284 ( -1.946 3.934 -0.000) 4.389 17.709 ( -4.799 -1.495 -0.000) 5.026 17.768 ( -3.095 7.353 -0.000) 7.978 18.250 ( -1.841 -2.977 -0.000) 3.500 18.468 ( -1.554 -7.087 -0.000) 7.255 ======================= Grid point 106 (85/148) ======================= q-point: ( 0.13 -0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 16.430 14.000 0.000) 21.586 2.722 ( 1.759 19.709 0.000) 19.787 2.759 ( 8.581 6.711 0.000) 10.893 3.038 ( 1.545 3.080 0.000) 3.446 3.299 ( 6.208 0.342 0.000) 6.217 4.066 ( 2.083 -0.101 0.000) 2.085 4.135 ( -0.940 -6.777 -0.000) 6.842 4.292 ( -1.008 -1.127 -0.000) 1.512 4.692 ( -0.841 -5.286 -0.000) 5.352 4.772 ( -4.164 -2.003 -0.000) 4.621 5.083 ( 5.584 35.837 0.000) 36.270 5.349 ( 7.881 7.954 0.000) 11.197 5.858 ( -7.765 -0.758 -0.000) 7.802 6.065 ( -4.795 18.323 -0.000) 18.940 6.725 ( 0.439 -17.099 -0.000) 17.105 6.984 ( -4.112 -24.263 -0.000) 24.609 7.128 ( 7.869 4.015 0.000) 8.834 8.151 ( -11.954 -13.116 -0.000) 17.746 8.187 ( 17.013 -2.300 0.000) 17.168 8.836 ( -5.307 14.354 -0.000) 15.304 9.285 ( 20.191 -11.796 0.000) 23.385 10.196 ( 2.079 3.072 0.000) 3.709 10.239 ( 3.909 8.631 0.000) 9.475 10.821 ( 17.215 12.012 0.000) 20.991 11.385 ( -14.211 9.982 -0.000) 17.367 12.183 ( -4.788 10.871 -0.000) 11.878 12.721 ( 1.578 -20.303 -0.000) 20.364 13.089 ( -10.059 12.380 -0.000) 15.951 13.254 ( 2.918 -14.520 0.000) 14.811 13.743 ( -1.722 17.378 -0.000) 17.463 13.990 ( 6.560 12.817 0.000) 14.399 14.251 ( 3.687 -14.155 0.000) 14.627 14.325 ( 1.845 5.682 0.000) 5.974 14.940 ( -6.116 -10.554 -0.000) 12.198 15.036 ( 19.186 -2.118 0.000) 19.303 15.402 ( 11.211 10.451 0.000) 15.327 16.253 ( -2.877 6.465 -0.000) 7.077 16.260 ( -6.608 2.991 -0.000) 7.253 17.608 ( -2.158 -0.740 -0.000) 2.282 17.801 ( -4.555 4.135 -0.000) 6.152 18.181 ( -2.032 1.360 -0.000) 2.445 18.235 ( -3.812 -10.438 -0.000) 11.112 ======================= Grid point 107 (86/148) ======================= q-point: (-0.37 -0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 6.823 0.000 -24.704) 25.629 2.043 ( 4.163 0.000 -22.511) 22.893 2.750 ( 12.235 0.000 -2.645) 12.517 2.947 ( -8.633 0.000 -10.223) 13.380 3.510 ( -3.478 -0.000 1.781) 3.908 3.708 ( 6.517 0.000 -4.843) 8.120 3.880 ( 10.930 0.000 -17.014) 20.222 4.191 ( -9.312 -0.000 1.638) 9.455 4.584 ( 0.791 0.000 -1.259) 1.487 4.595 ( 5.120 0.000 -8.186) 9.655 4.676 ( -0.996 0.000 -2.931) 3.096 5.222 ( 6.544 0.000 -6.710) 9.373 5.543 ( -3.780 0.000 -6.303) 7.350 5.644 ( 16.808 0.000 0.665) 16.822 6.975 ( -7.550 -0.000 17.325) 18.899 7.446 ( -7.485 -0.000 13.679) 15.593 7.803 ( -6.670 -0.000 4.929) 8.294 8.266 ( 36.309 0.000 4.498) 36.587 8.387 ( -1.682 0.000 -5.565) 5.814 8.899 ( -2.862 -0.000 8.978) 9.423 9.767 ( 2.314 0.000 -16.292) 16.456 10.018 ( 4.379 0.000 -3.371) 5.526 10.578 ( -8.042 0.000 -6.005) 10.036 10.581 ( 2.799 0.000 -4.498) 5.297 11.281 ( -2.467 0.000 -6.051) 6.534 11.496 ( -7.278 0.000 -6.478) 9.744 12.008 ( 4.764 0.000 -3.396) 5.851 12.944 ( -2.266 0.000 -8.352) 8.654 13.211 ( -3.229 -0.000 4.905) 5.872 13.215 ( 4.886 0.000 -2.109) 5.322 13.995 ( 0.781 0.000 -22.869) 22.883 14.363 ( 6.412 0.000 -4.228) 7.681 14.629 ( 5.837 0.000 0.643) 5.873 14.701 ( -3.195 -0.000 6.107) 6.892 14.867 ( 4.583 -0.000 3.644) 5.855 15.108 ( 5.047 0.000 -0.267) 5.054 16.058 ( 4.277 0.000 -21.075) 21.505 16.551 ( 7.253 0.000 -0.817) 7.299 17.239 ( -5.995 -0.000 6.800) 9.065 17.402 ( -11.232 -0.000 3.150) 11.665 18.535 ( -1.827 -0.000 2.957) 3.476 18.906 ( -0.090 -0.000 4.821) 4.822 ======================= Grid point 109 (87/148) ======================= q-point: ( 0.13 -0.12 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 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( -2.866 -0.454 -0.000) 2.902 2.911 ( -4.628 2.533 -0.000) 5.276 3.047 ( 1.065 13.512 0.000) 13.554 3.155 ( -4.637 8.071 -0.000) 9.308 3.551 ( 17.430 -0.564 0.000) 17.439 3.918 ( -2.870 -7.771 -0.000) 8.285 4.167 ( 5.190 -3.604 0.000) 6.318 4.243 ( 1.964 -2.721 0.000) 3.355 4.392 ( -7.468 -12.151 -0.000) 14.262 4.661 ( -1.445 0.993 -0.000) 1.753 5.496 ( -10.250 -10.174 -0.000) 14.442 5.549 ( -5.327 -5.735 -0.000) 7.827 5.718 ( -1.601 12.727 -0.000) 12.827 5.987 ( -8.484 -0.272 -0.000) 8.489 6.632 ( 6.498 -5.599 0.000) 8.577 6.686 ( 13.357 -0.226 0.000) 13.358 7.661 ( -12.062 -8.452 -0.000) 14.729 7.664 ( 11.743 23.366 0.000) 26.151 8.426 ( 7.180 -0.034 0.000) 7.180 8.965 ( -9.226 14.075 -0.000) 16.830 9.544 ( 29.357 -14.636 0.000) 32.803 10.310 ( 0.225 4.917 0.000) 4.922 10.391 ( -1.848 7.159 -0.000) 7.393 11.223 ( -19.793 9.110 -0.000) 21.789 11.430 ( 17.256 6.617 0.000) 18.481 11.866 ( -17.029 -17.851 -0.000) 24.670 12.569 ( 4.373 -1.661 0.000) 4.677 12.942 ( 2.797 -20.855 0.000) 21.042 13.102 ( -7.089 8.957 -0.000) 11.423 13.881 ( -8.155 4.413 -0.000) 9.272 13.928 ( 2.001 -16.673 0.000) 16.792 14.543 ( 11.588 13.125 0.000) 17.508 14.547 ( 3.009 0.080 0.000) 3.011 14.622 ( -7.398 6.083 -0.000) 9.578 15.177 ( 8.618 -14.833 0.000) 17.155 15.728 ( 8.140 -2.550 0.000) 8.530 16.186 ( -9.052 8.554 -0.000) 12.455 16.340 ( -2.544 7.899 -0.000) 8.299 17.551 ( -2.176 -3.813 -0.000) 4.390 17.773 ( -3.481 2.326 -0.000) 4.186 17.957 ( -0.127 -8.941 -0.000) 8.942 18.251 ( 0.478 7.138 0.000) 7.154 ======================= Grid point 110 (88/148) ======================= q-point: ( 0.13 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -16.634 -3.599 -0.000) 17.018 2.628 ( -15.026 -11.997 -0.000) 19.227 3.099 ( -6.835 1.171 -0.000) 6.934 3.227 ( -4.863 8.920 -0.000) 10.160 3.665 ( -8.235 -6.891 -0.000) 10.738 3.863 ( 9.554 -3.463 0.000) 10.162 3.996 ( 6.183 -13.575 0.000) 14.917 4.133 ( 1.395 -7.847 0.000) 7.970 4.386 ( 6.309 4.082 0.000) 7.514 4.656 ( -4.979 -8.356 -0.000) 9.727 4.888 ( -20.872 -2.889 -0.000) 21.071 5.216 ( -5.632 -10.267 -0.000) 11.710 5.364 ( -11.954 -12.320 -0.000) 17.166 6.127 ( -5.140 10.837 -0.000) 11.994 6.971 ( 15.853 8.684 0.000) 18.076 7.073 ( 17.869 3.373 0.000) 18.185 7.398 ( -3.767 -0.293 -0.000) 3.778 8.371 ( 10.797 20.344 0.000) 23.031 8.485 ( -0.947 0.693 -0.000) 1.173 9.023 ( -12.598 14.420 -0.000) 19.148 9.868 ( 26.692 -12.581 0.000) 29.508 10.365 ( -4.703 3.817 -0.000) 6.057 10.505 ( -0.878 7.870 -0.000) 7.919 10.823 ( -29.455 -7.505 -0.000) 30.396 11.132 ( -13.881 -8.830 -0.000) 16.452 11.638 ( 3.529 -8.316 0.000) 9.033 12.500 ( -2.893 -13.797 -0.000) 14.097 12.701 ( 5.503 -6.898 0.000) 8.824 13.200 ( 0.704 6.695 0.000) 6.732 13.615 ( 1.969 -17.988 0.000) 18.096 13.630 ( -11.988 -3.782 -0.000) 12.570 14.431 ( -8.811 5.100 -0.000) 10.181 14.854 ( -1.337 -19.862 -0.000) 19.907 14.874 ( 1.058 11.047 0.000) 11.098 14.998 ( 9.814 7.690 0.000) 12.468 15.619 ( -1.909 -10.875 -0.000) 11.041 16.180 ( -12.427 8.496 -0.000) 15.053 16.437 ( -1.898 5.889 -0.000) 6.187 17.340 ( 0.830 -10.415 -0.000) 10.448 17.768 ( -3.134 4.162 -0.000) 5.210 17.968 ( 7.130 -0.490 0.000) 7.146 18.446 ( 2.835 7.390 0.000) 7.915 ======================= Grid point 111 (89/148) ======================= q-point: (-0.37 -0.12 0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -0.000 13.909 0.000) 13.909 2.810 ( -0.000 8.733 -0.000) 8.733 3.091 ( -0.000 16.033 0.000) 16.033 3.176 ( -0.000 17.262 -0.000) 17.262 3.318 ( -0.000 -2.906 0.000) 2.906 3.641 ( -0.000 -2.016 0.000) 2.016 4.050 ( -0.000 -10.772 0.000) 10.772 4.183 ( -0.000 0.309 0.000) 0.309 4.470 ( -0.000 -1.478 0.000) 1.478 4.631 ( -0.000 -5.006 0.000) 5.006 5.259 ( -0.000 13.638 0.000) 13.638 5.415 ( -0.000 12.244 -0.000) 12.244 5.626 ( -0.000 7.036 0.000) 7.036 5.993 ( -0.000 -3.788 0.000) 3.788 6.617 ( -0.000 -2.203 0.000) 2.203 7.191 ( -0.000 1.236 0.000) 1.236 7.402 ( -0.000 -12.380 -0.000) 12.380 8.354 ( -0.000 -21.222 0.000) 21.222 8.498 ( -0.000 6.967 0.000) 6.967 9.429 ( 0.000 -14.174 -0.000) 14.174 9.528 ( -0.000 -3.559 0.000) 3.559 9.788 ( -0.000 -7.324 0.000) 7.324 10.508 ( -0.000 14.137 0.000) 14.137 10.977 ( -0.000 13.056 -0.000) 13.056 11.293 ( -0.000 -2.853 0.000) 2.853 11.526 ( -0.000 8.817 0.000) 8.817 12.627 ( -0.000 20.292 -0.000) 20.292 12.711 ( -0.000 0.897 0.000) 0.897 13.406 ( -0.000 4.078 0.000) 4.078 13.595 ( -0.000 11.808 -0.000) 11.808 13.990 ( -0.000 1.186 -0.000) 1.186 14.338 ( -0.000 -10.652 0.000) 10.652 14.594 ( -0.000 -3.271 0.000) 3.271 14.779 ( 0.000 -5.112 -0.000) 5.112 15.125 ( -0.000 17.663 -0.000) 17.663 15.345 ( -0.000 1.101 0.000) 1.101 15.914 ( -0.000 -11.631 0.000) 11.631 16.492 ( -0.000 -12.132 0.000) 12.132 17.295 ( -0.000 15.572 0.000) 15.572 17.535 ( -0.000 13.545 0.000) 13.545 18.369 ( -0.000 -5.378 0.000) 5.378 18.634 ( -0.000 -12.801 0.000) 12.801 ======================= Grid point 113 (90/148) ======================= q-point: ( 0.63 -0.12 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -9.232 18.476 1.801) 20.732 2.975 ( -0.793 4.426 -0.852) 4.576 3.078 ( -13.305 3.586 1.727) 13.888 3.117 ( -11.062 -2.242 12.249) 16.656 3.420 ( -5.215 -9.478 -1.455) 10.916 3.710 ( 4.944 -2.297 2.846) 6.150 3.927 ( 5.201 9.189 -4.445) 11.456 4.262 ( 4.762 2.820 2.442) 6.050 4.405 ( 0.884 -4.567 -3.050) 5.563 4.602 ( 6.651 -3.012 -1.118) 7.387 5.478 ( -12.581 5.336 5.359) 14.679 5.629 ( -4.638 11.540 3.224) 12.848 5.702 ( 0.012 19.719 5.717) 20.531 6.107 ( 10.676 5.167 3.774) 12.447 6.613 ( 4.443 -8.048 -9.030) 12.886 7.017 ( -6.003 -10.283 -8.037) 14.366 7.259 ( -0.693 -7.841 3.581) 8.648 8.020 ( 8.740 -14.988 -4.642) 17.960 8.629 ( -4.921 7.403 -3.795) 9.665 8.966 ( -15.421 -5.172 12.540) 20.538 9.392 ( -3.475 -6.610 -8.029) 10.965 9.737 ( 4.498 -4.574 1.829) 6.671 10.607 ( -11.265 9.200 -5.945) 15.712 10.983 ( -14.633 -8.202 10.304) 19.686 11.452 ( 15.187 10.992 9.997) 21.246 11.760 ( 10.747 3.527 -6.670) 13.131 12.744 ( -7.770 9.219 -0.163) 12.058 13.064 ( 2.604 15.494 -2.933) 15.983 13.471 ( 2.120 1.531 6.084) 6.622 13.717 ( -3.934 2.660 -8.776) 9.979 14.090 ( 0.491 -6.624 14.676) 16.110 14.196 ( 5.071 4.218 -3.356) 7.401 14.378 ( -7.019 -5.205 1.929) 8.949 14.732 ( 3.704 -4.886 -5.895) 8.506 15.251 ( -10.776 1.074 -7.001) 12.895 15.437 ( -6.642 15.876 1.304) 17.259 15.725 ( 1.810 -7.520 9.565) 12.301 16.215 ( -1.333 -10.668 0.946) 10.792 17.655 ( 3.086 13.924 -2.139) 14.422 17.838 ( 4.913 11.495 1.302) 12.569 18.255 ( 1.205 -7.488 0.257) 7.589 18.373 ( 1.855 -13.362 -2.106) 13.654 ======================= Grid point 114 (91/148) ======================= q-point: ( 0.13 -0.12 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -20.389 -23.677 -0.000) 31.246 2.041 ( -26.251 -5.573 -0.000) 26.836 2.946 ( -11.026 0.660 -0.000) 11.046 3.211 ( -8.323 3.279 -0.000) 8.946 3.344 ( -8.608 -5.671 -0.000) 10.308 3.514 ( -39.636 -10.507 -0.000) 41.006 3.852 ( 8.042 -1.559 0.000) 8.192 4.135 ( 15.186 -7.623 0.000) 16.992 4.347 ( 0.802 -7.456 0.000) 7.499 4.601 ( 3.765 3.158 0.000) 4.914 4.690 ( -2.126 -0.827 -0.000) 2.281 4.976 ( -5.717 -4.791 -0.000) 7.458 5.025 ( -7.926 1.909 -0.000) 8.153 6.087 ( -11.289 2.583 -0.000) 11.581 7.445 ( 6.409 6.597 0.000) 9.198 7.492 ( 16.198 1.995 0.000) 16.321 7.496 ( 13.935 4.483 0.000) 14.638 8.393 ( -4.672 -1.688 -0.000) 4.968 8.908 ( 7.299 12.093 0.000) 14.125 8.990 ( -21.474 15.249 -0.000) 26.338 9.767 ( -27.784 -20.688 -0.000) 34.640 10.132 ( 16.209 -5.364 0.000) 17.073 10.373 ( -5.179 0.056 -0.000) 5.179 10.662 ( 2.023 5.116 0.000) 5.501 10.928 ( -11.748 11.573 -0.000) 16.491 11.376 ( -2.627 -13.058 -0.000) 13.320 12.141 ( -3.899 -12.240 -0.000) 12.846 12.541 ( -3.478 -17.140 -0.000) 17.489 13.273 ( -4.573 1.333 -0.000) 4.763 13.373 ( -7.397 -0.572 -0.000) 7.419 13.375 ( 4.762 -10.159 0.000) 11.220 14.334 ( -9.981 4.222 -0.000) 10.838 14.415 ( -4.965 -13.897 -0.000) 14.757 15.032 ( -3.536 6.881 -0.000) 7.736 15.302 ( 7.844 3.595 0.000) 8.629 15.307 ( -11.678 -5.334 -0.000) 12.838 16.020 ( -7.173 0.391 -0.000) 7.183 16.494 ( -1.327 3.397 -0.000) 3.647 17.276 ( 6.917 -5.331 0.000) 8.733 17.801 ( -2.729 4.625 -0.000) 5.370 18.134 ( 7.442 0.773 0.000) 7.482 18.614 ( 1.873 3.853 0.000) 4.284 ======================= Grid point 115 (92/148) ======================= q-point: ( 0.13 -0.12 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -25.288 -0.000 -0.000) 25.288 1.351 ( -31.463 -0.000 -0.000) 31.463 2.367 ( -50.720 -0.000 -0.000) 50.720 2.702 ( -17.548 -0.000 -0.000) 17.548 3.052 ( -8.433 -0.000 -0.000) 8.433 3.135 ( -5.946 -0.000 -0.000) 5.946 4.145 ( 16.188 0.000 0.000) 16.188 4.288 ( 1.878 0.000 0.000) 1.878 4.298 ( 11.643 0.000 0.000) 11.643 4.606 ( -2.402 -0.000 -0.000) 2.402 4.700 ( 1.249 0.000 0.000) 1.249 4.889 ( -7.620 -0.000 -0.000) 7.620 4.948 ( 1.286 0.000 0.000) 1.286 5.801 ( -16.445 -0.000 -0.000) 16.445 7.639 ( 6.017 0.000 0.000) 6.017 7.805 ( 11.771 0.000 0.000) 11.771 7.856 ( 11.502 0.000 0.000) 11.502 8.260 ( -5.326 -0.000 -0.000) 5.326 8.471 ( -38.388 -0.000 -0.000) 38.388 9.148 ( 4.193 0.000 0.000) 4.193 9.202 ( -6.254 -0.000 -0.000) 6.254 10.265 ( -4.926 -0.000 -0.000) 4.926 10.340 ( 8.006 0.000 0.000) 8.006 10.714 ( -0.464 -0.000 -0.000) 0.464 11.081 ( 0.768 0.000 0.000) 0.768 11.221 ( 1.630 0.000 0.000) 1.630 11.919 ( -4.740 -0.000 -0.000) 4.740 11.931 ( -16.090 -0.000 -0.000) 16.090 13.160 ( -7.996 -0.000 -0.000) 7.996 13.164 ( -9.831 -0.000 -0.000) 9.831 13.392 ( 4.536 0.000 0.000) 4.536 14.165 ( -4.716 -0.000 -0.000) 4.716 14.199 ( -6.727 -0.000 -0.000) 6.727 14.957 ( -15.114 -0.000 -0.000) 15.114 15.025 ( -3.460 -0.000 -0.000) 3.460 15.474 ( 5.382 0.000 0.000) 5.382 15.984 ( 2.266 0.000 0.000) 2.266 16.519 ( -0.260 -0.000 -0.000) 0.260 17.359 ( 5.523 0.000 0.000) 5.523 17.804 ( -2.367 -0.000 -0.000) 2.367 18.280 ( 5.448 0.000 0.000) 5.448 18.675 ( 0.559 0.000 0.000) 0.559 ======================= Grid point 116 (93/148) ======================= q-point: (-0.37 -0.12 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -18.286 -0.000 -0.000) 18.286 2.722 ( -16.747 0.000 -0.000) 16.747 2.814 ( -6.897 -0.000 -0.000) 6.897 2.924 ( -8.746 0.000 0.000) 8.746 3.056 ( -7.154 0.000 0.000) 7.154 3.796 ( 2.695 0.000 0.000) 2.695 4.123 ( 2.765 -0.000 0.000) 2.765 4.292 ( 2.303 0.000 0.000) 2.303 4.604 ( 11.973 0.000 0.000) 11.973 