----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:30:34]------------------------- 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 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.425747275211312 -5.159780145000000 0.000000000000000 b 3.425747275211312 5.159780145000000 0.000000000000000 c -0.679037348540190 0.000000000000000 4.147674968143411 Atomic positions (fractional): *1 F 0.73753069499130 0.26246930500870 0.00000000000000 18.998 2 F 0.26246930500870 0.73753069499130 0.00000000000000 18.998 *3 F 0.39468069526951 0.39468069526951 0.22654401959300 18.998 *4 F 0.67163800492055 0.95378258010348 0.43883682235864 18.998 5 F 0.04621741989651 0.32836199507945 0.56116317764137 18.998 6 F 0.32836199507945 0.04621741989652 0.56116317764137 18.998 7 F 0.95378258010348 0.67163800492055 0.43883682235864 18.998 8 F 0.60531930473049 0.60531930473049 0.77345598040700 18.998 *9 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 *10 Tm 0.32419250269740 0.67580749730260 0.50000000000000 168.934 11 Tm 0.67580749730260 0.32419250269740 0.50000000000000 168.934 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.851494550422624 0.000000000000000 0.000000000000000 b 0.000000000000000 10.319560290000000 0.000000000000000 c -0.679037348540190 0.000000000000000 4.147674968143411 Atomic positions (fractional): *1 F 0.50000000000000 0.76246930500870 0.00000000000000 18.998 > 1 2 F 0.50000000000000 0.23753069499130 0.00000000000000 18.998 > 2 *3 F 0.39468069526951 0.00000000000000 0.22654401959300 18.998 > 3 *4 F 0.81271029251202 0.14107228759147 0.43883682235864 18.998 > 4 5 F 0.18728970748798 0.14107228759147 0.56116317764137 18.998 > 5 6 F 0.18728970748798 0.85892771240853 0.56116317764137 18.998 > 6 7 F 0.81271029251202 0.85892771240853 0.43883682235864 18.998 > 7 8 F 0.60531930473049 0.00000000000000 0.77345598040700 18.998 > 8 9 F 0.00000000000000 0.26246930500869 0.00000000000000 18.998 > 1 10 F 0.00000000000000 0.73753069499130 0.00000000000000 18.998 > 2 11 F 0.89468069526951 0.50000000000000 0.22654401959300 18.998 > 3 12 F 0.31271029251202 0.64107228759147 0.43883682235864 18.998 > 4 13 F 0.68728970748798 0.64107228759147 0.56116317764137 18.998 > 5 14 F 0.68728970748798 0.35892771240853 0.56116317764137 18.998 > 6 15 F 0.31271029251202 0.35892771240853 0.43883682235864 18.998 > 7 16 F 0.10531930473049 0.50000000000000 0.77345598040700 18.998 > 8 *17 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 9 18 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 9 *19 Tm 0.50000000000000 0.17580749730260 0.50000000000000 168.934 > 10 20 Tm 0.50000000000000 0.82419250269740 0.50000000000000 168.934 > 11 21 Tm 0.00000000000000 0.67580749730260 0.50000000000000 168.934 > 10 22 Tm 0.00000000000000 0.32419250269740 0.50000000000000 168.934 > 11 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.702989100845247 0.000000000000000 0.000000000000000 b 0.000000000000000 10.319560290000000 0.000000000000000 c -2.037112045620570 0.000000000000000 12.443024904430233 Atomic positions (fractional): *1 F 0.25000000000000 0.76246930500870 0.00000000000000 18.998 > 1 2 F 0.75000000000000 0.76246930500870 0.00000000000000 18.998 > 1 3 F 0.25000000000000 0.76246930500870 0.33333333333333 18.998 > 1 4 F 0.75000000000000 0.76246930500870 0.33333333333333 18.998 > 1 5 F 0.25000000000000 0.76246930500870 0.66666666666667 18.998 > 1 6 F 0.75000000000000 0.76246930500870 0.66666666666667 18.998 > 1 7 F 0.25000000000000 0.23753069499130 0.00000000000000 18.998 > 2 8 F 0.75000000000000 0.23753069499130 0.00000000000000 18.998 > 2 9 F 0.25000000000000 0.23753069499130 0.33333333333333 18.998 > 2 10 F 0.75000000000000 0.23753069499130 0.33333333333333 18.998 > 2 11 F 0.25000000000000 0.23753069499130 0.66666666666667 18.998 > 2 12 F 0.75000000000000 0.23753069499130 0.66666666666667 18.998 > 2 *13 F 0.19734034763475 0.00000000000000 0.07551467319767 18.998 > 3 14 F 0.69734034763475 0.00000000000000 0.07551467319767 18.998 > 3 15 F 0.19734034763475 0.00000000000000 0.40884800653100 18.998 > 3 16 F 0.69734034763475 0.00000000000000 0.40884800653100 18.998 > 3 17 F 0.19734034763475 0.00000000000000 0.74218133986433 18.998 > 3 18 F 0.69734034763475 0.00000000000000 0.74218133986433 18.998 > 3 *19 F 0.40635514625601 0.14107228759147 0.14627894078621 18.998 > 4 20 F 0.90635514625601 0.14107228759147 0.14627894078621 18.998 > 4 21 F 0.40635514625601 0.14107228759147 0.47961227411954 18.998 > 4 22 F 0.90635514625601 0.14107228759147 0.47961227411954 18.998 > 4 23 F 0.40635514625601 0.14107228759147 0.81294560745288 18.998 > 4 24 F 0.90635514625601 0.14107228759147 0.81294560745288 18.998 > 4 25 F 0.09364485374399 0.14107228759147 0.18705439254712 18.998 > 5 26 