4.751 ( 9.176 -0.000 0.000) 9.176 5.304 ( -6.982 0.000 0.000) 6.982 5.632 ( -3.317 -0.000 -0.000) 3.317 6.139 ( 1.222 -0.000 -0.000) 1.222 6.316 ( -5.283 0.000 0.000) 5.283 6.525 ( 7.492 0.000 0.000) 7.492 6.726 ( -1.434 0.000 0.000) 1.434 7.056 ( -3.702 0.000 0.000) 3.702 8.071 ( -1.934 0.000 0.000) 1.934 8.367 ( -11.758 0.000 0.000) 11.758 8.854 ( -0.382 0.000 0.000) 0.382 9.255 ( -0.769 0.000 0.000) 0.769 9.733 ( -1.709 0.000 0.000) 1.709 10.406 ( -16.553 0.000 0.000) 16.553 10.645 ( -4.060 0.000 0.000) 4.060 11.834 ( 9.567 0.000 0.000) 9.567 12.109 ( 15.777 -0.000 -0.000) 15.777 12.630 ( -11.157 0.000 0.000) 11.157 13.244 ( -3.702 0.000 0.000) 3.702 13.594 ( 0.512 0.000 0.000) 0.512 13.615 ( 0.990 -0.000 -0.000) 0.990 13.973 ( -0.689 0.000 0.000) 0.689 14.095 ( -5.052 0.000 0.000) 5.052 14.448 ( 0.615 0.000 0.000) 0.615 14.731 ( -0.268 0.000 0.000) 0.268 15.029 ( -8.646 0.000 0.000) 8.646 15.368 ( -10.133 0.000 0.000) 10.133 15.703 ( 1.196 -0.000 0.000) 1.196 16.112 ( 0.330 0.000 0.000) 0.330 17.883 ( 2.611 0.000 0.000) 2.611 18.129 ( 6.051 -0.000 0.000) 6.051 18.192 ( 3.813 0.000 0.000) 3.813 18.242 ( 2.577 0.000 0.000) 2.577 ======================= Grid point 121 (94/148) ======================= q-point: (-0.52 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -0.000 0.946 -2.869) 3.021 2.488 ( -0.000 1.829 -12.002) 12.141 2.783 ( -0.000 -5.242 -21.080) 21.722 2.943 ( 0.000 12.548 -0.144) 12.549 3.067 ( 0.000 20.005 -4.371) 20.477 3.943 ( -0.000 2.737 -7.091) 7.601 4.218 ( 0.000 4.136 -0.006) 4.136 4.339 ( -0.000 -2.537 0.355) 2.561 4.701 ( 0.000 -11.881 6.826) 13.702 4.942 ( 0.000 1.396 9.097) 9.204 5.201 ( -0.000 -0.618 -1.569) 1.686 5.633 ( -0.000 -5.816 -13.486) 14.686 5.644 ( -0.000 -33.227 -16.847) 37.254 6.350 ( 0.000 25.407 16.313) 30.193 6.528 ( -0.000 -17.508 -3.449) 17.845 6.807 ( 0.000 -1.746 9.680) 9.836 7.168 ( 0.000 24.221 4.274) 24.595 7.505 ( -0.000 -4.176 -0.159) 4.179 8.386 ( 0.000 -1.766 7.790) 7.988 8.806 ( -0.000 -5.766 -1.332) 5.918 9.411 ( 0.000 14.147 0.806) 14.170 9.750 ( -0.000 9.597 -14.411) 17.314 10.324 ( -0.000 5.132 -10.023) 11.260 10.678 ( 0.000 10.259 1.137) 10.322 11.951 ( 0.000 -0.237 4.576) 4.582 12.076 ( -0.000 -26.977 -3.668) 27.225 12.645 ( -0.000 -10.080 -6.974) 12.258 12.866 ( 0.000 9.490 8.891) 13.004 13.584 ( -0.000 -13.172 -8.093) 15.460 13.707 ( 0.000 2.425 1.595) 2.903 14.116 ( 0.000 12.118 3.051) 12.496 14.173 ( -0.000 6.742 -6.861) 9.619 14.248 ( 0.000 0.354 5.215) 5.227 14.594 ( 0.000 3.306 2.693) 4.264 14.807 ( -0.000 -11.451 -5.507) 12.706 15.323 ( -0.000 4.350 -4.337) 6.142 15.904 ( -0.000 9.477 -5.494) 10.954 16.270 ( -0.000 1.398 -16.112) 16.173 17.728 ( 0.000 -12.038 6.755) 13.804 18.145 ( -0.000 -10.249 0.857) 10.285 18.317 ( 0.000 5.172 2.392) 5.699 18.364 ( 0.000 7.653 9.664) 12.328 ======================= Grid point 122 (95/148) ======================= q-point: (-0.52 -0.15 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 12.049 -3.106 -12.486) 17.627 2.500 ( 2.701 0.439 -10.517) 10.867 2.814 ( 10.833 -4.517 -19.724) 22.952 3.185 ( -4.101 11.558 -7.180) 14.211 3.468 ( 3.652 11.511 -3.280) 12.514 3.921 ( -3.413 -4.725 -2.709) 6.427 4.155 ( -8.780 1.721 -2.180) 9.209 4.309 ( -0.603 -2.989 0.558) 3.100 4.465 ( -2.577 -5.163 -0.834) 5.830 4.844 ( -5.427 -2.340 4.115) 7.202 5.143 ( 2.000 -14.567 -2.654) 14.941 5.199 ( 9.673 -9.575 -19.308) 23.623 5.518 ( 3.076 -7.951 -9.493) 12.759 6.169 ( 1.716 -15.773 -5.096) 16.665 6.745 ( -4.150 0.884 13.981) 14.610 6.839 ( -0.791 18.335 19.280) 26.618 7.559 ( 0.970 11.290 1.861) 11.483 7.651 ( 18.528 -1.009 1.842) 18.647 8.391 ( -2.898 7.643 13.936) 16.157 8.692 ( 0.251 -5.913 -4.308) 7.321 9.666 ( -2.488 13.512 -2.341) 13.937 9.977 ( 2.319 8.733 -16.394) 18.719 10.458 ( 1.073 6.182 -8.766) 10.780 10.980 ( 3.892 14.725 -6.314) 16.488 11.498 ( -0.748 -27.544 -2.882) 27.705 11.882 ( -3.467 -3.723 -0.374) 5.101 12.390 ( 0.780 -13.513 -5.598) 14.647 12.981 ( -4.442 4.350 5.643) 8.396 13.389 ( 4.179 -9.466 -6.641) 12.295 13.607 ( -4.645 -8.064 4.522) 10.346 14.240 ( 5.643 1.309 4.035) 7.060 14.318 ( 1.770 3.324 -5.698) 6.830 14.406 ( -0.018 6.001 5.341) 8.033 14.587 ( -1.370 0.946 -15.070) 15.161 14.755 ( 5.533 -0.587 2.475) 6.089 15.343 ( -1.377 -1.404 -9.105) 9.315 16.121 ( 2.279 10.273 -5.767) 11.999 16.339 ( 2.127 4.182 -17.325) 17.949 17.456 ( -2.393 -11.952 7.413) 14.266 17.872 ( -5.302 -11.737 1.183) 12.933 18.387 ( -0.729 3.422 6.540) 7.417 18.523 ( -0.508 8.532 9.181) 12.544 ======================= Grid point 125 (96/148) ======================= q-point: (-0.52 -0.15 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 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 1.797 -0.067 -22.736) 22.807 2.682 ( 10.508 -9.894 -12.337) 18.987 2.845 ( 7.463 -7.984 -7.838) 13.449 3.183 ( -8.974 2.476 -14.044) 16.850 3.482 ( -5.554 -1.467 2.055) 6.101 3.733 ( -4.914 -0.329 -2.333) 5.450 4.122 ( -3.406 0.754 0.535) 3.529 4.190 ( -1.889 -2.881 -1.638) 3.815 4.480 ( 1.098 9.716 2.864) 10.189 4.720 ( -1.783 -4.355 -0.159) 4.708 4.905 ( 4.957 -9.143 -9.500) 14.086 5.379 ( 1.606 -3.546 -6.138) 7.269 5.516 ( 10.115 3.515 -9.836) 14.540 5.944 ( 4.280 -11.821 -6.115) 13.980 6.647 ( -5.556 -0.319 15.585) 16.549 7.071 ( -2.530 8.263 16.408) 18.544 7.656 ( -4.014 3.442 4.292) 6.810 8.176 ( 30.435 1.059 2.668) 30.570 8.536 ( 0.208 0.930 3.822) 3.939 8.633 ( 3.019 3.300 1.330) 4.666 9.834 ( -4.281 9.912 -1.052) 10.848 10.168 ( 1.157 6.520 -16.311) 17.604 10.576 ( -1.607 5.231 -7.943) 9.646 10.947 ( -3.097 -19.158 -3.950) 19.805 11.336 ( 1.331 6.771 -6.414) 9.421 11.648 ( -10.264 -4.046 -4.329) 11.852 12.186 ( 3.851 -10.809 -2.567) 11.758 12.950 ( -5.764 5.720 1.027) 8.185 13.289 ( 0.190 -11.559 2.711) 11.874 13.324 ( 0.768 -6.979 -1.644) 7.211 14.244 ( -9.304 3.268 -0.719) 9.887 14.421 ( 9.280 -1.628 2.911) 9.861 14.580 ( 8.950 0.975 -1.377) 9.107 14.687 ( 0.093 5.072 -14.989) 15.824 14.802 ( 2.364 -2.136 4.750) 5.720 15.243 ( -2.810 -2.445 -8.120) 8.934 16.392 ( 2.956 10.543 -12.400) 16.543 16.538 ( 7.366 5.058 -13.156) 15.904 17.166 ( -4.876 -9.261 8.383) 13.410 17.476 ( -10.080 -10.716 1.309) 14.770 18.429 ( -0.716 2.244 6.129) 6.566 18.682 ( 1.501 5.910 10.384) 12.042 ======================= Grid point 126 (97/148) ======================= q-point: (-0.52 -0.15 0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -7.161 0.000 -9.626) 11.998 2.436 ( -5.328 0.000 -20.776) 21.448 2.989 ( 5.434 0.000 -3.327) 6.372 3.002 ( -8.442 0.000 -14.010) 16.357 3.373 ( -2.506 -0.000 0.071) 2.507 3.678 ( -0.250 0.000 -1.356) 1.379 4.016 ( -3.874 -0.000 2.996) 4.897 4.166 ( 0.765 -0.000 1.308) 1.515 4.654 ( -0.616 -0.000 9.017) 9.038 4.670 ( 3.549 0.000 2.042) 4.094 5.002 ( 8.669 0.000 -9.487) 12.851 5.245 ( -6.955 -0.000 5.467) 8.846 5.554 ( -10.188 -0.000 -4.047) 10.962 6.059 ( 11.527 0.000 -10.319) 15.471 6.579 ( 2.326 -0.000 4.428) 5.001 7.097 ( -0.340 -0.000 10.934) 10.940 7.620 ( -2.108 -0.000 5.119) 5.536 8.440 ( -2.628 0.000 -4.591) 5.290 8.776 ( 3.456 -0.000 3.700) 5.062 8.956 ( 36.682 0.000 4.342) 36.939 9.850 ( -5.407 -0.000 2.508) 5.961 10.260 ( -0.012 0.000 -14.046) 14.046 10.446 ( -16.712 -0.000 -6.157) 17.810 10.699 ( -0.127 0.000 -4.271) 4.273 11.290 ( -6.165 -0.000 -2.855) 6.794 11.417 ( -7.631 -0.000 -2.910) 8.167 12.131 ( 1.676 0.000 -0.908) 1.907 13.024 ( -2.505 -0.000 -1.480) 2.909 13.097 ( 0.066 -0.000 1.855) 1.856 13.255 ( 0.109 -0.000 1.262) 1.267 14.081 ( -10.125 -0.000 4.984) 11.286 14.522 ( 3.706 0.000 1.489) 3.994 14.755 ( -0.502 -0.000 9.162) 9.176 14.782 ( 0.918 0.000 -17.558) 17.582 14.793 ( 7.160 0.000 -4.500) 8.457 15.212 ( 3.629 0.000 -1.354) 3.874 16.576 ( -4.453 0.000 -21.561) 22.016 16.758 ( 8.888 0.000 -0.170) 8.890 16.947 ( -5.380 -0.000 8.279) 9.873 17.120 ( -7.007 -0.000 -2.065) 7.305 18.444 ( -0.057 -0.000 4.670) 4.670 18.789 ( 2.342 -0.000 9.730) 10.008 ======================= Grid point 136 (98/148) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -0.000 0.000 -28.778) 28.778 1.343 ( -0.000 0.000 -32.955) 32.955 2.171 ( -0.000 0.000 -53.977) 53.977 2.335 ( -0.000 0.000 -3.671) 3.671 3.083 ( -0.000 0.000 -11.019) 11.019 3.257 ( -0.000 0.000 -10.153) 10.153 4.105 ( 0.000 -0.000 12.079) 12.079 4.344 ( -0.000 0.000 -1.084) 1.084 4.664 ( -0.000 0.000 -9.349) 9.349 4.667 ( -0.000 0.000 -4.356) 4.356 4.766 ( -0.000 0.000 -0.463) 0.463 4.826 ( 0.000 -0.000 2.671) 2.671 5.073 ( 0.000 -0.000 5.293) 5.293 5.423 ( -0.000 0.000 -12.524) 12.524 7.286 ( 0.000 -0.000 7.863) 7.863 7.419 ( 0.000 -0.000 2.148) 2.148 7.915 ( 0.000 -0.000 12.623) 12.623 8.182 ( 0.000 -0.000 9.102) 9.102 8.291 ( -0.000 0.000 -7.518) 7.518 9.269 ( 0.000 -0.000 7.027) 7.027 9.440 ( -0.000 0.000 -11.275) 11.275 9.580 ( -0.000 0.000 -8.961) 8.961 10.397 ( -0.000 0.000 -4.785) 4.785 10.603 ( -0.000 0.000 -6.124) 6.124 11.212 ( -0.000 0.000 -5.507) 5.507 11.487 ( -0.000 0.000 -9.326) 9.326 11.834 ( -0.000 0.000 -1.595) 1.595 12.892 ( -0.000 0.000 -3.729) 3.729 13.180 ( -0.000 0.000 -2.031) 2.031 13.351 ( -0.000 0.000 -3.692) 3.692 13.505 ( -0.000 0.000 -14.828) 14.828 14.192 ( -0.000 0.000 -2.563) 2.563 14.392 ( 0.000 -0.000 6.576) 6.576 14.534 ( -0.000 0.000 -21.980) 21.980 14.802 ( -0.000 0.000 -1.874) 1.874 14.874 ( 0.000 -0.000 3.964) 3.964 15.737 ( -0.000 0.000 -8.454) 8.454 16.438 ( 0.000 -0.000 3.076) 3.076 17.458 ( 0.000 -0.000 2.375) 2.375 17.708 ( 0.000 -0.000 1.800) 1.800 18.639 ( 0.000 -0.000 2.413) 2.413 19.087 ( 0.000 -0.000 5.881) 5.881 ======================= Grid point 137 (99/148) ======================= q-point: ( 0.33 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 0.000 13.162 2.347) 13.370 2.428 ( 0.000 13.960 -3.404) 14.369 2.664 ( 0.000 27.074 -3.340) 27.279 2.896 ( -0.000 -3.036 -2.040) 3.657 3.167 ( -0.000 0.864 -11.977) 12.008 4.044 ( -0.000 -0.252 -6.007) 6.013 4.178 ( -0.000 0.336 -0.264) 0.427 4.335 ( 0.000 4.162 1.389) 4.387 4.705 ( 0.000 3.005 7.993) 8.539 4.733 ( 0.000 -3.019 5.394) 6.182 5.041 ( 0.000 19.999 4.008) 20.397 5.427 ( 0.000 15.225 13.271) 20.197 5.922 ( -0.000 3.501 -10.645) 11.206 6.236 ( 0.000 12.948 2.480) 13.183 6.728 ( 0.000 -8.177 7.132) 10.851 6.875 ( -0.000 -8.465 -8.263) 11.829 7.062 ( -0.000 -25.914 -2.556) 26.039 7.638 ( -0.000 -5.283 -2.658) 5.914 8.437 ( -0.000 -10.500 1.439) 10.598 8.894 ( -0.000 0.723 -0.998) 1.232 9.043 ( 0.000 11.147 6.373) 12.841 9.805 ( -0.000 12.163 -14.039) 18.575 10.360 ( 0.000 7.820 11.513) 13.918 10.426 ( -0.000 4.178 -8.244) 9.242 11.759 ( 0.000 5.604 7.332) 9.228 12.270 ( 0.000 15.121 3.619) 15.548 12.818 ( -0.000 -21.025 -0.653) 21.035 12.903 ( -0.000 -1.661 -6.785) 6.986 13.542 ( 0.000 22.236 4.083) 22.608 13.604 ( 0.000 4.791 1.963) 5.178 14.030 ( 0.000 13.196 -0.088) 13.197 14.120 ( -0.000 -14.636 -4.417) 15.288 14.283 ( -0.000 -6.271 0.703) 6.310 14.510 ( 0.000 -0.675 3.025) 3.099 14.992 ( 0.000 1.552 2.294) 2.769 15.216 ( 0.000 2.708 -0.588) 2.772 15.980 ( -0.000 7.747 -20.276) 21.706 16.458 ( -0.000 3.542 -5.190) 6.284 17.784 ( 0.000 -6.103 6.936) 9.239 18.031 ( 0.000 5.606 9.744) 11.242 18.230 ( 0.000 -0.064 0.490) 0.494 18.329 ( -0.000 -8.898 0.369) 8.906 ======================= Grid point 138 (100/148) ======================= q-point: ( 0.33 -0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 16.197 3.733 -0.306) 16.624 2.743 ( 1.844 5.022 -11.529) 12.710 2.976 ( 3.233 12.113 -1.155) 12.590 3.181 ( 2.970 19.699 -3.793) 20.280 3.199 ( 2.156 1.762 -11.122) 11.465 4.039 ( -1.301 -0.616 -3.823) 4.085 4.128 ( -7.618 -0.662 3.140) 8.266 4.306 ( -2.127 -1.803 0.460) 2.826 4.587 ( -1.597 -4.830 -0.981) 5.181 4.771 ( 0.609 -4.074 7.509) 8.565 5.251 ( 3.491 2.078 -2.716) 4.886 5.789 ( -3.167 10.909 1.815) 11.503 5.903 ( 0.468 -7.736 -7.177) 10.563 6.206 ( 5.368 -2.112 -2.793) 6.409 6.500 ( -6.578 -3.488 12.863) 14.863 6.559 ( -0.242 -20.741 1.212) 20.778 7.217 ( 5.439 22.685 -3.279) 23.557 7.712 ( 17.365 -4.790 -0.630) 18.024 8.174 ( -5.735 -8.229 7.316) 12.415 8.861 ( 3.652 -5.564 -1.545) 6.833 9.327 ( -4.667 17.752 2.730) 18.557 10.082 ( 3.102 9.950 -13.978) 17.436 10.479 ( -2.179 7.101 -2.651) 7.887 10.728 ( 10.222 14.069 -1.026) 17.421 11.792 ( -5.176 2.472 5.622) 8.032 12.165 ( 1.061 -27.351 -3.046) 27.541 12.564 ( -6.989 8.947 1.630) 11.469 12.887 ( 4.529 -10.551 0.094) 11.483 13.555 ( -8.893 3.870 2.633) 10.050 13.784 ( 2.167 -11.429 -6.752) 13.450 14.056 ( 0.314 11.375 1.911) 11.539 14.218 ( 4.236 4.185 1.831) 6.230 14.274 ( 3.724 3.756 1.981) 5.648 14.665 ( 9.122 0.009 -0.965) 9.173 14.880 ( -1.160 -4.901 -2.088) 5.452 15.411 ( 2.878 7.556 -2.783) 8.552 16.106 ( -0.519 6.649 -15.329) 16.717 16.522 ( -1.557 5.039 -6.270) 8.193 17.590 ( -1.989 -9.491 2.177) 9.939 18.077 ( -3.922 -3.773 8.222) 9.860 18.106 ( -1.262 -4.537 6.638) 8.139 18.285 ( -0.920 5.814 0.954) 5.963 ======================= Grid point 141 (101/148) ======================= q-point: (-0.67 -0.17 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 4.310 1.739 -7.050) 8.444 2.785 ( 11.619 -0.505 -11.373) 16.266 3.236 ( 0.778 4.337 -8.926) 9.954 3.328 ( 4.236 3.054 -5.696) 7.728 3.458 ( -5.869 0.781 3.092) 6.679 3.851 ( -3.969 -5.165 -3.696) 7.490 3.979 ( -6.004 4.386 2.852) 7.964 4.226 ( -0.093 -4.441 5.157) 6.806 4.364 ( -8.297 -5.877 0.331) 10.173 4.702 ( -0.781 0.463 2.523) 2.682 5.257 ( 1.939 -10.213 -3.465) 10.958 5.629 ( -9.027 -6.118 -8.954) 14.110 5.821 ( 7.795 -5.799 -14.044) 17.077 6.182 ( -5.795 -6.720 2.845) 9.319 6.417 ( 2.043 3.138 7.710) 8.571 6.550 ( 8.725 7.002 15.130) 18.817 7.602 ( -2.402 2.354 -5.750) 6.661 8.072 ( 6.578 13.213 8.269) 16.919 8.153 ( 20.390 0.574 4.947) 20.989 8.832 ( 8.066 -8.516 -3.426) 12.220 9.529 ( -8.802 16.612 2.635) 18.984 10.305 ( 0.964 8.038 -12.336) 14.756 10.580 ( -2.525 7.536 -4.395) 9.082 11.240 ( 9.724 10.982 -5.102) 15.530 11.486 ( -3.798 -23.601 -0.425) 23.908 11.744 ( -10.491 -3.559 0.570) 11.093 12.493 ( 1.463 -12.731 -2.463) 13.050 12.770 ( -5.329 4.715 4.391) 8.362 13.394 ( -5.680 -3.820 4.420) 8.148 13.565 ( 0.770 -12.234 -3.541) 12.759 14.113 ( -8.547 2.783 3.130) 9.518 14.383 ( 10.859 -3.213 4.211) 12.082 14.555 ( 7.385 8.794 -2.944) 11.855 14.776 ( 3.434 0.385 -1.796) 3.894 14.854 ( -0.562 1.006 -4.633) 4.774 15.496 ( -0.540 -2.473 -10.080) 10.393 16.282 ( 2.029 9.768 -6.750) 12.046 16.616 ( -1.536 7.500 -1.943) 7.898 17.366 ( -1.395 -9.084 -7.496) 11.860 17.719 ( -6.949 -13.336 -0.207) 15.039 18.148 ( 0.512 3.425 17.121) 17.468 18.404 ( 0.070 7.042 2.706) 7.544 ======================= Grid point 142 (102/148) ======================= q-point: ( 0.33 -0.17 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -11.905 -6.614 -9.763) 16.757 2.887 ( -14.038 -9.656 -4.376) 17.591 3.061 ( 5.292 0.286 -6.718) 8.557 3.322 ( -6.136 -0.372 -16.180) 17.308 3.451 ( 4.145 -2.629 -3.950) 6.300 3.691 ( -1.496 -2.184 -0.759) 2.754 3.954 ( -4.505 -1.800 9.116) 10.326 4.144 ( 0.610 2.371 1.813) 3.047 4.336 ( 1.496 4.333 7.254) 8.581 4.639 ( -0.759 -5.094 5.859) 7.801 5.139 ( -0.921 -2.071 -2.980) 3.744 5.257 ( -13.017 -4.769 -2.174) 14.033 5.574 ( -16.540 -5.694 7.347) 18.974 6.269 ( 6.122 3.602 -12.537) 14.410 6.601 ( 13.682 1.643 -4.343) 14.449 6.852 ( 11.305 1.486 11.172) 15.963 7.500 ( -3.440 0.498 3.942) 5.255 8.465 ( 3.144 3.829 1.246) 5.109 8.585 ( 7.499 12.282 0.171) 14.391 9.009 ( 30.342 -9.150 -0.142) 31.692 9.633 ( -10.469 13.878 3.490) 17.731 10.431 ( -1.935 5.041 -10.520) 11.825 10.632 ( -7.919 3.090 -7.696) 11.466 10.876 ( -7.797 -17.941 0.542) 19.569 11.405 ( -12.655 -3.676 -0.462) 13.186 11.455 ( -2.804 -0.348 -2.436) 3.730 12.250 ( 0.527 -11.038 0.787) 11.079 12.831 ( -4.752 10.124 0.104) 11.184 13.258 ( 1.779 -4.013 2.471) 5.037 13.308 ( -2.171 -12.239 0.763) 12.454 13.926 ( -12.681 2.452 5.036) 13.863 14.536 ( 5.027 -1.799 1.783) 5.629 14.639 ( -0.843 -7.977 5.634) 9.803 14.854 ( 7.073 5.040 -5.776) 10.431 15.016 ( 1.367 8.588 -7.352) 11.388 15.348 ( -1.416 -7.478 -8.910) 11.718 16.518 ( -2.575 11.399 -2.401) 11.930 16.713 ( -4.200 5.969 7.527) 10.484 17.089 ( -5.537 -12.188 -7.605) 15.396 17.425 ( 2.990 -7.209 -14.721) 16.662 18.235 ( 1.603 2.691 15.998) 16.302 18.560 ( 2.376 5.117 5.368) 7.787 ======================= Grid point 143 (103/148) ======================= q-point: (-0.17 -0.17 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 10.596 20.083 -3.531) 22.980 2.861 ( 12.824 3.996 -12.956) 18.662 2.966 ( 1.993 4.210 -1.766) 4.982 3.083 ( 11.216 1.703 0.610) 11.361 3.438 ( 9.480 -9.477 1.016) 13.443 3.740 ( -4.913 2.263 6.617) 8.547 4.047 ( -2.624 7.066 7.401) 10.564 4.243 ( -1.834 4.110 0.934) 4.597 4.453 ( -4.572 -4.308 1.557) 6.472 4.650 ( -5.504 -3.461 3.342) 7.310 5.224 ( 12.493 15.545 -18.025) 26.882 5.553 ( 8.376 13.419 -3.193) 16.138 5.641 ( 1.219 16.831 -4.509) 17.467 6.000 ( -5.015 0.973 -6.386) 8.178 6.792 ( -7.830 -10.837 8.739) 15.972 7.154 ( 2.205 -11.377 5.758) 12.940 7.225 ( -1.888 -7.487 -0.118) 7.723 8.103 ( -10.614 -17.073 3.920) 20.483 8.649 ( 0.749 9.020 -1.912) 9.251 8.748 ( 13.829 -6.097 -9.679) 17.947 9.538 ( 13.339 -6.944 9.863) 17.984 9.868 ( -4.885 -2.829 12.496) 13.712 10.680 ( 8.485 8.929 -2.506) 12.570 10.799 ( 18.567 -4.268 -5.084) 19.718 11.240 ( -11.403 11.330 -11.386) 19.699 11.870 ( -9.117 6.007 4.019) 11.634 12.722 ( 4.278 9.121 -1.924) 10.256 13.113 ( -2.684 15.711 2.640) 16.156 13.301 ( -0.410 -2.468 -9.853) 10.166 13.809 ( 0.779 0.842 -13.019) 13.070 13.895 ( 2.704 6.130 7.764) 10.255 14.187 ( 0.778 3.616 -3.222) 4.905 14.443 ( 3.708 -9.950 6.448) 12.423 14.864 ( -5.177 -6.794 7.283) 11.225 15.335 ( 4.108 16.890 -1.706) 17.466 15.506 ( 13.529 -5.653 7.443) 16.444 15.600 ( 3.041 3.128 0.965) 4.468 16.224 ( -0.726 -8.733 1.443) 8.881 17.655 ( -4.669 12.846 -1.938) 13.805 17.795 ( -2.845 7.897 -3.231) 8.995 18.226 ( -1.782 -8.030 -3.217) 8.832 18.372 ( -3.054 -11.287 -1.221) 11.756 ======================= Grid point 144 (104/148) ======================= q-point: (-0.17 -0.17 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( 3.521 -6.388 -7.289) 10.312 2.998 ( -3.521 6.388 -7.289) 10.312 3.090 ( -1.229 -9.056 -4.391) 10.139 3.090 ( 1.229 9.056 -4.391) 10.139 3.593 ( -7.443 -2.875 9.411) 12.338 3.593 ( 7.443 2.875 9.411) 12.338 4.197 ( 0.869 -5.575 5.385) 7.799 4.197 ( -0.869 5.575 5.385) 7.799 4.410 ( -6.610 -2.645 2.008) 7.397 4.410 ( 6.610 2.645 2.008) 7.397 5.702 ( -6.789 -9.861 -8.579) 14.729 5.702 ( 6.789 9.861 -8.579) 14.729 5.894 ( -10.247 2.216 -2.077) 10.688 5.894 ( 10.247 -2.216 -2.077) 10.688 6.721 ( -2.061 -14.226 2.849) 14.654 6.721 ( 2.061 14.226 2.849) 14.654 7.534 ( -10.840 -13.751 1.233) 17.553 7.534 ( 10.840 13.751 1.233) 17.553 8.786 ( 5.735 -9.394 -7.656) 13.407 8.786 ( -5.735 9.394 -7.656) 13.407 9.695 ( -11.086 3.000 14.859) 18.780 9.695 ( 11.086 -3.000 14.859) 18.780 10.908 ( 4.931 -7.728 -9.681) 13.333 10.908 ( -4.931 7.728 -9.681) 13.333 11.534 ( -15.633 -8.772 5.903) 18.872 11.534 ( 15.633 8.772 5.903) 18.872 13.008 ( -3.512 -9.340 -6.519) 11.919 13.008 ( 3.512 9.340 -6.519) 11.919 13.562 ( -1.107 -16.467 -4.065) 16.997 13.562 ( 1.107 16.467 -4.065) 16.997 14.196 ( 0.327 -7.718 4.641) 9.012 14.196 ( -0.327 7.718 4.641) 9.012 14.511 ( -9.777 -6.459 1.917) 11.874 14.511 ( 9.777 6.459 1.917) 11.874 15.554 ( 7.486 -10.291 4.798) 13.601 15.554 ( -7.486 10.291 4.798) 13.601 15.930 ( -2.841 -15.740 2.593) 16.203 15.930 ( 2.841 15.740 2.593) 16.203 17.838 ( 2.470 -7.947 -5.335) 9.885 17.838 ( -2.470 7.947 -5.335) 9.885 18.128 ( -0.886 -4.018 -0.552) 4.151 18.128 ( 0.886 4.018 -0.552) 4.151 ======================= Grid point 146 (105/148) ======================= q-point: ( 0.33 -0.17 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -20.360 -0.000 2.267) 20.486 2.436 ( -22.824 -0.000 -10.978) 25.326 3.107 ( -3.173 0.000 -3.635) 4.825 3.126 ( -8.510 0.000 -16.710) 18.752 3.454 ( 3.177 0.000 -3.027) 4.388 3.783 ( 8.002 0.000 -1.586) 8.157 3.860 ( -1.587 -0.000 9.136) 9.273 4.133 ( -9.775 -0.000 1.151) 9.843 4.354 ( -2.677 -0.000 11.515) 11.822 4.614 ( 0.210 -0.000 11.739) 11.741 4.791 ( -15.323 -0.000 -3.071) 15.627 5.172 ( -4.992 -0.000 -0.077) 4.992 5.204 ( -7.384 -0.000 9.381) 11.938 6.291 ( -6.939 0.000 -5.957) 9.145 6.989 ( 18.334 0.000 -11.628) 21.711 7.153 ( 17.322 0.000 1.707) 17.406 7.512 ( 2.601 -0.000 6.234) 6.755 8.450 ( -3.697 0.000 -2.820) 4.649 8.873 ( 6.917 0.000 -0.887) 6.973 9.585 ( 28.812 0.000 2.122) 28.890 9.602 ( -9.627 -0.000 4.339) 10.560 10.064 ( -30.541 -0.000 -4.083) 30.812 10.423 ( -4.270 0.000 -7.038) 8.232 10.738 ( -2.893 0.000 -3.730) 4.721 11.158 ( -5.572 -0.000 1.013) 5.663 11.312 ( -4.942 -0.000 0.517) 4.969 12.112 ( -2.885 -0.000 0.513) 2.931 12.774 ( -14.538 -0.000 6.753) 16.030 13.153 ( 4.815 0.000 -1.080) 4.935 13.285 ( 2.507 0.000 -0.045) 2.508 13.689 ( -12.381 -0.000 7.445) 14.447 14.436 ( -3.642 -0.000 5.582) 6.665 14.572 ( -6.112 -0.000 2.626) 6.652 15.054 ( 6.232 0.000 -7.118) 9.460 15.092 ( -3.084 0.000 -12.903) 13.266 15.324 ( 8.033 0.000 3.834) 8.901 16.369 ( -24.100 -0.000 -2.815) 24.264 16.624 ( -2.963 -0.000 7.329) 7.906 17.031 ( 9.189 0.000 -1.153) 9.261 17.470 ( 5.378 0.000 -22.042) 22.688 18.312 ( 3.071 -0.000 13.869) 14.205 18.667 ( 2.379 -0.000 6.478) 6.901 ======================= Grid point 153 (106/148) ======================= q-point: (-0.31 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -0.000 -4.073 -22.253) 22.623 2.020 ( -0.000 -6.524 -29.549) 30.261 2.393 ( -0.000 2.125 -4.972) 5.407 3.277 ( -0.000 4.938 -11.620) 12.626 3.377 ( -0.000 -16.544 -28.401) 32.868 3.449 ( -0.000 -4.878 -19.722) 20.316 3.934 ( 0.000 0.898 2.573) 2.725 4.400 ( -0.000 -3.215 0.514) 3.256 4.573 ( 0.000 11.344 3.772) 11.954 4.669 ( -0.000 0.952 -1.918) 2.141 4.901 ( -0.000 -1.834 -10.455) 10.615 4.943 ( -0.000 -6.966 -5.743) 9.028 5.142 ( 0.000 -11.732 4.367) 12.518 5.725 ( -0.000 -11.424 -7.568) 13.703 7.051 ( 0.000 3.321 10.233) 10.758 7.413 ( 0.000 -3.087 3.597) 4.740 7.521 ( 0.000 10.271 17.419) 20.222 7.910 ( 0.000 7.647 8.919) 11.749 8.486 ( -0.000 -4.449 -6.959) 8.260 8.901 ( 0.000 10.176 14.700) 17.879 9.721 ( -0.000 5.933 -10.923) 12.430 9.736 ( -0.000 4.969 -20.021) 20.628 10.441 ( -0.000 5.576 -5.455) 7.800 10.871 ( -0.000 -10.535 -8.889) 13.784 11.174 ( -0.000 8.166 -6.038) 10.155 11.732 ( -0.000 -5.573 -8.361) 10.048 12.006 ( -0.000 -11.498 -3.416) 11.995 13.031 ( -0.000 -4.590 -6.544) 7.993 13.183 ( 0.000 1.729 0.116) 1.733 13.536 ( 0.000 -16.785 8.284) 18.718 14.070 ( -0.000 -10.813 -21.787) 24.323 14.220 ( -0.000 4.447 -6.262) 7.680 14.261 ( 0.000 0.375 6.134) 6.145 14.718 ( 0.000 6.168 4.638) 7.717 14.791 ( 0.000 2.471 1.469) 2.875 15.020 ( -0.000 -4.963 -19.415) 20.040 15.937 ( -0.000 3.551 -16.795) 17.166 16.328 ( 0.000 4.915 2.898) 5.706 17.435 ( 0.000 -6.226 6.095) 8.713 17.762 ( -0.000 -8.201 1.938) 8.427 18.553 ( 0.000 2.348 4.053) 4.684 18.860 ( 0.000 7.009 8.163) 10.759 ======================= Grid point 154 (107/148) ======================= q-point: ( 0.19 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.000 25.966 0.000) 25.966 2.101 ( 0.000 32.138 0.000) 32.138 2.296 ( 0.000 3.580 0.000) 3.580 2.945 ( 0.000 0.090 0.000) 0.090 3.193 ( 0.000 6.273 0.000) 6.273 3.772 ( 0.000 45.842 0.000) 45.842 4.177 ( -0.000 -5.018 -0.000) 5.018 4.230 ( -0.000 -5.820 -0.000) 5.820 4.573 ( 0.000 2.535 0.000) 2.535 4.644 ( 0.000 5.259 0.000) 5.259 4.681 ( 0.000 2.061 0.000) 2.061 5.248 ( 0.000 2.530 0.000) 2.530 5.653 ( 0.000 30.548 0.000) 30.548 5.869 ( 0.000 10.003 0.000) 10.003 6.866 ( -0.000 -10.420 -0.000) 10.420 7.314 ( -0.000 -20.611 -0.000) 20.611 7.589 ( -0.000 -21.363 -0.000) 21.363 7.752 ( -0.000 -1.799 -0.000) 1.799 8.622 ( 0.000 15.606 0.000) 15.606 8.668 ( -0.000 -12.235 -0.000) 12.235 9.036 ( -0.000 -7.317 -0.000) 7.317 9.693 ( 0.000 16.137 0.000) 16.137 10.134 ( -0.000 -2.488 -0.000) 2.488 10.422 ( 0.000 4.209 0.000) 4.209 11.545 ( 0.000 6.964 0.000) 6.964 11.825 ( 0.000 22.871 0.000) 22.871 12.951 ( 0.000 28.295 0.000) 28.295 12.980 ( 0.000 2.201 0.000) 2.201 13.229 ( -0.000 -12.012 -0.000) 12.012 13.445 ( 0.000 6.394 0.000) 6.394 13.777 ( 0.000 7.250 0.000) 7.250 14.419 ( -0.000 -6.986 -0.000) 6.986 14.460 ( -0.000 -9.296 -0.000) 9.296 14.524 ( -0.000 -7.662 -0.000) 7.662 14.725 ( 0.000 15.480 0.000) 15.480 15.316 ( -0.000 -7.213 -0.000) 7.213 16.204 ( 0.000 4.770 0.000) 4.770 16.307 ( 0.000 5.813 0.000) 5.813 17.771 ( -0.000 -2.409 -0.000) 2.409 17.801 ( 0.000 7.424 0.000) 7.424 18.269 ( -0.000 -3.349 -0.000) 3.349 18.484 ( -0.000 -6.704 -0.000) 6.704 ======================= Grid point 155 (108/148) ======================= q-point: ( 0.19 -0.19 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 16.389 14.399 0.000) 21.815 2.560 ( 8.425 12.872 0.000) 15.384 2.702 ( 0.196 24.823 0.000) 24.824 2.971 ( 4.083 0.425 0.000) 4.105 3.273 ( -1.585 3.429 -0.000) 3.778 4.078 ( -1.996 -0.277 -0.000) 2.015 4.150 ( -1.256 -4.368 -0.000) 4.545 4.311 ( -0.715 4.192 -0.000) 4.253 4.662 ( 2.846 0.409 0.000) 2.875 4.756 ( 4.674 -2.759 0.000) 5.427 5.019 ( 0.998 34.314 0.000) 34.328 5.267 ( 0.546 3.353 0.000) 3.397 5.990 ( -4.632 5.059 -0.000) 6.859 6.160 ( -4.051 19.416 -0.000) 19.834 6.693 ( 3.017 -15.655 0.000) 15.943 7.002 ( 3.708 -3.856 0.000) 5.350 7.054 ( -2.381 -27.433 -0.000) 27.536 7.826 ( 14.621 -4.647 0.000) 15.341 8.350 ( -6.730 -12.830 -0.000) 14.488 8.930 ( -3.432 17.460 -0.000) 17.794 9.000 ( 8.266 -7.236 0.000) 10.985 10.124 ( 6.000 16.823 0.000) 17.861 10.157 ( 1.485 3.201 0.000) 3.528 10.575 ( 6.508 7.153 0.000) 9.670 11.607 ( -7.125 7.718 -0.000) 10.504 12.231 ( -0.424 16.062 0.000) 16.067 12.734 ( -3.614 -21.042 -0.000) 21.350 13.133 ( 8.858 -10.764 0.000) 13.940 13.312 ( -10.981 15.904 -0.000) 19.327 13.708 ( 5.032 15.857 0.000) 16.636 13.959 ( -3.217 14.070 -0.000) 14.433 14.192 ( 2.015 -15.872 0.000) 15.999 14.289 ( 1.317 -3.171 0.000) 3.433 14.664 ( 15.370 0.699 0.000) 15.386 14.994 ( 1.168 -3.293 0.000) 3.494 15.241 ( 3.181 7.067 0.000) 7.750 16.296 ( -1.322 5.803 -0.000) 5.952 16.372 ( -3.807 4.278 -0.000) 5.727 17.672 ( -3.322 -2.179 -0.000) 3.973 17.883 ( -2.948 3.260 -0.000) 4.396 18.214 ( -1.085 0.258 -0.000) 1.115 18.301 ( -2.326 -9.525 -0.000) 9.805 ======================= Grid point 156 (109/148) ======================= q-point: (-0.31 -0.19 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 7.554 0.000 -25.491) 26.586 1.970 ( 2.576 0.000 -27.633) 27.753 2.509 ( 8.943 0.000 -4.472) 9.998 3.152 ( -10.534 0.000 -12.651) 16.462 3.348 ( 16.872 0.000 -39.374) 42.836 3.518 ( 3.067 0.000 -3.656) 4.772 3.902 ( -4.122 -0.000 1.629) 4.432 4.370 ( -3.416 -0.000 1.521) 3.739 4.573 ( -7.657 0.000 -6.177) 9.838 4.640 ( -5.092 -0.000 -1.848) 5.417 4.719 ( -2.281 -0.000 0.544) 2.345 5.050 ( 9.322 0.000 -9.536) 13.335 5.273 ( 18.352 0.000 2.403) 18.509 5.590 ( -0.966 0.000 -5.804) 5.884 7.072 ( -2.213 -0.000 14.432) 14.601 7.566 ( -1.095 -0.000 13.574) 13.618 7.635 ( 19.634 0.000 5.824) 20.480 7.935 ( -5.081 -0.000 8.694) 10.070 8.423 ( -1.542 0.000 -7.163) 7.328 8.970 ( -3.471 -0.000 13.745) 14.177 9.738 ( -0.104 0.000 -19.176) 19.176 9.905 ( 6.116 0.000 -9.718) 11.483 10.527 ( 2.146 0.000 -5.704) 6.095 10.688 ( -3.120 0.000 -5.678) 6.478 11.326 ( -1.664 0.000 -7.587) 7.767 11.624 ( -4.436 0.000 -8.468) 9.560 11.920 ( 3.315 0.000 -3.809) 5.050 13.012 ( -0.761 0.000 -4.748) 4.809 13.134 ( -0.969 0.000 -4.681) 4.780 13.269 ( -2.105 -0.000 5.322) 5.723 13.981 ( 0.496 0.000 -27.698) 27.703 14.265 ( 2.806 0.000 -3.412) 4.418 14.437 ( 11.000 -0.000 6.803) 12.934 14.761 ( -2.233 -0.000 5.630) 6.057 14.810 ( 0.629 0.000 -1.198) 1.354 15.017 ( 3.925 0.000 -13.193) 13.765 15.994 ( 1.938 0.000 -18.526) 18.627 16.429 ( 4.204 0.000 1.388) 4.427 17.337 ( -3.233 -0.000 7.009) 7.718 17.597 ( -6.889 -0.000 2.028) 7.181 18.566 ( -1.024 -0.000 3.935) 4.066 18.920 ( -1.056 -0.000 8.150) 8.218 ======================= Grid point 158 (110/148) ======================= q-point: ( 0.19 -0.19 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 15.571 4.197 0.000) 16.127 2.957 ( 0.367 3.866 0.000) 3.883 3.028 ( 2.572 18.109 0.000) 18.291 3.218 ( -0.984 13.751 0.000) 13.786 3.307 ( 3.578 0.594 0.000) 3.627 3.962 ( -3.165 -6.285 -0.000) 7.037 4.086 ( 2.188 -3.451 0.000) 4.087 4.252 ( -2.369 -2.717 -0.000) 3.605 4.541 ( -6.282 -9.559 -0.000) 11.439 4.697 ( -0.752 -3.817 -0.000) 3.890 5.423 ( 6.178 -1.667 0.000) 6.399 5.706 ( 1.895 24.797 0.000) 24.869 5.854 ( -13.449 0.390 -0.000) 13.455 6.169 ( -7.730 -5.757 -0.000) 9.638 6.443 ( 9.137 -9.227 0.000) 12.986 6.542 ( 2.358 -17.663 0.000) 17.819 7.437 ( 9.926 23.733 0.000) 25.725 7.907 ( -10.931 -11.365 -0.000) 15.769 8.148 ( 19.807 -1.602 0.000) 19.871 9.059 ( 15.156 -10.661 0.000) 18.530 9.151 ( -8.367 16.989 -0.000) 18.938 10.294 ( 1.305 6.402 0.000) 6.534 10.426 ( -1.394 9.912 -0.000) 10.010 11.062 ( 17.136 11.871 0.000) 20.847 11.550 ( -11.904 5.972 -0.000) 13.319 12.140 ( -8.443 -23.537 -0.000) 25.005 12.483 ( 2.246 6.340 0.000) 6.726 12.925 ( -0.020 -17.525 -0.000) 17.525 13.294 ( -10.798 7.569 -0.000) 13.187 13.895 ( 1.234 -15.320 -0.000) 15.369 14.007 ( -3.703 7.670 -0.000) 8.518 14.331 ( 7.926 14.165 0.000) 16.232 14.385 ( 9.771 0.072 0.000) 9.771 14.795 ( -6.946 -1.396 -0.000) 7.085 14.947 ( 12.809 -6.646 0.000) 14.431 15.559 ( 7.501 5.400 0.000) 9.243 16.342 ( -6.115 4.783 -0.000) 7.763 16.385 ( -1.750 6.431 -0.000) 6.665 17.593 ( -1.770 -0.838 -0.000) 1.958 17.839 ( -2.749 0.100 -0.000) 2.751 18.007 ( -4.007 -12.106 -0.000) 12.752 18.257 ( -0.818 5.731 -0.000) 5.789 ======================= Grid point 159 (111/148) ======================= q-point: ( 0.19 -0.19 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( -7.249 1.737 -0.000) 7.454 2.906 ( -10.492 -4.096 -0.000) 11.263 3.224 ( -5.691 -2.183 -0.000) 6.096 3.311 ( -2.378 11.515 -0.000) 11.758 3.549 ( 14.656 1.119 0.000) 14.699 3.803 ( -5.399 -4.167 -0.000) 6.820 4.034 ( -5.198 -15.550 -0.000) 16.396 4.042 ( 5.753 -4.920 0.000) 7.570 4.292 ( 1.397 0.188 0.000) 1.409 4.670 ( 0.041 -1.589 -0.000) 1.590 5.266 ( -4.443 -10.115 -0.000) 11.047 5.445 ( -22.200 -3.465 -0.000) 22.469 5.611 ( -11.364 -12.896 -0.000) 17.188 6.216 ( -3.232 14.420 -0.000) 14.778 6.628 ( 16.456 2.534 0.000) 16.650 6.687 ( 18.739 0.162 0.000) 18.740 7.525 ( -7.958 -5.187 -0.000) 9.499 8.141 ( 10.971 22.017 0.000) 24.599 8.454 ( 5.890 3.023 0.000) 6.620 9.259 ( 28.315 -13.570 0.000) 31.399 9.273 ( -11.575 16.396 -0.000) 20.070 10.423 ( -1.542 6.019 -0.000) 6.213 10.558 ( -3.217 9.173 -0.000) 9.721 11.351 ( -9.904 -4.818 -0.000) 11.014 11.390 ( -20.955 -18.438 -0.000) 27.912 11.507 ( 8.831 1.079 0.000) 8.896 12.538 ( 0.461 -18.508 -0.000) 18.514 12.648 ( -1.418 7.619 -0.000) 7.749 13.231 ( -3.827 3.053 -0.000) 4.896 13.596 ( 0.045 -16.002 -0.000) 16.002 13.874 ( -11.108 -1.908 -0.000) 11.270 14.519 ( 2.666 -0.245 0.000) 2.678 14.768 ( 9.589 7.760 0.000) 12.336 14.844 ( -0.566 11.778 0.000) 11.792 14.866 ( 2.599 -14.116 0.000) 14.353 15.624 ( 0.213 -6.811 -0.000) 6.814 16.382 ( -5.755 10.458 -0.000) 11.937 16.472 ( -1.452 5.107 -0.000) 5.309 17.408 ( -6.866 -10.734 -0.000) 12.743 17.818 ( -1.509 2.334 -0.000) 2.779 17.834 ( 5.252 -3.205 0.000) 6.153 18.398 ( 1.611 7.050 0.000) 7.232 ======================= Grid point 161 (112/148) ======================= q-point: (-0.31 -0.19 0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 0.000 18.932 0.000) 18.932 2.953 ( -0.000 6.935 -0.000) 6.935 3.229 ( 0.000 -5.748 0.000) 5.748 3.263 ( -0.000 5.423 0.000) 5.423 3.521 ( -0.000 0.072 0.000) 0.072 3.579 ( 0.000 -4.191 0.000) 4.191 3.879 ( -0.000 5.790 0.000) 5.790 4.198 ( -0.000 0.700 0.000) 0.700 4.432 ( -0.000 -2.979 0.000) 2.979 4.503 ( -0.000 -7.595 0.000) 7.595 5.654 ( 0.000 21.886 0.000) 21.886 5.679 ( -0.000 12.804 -0.000) 12.804 5.739 ( -0.000 4.523 0.000) 4.523 5.916 ( -0.000 -3.509 0.000) 3.509 6.557 ( -0.000 -2.110 0.000) 2.110 7.089 ( 0.000 -18.964 0.000) 18.964 7.279 ( -0.000 8.134 0.000) 8.134 7.908 ( -0.000 -22.030 0.000) 22.030 8.664 ( -0.000 9.655 0.000) 9.655 9.144 ( -0.000 -13.959 -0.000) 13.959 9.489 ( -0.000 -0.079 0.000) 0.079 9.640 ( -0.000 -6.960 0.000) 6.960 10.780 ( 0.000 12.835 0.000) 12.835 11.192 ( -0.000 -6.879 0.000) 6.879 11.239 ( -0.000 12.294 -0.000) 12.294 11.591 ( -0.000 -2.474 0.000) 2.474 12.850 ( -0.000 11.579 0.000) 11.579 13.016 ( -0.000 15.527 0.000) 15.527 13.447 ( -0.000 1.497 0.000) 1.497 13.770 ( -0.000 2.691 0.000) 2.691 14.074 ( -0.000 6.399 0.000) 6.399 14.133 ( -0.000 -6.894 -0.000) 6.894 14.506 ( -0.000 -4.805 0.000) 4.805 14.642 ( 0.000 -8.232 -0.000) 8.232 15.391 ( -0.000 3.776 0.000) 3.776 15.512 ( -0.000 19.527 0.000) 19.527 15.692 ( -0.000 -9.770 0.000) 9.770 16.230 ( -0.000 -14.412 0.000) 14.412 17.617 ( -0.000 16.250 0.000) 16.250 17.786 ( -0.000 11.025 0.000) 11.025 18.243 ( -0.000 -7.007 0.000) 7.007 18.351 ( -0.000 -14.826 0.000) 14.826 ======================= Grid point 163 (113/148) ======================= q-point: ( 0.19 -0.19 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -20.312 -18.329 -0.000) 27.359 2.556 ( -22.466 -0.105 -0.000) 22.467 3.122 ( -5.815 1.522 -0.000) 6.011 3.376 ( -6.884 4.482 -0.000) 8.215 3.523 ( -8.427 -6.519 -0.000) 10.654 3.738 ( 2.522 -6.403 0.000) 6.881 3.831 ( 13.883 -3.603 0.000) 14.343 4.060 ( -8.889 1.338 -0.000) 8.989 4.421 ( -8.144 -12.775 -0.000) 15.150 4.458 ( 8.511 2.766 0.000) 8.949 4.866 ( -17.758 -0.120 -0.000) 17.758 5.148 ( -10.080 -8.459 -0.000) 13.159 5.157 ( -4.712 1.387 -0.000) 4.912 6.294 ( -8.543 5.774 -0.000) 10.311 7.100 ( 19.917 3.856 0.000) 20.287 7.117 ( 19.522 1.241 0.000) 19.561 7.410 ( 0.307 1.212 0.000) 1.250 8.474 ( -2.516 0.359 -0.000) 2.542 8.741 ( 8.286 13.357 0.000) 15.718 9.334 ( -13.611 16.039 -0.000) 21.036 9.653 ( 28.637 -8.330 0.000) 29.824 10.388 ( -24.793 -13.552 -0.000) 28.256 10.482 ( -8.263 -6.464 -0.000) 10.491 10.676 ( -2.470 8.491 -0.000) 8.843 11.132 ( -9.606 2.041 -0.000) 9.821 11.436 ( -2.870 -10.513 -0.000) 10.898 12.212 ( -2.613 -10.787 -0.000) 11.099 12.685 ( -8.363 1.254 -0.000) 8.456 13.275 ( 2.116 1.351 0.000) 2.510 13.297 ( 2.197 -12.523 0.000) 12.715 13.601 ( -12.690 0.617 -0.000) 12.705 14.512 ( -4.096 -12.829 -0.000) 13.467 14.516 ( -6.212 3.045 -0.000) 6.918 15.071 ( 0.326 8.824 0.000) 8.830 15.120 ( 9.411 4.078 0.000) 10.257 15.414 ( -1.716 -9.489 -0.000) 9.643 16.327 ( -18.660 6.051 -0.000) 19.616 16.519 ( -1.170 2.485 -0.000) 2.747 17.140 ( 5.083 -8.685 0.000) 10.063 17.849 ( -1.689 3.448 -0.000) 3.839 17.968 ( 8.215 0.265 0.000) 8.219 18.566 ( 2.564 4.376 0.000) 5.072 ======================= Grid point 164 (114/148) ======================= q-point: ( 0.19 -0.19 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -24.773 -0.000 -0.000) 24.773 1.987 ( -29.351 -0.000 -0.000) 29.351 2.955 ( -12.742 -0.000 -0.000) 12.742 3.243 ( -9.340 -0.000 -0.000) 9.340 3.278 ( -7.632 -0.000 -0.000) 7.632 3.424 ( -42.840 -0.000 -0.000) 42.840 3.853 ( 11.489 0.000 0.000) 11.489 4.041 ( 12.534 0.000 0.000) 12.534 4.253 ( 1.320 0.000 0.000) 1.320 4.627 ( 2.555 0.000 0.000) 2.555 4.699 ( -2.095 -0.000 -0.000) 2.095 4.933 ( -2.061 -0.000 -0.000) 2.061 5.054 ( -7.577 -0.000 -0.000) 7.577 6.112 ( -13.306 -0.000 -0.000) 13.306 7.510 ( 16.458 0.000 0.000) 16.458 7.511 ( 5.692 0.000 0.000) 5.692 7.543 ( 17.702 0.000 0.000) 17.702 8.376 ( -5.566 -0.000 -0.000) 5.566 9.035 ( 6.551 0.000 0.000) 6.551 9.327 ( -41.337 -0.000 -0.000) 41.337 9.359 ( -8.758 -0.000 -0.000) 8.758 10.069 ( 18.597 0.000 0.000) 18.597 10.376 ( -5.590 -0.000 -0.000) 5.590 10.738 ( -1.802 -0.000 -0.000) 1.802 11.079 ( -0.972 -0.000 -0.000) 0.972 11.221 ( -2.015 -0.000 -0.000) 2.015 12.023 ( -4.869 -0.000 -0.000) 4.869 12.307 ( -19.207 -0.000 -0.000) 19.207 13.283 ( 5.729 0.000 0.000) 5.729 13.295 ( -2.482 -0.000 -0.000) 2.482 13.360 ( -11.066 -0.000 -0.000) 11.066 14.272 ( -5.289 -0.000 -0.000) 5.289 14.376 ( -9.512 -0.000 -0.000) 9.512 15.114 ( -5.049 -0.000 -0.000) 5.049 15.239 ( -8.170 -0.000 -0.000) 8.170 15.337 ( 7.643 0.000 0.000) 7.643 16.025 ( -9.357 -0.000 -0.000) 9.357 16.528 ( -0.586 -0.000 -0.000) 0.586 17.219 ( 7.750 0.000 0.000) 7.750 17.853 ( -2.176 -0.000 -0.000) 2.176 18.142 ( 7.649 0.000 0.000) 7.649 18.654 ( 1.519 0.000 0.000) 1.519 ======================= Grid point 165 (115/148) ======================= q-point: (-0.31 -0.19 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( -7.501 0.000 -0.000) 7.501 2.975 ( -10.533 -0.000 0.000) 10.533 3.042 ( -8.337 0.000 0.000) 8.337 3.163 ( -2.372 -0.000 0.000) 2.372 3.168 ( -15.752 0.000 0.000) 15.752 3.697 ( 7.214 0.000 0.000) 7.214 4.078 ( 0.530 -0.000 0.000) 0.530 4.259 ( 2.169 0.000 0.000) 2.169 4.371 ( 7.757 -0.000 0.000) 7.757 4.557 ( 9.108 -0.000 0.000) 9.108 5.517 ( -13.188 0.000 0.000) 13.188 5.724 ( -5.489 -0.000 0.000) 5.489 6.035 ( 7.274 -0.000 -0.000) 7.274 6.176 ( 14.292 0.000 0.000) 14.292 6.561 ( -6.667 0.000 0.000) 6.667 6.756 ( 0.684 -0.000 -0.000) 0.684 7.211 ( -12.023 0.000 0.000) 12.023 7.858 ( 15.108 0.000 0.000) 15.108 8.743 ( -14.247 -0.000 0.000) 14.247 8.873 ( -1.178 0.000 0.000) 1.178 9.325 ( -7.181 0.000 -0.000) 7.181 9.689 ( 5.236 0.000 0.000) 5.236 10.792 ( -10.239 -0.000 0.000) 10.239 10.807 ( -19.412 0.000 -0.000) 19.412 11.583 ( 13.415 0.000 0.000) 13.415 11.772 ( 16.569 -0.000 -0.000) 16.569 12.869 ( -11.134 0.000 0.000) 11.134 13.220 ( 4.881 0.000 0.000) 4.881 13.607 ( -0.174 0.000 0.000) 0.174 13.610 ( -0.953 -0.000 -0.000) 0.953 14.020 ( -4.029 0.000 0.000) 4.029 14.212 ( -3.552 0.000 0.000) 3.552 14.380 ( 2.176 -0.000 0.000) 2.176 14.657 ( 6.665 0.000 0.000) 6.665 15.267 ( -12.568 0.000 0.000) 12.568 15.626 ( -7.887 0.000 0.000) 7.887 15.658 ( -1.816 -0.000 0.000) 1.816 16.067 ( 4.595 0.000 0.000) 4.595 17.854 ( -0.083 0.000 0.000) 0.083 17.992 ( 6.085 -0.000 0.000) 6.085 18.139 ( 1.537 0.000 0.000) 1.537 18.182 ( 2.915 0.000 0.000) 2.915 ======================= Grid point 171 (116/148) ======================= q-point: (-0.46 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -0.000 -1.385 -8.575) 8.687 2.497 ( -0.000 0.549 -10.893) 10.907 2.681 ( -0.000 -5.297 -25.787) 26.325 3.248 ( -0.000 15.550 -5.910) 16.635 3.406 ( -0.000 12.762 -5.658) 13.960 3.958 ( -0.000 -3.565 -3.144) 4.753 4.265 ( -0.000 -4.863 -6.114) 7.812 4.331 ( 0.000 7.020 1.352) 7.149 4.469 ( -0.000 -7.265 1.564) 7.432 4.945 ( 0.000 -1.188 8.046) 8.133 5.030 ( -0.000 -25.015 -19.521) 31.730 5.151 ( -0.000 -4.273 -3.130) 5.297 5.473 ( -0.000 -9.526 -14.478) 17.330 6.146 ( -0.000 -17.240 -4.555) 17.832 6.792 ( 0.000 0.109 12.796) 12.796 6.850 ( 0.000 19.961 20.178) 28.383 7.423 ( 0.000 -3.782 1.585) 4.100 7.571 ( 0.000 14.659 3.534) 15.079 8.425 ( 0.000 6.042 14.567) 15.770 8.692 ( -0.000 -5.217 -3.676) 6.382 9.691 ( -0.000 13.178 -4.240) 13.843 9.950 ( -0.000 9.953 -17.913) 20.492 10.444 ( -0.000 6.536 -9.201) 11.287 10.941 ( -0.000 15.782 -5.054) 16.571 11.505 ( -0.000 -27.711 -3.642) 27.950 11.911 ( -0.000 -3.513 0.868) 3.619 12.387 ( -0.000 -14.487 -7.290) 16.218 13.034 ( 0.000 6.681 6.888) 9.596 13.336 ( -0.000 -10.471 -8.975) 13.791 13.664 ( 0.000 -8.481 5.099) 9.896 14.164 ( 0.000 -1.420 4.435) 4.656 14.280 ( -0.000 4.232 -7.849) 8.918 14.437 ( 0.000 11.724 5.820) 13.089 14.617 ( -0.000 -6.231 -15.717) 16.907 14.676 ( 0.000 4.340 2.868) 5.202 15.358 ( -0.000 -0.718 -9.178) 9.206 16.094 ( -0.000 9.539 -4.638) 10.607 16.318 ( -0.000 3.292 -18.892) 19.177 17.482 ( 0.000 -11.979 7.774) 14.281 17.928 ( -0.000 -11.075 1.450) 11.170 18.395 ( 0.000 3.120 7.106) 7.761 18.530 ( 0.000 7.929 9.299) 12.220 ======================= Grid point 174 (117/148) ======================= q-point: (-0.46 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 10.338 -1.311 -17.142) 20.061 2.508 ( 2.725 -0.977 -14.382) 14.671 2.676 ( 8.326 -7.622 -14.671) 18.511 3.365 ( -8.288 4.875 -11.858) 15.266 3.559 ( -0.915 -0.225 -1.825) 2.054 3.836 ( -4.103 -0.060 -4.581) 6.150 4.146 ( 0.086 -4.197 -14.174) 14.783 4.325 ( -9.765 2.038 1.724) 10.124 4.457 ( 1.064 6.822 -4.231) 8.098 4.751 ( -0.337 -8.798 -2.590) 9.177 4.863 ( -0.611 -6.952 1.413) 7.120 5.212 ( 11.365 5.090 -10.821) 16.497 5.355 ( 5.160 -7.275 -10.288) 13.616 5.858 ( 3.566 -14.990 -3.749) 15.858 6.759 ( -4.234 0.705 16.228) 16.786 7.129 ( -2.415 10.047 19.173) 21.780 7.590 ( 20.551 -1.320 2.055) 20.696 7.736 ( -1.632 3.993 5.488) 6.980 8.561 ( -1.730 3.479 9.294) 10.074 8.613 ( 0.229 1.811 0.653) 1.938 9.895 ( -1.708 8.676 -6.259) 10.834 10.142 ( 1.072 7.196 -18.670) 20.038 10.578 ( 0.738 5.336 -7.695) 9.393 10.994 ( -1.566 -18.171 -5.155) 18.953 11.313 ( 0.747 13.808 -7.055) 15.524 11.798 ( -3.783 -3.915 -3.653) 6.556 12.129 ( 1.175 -10.667 -5.853) 12.224 13.063 ( -4.745 3.215 1.458) 5.914 13.239 ( 3.697 -5.522 -3.684) 7.598 13.349 ( -2.518 -14.712 4.319) 15.539 14.230 ( 7.802 -0.979 6.609) 10.272 14.382 ( 0.103 3.433 -6.680) 7.511 14.473 ( -2.649 0.708 -8.035) 8.490 14.666 ( 1.951 4.769 -11.301) 12.420 14.764 ( 1.295 0.808 3.788) 4.084 15.297 ( -1.923 -2.507 -10.463) 10.930 16.314 ( 3.647 8.407 -5.783) 10.836 16.424 ( 3.493 3.602 -20.682) 21.282 17.244 ( -2.598 -8.608 9.983) 13.435 17.657 ( -6.463 -8.814 1.527) 11.036 18.441 ( -0.318 1.906 7.798) 8.034 18.663 ( 0.374 5.087 10.973) 12.101 ======================= Grid point 175 (118/148) ======================= q-point: (-0.46 -0.21 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 5.991 0.000 -23.926) 24.664 2.443 ( -1.920 0.000 -18.594) 18.693 2.805 ( 10.924 0.000 -3.044) 11.340 3.199 ( -9.994 0.000 -14.884) 17.928 3.469 ( -5.751 -0.000 1.387) 5.916 3.736 ( -4.780 -0.000 -2.770) 5.524 4.140 ( -7.939 -0.000 3.498) 8.676 4.149 ( 1.246 0.000 -5.409) 5.550 4.620 ( 0.986 0.000 -0.549) 1.129 4.638 ( 1.664 -0.000 4.508) 4.805 4.821 ( 6.720 0.000 -12.904) 14.549 5.315 ( 0.144 0.000 -3.161) 3.164 5.664 ( -1.156 0.000 -7.289) 7.380 5.730 ( 18.656 0.000 -9.943) 21.140 6.644 ( -6.421 -0.000 16.749) 17.937 7.155 ( -4.008 -0.000 16.315) 16.800 7.691 ( -4.282 -0.000 6.178) 7.517 8.191 ( 35.072 0.000 3.271) 35.224 8.494 ( -2.618 0.000 -4.219) 4.965 8.717 ( 2.121 -0.000 8.461) 8.722 9.941 ( -3.276 0.000 -3.322) 4.665 10.248 ( 0.980 0.000 -17.469) 17.496 10.680 ( -7.086 0.000 -4.414) 8.348 10.683 ( 1.552 0.000 -5.767) 5.972 11.405 ( -4.695 0.000 -6.759) 8.229 11.612 ( -9.520 -0.000 -5.363) 10.927 12.071 ( 3.528 0.000 -2.754) 4.476 13.048 ( -1.037 0.000 -3.386) 3.541 13.120 ( -1.939 -0.000 4.239) 4.661 13.248 ( 1.416 0.000 -1.018) 1.744 14.288 ( -9.528 -0.000 -2.701) 9.903 14.396 ( 8.143 0.000 2.352) 8.476 14.581 ( 9.381 0.000 1.459) 9.494 14.760 ( 1.323 0.000 -16.546) 16.599 14.768 ( 0.370 -0.000 3.464) 3.483 15.217 ( -2.570 0.000 -6.284) 6.789 16.544 ( 4.411 0.000 -28.857) 29.193 16.566 ( 8.709 0.000 -0.692) 8.737 17.064 ( -5.151 -0.000 11.351) 12.465 17.353 ( -12.170 -0.000 1.910) 12.319 18.452 ( -0.545 -0.000 6.370) 6.394 18.743 ( 1.931 -0.000 11.057) 11.224 ======================= Grid point 187 (119/148) ======================= q-point: ( 0.40 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 0.000 4.089 -0.481) 4.117 2.715 ( -0.000 4.836 -10.611) 11.661 2.938 ( 0.000 14.795 1.094) 14.835 3.145 ( -0.000 15.497 -9.006) 17.924 3.185 ( -0.000 5.881 -13.188) 14.440 4.052 ( -0.000 -0.204 -1.875) 1.887 4.226 ( 0.000 4.035 -0.827) 4.119 4.332 ( -0.000 -2.104 -0.286) 2.124 4.593 ( 0.000 -9.273 3.454) 9.895 4.754 ( 0.000 1.684 8.731) 8.892 5.218 ( -0.000 1.526 -1.821) 2.375 5.801 ( 0.000 2.133 7.214) 7.523 5.928 ( -0.000 -3.202 -15.887) 16.206 6.133 ( -0.000 0.864 -2.189) 2.354 6.556 ( -0.000 -22.366 1.900) 22.447 6.584 ( 0.000 -5.747 13.028) 14.239 7.158 ( 0.000 24.520 -2.469) 24.644 7.518 ( -0.000 -6.211 -0.778) 6.260 8.237 ( 0.000 -8.947 6.957) 11.333 8.826 ( -0.000 -4.137 -0.736) 4.202 9.378 ( 0.000 18.413 1.888) 18.509 10.045 ( -0.000 11.578 -15.212) 19.117 10.520 ( -0.000 5.002 -8.824) 10.143 10.602 ( 0.000 16.226 6.592) 17.514 11.846 ( 0.000 2.882 5.209) 5.953 12.142 ( -0.000 -26.453 -2.866) 26.608 12.706 ( 0.000 9.866 6.703) 11.927 12.777 ( -0.000 -10.394 -5.683) 11.846 13.680 ( 0.000 0.946 1.150) 1.489 13.739 ( -0.000 -10.201 -7.927) 12.919 14.042 ( 0.000 14.588 5.268) 15.510 14.167 ( 0.000 -5.298 2.485) 5.852 14.262 ( 0.000 9.453 -2.821) 9.865 14.539 ( 0.000 3.229 2.688) 4.201 14.898 ( -0.000 -5.369 -2.852) 6.080 15.381 ( 0.000 8.950 -1.667) 9.104 16.112 ( -0.000 5.734 -16.516) 17.483 16.537 ( -0.000 4.492 -7.172) 8.462 17.613 ( -0.000 -10.200 2.639) 10.536 18.108 ( 0.000 2.007 14.500) 14.638 18.131 ( -0.000 -10.793 0.664) 10.813 18.295 ( 0.000 5.789 1.107) 5.893 ======================= Grid point 190 (120/148) ======================= q-point: (-0.60 -0.23 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 15.731 1.912 -2.361) 16.022 2.750 ( 2.939 -0.783 -12.055) 12.433 3.165 ( 3.045 -3.775 -15.958) 16.679 3.326 ( -1.790 17.772 -6.891) 19.145 3.511 ( -0.027 9.360 -0.630) 9.382 3.924 ( -2.379 -8.282 3.397) 9.262 4.160 ( -10.503 4.891 0.493) 11.597 4.258 ( -2.154 -2.852 1.226) 3.778 4.528 ( -4.570 -1.375 -2.667) 5.467 4.713 ( -1.342 -0.886 7.373) 7.546 5.200 ( 2.886 -7.776 -3.400) 8.964 5.594 ( 10.700 -13.301 -19.154) 25.658 5.761 ( -3.925 -7.555 -15.470) 17.658 6.201 ( 3.909 -15.654 2.088) 16.269 6.447 ( -4.910 -1.617 16.975) 17.745 6.486 ( 0.117 17.856 15.704) 23.779 7.594 ( 5.669 7.153 -5.020) 10.417 7.634 ( 15.492 0.561 -0.722) 15.519 8.103 ( -1.986 3.640 15.535) 16.079 8.759 ( 1.205 -4.450 -2.491) 5.240 9.680 ( -5.378 16.943 0.103) 17.776 10.279 ( 1.261 9.565 -13.203) 16.353 10.613 ( -0.718 6.061 -6.202) 8.702 11.060 ( 6.571 18.654 -2.315) 19.913 11.551 ( -2.310 -26.520 -2.292) 26.718 11.861 ( -1.797 -1.227 1.634) 2.721 12.499 ( -1.463 -13.480 -4.829) 14.394 12.865 ( -3.469 7.105 5.298) 9.518 13.498 ( -2.813 -9.225 -1.389) 9.744 13.553 ( -0.592 -10.670 -1.738) 10.827 14.156 ( 7.059 -2.993 4.129) 8.709 14.282 ( -4.754 8.157 4.089) 10.289 14.438 ( 3.591 7.169 -3.637) 8.804 14.677 ( 4.747 0.868 1.437) 5.035 14.872 ( -0.285 4.443 -8.638) 9.718 15.504 ( -0.093 1.276 -7.044) 7.159 16.239 ( 1.604 6.889 -9.836) 12.115 16.636 ( -0.517 6.392 -5.473) 8.431 17.387 ( -0.757 -10.487 -4.918) 11.607 17.853 ( -4.954 -11.992 0.689) 12.993 18.139 ( 0.260 1.917 18.192) 18.294 18.411 ( -0.521 6.100 2.751) 6.712 ======================= Grid point 191 (121/148) ======================= q-point: (-0.60 -0.23 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 0.159 -0.884 -18.042) 18.064 2.798 ( 13.989 0.926 -2.611) 14.261 3.033 ( 0.362 -14.672 -8.285) 16.854 3.393 ( -1.992 -1.856 0.790) 2.834 3.513 ( -8.941 7.611 -13.064) 17.565 3.816 ( -8.304 -0.634 -5.764) 10.129 4.069 ( -6.600 -1.065 4.545) 8.084 4.160 ( -2.727 2.481 4.332) 5.688 4.350 ( -3.439 4.441 7.736) 9.560 4.670 ( -1.853 -5.575 4.921) 7.664 5.093 ( 3.399 -3.825 -8.226) 9.688 5.475 ( -7.284 -7.956 -5.654) 12.179 5.777 ( 4.590 1.010 -12.622) 13.468 6.064 ( 6.802 -5.481 -6.539) 10.912 6.386 ( 5.570 -2.525 10.212) 11.903 6.750 ( -0.042 8.373 16.296) 18.321 7.594 ( -4.854 -0.969 2.018) 5.345 8.137 ( 30.797 0.351 1.439) 30.832 8.368 ( 5.873 10.218 8.516) 14.541 8.700 ( 2.112 -3.951 -3.756) 5.846 9.833 ( -8.467 12.850 0.461) 15.395 10.455 ( -0.498 6.692 -11.818) 13.590 10.715 ( -1.332 5.304 -5.754) 7.939 11.001 ( -4.388 -20.377 -1.857) 20.926 11.446 ( 0.536 7.810 -4.546) 9.052 11.707 ( -11.169 -1.541 -1.815) 11.420 12.223 ( 1.113 -11.075 -1.210) 11.197 12.925 ( -4.328 8.309 1.122) 9.436 13.236 ( 0.046 -9.604 2.457) 9.913 13.354 ( -1.545 -8.560 -1.400) 8.810 14.188 ( -12.072 4.069 3.569) 13.229 14.330 ( 12.116 -1.956 4.517) 13.078 14.624 ( 3.380 -4.532 -0.737) 5.702 14.722 ( 3.703 2.945 0.275) 4.739 15.026 ( -0.814 9.669 -12.249) 15.626 15.406 ( -3.353 -6.160 -9.638) 11.920 16.473 ( 4.865 8.690 -2.895) 10.372 16.756 ( -1.212 6.038 4.774) 7.792 17.197 ( -0.952 -7.319 -18.211) 19.650 17.468 ( -7.774 -10.797 -1.483) 13.387 18.203 ( 1.619 1.987 18.447) 18.624 18.522 ( 1.128 4.332 4.700) 6.490 ======================= Grid point 194 (122/148) ======================= q-point: ( 0.40 -0.23 -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 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -15.731 -0.000 -3.830) 16.190 2.817 ( -12.054 0.000 -16.472) 20.411 3.071 ( 7.418 0.000 -5.586) 9.286 3.305 ( -6.788 0.000 -13.957) 15.520 3.419 ( -2.434 0.000 -6.893) 7.310 3.674 ( 0.750 -0.000 3.460) 3.541 3.932 ( -4.863 -0.000 6.221) 7.896 4.174 ( 0.889 0.000 -4.006) 4.103 4.413 ( -2.649 -0.000 13.705) 13.958 4.562 ( 2.060 -0.000 9.864) 10.077 5.121 ( -5.205 0.000 -4.068) 6.606 5.204 ( -5.809 -0.000 -2.055) 6.162 5.522 ( -19.075 -0.000 6.719) 20.224 6.303 ( 7.969 0.000 -14.042) 16.145 6.612 ( 16.975 0.000 -5.954) 17.989 6.870 ( 7.342 -0.000 12.556) 14.545 7.509 ( -2.130 -0.000 5.844) 6.220 8.500 ( -0.552 0.000 -1.216) 1.335 8.737 ( 5.381 0.000 0.171) 5.384 8.893 ( 36.098 0.000 2.247) 36.168 9.803 ( -9.338 -0.000 1.927) 9.535 10.499 ( -2.982 0.000 -9.455) 9.914 10.542 ( -14.894 -0.000 -3.519) 15.304 10.782 ( -1.198 0.000 -3.859) 4.041 11.349 ( -11.280 -0.000 -3.280) 11.747 11.451 ( -8.987 -0.000 -0.391) 8.995 12.137 ( 0.526 0.000 0.126) 0.541 13.031 ( -8.972 -0.000 0.172) 8.973 13.077 ( 2.273 0.000 0.389) 2.306 13.223 ( 2.200 -0.000 1.864) 2.884 13.959 ( -13.369 -0.000 5.686) 14.528 14.486 ( 0.414 -0.000 1.689) 1.739 14.585 ( 4.337 -0.000 6.670) 7.956 14.905 ( 7.530 0.000 -5.437) 9.288 15.147 ( -2.016 0.000 -17.270) 17.387 15.225 ( -0.219 -0.000 0.278) 0.354 16.670 ( -0.161 -0.000 8.516) 8.518 16.849 ( -20.453 -0.000 -5.256) 21.118 16.853 ( 6.404 0.000 1.001) 6.482 17.351 ( 5.345 0.000 -22.554) 23.178 18.263 ( 1.927 -0.000 16.002) 16.118 18.613 ( 2.665 -0.000 6.296) 6.837 ======================= Grid point 203 (123/148) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 0.000 15.088 0.000) 15.088 2.465 ( 0.000 15.568 0.000) 15.568 2.704 ( 0.000 27.937 0.000) 27.937 2.918 ( -0.000 -2.653 -0.000) 2.653 3.298 ( 0.000 4.564 0.000) 4.564 4.098 ( -0.000 -2.890 -0.000) 2.890 4.181 ( 0.000 0.710 0.000) 0.710 4.319 ( 0.000 7.499 0.000) 7.499 4.623 ( 0.000 2.348 0.000) 2.348 4.683 ( -0.000 -2.883 -0.000) 2.883 5.014 ( 0.000 32.487 0.000) 32.487 5.270 ( 0.000 0.292 0.000) 0.292 6.040 ( 0.000 7.093 0.000) 7.093 6.209 ( 0.000 19.622 0.000) 19.622 6.643 ( -0.000 -11.982 -0.000) 11.982 6.969 ( -0.000 -8.772 -0.000) 8.772 7.079 ( -0.000 -28.432 -0.000) 28.432 7.666 ( -0.000 -6.293 -0.000) 6.293 8.421 ( -0.000 -12.662 -0.000) 12.662 8.915 ( -0.000 -4.893 -0.000) 4.893 8.967 ( 0.000 18.691 0.000) 18.691 10.052 ( 0.000 19.907 0.000) 19.907 10.140 ( 0.000 3.084 0.000) 3.084 10.514 ( 0.000 4.922 0.000) 4.922 11.681 ( 0.000 6.365 0.000) 6.365 12.230 ( 0.000 16.452 0.000) 16.452 12.830 ( -0.000 -24.022 -0.000) 24.022 12.976 ( -0.000 -3.257 -0.000) 3.257 13.496 ( 0.000 25.598 0.000) 25.598 13.584 ( 0.000 6.734 0.000) 6.734 14.028 ( 0.000 14.470 0.000) 14.470 14.170 ( -0.000 -16.188 -0.000) 16.188 14.275 ( -0.000 -7.145 -0.000) 7.145 14.474 ( -0.000 -0.016 -0.000) 0.016 14.962 ( 0.000 4.347 0.000) 4.347 15.223 ( 0.000 1.993 0.000) 1.993 16.310 ( 0.000 5.606 0.000) 5.606 16.412 ( 0.000 4.421 0.000) 4.421 17.713 ( -0.000 -3.328 -0.000) 3.328 17.915 ( 0.000 2.914 0.000) 2.914 18.226 ( -0.000 -0.029 -0.000) 0.029 18.326 ( -0.000 -9.040 -0.000) 9.040 ======================= Grid point 204 (124/148) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -0.000 0.000 -23.690) 23.690 1.942 ( -0.000 0.000 -29.316) 29.316 2.416 ( -0.000 0.000 -4.871) 4.871 3.159 ( -0.000 0.000 -48.220) 48.220 3.327 ( -0.000 0.000 -14.102) 14.102 3.422 ( -0.000 0.000 -6.137) 6.137 3.952 ( 0.000 -0.000 3.230) 3.230 4.373 ( -0.000 0.000 -1.228) 1.228 4.740 ( 0.000 -0.000 4.385) 4.385 4.743 ( -0.000 0.000 -2.951) 2.951 4.819 ( -0.000 0.000 -6.310) 6.310 4.904 ( -0.000 0.000 -13.789) 13.789 4.948 ( 0.000 -0.000 7.779) 7.779 5.597 ( -0.000 0.000 -5.548) 5.548 7.091 ( 0.000 -0.000 12.428) 12.428 7.376 ( 0.000 -0.000 2.233) 2.233 7.624 ( 0.000 -0.000 17.402) 17.402 7.990 ( 0.000 -0.000 10.376) 10.376 8.440 ( -0.000 0.000 -7.682) 7.682 9.013 ( 0.000 -0.000 16.361) 16.361 9.783 ( -0.000 0.000 -11.607) 11.607 9.791 ( -0.000 0.000 -21.604) 21.604 10.503 ( -0.000 0.000 -6.108) 6.108 10.720 ( -0.000 0.000 -5.726) 5.726 11.344 ( -0.000 0.000 -8.117) 8.117 11.670 ( -0.000 0.000 -8.689) 8.689 11.884 ( -0.000 0.000 -4.206) 4.206 12.986 ( -0.000 0.000 -6.094) 6.094 13.199 ( 0.000 -0.000 0.479) 0.479 13.292 ( 0.000 -0.000 5.332) 5.332 13.976 ( -0.000 0.000 -29.126) 29.126 14.265 ( -0.000 0.000 -4.902) 4.902 14.265 ( 0.000 -0.000 6.527) 6.527 14.785 ( 0.000 -0.000 5.138) 5.138 14.812 ( 0.000 -0.000 0.806) 0.806 14.967 ( -0.000 0.000 -21.196) 21.196 15.974 ( -0.000 0.000 -17.274) 17.274 16.384 ( 0.000 -0.000 2.331) 2.331 17.371 ( 0.000 -0.000 7.049) 7.049 17.671 ( 0.000 -0.000 1.942) 1.942 18.576 ( 0.000 -0.000 4.248) 4.248 18.934 ( 0.000 -0.000 10.152) 10.152 ======================= Grid point 206 (125/148) ======================= q-point: ( 0.25 -0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 15.968 4.707 0.000) 16.647 2.904 ( 3.822 -0.962 0.000) 3.942 2.943 ( 3.989 22.861 0.000) 23.206 3.212 ( 0.671 19.813 0.000) 19.824 3.333 ( -3.095 2.427 -0.000) 3.933 4.039 ( -0.434 -5.471 -0.000) 5.488 4.113 ( -7.482 0.436 -0.000) 7.495 4.313 ( -2.768 -1.899 -0.000) 3.356 4.636 ( -2.686 -2.917 -0.000) 3.965 4.656 ( 4.829 -5.274 0.000) 7.151 5.308 ( 3.996 0.097 0.000) 3.997 5.660 ( 1.995 25.874 0.000) 25.951 6.074 ( -7.477 3.266 -0.000) 8.159 6.244 ( 1.240 -6.107 0.000) 6.231 6.359 ( -1.433 -15.538 -0.000) 15.604 6.517 ( 0.466 -24.497 -0.000) 24.502 7.264 ( 6.246 24.408 0.000) 25.194 7.719 ( 17.450 -5.535 0.000) 18.307 8.092 ( -6.417 -12.741 -0.000) 14.266 8.876 ( 4.412 -5.318 0.000) 6.910 9.299 ( -5.367 19.121 -0.000) 19.860 10.263 ( 1.431 6.994 0.000) 7.139 10.455 ( -1.666 14.963 -0.000) 15.056 10.754 ( 11.678 11.807 0.000) 16.606 11.731 ( -5.651 4.214 -0.000) 7.049 12.195 ( 1.342 -27.600 -0.000) 27.632 12.537 ( -6.333 11.364 -0.000) 13.009 12.898 ( 3.094 -13.028 0.000) 13.390 13.525 ( -10.609 5.044 -0.000) 11.747 13.871 ( 1.146 -14.932 -0.000) 14.976 14.020 ( 2.921 13.801 0.000) 14.107 14.202 ( 6.139 -4.903 0.000) 7.857 14.248 ( -0.283 13.167 0.000) 13.170 14.676 ( 12.315 0.130 0.000) 12.316 14.896 ( -2.738 -2.683 -0.000) 3.834 15.436 ( 4.000 9.610 0.000) 10.409 16.412 ( -0.859 5.611 -0.000) 5.677 16.441 ( -3.311 2.565 -0.000) 4.188 17.628 ( -1.487 -2.046 -0.000) 2.529 17.885 ( -1.601 -2.301 -0.000) 2.804 18.090 ( -3.233 -11.526 -0.000) 11.971 18.276 ( -0.803 5.189 -0.000) 5.251 ======================= Grid point 207 (126/148) ======================= q-point: ( 0.25 -0.25 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 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 15.127 2.733 0.000) 15.372 2.992 ( 2.482 0.661 0.000) 2.568 3.314 ( -0.890 1.965 -0.000) 2.157 3.368 ( -7.767 -4.464 -0.000) 8.959 3.411 ( 0.530 17.419 0.000) 17.427 3.885 ( 0.063 1.849 0.000) 1.850 3.974 ( -3.520 -5.026 -0.000) 6.136 4.156 ( -5.872 -8.144 -0.000) 10.040 4.358 ( -7.477 -6.531 -0.000) 9.928 4.668 ( 0.539 -0.066 0.000) 0.543 5.294 ( 0.768 -8.956 0.000) 8.989 5.817 ( -7.568 -12.291 -0.000) 14.434 5.863 ( -16.496 0.298 -0.000) 16.499 6.221 ( 6.867 9.854 0.000) 12.011 6.316 ( 12.710 -6.152 0.000) 14.120 6.357 ( 7.820 2.174 0.000) 8.116 7.704 ( -8.601 -8.594 -0.000) 12.158 7.925 ( 9.527 22.553 0.000) 24.483 8.126 ( 24.918 -0.592 0.000) 24.925 8.866 ( 8.473 -8.400 0.000) 11.931 9.501 ( -10.060 17.583 -0.000) 20.257 10.436 ( 0.227 7.455 0.000) 7.458 10.622 ( -2.748 9.211 -0.000) 9.612 11.292 ( 11.092 11.092 0.000) 15.686 11.488 ( -5.088 -20.820 -0.000) 21.432 11.735 ( -10.423 -4.773 -0.000) 11.464 12.519 ( -0.056 -13.972 -0.000) 13.972 12.725 ( -4.587 7.184 -0.000) 8.524 13.348 ( -6.796 -3.037 -0.000) 7.444 13.602 ( -0.338 -13.407 -0.000) 13.412 14.083 ( -8.881 2.479 -0.000) 9.221 14.339 ( 11.773 -3.366 0.000) 12.245 14.581 ( 7.619 10.318 0.000) 12.826 14.784 ( 5.245 -9.046 0.000) 10.456 14.906 ( -3.548 10.246 -0.000) 10.843 15.610 ( 1.330 -0.566 0.000) 1.446 16.450 ( -1.885 6.253 -0.000) 6.531 16.497 ( -0.967 4.558 -0.000) 4.660 17.556 ( -5.111 -4.076 -0.000) 6.537 17.777 ( -0.779 -9.451 -0.000) 9.483 17.832 ( -0.030 -0.278 -0.000) 0.280 18.381 ( 0.093 6.093 0.000) 6.093 ======================= Grid point 210 (127/148) ======================= q-point: ( 0.25 -0.25 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -17.504 -14.556 -0.000) 22.766 2.917 ( -9.324 3.828 -0.000) 10.080 3.176 ( 0.880 -0.576 0.000) 1.052 3.422 ( 5.495 -0.145 0.000) 5.497 3.631 ( 0.491 3.268 0.000) 3.304 3.703 ( -9.231 -4.936 -0.000) 10.468 3.767 ( -5.476 -6.877 -0.000) 8.791 4.088 ( 1.645 7.997 0.000) 8.164 4.308 ( 4.637 0.952 0.000) 4.734 4.543 ( -3.645 -10.398 -0.000) 11.019 5.171 ( -2.187 -0.341 -0.000) 2.213 5.368 ( -10.451 -10.092 -0.000) 14.528 5.406 ( -24.221 -0.717 -0.000) 24.231 6.442 ( -5.668 7.840 -0.000) 9.674 6.666 ( 21.449 0.754 0.000) 21.462 6.691 ( 21.062 0.197 0.000) 21.063 7.455 ( -4.485 -1.825 -0.000) 4.843 8.444 ( 6.471 6.736 0.000) 9.341 8.589 ( 7.864 10.958 0.000) 13.487 9.013 ( 28.897 -10.649 0.000) 30.797 9.597 ( -11.903 15.008 -0.000) 19.155 10.535 ( -2.885 4.637 -0.000) 5.461 10.735 ( -2.679 7.765 -0.000) 8.214 10.851 ( -12.721 -22.848 -0.000) 26.150 11.404 ( -16.622 -0.034 -0.000) 16.622 11.483 ( -1.393 -2.840 -0.000) 3.163 12.240 ( -0.027 -10.525 -0.000) 10.525 12.832 ( -5.293 10.293 -0.000) 11.574 13.228 ( 1.849 -2.027 0.000) 2.744 13.300 ( -2.414 -13.468 -0.000) 13.683 13.876 ( -13.427 1.723 -0.000) 13.537 14.518 ( 7.083 -0.017 0.000) 7.083 14.581 ( -2.579 -10.563 -0.000) 10.873 14.919 ( 9.620 4.620 0.000) 10.672 15.066 ( -1.758 10.179 -0.000) 10.330 15.470 ( -3.532 -8.332 -0.000) 9.050 16.543 ( -1.079 2.128 -0.000) 2.386 16.606 ( -4.800 12.030 -0.000) 12.952 17.151 ( -8.162 -14.115 -0.000) 16.305 17.805 ( 7.145 -0.368 0.000) 7.154 17.863 ( 0.434 1.955 0.000) 2.002 18.515 ( 2.185 4.283 0.000) 4.809 ======================= Grid point 211 (128/148) ======================= q-point: ( 0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -22.999 -0.000 -0.000) 22.999 2.561 ( -25.294 -0.000 -0.000) 25.294 3.144 ( -5.502 -0.000 -0.000) 5.502 3.399 ( -3.951 -0.000 -0.000) 3.951 3.449 ( -8.774 -0.000 -0.000) 8.774 3.701 ( 1.649 0.000 0.000) 1.649 3.786 ( 11.804 0.000 0.000) 11.804 4.128 ( -21.415 -0.000 -0.000) 21.415 4.238 ( 0.024 0.000 0.000) 0.024 4.487 ( 9.151 0.000 0.000) 9.151 4.867 ( -16.669 -0.000 -0.000) 16.669 5.058 ( -8.754 -0.000 -0.000) 8.754 5.181 ( -4.424 -0.000 -0.000) 4.424 6.353 ( -9.778 -0.000 -0.000) 9.778 7.129 ( 19.891 0.000 0.000) 19.891 7.134 ( 21.306 0.000 0.000) 21.306 7.427 ( 1.937 0.000 0.000) 1.937 8.478 ( -3.815 -0.000 -0.000) 3.815 8.882 ( 7.775 0.000 0.000) 7.775 9.561 ( -10.433 -0.000 -0.000) 10.433 9.564 ( 29.552 0.000 0.000) 29.552 10.106 ( -31.451 -0.000 -0.000) 31.451 10.492 ( -5.326 -0.000 -0.000) 5.326 10.783 ( -2.357 -0.000 -0.000) 2.357 11.149 ( -6.794 -0.000 -0.000) 6.794 11.304 ( -5.691 -0.000 -0.000) 5.691 12.107 ( -2.925 -0.000 -0.000) 2.925 12.700 ( -17.882 -0.000 -0.000) 17.882 13.164 ( 5.311 0.000 0.000) 5.311 13.284 ( 2.839 0.000 0.000) 2.839 13.614 ( -13.149 -0.000 -0.000) 13.149 14.378 ( -4.792 -0.000 -0.000) 4.792 14.547 ( -5.239 -0.000 -0.000) 5.239 15.161 ( 9.148 0.000 0.000) 9.148 15.228 ( -5.670 -0.000 -0.000) 5.670 15.249 ( 4.103 0.000 0.000) 4.103 16.396 ( -23.282 -0.000 -0.000) 23.282 16.543 ( -0.891 -0.000 -0.000) 0.891 17.042 ( 9.140 0.000 0.000) 9.140 17.887 ( -0.927 -0.000 -0.000) 0.927 17.971 ( 8.455 0.000 0.000) 8.455 18.612 ( 2.443 0.000 0.000) 2.443 ======================= Grid point 212 (129/148) ======================= q-point: (-0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( -0.924 -2.696 -0.000) 2.850 3.088 ( 0.924 2.696 0.000) 2.850 3.139 ( -0.688 -13.815 0.000) 13.832 3.139 ( 0.688 13.815 -0.000) 13.832 3.484 ( -11.035 -2.427 0.000) 11.299 3.484 ( 11.035 2.427 0.000) 11.299 4.134 ( -1.651 -9.743 0.000) 9.882 4.134 ( 1.651 9.743 0.000) 9.882 4.391 ( -5.895 -0.249 0.000) 5.900 4.391 ( 5.895 0.249 0.000) 5.900 5.805 ( -7.319 -0.745 -0.000) 7.357 5.805 ( 7.319 0.745 0.000) 7.357 5.903 ( -0.746 -0.038 0.000) 0.747 5.903 ( 0.746 0.038 0.000) 0.747 6.689 ( -0.747 -17.163 0.000) 17.180 6.689 ( 0.747 17.163 0.000) 17.180 7.521 ( -7.542 -14.200 0.000) 16.079 7.521 ( 7.542 14.200 0.000) 16.079 8.882 ( -0.069 -12.088 0.000) 12.088 8.882 ( 0.069 12.088 0.000) 12.088 9.528 ( -7.829 -2.430 0.000) 8.198 9.528 ( 7.829 2.430 0.000) 8.198 11.014 ( -1.540 -10.098 0.000) 10.214 11.014 ( 1.540 10.098 0.000) 10.214 11.462 ( -3.725 -8.560 -0.000) 9.336 11.462 ( 3.725 8.560 0.000) 9.336 13.076 ( -3.990 -7.248 0.000) 8.274 13.076 ( 3.990 7.248 0.000) 8.274 13.615 ( -0.004 -13.696 0.000) 13.696 13.615 ( 0.004 13.696 0.000) 13.696 14.137 ( -5.650 -1.187 -0.000) 5.773 14.137 ( 5.650 1.187 0.000) 5.773 14.488 ( -5.742 -3.802 0.000) 6.887 14.488 ( 5.742 3.802 0.000) 6.887 15.503 ( -5.019 -6.216 0.000) 7.989 15.503 ( 5.019 6.216 0.000) 7.989 15.907 ( -3.093 -17.179 0.000) 17.455 15.907 ( 3.093 17.179 0.000) 17.455 17.891 ( -0.896 -6.178 0.000) 6.243 17.891 ( 0.896 6.178 0.000) 6.243 18.135 ( -0.808 -0.534 0.000) 0.968 18.135 ( 0.808 0.534 0.000) 0.968 ======================= Grid point 223 (130/148) ======================= q-point: (-0.40 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -0.000 -1.281 -13.160) 13.222 2.517 ( -0.000 1.101 -8.169) 8.242 2.553 ( -0.000 -7.259 -25.640) 26.648 3.510 ( -0.000 9.755 -12.291) 15.691 3.513 ( -0.000 -1.796 -2.307) 2.924 3.881 ( -0.000 -0.151 -5.137) 5.139 4.145 ( -0.000 -5.701 -20.961) 21.722 4.430 ( -0.000 -2.291 -8.788) 9.082 4.494 ( 0.000 9.015 4.193) 9.942 4.724 ( -0.000 -3.260 -2.935) 4.387 4.884 ( 0.000 -5.192 8.915) 10.316 5.071 ( -0.000 -3.319 -8.594) 9.213 5.290 ( -0.000 -7.578 -16.439) 18.101 5.817 ( -0.000 -14.726 -2.196) 14.889 6.804 ( 0.000 0.843 15.134) 15.157 7.156 ( 0.000 10.437 20.022) 22.579 7.361 ( 0.000 -2.318 1.922) 3.011 7.758 ( 0.000 5.162 6.066) 7.965 8.587 ( 0.000 8.017 17.535) 19.281 8.607 ( -0.000 -3.099 -5.481) 6.297 9.912 ( -0.000 8.206 -8.318) 11.685 10.130 ( -0.000 7.569 -19.955) 21.342 10.567 ( -0.000 5.227 -7.333) 9.005 11.011 ( -0.000 -17.612 -5.702) 18.512 11.306 ( -0.000 16.305 -7.246) 17.842 11.829 ( -0.000 -4.045 -2.065) 4.542 12.123 ( -0.000 -10.477 -8.056) 13.216 13.132 ( 0.000 3.167 4.802) 5.752 13.178 ( -0.000 -5.242 -8.610) 10.080 13.384 ( 0.000 -16.622 6.776) 17.950 14.141 ( 0.000 -0.784 6.472) 6.519 14.350 ( -0.000 2.672 -7.092) 7.579 14.559 ( -0.000 -0.568 -26.110) 26.116 14.620 ( 0.000 6.334 5.137) 8.155 14.750 ( 0.000 2.686 2.741) 3.838 15.317 ( -0.000 -2.524 -11.484) 11.758 16.272 ( -0.000 7.544 -3.442) 8.293 16.388 ( -0.000 3.188 -22.944) 23.165 17.272 ( 0.000 -8.412 10.469) 13.430 17.727 ( -0.000 -8.271 1.635) 8.431 18.444 ( 0.000 1.735 8.555) 8.729 18.660 ( 0.000 4.736 11.163) 12.126 ======================= Grid point 224 (131/148) ======================= q-point: (-0.40 -0.27 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 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 11.641 0.000 -17.185) 20.757 2.460 ( -0.114 0.000 -23.058) 23.059 2.609 ( 7.099 0.000 -6.550) 9.659 3.390 ( -7.586 0.000 -8.652) 11.506 3.574 ( -3.662 0.000 -5.674) 6.753 3.837 ( -4.013 0.000 -9.457) 10.273 4.118 ( 1.161 0.000 -22.874) 22.903 4.312 ( -6.434 -0.000 3.939) 7.544 4.627 ( -1.073 -0.000 0.337) 1.125 4.636 ( -3.795 -0.000 2.123) 4.349 4.749 ( 0.607 0.000 -2.417) 2.492 5.263 ( 3.835 0.000 -12.618) 13.188 5.326 ( 19.181 0.000 -9.205) 21.275 5.657 ( 0.998 0.000 -1.804) 2.061 6.767 ( -4.451 -0.000 17.167) 17.734 7.231 ( -2.801 -0.000 18.996) 19.202 7.576 ( 22.060 0.000 2.207) 22.170 7.774 ( -3.103 -0.000 7.398) 8.023 8.547 ( -2.290 0.000 -4.117) 4.711 8.687 ( 0.928 -0.000 13.710) 13.742 9.986 ( -1.166 0.000 -8.131) 8.214 10.227 ( 0.868 0.000 -20.370) 20.388 10.645 ( 1.733 0.000 -6.339) 6.571 10.782 ( -3.072 0.000 -3.909) 4.972 11.483 ( -2.680 0.000 -8.416) 8.832 11.755 ( -3.605 0.000 -4.944) 6.118 12.016 ( 1.120 0.000 -5.926) 6.031 13.088 ( -2.539 0.000 -2.065) 3.273 13.161 ( -1.669 -0.000 5.555) 5.800 13.197 ( 2.906 0.000 -3.384) 4.461 14.220 ( 7.487 -0.000 7.101) 10.319 14.430 ( 4.941 0.000 -4.925) 6.977 14.466 ( -7.236 0.000 -14.310) 16.035 14.723 ( 2.247 0.000 -9.332) 9.598 14.770 ( -0.453 -0.000 3.078) 3.111 15.268 ( -1.816 0.000 -10.036) 10.199 16.415 ( 5.328 0.000 -0.130) 5.329 16.458 ( 3.240 0.000 -29.131) 29.311 17.149 ( -2.908 -0.000 12.474) 12.809 17.561 ( -7.118 -0.000 1.634) 7.303 18.460 ( -0.173 -0.000 8.122) 8.124 18.715 ( 0.701 -0.000 11.840) 11.860 ======================= Grid point 239 (132/148) ======================= q-point: (-0.54 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -0.000 2.243 -2.426) 3.304 2.705 ( -0.000 -1.623 -8.944) 9.090 3.138 ( -0.000 -3.858 -20.896) 21.249 3.351 ( 0.000 21.474 -4.349) 21.910 3.503 ( -0.000 10.954 -3.866) 11.616 3.947 ( 0.000 -8.760 5.430) 10.306 4.283 ( -0.000 -2.471 -0.584) 2.539 4.322 ( 0.000 5.180 -0.506) 5.205 4.515 ( -0.000 3.886 -2.951) 4.880 4.762 ( 0.000 -1.165 9.143) 9.217 5.166 ( -0.000 -7.829 -2.299) 8.159 5.463 ( -0.000 -17.866 -20.148) 26.929 5.801 ( -0.000 -8.586 -18.326) 20.238 6.151 ( -0.000 -18.008 4.262) 18.505 6.488 ( 0.000 19.145 15.766) 24.801 6.508 ( 0.000 -1.981 16.354) 16.474 7.406 ( -0.000 -4.700 0.429) 4.719 7.584 ( -0.000 14.594 -5.136) 15.471 8.130 ( 0.000 0.334 15.498) 15.502 8.748 ( -0.000 -3.499 -2.080) 4.071 9.738 ( 0.000 17.047 -1.130) 17.084 10.264 ( -0.000 10.238 -13.411) 16.872 10.619 ( -0.000 4.699 -7.704) 9.024 10.990 ( 0.000 21.826 -0.353) 21.829 11.576 ( -0.000 -27.514 -3.289) 27.710 11.871 ( 0.000 -0.268 2.373) 2.388 12.520 ( -0.000 -14.165 -5.538) 15.209 12.903 ( 0.000 8.469 5.685) 10.200 13.507 ( -0.000 -10.382 -8.218) 13.241 13.581 ( -0.000 -11.307 3.272) 11.771 14.073 ( 0.000 -3.820 5.001) 6.293 14.342 ( 0.000 12.800 3.592) 13.295 14.403 ( -0.000 4.923 -4.787) 6.867 14.620 ( 0.000 4.437 2.545) 5.115 14.871 ( -0.000 3.001 -8.881) 9.374 15.504 ( -0.000 2.686 -5.683) 6.286 16.223 ( -0.000 5.641 -11.401) 12.720 16.641 ( -0.000 5.948 -6.839) 9.064 17.396 ( -0.000 -11.224 -3.612) 11.791 17.906 ( -0.000 -11.313 0.813) 11.342 18.137 ( 0.000 1.176 18.538) 18.575 18.418 ( 0.000 5.780 2.851) 6.445 ======================= Grid point 240 (133/148) ======================= q-point: (-0.54 -0.29 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 15.176 0.854 -4.541) 15.863 2.747 ( 4.415 0.548 -10.607) 11.502 2.998 ( 0.915 -11.745 -16.249) 20.070 3.459 ( -3.059 -5.025 3.606) 6.900 3.671 ( -5.384 12.370 -10.504) 17.098 3.948 ( -3.306 6.680 -6.377) 9.809 4.205 ( -4.775 -0.673 1.018) 4.929 4.283 ( -9.317 5.288 3.583) 11.296 4.493 ( -9.853 -1.297 3.529) 10.546 4.699 ( -0.484 -4.157 6.246) 7.518 5.001 ( 5.730 -7.391 -13.026) 16.036 5.475 ( 12.890 -0.117 -12.931) 18.259 5.606 ( -1.264 -6.240 -16.445) 17.635 5.907 ( 8.496 -13.934 -1.414) 16.381 6.427 ( -5.237 -0.407 17.904) 18.659 6.774 ( -1.304 10.073 16.479) 19.358 7.562 ( 20.583 -1.873 0.883) 20.686 7.680 ( -2.279 -0.434 0.060) 2.320 8.280 ( 2.541 9.460 13.722) 16.860 8.690 ( -0.028 -2.264 -3.375) 4.064 9.975 ( -4.953 11.678 -2.487) 12.927 10.457 ( 0.189 8.090 -12.536) 14.921 10.713 ( 0.953 3.742 -5.539) 6.752 11.072 ( -2.474 -19.635 -3.094) 20.031 11.433 ( 0.537 16.794 -4.781) 17.469 11.836 ( -1.812 -1.451 -0.821) 2.462 12.236 ( -2.059 -10.778 -4.470) 11.849 13.002 ( -2.810 5.572 3.451) 7.131 13.254 ( -1.531 -13.962 2.652) 14.294 13.362 ( 0.642 -6.662 -5.149) 8.444 14.102 ( 8.130 -1.967 5.882) 10.226 14.420 ( -9.019 5.407 2.255) 10.755 14.524 ( 4.165 1.290 -3.736) 5.742 14.698 ( 0.097 1.501 2.702) 3.093 15.016 ( 1.748 8.219 -15.175) 17.346 15.467 ( -2.146 -4.268 -7.874) 9.210 16.376 ( 3.647 6.161 -5.346) 8.935 16.772 ( -0.337 6.915 0.532) 6.944 17.185 ( 0.793 -9.305 -15.269) 17.898 17.635 ( -6.297 -8.978 0.795) 10.995 18.171 ( 1.248 1.205 20.359) 20.433 18.511 ( 0.087 3.595 4.240) 5.560 ======================= Grid point 243 (134/148) ======================= q-point: (-0.54 -0.29 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -8.187 0.000 -10.881) 13.617 2.791 ( 17.110 0.000 -8.396) 19.059 2.900 ( 3.915 0.000 -10.589) 11.290 3.364 ( -1.804 -0.000 -0.396) 1.847 3.602 ( -11.399 0.000 -16.509) 20.062 3.797 ( -11.094 -0.000 -1.934) 11.261 4.062 ( -7.743 -0.000 4.678) 9.046 4.189 ( -3.175 0.000 -2.643) 4.131 4.456 ( -1.573 -0.000 12.463) 12.561 4.551 ( -0.863 -0.000 7.672) 7.720 5.071 ( 4.653 0.000 -10.556) 11.536 5.382 ( -7.126 -0.000 -4.247) 8.295 5.811 ( -3.982 0.000 -6.519) 7.639 5.986 ( 19.543 0.000 -14.961) 24.613 6.359 ( 4.030 -0.000 11.688) 12.363 6.836 ( -1.608 -0.000 16.129) 16.209 7.585 ( -4.569 -0.000 4.483) 6.401 8.143 ( 34.241 0.000 1.697) 34.283 8.457 ( 4.011 -0.000 6.112) 7.311 8.675 ( 0.876 0.000 -2.560) 2.706 9.980 ( -7.430 -0.000 -1.145) 7.517 10.547 ( -1.594 0.000 -11.931) 12.037 10.743 ( -6.176 -0.000 -2.122) 6.530 10.785 ( 0.908 0.000 -4.285) 4.380 11.527 ( -6.240 0.000 -5.359) 8.225 11.692 ( -11.073 -0.000 -2.810) 11.424 12.106 ( 1.435 0.000 -0.953) 1.723 13.057 ( -0.135 -0.000 2.216) 2.220 13.094 ( 1.046 0.000 -1.573) 1.889 13.252 ( -3.411 -0.000 0.339) 3.428 14.236 ( -12.997 -0.000 4.009) 13.602 14.309 ( 12.492 0.000 4.589) 13.308 14.562 ( -0.023 -0.000 1.430) 1.430 14.762 ( 5.235 0.000 -1.863) 5.557 15.165 ( 0.544 0.000 -20.155) 20.163 15.301 ( -5.241 -0.000 -2.523) 5.817 16.577 ( 7.155 0.000 -0.465) 7.171 16.826 ( -1.982 -0.000 12.147) 12.307 17.111 ( -1.229 0.000 -26.671) 26.699 17.345 ( -8.229 -0.000 -3.439) 8.919 18.223 ( 1.984 -0.000 18.757) 18.862 18.567 ( 1.572 -0.000 5.465) 5.687 ======================= Grid point 255 (135/148) ======================= q-point: ( 0.31 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 0.000 5.058 0.000) 5.058 2.854 ( -0.000 -3.349 -0.000) 3.349 2.898 ( 0.000 24.998 0.000) 24.998 3.205 ( 0.000 21.880 0.000) 21.880 3.372 ( 0.000 2.546 0.000) 2.546 4.036 ( -0.000 -5.093 -0.000) 5.093 4.239 ( 0.000 4.421 0.000) 4.421 4.345 ( -0.000 -1.499 -0.000) 1.499 4.566 ( -0.000 -6.744 -0.000) 6.744 4.660 ( 0.000 1.159 0.000) 1.159 5.268 ( -0.000 -1.006 -0.000) 1.006 5.638 ( 0.000 24.143 0.000) 24.143 6.154 ( 0.000 4.434 0.000) 4.434 6.222 ( -0.000 -9.379 -0.000) 9.379 6.385 ( -0.000 -13.762 -0.000) 13.762 6.512 ( -0.000 -26.760 -0.000) 