F 0.59364485374399 0.14107228759147 0.18705439254712 18.998 > 5 27 F 0.09364485374399 0.14107228759147 0.52038772588046 18.998 > 5 28 F 0.59364485374399 0.14107228759147 0.52038772588046 18.998 > 5 29 F 0.09364485374399 0.14107228759147 0.85372105921379 18.998 > 5 30 F 0.59364485374399 0.14107228759147 0.85372105921379 18.998 > 5 31 F 0.09364485374399 0.85892771240853 0.18705439254712 18.998 > 6 32 F 0.59364485374399 0.85892771240853 0.18705439254712 18.998 > 6 33 F 0.09364485374399 0.85892771240853 0.52038772588046 18.998 > 6 34 F 0.59364485374399 0.85892771240853 0.52038772588046 18.998 > 6 35 F 0.09364485374399 0.85892771240853 0.85372105921379 18.998 > 6 36 F 0.59364485374399 0.85892771240853 0.85372105921379 18.998 > 6 37 F 0.40635514625601 0.85892771240853 0.14627894078621 18.998 > 7 38 F 0.90635514625601 0.85892771240853 0.14627894078621 18.998 > 7 39 F 0.40635514625601 0.85892771240853 0.47961227411954 18.998 > 7 40 F 0.90635514625601 0.85892771240853 0.47961227411954 18.998 > 7 41 F 0.40635514625601 0.85892771240853 0.81294560745288 18.998 > 7 42 F 0.90635514625601 0.85892771240853 0.81294560745288 18.998 > 7 43 F 0.30265965236525 0.00000000000000 0.25781866013567 18.998 > 8 44 F 0.80265965236525 0.00000000000000 0.25781866013567 18.998 > 8 45 F 0.30265965236525 0.00000000000000 0.59115199346900 18.998 > 8 46 F 0.80265965236525 0.00000000000000 0.59115199346900 18.998 > 8 47 F 0.30265965236525 0.00000000000000 0.92448532680233 18.998 > 8 48 F 0.80265965236525 0.00000000000000 0.92448532680233 18.998 > 8 49 F 0.00000000000000 0.26246930500869 0.00000000000000 18.998 > 1 50 F 0.50000000000000 0.26246930500869 0.00000000000000 18.998 > 1 51 F 0.00000000000000 0.26246930500869 0.33333333333333 18.998 > 1 52 F 0.50000000000000 0.26246930500869 0.33333333333333 18.998 > 1 53 F 0.00000000000000 0.26246930500869 0.66666666666667 18.998 > 1 54 F 0.50000000000000 0.26246930500869 0.66666666666667 18.998 > 1 55 F 0.00000000000000 0.73753069499130 0.00000000000000 18.998 > 2 56 F 0.50000000000000 0.73753069499130 0.00000000000000 18.998 > 2 57 F 0.00000000000000 0.73753069499130 0.33333333333333 18.998 > 2 58 F 0.50000000000000 0.73753069499130 0.33333333333333 18.998 > 2 59 F 0.00000000000000 0.73753069499130 0.66666666666667 18.998 > 2 60 F 0.50000000000000 0.73753069499130 0.66666666666667 18.998 > 2 61 F 0.44734034763475 0.50000000000000 0.07551467319767 18.998 > 3 62 F 0.94734034763475 0.50000000000000 0.07551467319767 18.998 > 3 63 F 0.44734034763475 0.50000000000000 0.40884800653100 18.998 > 3 64 F 0.94734034763475 0.50000000000000 0.40884800653100 18.998 > 3 65 F 0.44734034763475 0.50000000000000 0.74218133986433 18.998 > 3 66 F 0.94734034763475 0.50000000000000 0.74218133986433 18.998 > 3 67 F 0.15635514625601 0.64107228759147 0.14627894078621 18.998 > 4 68 F 0.65635514625601 0.64107228759147 0.14627894078621 18.998 > 4 69 F 0.15635514625601 0.64107228759147 0.47961227411954 18.998 > 4 70 F 0.65635514625601 0.64107228759147 0.47961227411954 18.998 > 4 71 F 0.15635514625601 0.64107228759147 0.81294560745288 18.998 > 4 72 F 0.65635514625601 0.64107228759147 0.81294560745288 18.998 > 4 73 F 0.34364485374399 0.64107228759147 0.18705439254712 18.998 > 5 74 F 0.84364485374399 0.64107228759147 0.18705439254712 18.998 > 5 75 F 0.34364485374399 0.64107228759147 0.52038772588046 18.998 > 5 76 F 0.84364485374399 0.64107228759147 0.52038772588046 18.998 > 5 77 F 0.34364485374399 0.64107228759147 0.85372105921379 18.998 > 5 78 F 0.84364485374399 0.64107228759147 0.85372105921379 18.998 > 5 79 F 0.34364485374399 0.35892771240853 0.18705439254712 18.998 > 6 80 F 0.84364485374399 0.35892771240853 0.18705439254712 18.998 > 6 81 F 0.34364485374399 0.35892771240853 0.52038772588046 18.998 > 6 82 F 0.84364485374399 0.35892771240853 0.52038772588046 18.998 > 6 83 F 0.34364485374399 0.35892771240853 0.85372105921379 18.998 > 6 84 F 0.84364485374399 0.35892771240853 0.85372105921379 18.998 > 6 85 F 0.15635514625601 0.35892771240853 0.14627894078621 18.998 > 7 86 F 0.65635514625601 0.35892771240853 0.14627894078621 18.998 > 7 87 F 0.15635514625601 0.35892771240853 0.47961227411954 18.998 > 7 88 F 0.65635514625601 0.35892771240853 0.47961227411954 18.998 > 7 89 F 0.15635514625601 0.35892771240853 0.81294560745288 18.998 > 7 90 F 0.65635514625601 0.35892771240853 0.81294560745288 18.998 > 7 91 F 0.05265965236525 0.50000000000000 0.25781866013567 18.998 > 8 92 F 0.55265965236525 0.50000000000000 0.25781866013567 18.998 > 8 93 F 0.05265965236525 0.50000000000000 0.59115199346900 18.998 > 8 94 F 0.55265965236525 0.50000000000000 0.59115199346900 18.998 > 8 95 F 0.05265965236525 0.50000000000000 0.92448532680233 18.998 > 8 96 F 0.55265965236525 0.50000000000000 0.92448532680233 18.998 > 8 *97 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 9 98 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 9 99 Ba 0.00000000000000 0.00000000000000 0.33333333333333 137.327 > 9 100 Ba 0.50000000000000 0.00000000000000 0.33333333333333 137.327 > 9 101 Ba 0.00000000000000 0.00000000000000 0.66666666666667 137.327 > 9 102 Ba 0.50000000000000 0.00000000000000 0.66666666666667 137.327 > 9 103 Ba 0.25000000000000 0.50000000000000 0.00000000000000 137.327 > 9 104 Ba 0.75000000000000 0.50000000000000 0.00000000000000 137.327 > 9 105 Ba 0.25000000000000 0.50000000000000 0.33333333333333 137.327 > 9 106 Ba 0.75000000000000 0.50000000000000 0.33333333333333 137.327 > 9 107 Ba 0.25000000000000 0.50000000000000 0.66666666666667 137.327 > 9 108 Ba 0.75000000000000 0.50000000000000 0.66666666666667 137.327 > 9 *109 Tm 0.25000000000000 0.17580749730260 0.16666666666667 168.934 > 10 110 Tm 0.75000000000000 0.17580749730260 0.16666666666667 168.934 > 10 111 Tm 0.25000000000000 0.17580749730260 0.50000000000000 168.934 > 10 112 Tm 0.75000000000000 0.17580749730260 0.50000000000000 168.934 > 10 113 Tm 0.25000000000000 0.17580749730260 0.83333333333333 168.934 > 10 114 Tm 0.75000000000000 0.17580749730260 0.83333333333333 168.934 > 10 115 Tm 0.25000000000000 0.82419250269740 0.16666666666667 168.934 > 11 116 Tm 0.75000000000000 0.82419250269740 0.16666666666667 168.934 > 11 117 Tm 0.25000000000000 0.82419250269740 0.50000000000000 168.934 > 11 118 Tm 0.75000000000000 0.82419250269740 0.50000000000000 168.934 > 11 119 Tm 0.25000000000000 0.82419250269740 0.83333333333333 168.934 > 11 120 Tm 0.75000000000000 0.82419250269740 0.83333333333333 168.934 > 11 121 Tm 0.00000000000000 0.67580749730260 0.16666666666667 168.934 > 10 122 Tm 0.50000000000000 0.67580749730260 0.16666666666667 168.934 > 10 123 Tm 0.00000000000000 0.67580749730260 0.50000000000000 168.934 > 10 124 Tm 0.50000000000000 0.67580749730260 0.50000000000000 168.934 > 10 125 Tm 0.00000000000000 0.67580749730260 0.83333333333333 168.934 > 10 126 Tm 0.50000000000000 0.67580749730260 0.83333333333333 168.934 > 10 127 Tm 0.00000000000000 0.32419250269740 0.16666666666667 168.934 > 11 128 Tm 0.50000000000000 0.32419250269740 0.16666666666667 168.934 > 11 129 Tm 0.00000000000000 0.32419250269740 0.50000000000000 168.934 > 11 130 Tm 0.50000000000000 0.32419250269740 0.50000000000000 168.934 > 11 131 Tm 0.00000000000000 0.32419250269740 0.83333333333333 168.934 > 11 132 Tm 0.50000000000000 0.32419250269740 0.83333333333333 168.934 > 11 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5942867 0.0000000 -0.0093806 0.0000000 2.6496864 0.0000000 -0.0093807 0.0000000 2.5645805 -------------------------- Born effective charges -------------------------- 1 F -0.7619110 0.0000000 0.1710062 0.0000000 -1.1231434 0.0000000 0.2083973 0.0000000 -1.9448782 2 F -0.7619110 0.0000000 0.1710062 0.0000000 -1.1231434 0.0000000 0.2083973 0.0000000 -1.9448782 3 F -1.0760930 0.0000000 -0.2881840 0.0000000 -1.6365920 0.0000000 -0.2624351 0.0000000 -1.0161883 4 F -1.6177689 -0.0395417 0.0816393 -0.0728112 -1.2298994 -0.0362138 0.0614941 -0.0522142 -0.9674281 5 F -1.6177689 0.0395417 0.0816393 0.0728112 -1.2298994 0.0362138 0.0614941 0.0522142 -0.9674281 6 F -1.6177689 -0.0395417 0.0816393 -0.0728112 -1.2298994 -0.0362138 0.0614941 -0.0522142 -0.9674281 7 F -1.6177689 0.0395417 0.0816393 0.0728112 -1.2298994 0.0362138 0.0614941 0.0522142 -0.9674281 8 F -1.0760930 0.0000000 -0.2881840 0.0000000 -1.6365920 0.0000000 -0.2624351 0.0000000 -1.0161883 9 Ba 2.6180400 0.0000000 0.0444126 0.0000000 2.8019608 0.0000000 0.1019705 0.0000000 2.7293086 10 Tm 3.7645218 0.0000000 -0.0683073 0.0000000 3.8185538 0.0000000 -0.1199357 0.0000000 3.5312685 11 Tm 3.7645218 0.0000000 -0.0683073 0.0000000 3.8185538 0.0000000 -0.1199357 0.0000000 3.5312685 ---------------------------------------------------------------------------- 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: 396/396 Permutation basis: 8628/8628 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1771 Number of blocks in projector: 1771 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: 403 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 240 Use standard eigh solver. Tree of FC basis block matrices: - (1771, 1743), data: False |-- (240, 235), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (324, 322), data: True |-- (324, 322), data: True |-- (403, 394), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 3.315 Solver_block: 200 / 400 - Time: 3.269 Solver_block: 300 / 400 - Time: 3.262 Solver_block: 400 / 400 - Time: 3.242 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.133 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 