26.760 7.197 ( 0.000 24.919 0.000) 24.919 7.526 ( -0.000 -7.035 -0.000) 7.035 8.161 ( -0.000 -13.126 -0.000) 13.126 8.833 ( -0.000 -3.519 -0.000) 3.519 9.357 ( 0.000 19.981 0.000) 19.981 10.246 ( 0.000 7.044 0.000) 7.044 10.488 ( 0.000 23.614 0.000) 23.614 10.612 ( 0.000 4.757 0.000) 4.757 11.789 ( 0.000 4.260 0.000) 4.260 12.172 ( -0.000 -26.077 -0.000) 26.077 12.638 ( 0.000 9.827 0.000) 9.827 12.835 ( -0.000 -10.689 -0.000) 10.689 13.668 ( 0.000 0.197 0.000) 0.197 13.856 ( -0.000 -14.637 -0.000) 14.637 13.947 ( 0.000 18.131 0.000) 18.131 14.147 ( -0.000 -4.453 -0.000) 4.453 14.289 ( 0.000 10.882 0.000) 10.882 14.509 ( 0.000 3.368 0.000) 3.368 14.921 ( -0.000 -2.877 -0.000) 2.877 15.395 ( 0.000 10.478 0.000) 10.478 16.421 ( 0.000 5.359 0.000) 5.359 16.476 ( 0.000 1.944 0.000) 1.944 17.646 ( -0.000 -3.143 -0.000) 3.143 17.902 ( -0.000 -3.291 -0.000) 3.291 18.125 ( -0.000 -10.946 -0.000) 10.946 18.285 ( 0.000 5.108 0.000) 5.108 ======================= Grid point 256 (136/148) ======================= q-point: ( 0.31 -0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 15.537 2.848 0.000) 15.796 2.875 ( 6.534 -1.343 0.000) 6.671 3.360 ( -2.395 1.982 -0.000) 3.109 3.407 ( 0.335 20.886 0.000) 20.889 3.494 ( -3.799 1.598 -0.000) 4.121 3.854 ( 1.067 -5.342 0.000) 5.447 4.158 ( -11.355 3.556 -0.000) 11.899 4.262 ( -3.945 -2.953 -0.000) 4.928 4.549 ( -9.044 -5.511 -0.000) 10.591 4.626 ( 4.043 1.780 0.000) 4.418 5.245 ( 3.264 -6.043 0.000) 6.868 5.828 ( 7.744 -8.651 0.000) 11.611 6.082 ( -0.369 -10.280 -0.000) 10.287 6.085 ( -0.055 -8.789 -0.000) 8.789 6.157 ( -2.401 -4.733 -0.000) 5.307 6.326 ( -0.044 14.286 0.000) 14.286 7.619 ( 19.698 -4.242 0.000) 20.149 7.761 ( 5.766 22.800 0.000) 23.518 7.856 ( -5.461 -10.343 -0.000) 11.696 8.783 ( 1.573 -3.897 0.000) 4.202 9.677 ( -6.394 18.231 -0.000) 19.320 10.420 ( 1.092 8.324 0.000) 8.395 10.672 ( -2.079 7.074 -0.000) 7.373 11.081 ( 8.328 19.947 0.000) 21.615 11.574 ( -3.199 -25.062 -0.000) 25.266 11.842 ( -1.208 -0.722 -0.000) 1.408 12.549 ( -2.134 -13.675 -0.000) 13.841 12.810 ( -3.179 8.062 -0.000) 8.666 13.484 ( -5.534 -9.144 -0.000) 10.689 13.604 ( 0.102 -11.378 -0.000) 11.379 14.106 ( 8.576 -4.327 0.000) 9.606 14.244 ( -5.565 9.048 -0.000) 10.622 14.471 ( 2.759 8.707 0.000) 9.134 14.664 ( 5.598 -1.020 0.000) 5.690 14.951 ( -0.627 7.819 0.000) 7.844 15.576 ( 1.548 3.631 0.000) 3.947 16.483 ( -1.333 2.175 -0.000) 2.552 16.512 ( -0.466 4.214 -0.000) 4.240 17.595 ( -0.094 -1.174 -0.000) 1.178 17.827 ( 0.329 -2.851 0.000) 2.870 17.850 ( -4.180 -12.008 -0.000) 12.715 18.387 ( -0.428 5.336 0.000) 5.353 ======================= Grid point 259 (137/148) ======================= q-point: ( 0.31 0.69 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 16.023 1.753 0.000) 16.118 2.969 ( -4.555 -5.698 -0.000) 7.295 3.115 ( 0.659 -10.921 -0.000) 10.941 3.341 ( -0.015 1.313 0.000) 1.314 3.726 ( -5.420 11.763 -0.000) 12.951 3.916 ( -10.571 -1.312 -0.000) 10.652 3.962 ( -12.627 -8.299 -0.000) 15.110 4.064 ( -0.689 12.810 0.000) 12.828 4.291 ( -2.975 -1.479 -0.000) 3.323 4.598 ( -1.829 -8.423 -0.000) 8.619 5.177 ( 0.593 -1.587 0.000) 1.694 5.560 ( -7.313 -11.020 -0.000) 13.225 5.867 ( -18.333 0.141 -0.000) 18.334 6.227 ( 19.952 -3.496 0.000) 20.256 6.254 ( 19.903 -0.852 0.000) 19.922 6.538 ( -3.309 8.745 -0.000) 9.350 7.577 ( -6.505 -4.043 -0.000) 7.659 8.122 ( 30.651 0.227 0.000) 30.652 8.278 ( 9.140 11.700 0.000) 14.847 8.739 ( 2.087 -3.908 0.000) 4.430 9.827 ( -9.944 14.013 -0.000) 17.183 10.576 ( -1.068 6.152 -0.000) 6.244 10.773 ( -0.726 5.467 -0.000) 5.515 11.019 ( -5.336 -20.675 -0.000) 21.352 11.493 ( 0.319 8.302 0.000) 8.308 11.723 ( -11.463 -0.167 -0.000) 11.465 12.234 ( -0.372 -11.437 -0.000) 11.443 12.914 ( -3.026 9.286 -0.000) 9.767 13.209 ( -0.081 -8.374 -0.000) 8.374 13.370 ( -3.421 -9.681 -0.000) 10.268 14.151 ( -12.532 3.640 -0.000) 13.050 14.283 ( 12.988 -2.035 0.000) 13.146 14.617 ( -0.529 -6.815 -0.000) 6.835 14.736 ( 7.275 5.138 0.000) 8.906 15.131 ( -3.088 11.443 -0.000) 11.852 15.534 ( -2.207 -6.725 -0.000) 7.077 16.563 ( -0.808 2.052 -0.000) 2.205 16.591 ( 3.004 7.300 0.000) 7.894 17.398 ( -12.313 -9.768 -0.000) 15.717 17.680 ( 4.650 -1.403 0.000) 4.857 17.833 ( 2.283 0.262 0.000) 2.298 18.482 ( 0.908 3.689 0.000) 3.799 ======================= Grid point 261 (138/148) ======================= q-point: ( 0.31 -0.31 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -18.843 -0.000 -0.000) 18.843 2.970 ( -9.574 -0.000 -0.000) 9.574 3.178 ( 2.359 0.000 0.000) 2.359 3.395 ( 2.207 0.000 0.000) 2.207 3.595 ( 2.609 0.000 0.000) 2.609 3.649 ( -10.722 -0.000 -0.000) 10.722 3.782 ( -6.969 -0.000 -0.000) 6.969 4.253 ( -1.350 -0.000 -0.000) 1.350 4.319 ( 5.640 0.000 0.000) 5.640 4.353 ( -4.344 -0.000 -0.000) 4.344 5.178 ( -2.346 -0.000 -0.000) 2.346 5.258 ( -9.737 -0.000 -0.000) 9.737 5.402 ( -23.633 -0.000 -0.000) 23.633 6.522 ( -6.510 -0.000 -0.000) 6.510 6.668 ( 23.130 0.000 0.000) 23.130 6.693 ( 21.649 0.000 0.000) 21.649 7.440 ( -3.100 -0.000 -0.000) 3.100 8.505 ( 2.333 0.000 0.000) 2.333 8.743 ( 4.362 0.000 0.000) 4.362 8.871 ( 35.903 0.000 0.000) 35.903 9.783 ( -10.645 -0.000 -0.000) 10.645 10.576 ( -13.934 -0.000 -0.000) 13.934 10.593 ( -4.292 -0.000 -0.000) 4.292 10.824 ( -1.266 -0.000 -0.000) 1.266 11.395 ( -16.089 -0.000 -0.000) 16.089 11.442 ( -7.107 -0.000 -0.000) 7.107 12.134 ( 0.344 0.000 0.000) 0.344 13.029 ( -13.320 -0.000 -0.000) 13.320 13.075 ( 3.097 0.000 0.000) 3.097 13.201 ( 4.640 0.000 0.000) 4.640 13.900 ( -14.136 -0.000 -0.000) 14.136 14.470 ( -4.021 -0.000 -0.000) 4.021 14.518 ( 8.598 0.000 0.000) 8.598 14.965 ( 9.346 0.000 0.000) 9.346 15.216 ( -2.643 -0.000 -0.000) 2.643 15.336 ( -4.243 -0.000 -0.000) 4.243 16.563 ( -0.998 -0.000 -0.000) 0.998 16.850 ( 8.982 0.000 0.000) 8.982 16.883 ( -21.939 -0.000 -0.000) 21.939 17.803 ( 7.437 0.000 0.000) 7.437 17.885 ( 1.222 0.000 0.000) 1.222 18.559 ( 2.394 0.000 0.000) 2.394 ======================= Grid point 273 (139/148) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -0.000 0.000 -14.685) 14.685 2.460 ( -0.000 0.000 -24.356) 24.356 2.530 ( -0.000 0.000 -7.228) 7.228 3.478 ( 0.000 -0.000 0.231) 0.231 3.611 ( -0.000 0.000 -15.136) 15.136 3.881 ( -0.000 0.000 -15.061) 15.061 4.108 ( -0.000 0.000 -30.540) 30.540 4.363 ( 0.000 -0.000 2.318) 2.318 4.639 ( 0.000 -0.000 5.691) 5.691 4.756 ( 0.000 -0.000 1.949) 1.949 4.777 ( 0.000 -0.000 9.876) 9.876 5.034 ( -0.000 0.000 -15.535) 15.535 5.211 ( -0.000 0.000 -17.596) 17.596 5.643 ( 0.000 -0.000 0.516) 0.516 6.814 ( 0.000 -0.000 16.152) 16.152 7.261 ( 0.000 -0.000 19.876) 19.876 7.337 ( 0.000 -0.000 1.750) 1.750 7.807 ( 0.000 -0.000 7.980) 7.980 8.575 ( -0.000 0.000 -6.126) 6.126 8.676 ( 0.000 -0.000 18.090) 18.090 9.997 ( -0.000 0.000 -9.965) 9.965 10.217 ( -0.000 0.000 -21.665) 21.665 10.625 ( -0.000 0.000 -6.359) 6.359 10.814 ( -0.000 0.000 -3.947) 3.947 11.512 ( -0.000 0.000 -8.929) 8.929 11.782 ( -0.000 0.000 -3.146) 3.146 12.012 ( -0.000 0.000 -8.465) 8.465 13.126 ( -0.000 0.000 -8.364) 8.364 13.157 ( 0.000 -0.000 3.684) 3.684 13.180 ( 0.000 -0.000 5.958) 5.958 14.133 ( 0.000 -0.000 7.125) 7.125 14.378 ( -0.000 0.000 -6.308) 6.308 14.558 ( -0.000 0.000 -30.280) 30.280 14.684 ( 0.000 -0.000 5.102) 5.102 14.777 ( 0.000 -0.000 2.553) 2.553 15.287 ( -0.000 0.000 -11.678) 11.678 16.358 ( 0.000 -0.000 0.130) 0.130 16.423 ( -0.000 0.000 -28.893) 28.893 17.180 ( 0.000 -0.000 12.803) 12.803 17.636 ( 0.000 -0.000 1.597) 1.597 18.461 ( 0.000 -0.000 8.928) 8.928 18.709 ( 0.000 -0.000 12.097) 12.097 ======================= Grid point 290 (140/148) ======================= q-point: (-0.48 -0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -0.000 1.115 -4.305) 4.447 2.684 ( -0.000 -0.505 -7.740) 7.756 2.993 ( -0.000 -9.840 -19.869) 22.172 3.493 ( 0.000 -6.455 4.605) 7.929 3.728 ( -0.000 15.002 -9.512) 17.763 3.974 ( -0.000 9.224 -4.660) 10.334 4.252 ( -0.000 0.270 -0.328) 0.425 4.428 ( 0.000 5.552 2.148) 5.953 4.649 ( 0.000 4.741 1.852) 5.090 4.697 ( 0.000 -5.431 9.357) 10.819 4.895 ( -0.000 -13.809 -19.279) 23.714 5.299 ( -0.000 -0.240 -14.281) 14.283 5.633 ( -0.000 -6.964 -18.120) 19.412 5.805 ( -0.000 -16.503 3.692) 16.911 6.489 ( 0.000 -0.256 16.926) 16.928 6.789 ( 0.000 10.410 16.733) 19.707 7.335 ( 0.000 -2.408 0.874) 2.562 7.706 ( -0.000 0.719 -0.988) 1.222 8.256 ( 0.000 8.534 15.885) 18.032 8.691 ( -0.000 -2.140 -3.071) 3.743 10.028 ( -0.000 11.067 -3.871) 11.724 10.454 ( -0.000 8.749 -12.567) 15.313 10.699 ( -0.000 3.127 -5.623) 6.434 11.099 ( -0.000 -19.266 -3.584) 19.597 11.427 ( 0.000 20.035 -4.742) 20.589 11.844 ( -0.000 -2.006 -0.091) 2.008 12.265 ( -0.000 -9.999 -5.778) 11.548 13.032 ( 0.000 4.394 4.564) 6.335 13.279 ( -0.000 -16.301 4.105) 16.810 13.347 ( -0.000 -5.434 -8.235) 9.867 14.015 ( 0.000 -1.943 6.283) 6.577 14.469 ( -0.000 1.891 -4.795) 5.154 14.536 ( 0.000 6.499 3.327) 7.301 14.697 ( 0.000 2.920 2.323) 3.731 14.986 ( -0.000 7.077 -16.151) 17.634 15.489 ( -0.000 -3.328 -7.130) 7.868 16.337 ( -0.000 5.239 -6.640) 8.458 16.774 ( 0.000 7.231 -1.926) 7.483 17.177 ( -0.000 -10.321 -12.517) 16.223 17.702 ( -0.000 -8.281 0.883) 8.328 18.157 ( 0.000 0.803 21.008) 21.024 18.511 ( 0.000 3.328 4.165) 5.332 ======================= Grid point 293 (141/148) ======================= q-point: (-0.48 -0.35 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 14.928 0.000 -5.462) 15.896 2.764 ( 7.058 0.000 -8.296) 10.893 2.840 ( -2.739 0.000 -15.923) 16.157 3.405 ( -1.785 -0.000 3.633) 4.048 3.810 ( -7.532 0.000 -15.132) 16.903 4.015 ( -7.361 0.000 -10.107) 12.503 4.236 ( -7.280 -0.000 3.679) 8.156 4.333 ( -10.917 -0.000 -1.502) 11.020 4.499 ( -3.625 -0.000 10.308) 10.927 4.581 ( -1.447 -0.000 7.336) 7.477 4.950 ( 7.327 0.000 -17.637) 19.098 5.491 ( -3.757 0.000 -7.281) 8.193 5.579 ( 17.783 0.000 -14.403) 22.884 5.706 ( 8.675 0.000 -6.633) 10.920 6.424 ( -5.511 -0.000 18.061) 18.883 6.876 ( -1.624 -0.000 16.649) 16.728 7.543 ( 21.476 0.000 1.155) 21.507 7.672 ( -3.244 -0.000 3.002) 4.420 8.380 ( 2.715 -0.000 12.039) 12.341 8.669 ( 0.074 0.000 -3.426) 3.426 10.102 ( -4.100 0.000 -3.982) 5.715 10.568 ( -0.601 0.000 -13.642) 13.655 10.754 ( 1.694 0.000 -4.437) 4.750 10.837 ( -3.080 -0.000 -1.880) 3.609 11.628 ( -3.393 0.000 -5.991) 6.885 11.818 ( -1.248 0.000 -1.933) 2.301 12.121 ( -2.736 0.000 -4.332) 5.124 13.069 ( -0.707 -0.000 3.702) 3.769 13.076 ( 0.284 -0.000 2.080) 2.099 13.293 ( -0.481 0.000 -5.533) 5.554 14.082 ( 8.131 -0.000 6.314) 10.295 14.482 ( -9.940 -0.000 2.988) 10.380 14.523 ( 2.955 0.000 -3.797) 4.811 14.718 ( -0.328 -0.000 1.938) 1.966 15.124 ( 3.043 0.000 -21.188) 21.406 15.397 ( -3.488 0.000 -3.933) 5.257 16.447 ( 4.649 0.000 -3.740) 5.967 16.871 ( -1.766 -0.000 15.825) 15.924 17.062 ( 2.862 0.000 -32.315) 32.442 17.536 ( -7.162 -0.000 0.881) 7.216 18.184 ( 1.593 -0.000 21.040) 21.100 18.548 ( 0.358 -0.000 4.808) 4.821 ======================= Grid point 306 (142/148) ======================= q-point: ( 0.38 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 0.000 3.126 0.000) 3.126 2.796 ( -0.000 -2.256 -0.000) 2.256 3.394 ( -0.000 -0.349 -0.000) 0.349 3.396 ( 0.000 23.993 0.000) 23.993 3.532 ( 0.000 4.829 0.000) 4.829 3.844 ( -0.000 -7.414 -0.000) 7.414 4.306 ( -0.000 -1.995 -0.000) 1.995 4.336 ( 0.000 4.784 0.000) 4.784 4.535 ( 0.000 3.856 0.000) 3.856 4.659 ( -0.000 -1.603 -0.000) 1.603 5.203 ( -0.000 -5.625 -0.000) 5.625 5.712 ( -0.000 -11.193 -0.000) 11.193 6.050 ( -0.000 -19.325 -0.000) 19.325 6.108 ( -0.000 -13.381 -0.000) 13.381 6.221 ( 0.000 2.376 0.000) 2.376 6.325 ( 0.000 16.339 0.000) 16.339 7.402 ( -0.000 -5.096 -0.000) 5.096 7.699 ( 0.000 22.930 0.000) 22.930 7.915 ( -0.000 -10.839 -0.000) 10.839 8.769 ( -0.000 -2.889 -0.000) 2.889 9.748 ( 0.000 18.478 0.000) 18.478 10.405 ( 0.000 8.567 0.000) 8.567 10.699 ( 0.000 3.725 0.000) 3.725 10.985 ( 0.000 25.578 0.000) 25.578 11.611 ( -0.000 -27.184 -0.000) 27.184 11.845 ( 0.000 1.261 0.000) 1.261 12.576 ( -0.000 -14.134 -0.000) 14.134 12.845 ( 0.000 9.069 0.000) 9.069 13.548 ( -0.000 -12.182 -0.000) 12.182 13.602 ( -0.000 -10.500 -0.000) 10.500 14.009 ( -0.000 -4.170 -0.000) 4.170 14.308 ( 0.000 12.804 0.000) 12.804 14.451 ( 0.000 5.436 0.000) 5.436 14.593 ( 0.000 4.558 0.000) 4.558 14.951 ( 0.000 6.259 0.000) 6.259 15.559 ( 0.000 4.934 0.000) 4.934 16.499 ( 0.000 0.846 0.000) 0.846 16.517 ( 0.000 4.089 0.000) 4.089 17.595 ( -0.000 -1.871 -0.000) 1.871 17.823 ( -0.000 -3.938 -0.000) 3.938 17.898 ( -0.000 -11.382 -0.000) 11.382 18.392 ( 0.000 5.075 0.000) 5.075 ======================= Grid point 309 (143/148) ======================= q-point: ( 0.37 0.62 -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 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 15.191 1.623 0.000) 15.278 2.857 ( 7.791 -0.438 0.000) 7.803 3.218 ( -4.834 -17.729 -0.000) 18.377 3.357 ( -0.838 -0.827 -0.000) 1.177 3.806 ( -2.351 17.074 -0.000) 17.235 4.015 ( -0.652 13.362 0.000) 13.378 4.200 ( -7.691 -3.123 -0.000) 8.301 4.234 ( -12.754 3.978 -0.000) 13.360 4.434 ( -10.361 -5.495 -0.000) 11.727 4.616 ( 0.392 -5.825 -0.000) 5.838 5.150 ( 2.115 -0.938 0.000) 2.314 5.614 ( 4.328 -9.731 0.000) 10.650 5.863 ( 13.136 -9.570 0.000) 16.252 5.929 ( 8.140 -4.812 0.000) 9.456 6.159 ( -9.067 0.625 -0.000) 9.089 6.588 ( -1.523 9.626 -0.000) 9.745 7.554 ( 20.911 -2.175 0.000) 21.023 7.699 ( -4.621 -5.159 -0.000) 6.926 8.123 ( 5.462 12.642 0.000) 13.772 8.723 ( 0.256 -2.004 0.000) 2.021 9.998 ( -6.097 12.881 -0.000) 14.251 10.583 ( 0.192 7.824 0.000) 7.827 10.769 ( 0.801 3.007 0.000) 3.112 11.105 ( -2.982 -19.657 -0.000) 19.882 11.480 ( 0.608 17.990 0.000) 18.001 11.843 ( -1.163 -0.316 -0.000) 1.205 12.281 ( -3.387 -10.909 -0.000) 11.422 12.965 ( -1.801 6.165 -0.000) 6.422 13.224 ( -1.003 -14.180 -0.000) 14.215 13.424 ( -1.728 -6.467 -0.000) 6.693 14.037 ( 8.908 -2.410 0.000) 9.228 14.392 ( -9.463 5.515 -0.000) 10.952 14.565 ( 4.127 0.524 0.000) 4.160 14.670 ( 0.022 2.218 0.000) 2.218 15.157 ( 0.663 11.624 0.000) 11.643 15.562 ( -0.715 -4.910 -0.000) 4.962 16.541 ( 1.453 3.382 0.000) 3.681 16.576 ( -0.407 2.107 -0.000) 2.146 17.575 ( -1.757 -1.693 -0.000) 2.440 17.639 ( -2.971 -7.646 -0.000) 8.203 17.783 ( 2.107 -1.484 0.000) 2.577 18.474 ( 0.053 3.125 0.000) 3.126 ======================= Grid point 311 (144/148) ======================= q-point: ( 0.37 0.62 -0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 16.780 0.000 0.000) 16.780 2.840 ( -12.011 -0.000 -0.000) 12.011 3.053 ( 8.934 0.000 0.000) 8.934 3.358 ( 1.152 0.000 0.000) 1.152 3.800 ( -17.570 -0.000 -0.000) 17.570 3.904 ( -13.723 -0.000 -0.000) 13.723 3.924 ( -6.006 -0.000 -0.000) 6.006 4.276 ( -1.338 -0.000 -0.000) 1.338 4.291 ( -2.203 -0.000 -0.000) 2.203 4.408 ( -1.778 -0.000 -0.000) 1.778 5.178 ( 0.625 0.000 0.000) 0.625 5.439 ( -7.024 -0.000 -0.000) 7.024 5.869 ( -18.954 -0.000 -0.000) 18.954 6.186 ( 22.757 0.000 0.000) 22.757 6.245 ( 20.803 0.000 0.000) 20.803 6.628 ( -3.830 -0.000 -0.000) 3.830 7.538 ( -5.678 -0.000 -0.000) 5.678 8.126 ( 33.960 0.000 0.000) 33.960 8.387 ( 7.347 0.000 0.000) 7.347 8.707 ( 0.264 0.000 0.000) 0.264 9.990 ( -8.899 -0.000 -0.000) 8.899 10.667 ( -2.734 -0.000 -0.000) 2.734 10.763 ( -5.849 -0.000 -0.000) 5.849 10.829 ( 0.836 0.000 0.000) 0.836 11.584 ( -6.234 -0.000 -0.000) 6.234 11.718 ( -12.204 -0.000 -0.000) 12.204 12.113 ( 0.446 0.000 0.000) 0.446 13.036 ( 0.775 0.000 0.000) 0.775 13.109 ( 3.828 0.000 0.000) 3.828 13.247 ( -7.670 -0.000 -0.000) 7.670 14.193 ( -13.682 -0.000 -0.000) 13.682 14.261 ( 13.752 0.000 0.000) 13.752 14.544 ( -2.830 -0.000 -0.000) 2.830 14.787 ( 7.211 0.000 0.000) 7.211 15.323 ( -6.145 -0.000 -0.000) 6.145 15.387 ( -0.343 -0.000 -0.000) 0.343 16.583 ( -0.836 -0.000 -0.000) 0.836 16.684 ( 6.588 0.000 0.000) 6.588 17.277 ( -15.489 -0.000 -0.000) 15.489 17.671 ( 5.146 0.000 0.000) 5.146 17.837 ( 3.191 0.000 0.000) 3.191 18.520 ( 1.246 0.000 0.000) 1.246 ======================= Grid point 343 (145/148) ======================= q-point: (-0.42 -0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -0.000 0.000 -5.139) 5.139 2.680 ( -0.000 0.000 -7.182) 7.182 2.866 ( -0.000 0.000 -17.453) 17.453 3.425 ( 0.000 -0.000 4.825) 4.825 3.891 ( -0.000 0.000 -13.309) 13.309 4.086 ( -0.000 0.000 -11.267) 11.267 4.306 ( 0.000 -0.000 2.897) 2.897 4.539 ( 0.000 -0.000 4.200) 4.200 4.576 ( 0.000 -0.000 2.123) 2.123 4.578 ( 0.000 -0.000 10.352) 10.352 4.820 ( -0.000 0.000 -23.012) 23.012 5.357 ( -0.000 0.000 -15.976) 15.976 5.559 ( -0.000 0.000 -17.857) 17.857 5.574 ( 0.000 -0.000 7.047) 7.047 6.488 ( 0.000 -0.000 17.037) 17.037 6.894 ( 0.000 -0.000 16.937) 16.937 7.311 ( 0.000 -0.000 0.941) 0.941 7.706 ( 0.000 -0.000 2.296) 2.296 8.352 ( 0.000 -0.000 14.366) 14.366 8.668 ( -0.000 0.000 -3.420) 3.420 10.145 ( -0.000 0.000 -5.213) 5.213 10.574 ( -0.000 0.000 -14.211) 14.211 10.733 ( -0.000 0.000 -4.406) 4.406 10.870 ( -0.000 0.000 -1.944) 1.944 11.664 ( -0.000 0.000 -6.227) 6.227 11.818 ( -0.000 0.000 -0.988) 0.988 12.160 ( -0.000 0.000 -6.010) 6.010 13.076 ( 0.000 -0.000 4.022) 4.022 13.078 ( 0.000 -0.000 4.272) 4.272 13.293 ( -0.000 0.000 -8.219) 8.219 13.995 ( 0.000 -0.000 6.784) 6.784 14.487 ( -0.000 0.000 -4.448) 4.448 14.601 ( 0.000 -0.000 3.319) 3.319 14.728 ( 0.000 -0.000 2.180) 2.180 15.078 ( -0.000 0.000 -21.863) 21.863 15.435 ( -0.000 0.000 -4.452) 4.452 16.397 ( -0.000 0.000 -4.948) 4.948 16.890 ( 0.000 -0.000 16.782) 16.782 17.029 ( -0.000 0.000 -32.735) 32.735 17.612 ( 0.000 -0.000 0.895) 0.895 18.166 ( 0.000 -0.000 21.836) 21.836 18.545 ( 0.000 -0.000 4.657) 4.657 ======================= Grid point 360 (146/148) ======================= q-point: ( 0.44 0.56 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 0.000 1.799 0.000) 1.799 2.765 ( -0.000 -0.926 -0.000) 0.926 3.268 ( -0.000 -17.711 -0.000) 17.711 3.367 ( -0.000 -1.821 -0.000) 1.821 3.829 ( 0.000 18.499 0.000) 18.499 4.020 ( 0.000 15.533 0.000) 15.533 4.274 ( -0.000 -1.122 -0.000) 1.122 4.415 ( 0.000 2.921 0.000) 2.921 4.586 ( -0.000 -5.576 -0.000) 5.576 4.590 ( -0.000 -2.754 -0.000) 2.754 5.114 ( 0.000 0.015 0.000) 0.015 5.502 ( -0.000 -7.841 -0.000) 7.841 5.720 ( -0.000 -14.123 -0.000) 14.123 5.880 ( -0.000 -8.530 -0.000) 8.530 6.254 ( 0.000 0.981 0.000) 0.981 6.604 ( 0.000 9.941 0.000) 9.941 7.326 ( -0.000 -2.513 -0.000) 2.513 7.750 ( -0.000 -5.455 -0.000) 5.455 8.064 ( 0.000 12.892 0.000) 12.892 8.721 ( -0.000 -1.806 -0.000) 1.806 10.065 ( 0.000 12.247 0.000) 12.247 10.578 ( 0.000 8.682 0.000) 8.682 10.757 ( 0.000 2.035 0.000) 2.035 11.138 ( -0.000 -19.388 -0.000) 19.388 11.473 ( 0.000 21.647 0.000) 21.647 11.844 ( -0.000 -1.062 -0.000) 1.062 12.323 ( -0.000 -9.834 -0.000) 9.834 12.985 ( 0.000 4.817 0.000) 4.817 13.237 ( -0.000 -16.474 -0.000) 16.474 13.442 ( -0.000 -5.424 -0.000) 5.424 13.940 ( -0.000 -2.426 -0.000) 2.426 14.502 ( 0.000 6.511 0.000) 6.511 14.518 ( 0.000 1.630 0.000) 1.630 14.673 ( 0.000 3.054 0.000) 3.054 15.138 ( 0.000 11.125 0.000) 11.125 15.570 ( -0.000 -3.769 -0.000) 3.769 16.528 ( 0.000 2.042 0.000) 2.042 16.580 ( 0.000 2.149 0.000) 2.149 17.570 ( -0.000 -0.665 -0.000) 0.665 17.693 ( -0.000 -8.304 -0.000) 8.304 17.759 ( -0.000 -2.296 -0.000) 2.296 18.474 ( 0.000 2.915 0.000) 2.915 ======================= Grid point 362 (147/148) ======================= q-point: ( 0.44 0.56 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 15.055 0.000 0.000) 15.055 2.855 ( 8.572 0.000 0.000) 8.572 3.017 ( -5.230 -0.000 -0.000) 5.230 3.346 ( 0.191 0.000 0.000) 0.191 4.020 ( -3.122 -0.000 -0.000) 3.122 4.148 ( -12.567 -0.000 -0.000) 12.567 4.182 ( -10.562 -0.000 -0.000) 10.562 4.352 ( -4.528 -0.000 -0.000) 4.528 4.363 ( -7.300 -0.000 -0.000) 7.300 4.437 ( -1.019 -0.000 -0.000) 1.019 5.171 ( 0.040 0.000 0.000) 0.040 5.506 ( 2.148 0.000 0.000) 2.148 5.751 ( 17.740 0.000 0.000) 17.740 5.883 ( 11.395 0.000 0.000) 11.395 6.166 ( -9.447 -0.000 -0.000) 9.447 6.685 ( -1.781 -0.000 -0.000) 1.781 7.532 ( 21.285 0.000 0.000) 21.285 7.649 ( -4.307 -0.000 -0.000) 4.307 8.250 ( 5.057 0.000 0.000) 5.057 8.704 ( 0.169 0.000 0.000) 0.169 10.140 ( -5.153 -0.000 -0.000) 5.153 10.707 ( -1.163 -0.000 -0.000) 1.163 10.798 ( 1.675 0.000 0.000) 1.675 10.855 ( -3.111 -0.000 -0.000) 3.111 11.689 ( -3.599 -0.000 -0.000) 3.599 11.836 ( -0.329 -0.000 -0.000) 0.329 12.165 ( -4.456 -0.000 -0.000) 4.456 13.032 ( -0.098 -0.000 -0.000) 0.098 13.050 ( 1.812 0.000 0.000) 1.812 13.356 ( -3.129 -0.000 -0.000) 3.129 14.013 ( 8.987 0.000 0.000) 8.987 14.449 ( -10.143 -0.000 -0.000) 10.143 14.560 ( 1.592 0.000 0.000) 1.592 14.701 ( 0.686 0.000 0.000) 0.686 15.352 ( 3.105 0.000 0.000) 3.105 15.433 ( -3.932 -0.000 -0.000) 3.932 16.584 ( 2.930 0.000 0.000) 2.930 16.597 ( -0.466 -0.000 -0.000) 0.466 17.520 ( -7.779 -0.000 -0.000) 7.779 17.591 ( 2.440 0.000 0.000) 2.440 17.768 ( 2.868 0.000 0.000) 2.868 18.506 ( 0.264 0.000 0.000) 0.264 ======================= Grid point 412 (148/148) ======================= q-point: ( 0.50 0.50 -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 3.34e-04 3.34e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -0.000 0.000 -0.000) 0.000 2.756 ( -0.000 0.000 -0.000) 0.000 3.070 ( -0.000 0.000 -0.000) 0.000 3.344 ( -0.000 0.000 -0.000) 0.000 4.052 ( -0.000 0.000 -0.000) 0.000 4.262 ( -0.000 0.000 -0.000) 0.000 4.275 ( -0.000 0.000 -0.000) 0.000 4.445 ( -0.000 0.000 -0.000) 0.000 4.448 ( -0.000 0.000 -0.000) 0.000 4.496 ( -0.000 0.000 -0.000) 0.000 5.172 ( 0.000 -0.000 0.000) 0.000 5.422 ( -0.000 0.000 -0.000) 0.000 5.539 ( -0.000 0.000 -0.000) 0.000 5.792 ( -0.000 0.000 -0.000) 0.000 6.263 ( -0.000 0.000 -0.000) 0.000 6.704 ( -0.000 0.000 -0.000) 0.000 7.301 ( -0.000 0.000 -0.000) 0.000 7.696 ( -0.000 0.000 -0.000) 0.000 8.195 ( -0.000 0.000 -0.000) 0.000 8.702 ( -0.000 0.000 -0.000) 0.000 10.195 ( -0.000 0.000 -0.000) 0.000 10.718 ( -0.000 0.000 -0.000) 0.000 10.778 ( -0.000 0.000 -0.000) 0.000 10.889 ( -0.000 0.000 -0.000) 0.000 11.728 ( -0.000 0.000 -0.000) 0.000 11.827 ( -0.000 0.000 -0.000) 0.000 12.221 ( -0.000 0.000 -0.000) 0.000 13.032 ( -0.000 0.000 -0.000) 0.000 13.033 ( -0.000 0.000 -0.000) 0.000 13.388 ( -0.000 0.000 -0.000) 0.000 13.916 ( -0.000 0.000 -0.000) 0.000 14.532 ( -0.000 0.000 -0.000) 0.000 14.567 ( -0.000 0.000 -0.000) 0.000 14.705 ( -0.000 0.000 -0.000) 0.000 15.307 ( -0.000 0.000 -0.000) 0.000 15.476 ( -0.000 0.000 -0.000) 0.000 16.556 ( 0.000 -0.000 0.000) 0.000 16.602 ( -0.000 0.000 -0.000) 0.000 17.564 ( 0.000 -0.000 0.000) 0.000 17.603 ( -0.000 0.000 -0.000) 0.000 17.736 ( -0.000 0.000 -0.000) 0.000 18.504 ( -0.000 0.000 -0.000) 0.000 =================== 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 3/32256 10.0 1538.434 1695.525 1449.378 -0.000 0.000 0.000 3/32256 20.0 822.050 796.519 977.410 -0.000 0.000 0.000 3/32256 30.0 409.168 449.687 407.214 -0.000 0.000 0.000 3/32256 40.0 239.153 284.904 227.434 -0.000 0.000 0.000 3/32256 50.0 157.390 194.491 148.052 -0.000 0.000 0.000 3/32256 60.0 112.756 141.986 105.735 -0.000 0.000 0.000 3/32256 70.0 85.620 109.064 80.238 -0.000 0.000 0.000 3/32256 80.0 67.795 87.017 63.553 -0.000 0.000 0.000 3/32256 90.0 55.415 71.489 51.983 -0.000 0.000 0.000 3/32256 100.0 46.452 60.124 43.607 -0.000 0.000 0.000 3/32256 110.0 39.743 51.548 37.337 -0.000 0.000 0.000 3/32256 120.0 34.582 44.913 32.512 -0.000 0.000 0.000 3/32256 130.0 30.522 39.671 28.714 -0.000 0.000 0.000 3/32256 140.0 27.263 35.451 25.664 -0.000 0.000 0.000 3/32256 150.0 24.602 32.000 23.173 -0.000 0.000 0.000 3/32256 160.0 22.396 29.138 21.108 -0.000 0.000 0.000 3/32256 170.0 20.544 26.732 19.373 -0.000 0.000 0.000 3/32256 180.0 18.970 24.687 17.899 -0.000 0.000 0.000 3/32256 190.0 17.618 22.930 16.632 -0.000 0.000 0.000 3/32256 200.0 16.445 21.407 15.533 -0.000 0.000 0.000 3/32256 210.0 15.420 20.076 14.571 -0.000 0.000 0.000 3/32256 220.0 14.516 18.903 13.724 -0.000 0.000 0.000 3/32256 230.0 13.714 17.862 12.971 -0.000 0.000 0.000 3/32256 240.0 12.998 16.932 12.299 -0.000 0.000 0.000 3/32256 250.0 12.354 16.097 11.695 -0.000 0.000 0.000 3/32256 260.0 11.773 15.342 11.149 -0.000 0.000 0.000 3/32256 270.0 11.246 14.658 10.653 -0.000 0.000 0.000 3/32256 280.0 10.765 14.034 10.201 -0.000 0.000 0.000 3/32256 290.0 10.325 13.462 9.787 -0.000 0.000 0.000 3/32256 300.0 9.920 12.938 9.406 -0.000 0.000 0.000 3/32256 310.0 9.547 12.454 9.055 -0.000 0.000 0.000 3/32256 320.0 9.202 12.006 8.731 -0.000 0.000 0.000 3/32256 330.0 8.882 11.590 8.429 -0.000 0.000 0.000 3/32256 340.0 8.584 11.204 8.148 -0.000 0.000 0.000 3/32256 350.0 8.306 10.843 7.886 -0.000 0.000 0.000 3/32256 360.0 8.047 10.505 7.641 -0.000 0.000 0.000 3/32256 370.0 7.803 10.189 7.412 -0.000 0.000 0.000 3/32256 380.0 7.574 9.892 7.196 -0.000 0.000 0.000 3/32256 390.0 7.359 9.612 6.993 -0.000 0.000 0.000 3/32256 400.0 7.156 9.348 6.801 -0.000 0.000 0.000 3/32256 410.0 6.964 9.099 6.620 -0.000 0.000 0.000 3/32256 420.0 6.783 8.863 6.448 -0.000 0.000 0.000 3/32256 430.0 6.611 8.640 6.286 -0.000 0.000 0.000 3/32256 440.0 6.448 8.428 6.132 -0.000 0.000 0.000 3/32256 450.0 6.293 8.226 5.985 -0.000 0.000 0.000 3/32256 460.0 6.145 8.034 5.845 -0.000 0.000 0.000 3/32256 470.0 6.005 7.851 5.712 -0.000 0.000 0.000 3/32256 480.0 5.871 7.676 5.585 -0.000 0.000 0.000 3/32256 490.0 5.743 7.510 5.464 -0.000 0.000 0.000 3/32256 500.0 5.620 7.350 5.348 -0.000 0.000 0.000 3/32256 510.0 5.503 7.198 5.237 -0.000 0.000 0.000 3/32256 520.0 5.391 7.051 5.131 -0.000 0.000 0.000 3/32256 530.0 5.283 6.911 5.029 -0.000 0.000 0.000 3/32256 540.0 5.180 6.776 4.931 -0.000 0.000 0.000 3/32256 550.0 5.080 6.647 4.836 -0.000 0.000 0.000 3/32256 560.0 4.985 6.522 4.746 -0.000 0.000 0.000 3/32256 570.0 4.893 6.403 4.659 -0.000 0.000 0.000 3/32256 580.0 4.804 6.287 4.575 -0.000 0.000 0.000 3/32256 590.0 4.719 6.176 4.494 -0.000 0.000 0.000 3/32256 600.0 4.637 6.069 4.416 -0.000 0.000 0.000 3/32256 610.0 4.557 5.965 4.341 -0.000 0.000 0.000 3/32256 620.0 4.481 5.865 4.268 -0.000 0.000 0.000 3/32256 630.0 4.407 5.769 4.198 -0.000 0.000 0.000 3/32256 640.0 4.335 5.675 4.130 -0.000 0.000 0.000 3/32256 650.0 4.266 5.585 4.064 -0.000 0.000 0.000 3/32256 660.0 4.199 5.497 4.000 -0.000 0.000 0.000 3/32256 670.0 4.134 5.413 3.938 -0.000 0.000 0.000 3/32256 680.0 4.071 5.331 3.879 -0.000 0.000 0.000 3/32256 690.0 4.010 5.251 3.821 -0.000 0.000 0.000 3/32256 700.0 3.951 5.174 3.764 -0.000 0.000 0.000 3/32256 710.0 3.893 5.099 3.710 -0.000 0.000 0.000 3/32256 720.0 3.838 5.026 3.657 -0.000 0.000 0.000 3/32256 730.0 3.784 4.955 3.605 -0.000 0.000 0.000 3/32256 740.0 3.731 4.887 3.555 -0.000 0.000 0.000 3/32256 750.0 3.680 4.820 3.507 -0.000 0.000 0.000 3/32256 760.0 3.630 4.755 3.460 -0.000 0.000 0.000 3/32256 770.0 3.582 4.692 3.414 -0.000 0.000 0.000 3/32256 780.0 3.535 4.630 3.369 -0.000 0.000 0.000 3/32256 790.0 3.489 4.570 3.325 -0.000 0.000 0.000 3/32256 800.0 3.444 4.512 3.283 -0.000 0.000 0.000 3/32256 810.0 3.400 4.455 3.241 -0.000 0.000 0.000 3/32256 820.0 3.358 4.399 3.201 -0.000 0.000 0.000 3/32256 830.0 3.317 4.345 3.161 -0.000 0.000 0.000 3/32256 840.0 3.276 4.293 3.123 -0.000 0.000 0.000 3/32256 850.0 3.237 4.241 3.086 -0.000 0.000 0.000 3/32256 860.0 3.198 4.191 3.049 -0.000 0.000 0.000 3/32256 870.0 3.161 4.142 3.013 -0.000 0.000 0.000 3/32256 880.0 3.124 4.094 2.979 -0.000 0.000 0.000 3/32256 890.0 3.089 4.047 2.944 -0.000 0.000 0.000 3/32256 900.0 3.054 4.001 2.911 -0.000 0.000 0.000 3/32256 910.0 3.019 3.957 2.879 -0.000 0.000 0.000 3/32256 920.0 2.986 3.913 2.847 -0.000 0.000 0.000 3/32256 930.0 2.953 3.870 2.816 -0.000 0.000 0.000 3/32256 940.0 2.921 3.829 2.785 -0.000 0.000 0.000 3/32256 950.0 2.890 3.788 2.756 -0.000 0.000 0.000 3/32256 960.0 2.860 3.748 2.726 -0.000 0.000 0.000 3/32256 970.0 2.830 3.708 2.698 -0.000 0.000 0.000 3/32256 980.0 2.800 3.670 2.670 -0.000 0.000 0.000 3/32256 990.0 2.772 3.633 2.643 -0.000 0.000 0.000 3/32256 1000.0 2.743 3.596 2.616 -0.000 0.000 0.000 3/32256 Thermal conductivity related properties were written into "kappa-m2848.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:29:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|