396/396 Permutation basis: 8628/8628 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1771 Number of blocks in projector: 1771 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: 403 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 240 Use standard eigh solver. Tree of FC basis block matrices: - (1771, 1743), data: False |-- (240, 235), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (324, 322), data: True |-- (324, 322), data: True |-- (403, 394), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:31:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:31:08]------------------------- 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 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.425747275211312 -5.159780145000000 0.000000000000000 b 3.425747275211312 5.159780145000000 0.000000000000000 c -0.679037348540190 0.000000000000000 4.147674968143411 Atomic positions (fractional): 1 F 0.73753069499130 0.26246930500870 0.00000000000000 18.998 2 F 0.26246930500870 0.73753069499130 0.00000000000000 18.998 3 F 0.39468069526951 0.39468069526951 0.22654401959300 18.998 4 F 0.67163800492055 0.95378258010348 0.43883682235864 18.998 5 F 0.04621741989651 0.32836199507945 0.56116317764137 18.998 6 F 0.32836199507945 0.04621741989652 0.56116317764137 18.998 7 F 0.95378258010348 0.67163800492055 0.43883682235864 18.998 8 F 0.60531930473049 0.60531930473049 0.77345598040700 18.998 9 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 10 Tm 0.32419250269740 0.67580749730260 0.50000000000000 168.934 11 Tm 0.67580749730260 0.32419250269740 0.50000000000000 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.702989100845247 0.000000000000000 0.000000000000000 b 0.000000000000000 10.319560290000000 0.000000000000000 c -2.037112045620570 0.000000000000000 12.443024904430233 Atomic positions (fractional): 1 F 0.25000000000000 0.76246930500870 0.00000000000000 18.998 > 1 2 F 0.75000000000000 0.76246930500870 0.00000000000000 18.998 > 1 3 F 0.25000000000000 0.76246930500870 0.33333333333333 18.998 > 1 4 F 0.75000000000000 0.76246930500870 0.33333333333333 18.998 > 1 5 F 0.25000000000000 0.76246930500870 0.66666666666667 18.998 > 1 6 F 0.75000000000000 0.76246930500870 0.66666666666667 18.998 > 1 7 F 0.25000000000000 0.23753069499130 0.00000000000000 18.998 > 7 8 F 0.75000000000000 0.23753069499130 0.00000000000000 18.998 > 7 9 F 0.25000000000000 0.23753069499130 0.33333333333333 18.998 > 7 10 F 0.75000000000000 0.23753069499130 0.33333333333333 18.998 > 7 11 F 0.25000000000000 0.23753069499130 0.66666666666667 18.998 > 7 12 F 0.75000000000000 0.23753069499130 0.66666666666667 18.998 > 7 13 F 0.19734034763475 0.00000000000000 0.07551467319767 18.998 > 13 14 F 0.69734034763475 0.00000000000000 0.07551467319767 18.998 > 13 15 F 0.19734034763475 0.00000000000000 0.40884800653100 18.998 > 13 16 F 0.69734034763475 0.00000000000000 0.40884800653100 18.998 > 13 17 F 0.19734034763475 0.00000000000000 0.74218133986433 18.998 > 13 18 F 0.69734034763475 0.00000000000000 0.74218133986433 18.998 > 13 19 F 0.40635514625601 0.14107228759147 0.14627894078621 18.998 > 19 20 F 0.90635514625601 0.14107228759147 0.14627894078621 18.998 > 19 21 F 0.40635514625601 0.14107228759147 0.47961227411954 18.998 > 19 22 F 0.90635514625601 0.14107228759147 0.47961227411954 18.998 > 19 23 F 0.40635514625601 0.14107228759147 0.81294560745288 18.998 > 19 24 F 0.90635514625601 0.14107228759147 0.81294560745288 18.998 > 19 25 F 0.09364485374399 0.14107228759147 0.18705439254712 18.998 > 25 26 F 0.59364485374399 0.14107228759147 0.18705439254712 18.998 > 25 27 F 0.09364485374399 0.14107228759147 0.52038772588046 18.998 > 25 28 F 0.59364485374399 0.14107228759147 0.52038772588046 18.998 > 25 29 F 0.09364485374399 0.14107228759147 0.85372105921379 18.998 > 25 30 F 0.59364485374399 0.14107228759147 0.85372105921379 18.998 > 25 31 F 0.09364485374399 0.85892771240853 0.18705439254712 18.998 > 31 32 F 0.59364485374399 0.85892771240853 0.18705439254712 18.998 > 31 33 F 0.09364485374399 0.85892771240853 0.52038772588046 18.998 > 31 34 F 0.59364485374399 0.85892771240853 0.52038772588046 18.998 > 31 35 F 0.09364485374399 0.85892771240853 0.85372105921379 18.998 > 31 36 F 0.59364485374399 0.85892771240853 0.85372105921379 18.998 > 31 37 F 0.40635514625601 0.85892771240853 0.14627894078621 18.998 > 37 38 F 0.90635514625601 0.85892771240853 0.14627894078621 18.998 > 37 39 F 0.40635514625601 0.85892771240853 0.47961227411954 18.998 > 37 40 F 0.90635514625601 0.85892771240853 0.47961227411954 18.998 > 37 41 F 0.40635514625601 0.85892771240853 0.81294560745288 18.998 > 37 42 F 0.90635514625601 0.85892771240853 0.81294560745288 18.998 > 37 43 F 0.30265965236525 0.00000000000000 0.25781866013567 18.998 > 43 44 F 0.80265965236525 0.00000000000000 0.25781866013567 18.998 > 43 45 F 0.30265965236525 0.00000000000000 0.59115199346900 18.998 > 43 46 F 0.80265965236525 0.00000000000000 0.59115199346900 18.998 > 43 47 F 0.30265965236525 0.00000000000000 0.92448532680233 18.998 > 43 48 F 0.80265965236525 0.00000000000000 0.92448532680233 18.998 > 43 49 F 0.00000000000000 0.26246930500869 0.00000000000000 18.998 > 1 50 F 0.50000000000000 0.26246930500869 0.00000000000000 18.998 > 1 51 F 0.00000000000000 0.26246930500869 0.33333333333333 18.998 > 1 52 F 0.50000000000000 0.26246930500869 0.33333333333333 18.998 > 1 53 F 0.00000000000000 0.26246930500869 0.66666666666667 18.998 > 1 54 F 0.50000000000000 0.26246930500869 0.66666666666667 18.998 > 1 55 F 0.00000000000000 0.73753069499130 0.00000000000000 18.998 > 7 56 F 0.50000000000000 0.73753069499130 0.00000000000000 18.998 > 7 57 F 0.00000000000000 0.73753069499130 0.33333333333333 18.998 > 7 58 F 0.50000000000000 0.73753069499130 0.33333333333333 18.998 > 7 59 F 0.00000000000000 0.73753069499130 0.66666666666667 18.998 > 7 60 F 0.50000000000000 0.73753069499130 0.66666666666667 18.998 > 7 61 F 0.44734034763475 0.50000000000000 0.07551467319767 18.998 > 13 62 F 0.94734034763475 0.50000000000000 0.07551467319767 18.998 > 13 63 F 0.44734034763475 0.50000000000000 0.40884800653100 18.998 > 13 64 F 0.94734034763475 0.50000000000000 0.40884800653100 18.998 > 13 65 F 0.44734034763475 0.50000000000000 0.74218133986433 18.998 > 13 66 F 0.94734034763475 0.50000000000000 0.74218133986433 18.998 > 13 67 F 0.15635514625601 0.64107228759147 0.14627894078621 18.998 > 19 68 F 0.65635514625601 0.64107228759147 0.14627894078621 18.998 > 19 69 F 0.15635514625601 0.64107228759147 0.47961227411954 18.998 > 19 70 F 0.65635514625601 0.64107228759147 0.47961227411954 18.998 > 19 71 F 0.15635514625601 0.64107228759147 0.81294560745288 18.998 > 19 72 F 0.65635514625601 0.64107228759147 0.81294560745288 18.998 > 19 73 F 0.34364485374399 0.64107228759147 0.18705439254712 18.998 > 25 74 F 0.84364485374399 0.64107228759147 0.18705439254712 18.998 > 25 75 F 0.34364485374399 0.64107228759147 0.52038772588046 18.998 > 25 76 F 0.84364485374399 0.64107228759147 0.52038772588046 18.998 > 25 77 F 0.34364485374399 0.64107228759147 0.85372105921379 18.998 > 25 78 F 0.84364485374399 0.64107228759147 0.85372105921379 18.998 > 25 79 F 0.34364485374399 0.35892771240853 0.18705439254712 18.998 > 31 80 F 0.84364485374399 0.35892771240853 0.18705439254712 18.998 > 31 81 F 0.34364485374399 0.35892771240853 0.52038772588046 18.998 > 31 82 F 0.84364485374399 0.35892771240853 0.52038772588046 18.998 > 31 83 F 0.34364485374399 0.35892771240853 0.85372105921379 18.998 > 31 84 F 0.84364485374399 0.35892771240853 0.85372105921379 18.998 > 31 85 F 0.15635514625601 0.35892771240853 0.14627894078621 18.998 > 37 86 F 0.65635514625601 0.35892771240853 0.14627894078621 18.998 > 37 87 F 0.15635514625601 0.35892771240853 0.47961227411954 18.998 > 37 88 F 0.65635514625601 0.35892771240853 0.47961227411954 18.998 > 37 89 F 0.15635514625601 0.35892771240853 0.81294560745288 18.998 > 37 90 F 0.65635514625601 0.35892771240853 0.81294560745288 18.998 > 37 91 F 0.05265965236525 0.50000000000000 0.25781866013567 18.998 > 43 92 F 0.55265965236525 0.50000000000000 0.25781866013567 18.998 > 43 93 F 0.05265965236525 0.50000000000000 0.59115199346900 18.998 > 43 94 F 0.55265965236525 0.50000000000000 0.59115199346900 18.998 > 43 95 F 0.05265965236525 0.50000000000000 0.92448532680233 18.998 > 43 96 F 0.55265965236525 0.50000000000000 0.92448532680233 18.998 > 43 97 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 97 98 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 97 99 Ba 0.00000000000000 0.00000000000000 0.33333333333333 137.327 > 97 100 Ba 0.50000000000000 0.00000000000000 0.33333333333333 137.327 > 97 101 Ba 0.00000000000000 0.00000000000000 0.66666666666667 137.327 > 97 102 Ba 0.50000000000000 0.00000000000000 0.66666666666667 137.327 > 97 103 Ba 0.25000000000000 0.50000000000000 0.00000000000000 137.327 > 97 104 Ba 0.75000000000000 0.50000000000000 0.00000000000000 137.327 > 97 105 Ba 0.25000000000000 0.50000000000000 0.33333333333333 137.327 > 97 106 Ba 0.75000000000000 0.50000000000000 0.33333333333333 137.327 > 97 107 Ba 0.25000000000000 0.50000000000000 0.66666666666667 137.327 > 97 108 Ba 0.75000000000000 0.50000000000000 0.66666666666667 137.327 > 97 109 Tm 0.25000000000000 0.17580749730260 0.16666666666667 168.934 > 109 110 Tm 0.75000000000000 0.17580749730260 0.16666666666667 168.934 > 109 111 Tm 0.25000000000000 0.17580749730260 0.50000000000000 168.934 > 109 112 Tm 0.75000000000000 0.17580749730260 0.50000000000000 168.934 > 109 113 Tm 0.25000000000000 0.17580749730260 0.83333333333333 168.934 > 109 114 Tm 0.75000000000000 0.17580749730260 0.83333333333333 168.934 > 109 115 Tm 0.25000000000000 0.82419250269740 0.16666666666667 168.934 > 115 116 Tm 0.75000000000000 0.82419250269740 0.16666666666667 168.934 > 115 117 Tm 0.25000000000000 0.82419250269740 0.50000000000000 168.934 > 115 118 Tm 0.75000000000000 0.82419250269740 0.50000000000000 168.934 > 115 119 Tm 0.25000000000000 0.82419250269740 0.83333333333333 168.934 > 115 120 Tm 0.75000000000000 0.82419250269740 0.83333333333333 168.934 > 115 121 Tm 0.00000000000000 0.67580749730260 0.16666666666667 168.934 > 109 122 Tm 0.50000000000000 0.67580749730260 0.16666666666667 168.934 > 109 123 Tm 0.00000000000000 0.67580749730260 0.50000000000000 168.934 > 109 124 Tm 0.50000000000000 0.67580749730260 0.50000000000000 168.934 > 109 125 Tm 0.00000000000000 0.67580749730260 0.83333333333333 168.934 > 109 126 Tm 0.50000000000000 0.67580749730260 0.83333333333333 168.934 > 109 127 Tm 0.00000000000000 0.32419250269740 0.16666666666667 168.934 > 115 128 Tm 0.50000000000000 0.32419250269740 0.16666666666667 168.934 > 115 129 Tm 0.00000000000000 0.32419250269740 0.50000000000000 168.934 > 115 130 Tm 0.50000000000000 0.32419250269740 0.50000000000000 168.934 > 115 131 Tm 0.00000000000000 0.32419250269740 0.83333333333333 168.934 > 115 132 Tm 0.50000000000000 0.32419250269740 0.83333333333333 168.934 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5942867 0.0000000 -0.0093806 0.0000000 2.6496864 0.0000000 -0.0093807 0.0000000 2.5645805 -------------------------- Born effective charges -------------------------- 1 F -0.7619110 0.0000000 0.1710062 0.0000000 -1.1231434 0.0000000 0.2083973 0.0000000 -1.9448782 2 F -0.7619110 0.0000000 0.1710062 0.0000000 -1.1231434 0.0000000 0.2083973 0.0000000 -1.9448782 3 F -1.0760930 0.0000000 -0.2881840 0.0000000 -1.6365920 0.0000000 -0.2624351 0.0000000 -1.0161883 4 F -1.6177689 -0.0395417 0.0816393 -0.0728112 -1.2298994 -0.0362138 0.0614941 -0.0522142 -0.9674281 5 F -1.6177689 0.0395417 0.0816393 0.0728112 -1.2298994 0.0362138 0.0614941 0.0522142 -0.9674281 6 F -1.6177689 -0.0395417 0.0816393 -0.0728112 -1.2298994 -0.0362138 0.0614941 -0.0522142 -0.9674281 7 F -1.6177689 0.0395417 0.0816393 0.0728112 -1.2298994 0.0362138 0.0614941 0.0522142 -0.9674281 8 F -1.0760930 0.0000000 -0.2881840 0.0000000 -1.6365920 0.0000000 -0.2624351 0.0000000 -1.0161883 9 Ba 2.6180400 0.0000000 0.0444126 0.0000000 2.8019608 0.0000000 0.1019705 0.0000000 2.7293086 10 Tm 3.7645218 0.0000000 -0.0683073 0.0000000 3.8185538 0.0000000 -0.1199357 0.0000000 3.5312685 11 Tm 3.7645218 0.0000000 -0.0683073 0.0000000 3.8185538 0.0000000 -0.1199357 0.0000000 3.5312685 ---------------------------------------------------------------------------- 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 13, 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 19, 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 109, 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:31:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:31:30]------------------------- 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 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.425747275211312 -5.159780145000000 0.000000000000000 b 3.425747275211312 5.159780145000000 0.000000000000000 c -0.679037348540190 0.000000000000000 4.147674968143411 Atomic positions (fractional): 1 F 0.73753069499130 0.26246930500870 0.00000000000000 18.998 2 F 0.26246930500870 0.73753069499130 0.00000000000000 18.998 3 F 0.39468069526951 0.39468069526951 0.22654401959300 18.998 4 F 0.67163800492055 0.95378258010348 0.43883682235864 18.998 5 F 0.04621741989651 0.32836199507945 0.56116317764137 18.998 6 F 0.32836199507945 0.04621741989652 0.56116317764137 18.998 7 F 0.95378258010348 0.67163800492055 0.43883682235864 18.998 8 F 0.60531930473049 0.60531930473049 0.77345598040700 18.998 9 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 10 Tm 0.32419250269740 0.67580749730260 0.50000000000000 168.934 11 Tm 0.67580749730260 0.32419250269740 0.50000000000000 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.702989100845247 0.000000000000000 0.000000000000000 b 0.000000000000000 10.319560290000000 0.000000000000000 c -2.037112045620570 0.000000000000000 12.443024904430233 Atomic positions (fractional): 1 F 0.25000000000000 0.76246930500870 0.00000000000000 18.998 > 1 2 F 0.75000000000000 0.76246930500870 0.00000000000000 18.998 > 1 3 F 0.25000000000000 0.76246930500870 0.33333333333333 18.998 > 1 4 F 0.75000000000000 0.76246930500870 0.33333333333333 18.998 > 1 5 F 0.25000000000000 0.76246930500870 0.66666666666667 18.998 > 1 6 F 0.75000000000000 0.76246930500870 0.66666666666667 18.998 > 1 7 F 0.25000000000000 0.23753069499130 0.00000000000000 18.998 > 7 8 F 0.75000000000000 0.23753069499130 0.00000000000000 18.998 > 7 9 F 0.25000000000000 0.23753069499130 0.33333333333333 18.998 > 7 10 F 0.75000000000000 0.23753069499130 0.33333333333333 18.998 > 7 11 F 0.25000000000000 0.23753069499130 0.66666666666667 18.998 > 7 12 F 0.75000000000000 0.23753069499130 0.66666666666667 18.998 > 7 13 F 0.19734034763475 0.00000000000000 0.07551467319767 18.998 > 13 14 F 0.69734034763475 0.00000000000000 0.07551467319767 18.998 > 13 15 F 0.19734034763475 0.00000000000000 0.40884800653100 18.998 > 13 16 F 0.69734034763475 0.00000000000000 0.40884800653100 18.998 > 13 17 F 0.19734034763475 0.00000000000000 0.74218133986433 18.998 > 13 18 F 0.69734034763475 0.00000000000000 0.74218133986433 18.998 > 13 19 F 0.40635514625601 0.14107228759147 0.14627894078621 18.998 > 19 20 F 0.90635514625601 0.14107228759147 0.14627894078621 18.998 > 19 21 F 0.40635514625601 0.14107228759147 0.47961227411954 18.998 > 19 22 F 0.90635514625601 0.14107228759147 0.47961227411954 18.998 > 19 23 F 0.40635514625601 0.14107228759147 0.81294560745288 18.998 > 19 24 F 0.90635514625601 0.14107228759147 0.81294560745288 18.998 > 19 25 F 0.09364485374399 0.14107228759147 0.18705439254712 18.998 > 25 26 F 0.59364485374399 0.14107228759147 0.18705439254712 18.998 > 25 27 F 0.09364485374399 0.14107228759147 0.52038772588046 18.998 > 25 28 F 0.59364485374399 0.14107228759147 0.52038772588046 18.998 > 25 29 F 0.09364485374399 0.14107228759147 0.85372105921379 18.998 > 25 30 F 0.59364485374399 0.14107228759147 0.85372105921379 18.998 > 25 31 F 0.09364485374399 0.85892771240853 0.18705439254712 18.998 > 31 32 F 0.59364485374399 0.85892771240853 0.18705439254712 18.998 > 31 33 F 0.09364485374399 0.85892771240853 0.52038772588046 18.998 > 31 34 F 0.59364485374399 0.85892771240853 0.52038772588046 18.998 > 31 35 F 0.09364485374399 0.85892771240853 0.85372105921379 18.998 > 31 36 F 0.59364485374399 0.85892771240853 0.85372105921379 18.998 > 31 37 F 0.40635514625601 0.85892771240853 0.14627894078621 18.998 > 37 38 F 0.90635514625601 0.85892771240853 0.14627894078621 18.998 > 37 39 F 0.40635514625601 0.85892771240853 0.47961227411954 18.998 > 37 40 F 0.90635514625601 0.85892771240853 0.47961227411954 18.998 > 37 41 F 0.40635514625601 0.85892771240853 0.81294560745288 18.998 > 37 42 F 0.90635514625601 0.85892771240853 0.81294560745288 18.998 > 37 43 F 0.30265965236525 0.00000000000000 0.25781866013567 18.998 > 43 44 F 0.80265965236525 0.00000000000000 0.25781866013567 18.998 > 43 45 F 0.30265965236525 0.00000000000000 0.59115199346900 18.998 > 43 46 F 0.80265965236525 0.00000000000000 0.59115199346900 18.998 > 43 47 F 0.30265965236525 0.00000000000000 0.92448532680233 18.998 > 43 48 F 0.80265965236525 0.00000000000000 0.92448532680233 18.998 > 43 49 F 0.00000000000000 0.26246930500869 0.00000000000000 18.998 > 1 50 F 0.50000000000000 0.26246930500869 0.00000000000000 18.998 > 1 51 F 0.00000000000000 0.26246930500869 0.33333333333333 18.998 > 1 52 F 0.50000000000000 0.26246930500869 0.33333333333333 18.998 > 1 53 F 0.00000000000000 0.26246930500869 0.66666666666667 18.998 > 1 54 F 0.50000000000000 0.26246930500869 0.66666666666667 18.998 > 1 55 F 0.00000000000000 0.73753069499130 0.00000000000000 18.998 > 7 56 F 0.50000000000000 0.73753069499130 0.00000000000000 18.998 > 7 57 F 0.00000000000000 0.73753069499130 0.33333333333333 18.998 > 7 58 F 0.50000000000000 0.73753069499130 0.33333333333333 18.998 > 7 59 F 0.00000000000000 0.73753069499130 0.66666666666667 18.998 > 7 60 F 0.50000000000000 0.73753069499130 0.66666666666667 18.998 > 7 61 F 0.44734034763475 0.50000000000000 0.07551467319767 18.998 > 13 62 F 0.94734034763475 0.50000000000000 0.07551467319767 18.998 > 13 63 F 0.44734034763475 0.50000000000000 0.40884800653100 18.998 > 13 64 F 0.94734034763475 0.50000000000000 0.40884800653100 18.998 > 13 65 F 0.44734034763475 0.50000000000000 0.74218133986433 18.998 > 13 66 F 0.94734034763475 0.50000000000000 0.74218133986433 18.998 > 13 67 F 0.15635514625601 0.64107228759147 0.14627894078621 18.998 > 19 68 F 0.65635514625601 0.64107228759147 0.14627894078621 18.998 > 19 69 F 0.15635514625601 0.64107228759147 0.47961227411954 18.998 > 19 70 F 0.65635514625601 0.64107228759147 0.47961227411954 18.998 > 19 71 F 0.15635514625601 0.64107228759147 0.81294560745288 18.998 > 19 72 F 0.65635514625601 0.64107228759147 0.81294560745288 18.998 > 19 73 F 0.34364485374399 0.64107228759147 0.18705439254712 18.998 > 25 74 F 0.84364485374399 0.64107228759147 0.18705439254712 18.998 > 25 75 F 0.34364485374399 0.64107228759147 0.52038772588046 18.998 > 25 76 F 0.84364485374399 0.64107228759147 0.52038772588046 18.998 > 25 77 F 0.34364485374399 0.64107228759147 0.85372105921379 18.998 > 25 78 F 0.84364485374399 0.64107228759147 0.85372105921379 18.998 > 25 79 F 0.34364485374399 0.35892771240853 0.18705439254712 18.998 > 31 80 F 0.84364485374399 0.35892771240853 0.18705439254712 18.998 > 31 81 F 0.34364485374399 0.35892771240853 0.52038772588046 18.998 > 31 82 F 0.84364485374399 0.35892771240853 0.52038772588046 18.998 > 31 83 F 0.34364485374399 0.35892771240853 0.85372105921379 18.998 > 31 84 F 0.84364485374399 0.35892771240853 0.85372105921379 18.998 > 31 85 F 0.15635514625601 0.35892771240853 0.14627894078621 18.998 > 37 86 F 0.65635514625601 0.35892771240853 0.14627894078621 18.998 > 37 87 F 0.15635514625601 0.35892771240853 0.47961227411954 18.998 > 37 88 F 0.65635514625601 0.35892771240853 0.47961227411954 18.998 > 37 89 F 0.15635514625601 0.35892771240853 0.81294560745288 18.998 > 37 90 F 0.65635514625601 0.35892771240853 0.81294560745288 18.998 > 37 91 F 0.05265965236525 0.50000000000000 0.25781866013567 18.998 > 43 92 F 0.55265965236525 0.50000000000000 0.25781866013567 18.998 > 43 93 F 0.05265965236525 0.50000000000000 0.59115199346900 18.998 > 43 94 F 0.55265965236525 0.50000000000000 0.59115199346900 18.998 > 43 95 F 0.05265965236525 0.50000000000000 0.92448532680233 18.998 > 43 96 F 0.55265965236525 0.50000000000000 0.92448532680233 18.998 > 43 97 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 97 98 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 97 99 Ba 0.00000000000000 0.00000000000000 0.33333333333333 137.327 > 97 100 Ba 0.50000000000000 0.00000000000000 0.33333333333333 137.327 > 97 101 Ba 0.00000000000000 0.00000000000000 0.66666666666667 137.327 > 97 102 Ba 0.50000000000000 0.00000000000000 0.66666666666667 137.327 > 97 103 Ba 0.25000000000000 0.50000000000000 0.00000000000000 137.327 > 97 104 Ba 0.75000000000000 0.50000000000000 0.00000000000000 137.327 > 97 105 Ba 0.25000000000000 0.50000000000000 0.33333333333333 137.327 > 97 106 Ba 0.75000000000000 0.50000000000000 0.33333333333333 137.327 > 97 107 Ba 0.25000000000000 0.50000000000000 0.66666666666667 137.327 > 97 108 Ba 0.75000000000000 0.50000000000000 0.66666666666667 137.327 > 97 109 Tm 0.25000000000000 0.17580749730260 0.16666666666667 168.934 > 109 110 Tm 0.75000000000000 0.17580749730260 0.16666666666667 168.934 > 109 111 Tm 0.25000000000000 0.17580749730260 0.50000000000000 168.934 > 109 112 Tm 0.75000000000000 0.17580749730260 0.50000000000000 168.934 > 109 113 Tm 0.25000000000000 0.17580749730260 0.83333333333333 168.934 > 109 114 Tm 0.75000000000000 0.17580749730260 0.83333333333333 168.934 > 109 115 Tm 0.25000000000000 0.82419250269740 0.16666666666667 168.934 > 115 116 Tm 0.75000000000000 0.82419250269740 0.16666666666667 168.934 > 115 117 Tm 0.25000000000000 0.82419250269740 0.50000000000000 168.934 > 115 118 Tm 0.75000000000000 0.82419250269740 0.50000000000000 168.934 > 115 119 Tm 0.25000000000000 0.82419250269740 0.83333333333333 168.934 > 115 120 Tm 0.75000000000000 0.82419250269740 0.83333333333333 168.934 > 115 121 Tm 0.00000000000000 0.67580749730260 0.16666666666667 168.934 > 109 122 Tm 0.50000000000000 0.67580749730260 0.16666666666667 168.934 > 109 123 Tm 0.00000000000000 0.67580749730260 0.50000000000000 168.934 > 109 124 Tm 0.50000000000000 0.67580749730260 0.50000000000000 168.934 > 109 125 Tm 0.00000000000000 0.67580749730260 0.83333333333333 168.934 > 109 126 Tm 0.50000000000000 0.67580749730260 0.83333333333333 168.934 > 109 127 Tm 0.00000000000000 0.32419250269740 0.16666666666667 168.934 > 115 128 Tm 0.50000000000000 0.32419250269740 0.16666666666667 168.934 > 115 129 Tm 0.00000000000000 0.32419250269740 0.50000000000000 168.934 > 115 130 Tm 0.50000000000000 0.32419250269740 0.50000000000000 168.934 > 115 131 Tm 0.00000000000000 0.32419250269740 0.83333333333333 168.934 > 115 132 Tm 0.50000000000000 0.32419250269740 0.83333333333333 168.934 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5942867 0.0000000 -0.0093806 0.0000000 2.6496864 0.0000000 -0.0093807 0.0000000 2.5645805 -------------------------- Born effective charges -------------------------- 1 F -0.7619110 0.0000000 0.1710062 0.0000000 -1.1231434 0.0000000 0.2083973 0.0000000 -1.9448782 2 F -0.7619110 0.0000000 0.1710062 0.0000000 -1.1231434 0.0000000 0.2083973 0.0000000 -1.9448782 3 F -1.0760930 0.0000000 -0.2881840 0.0000000 -1.6365920 0.0000000 -0.2624351 0.0000000 -1.0161883 4 F -1.6177689 -0.0395417 0.0816393 -0.0728112 -1.2298994 -0.0362138 0.0614941 -0.0522142 -0.9674281 5 F -1.6177689 0.0395417 0.0816393 0.0728112 -1.2298994 0.0362138 0.0614941 0.0522142 -0.9674281 6 F -1.6177689 -0.0395417 0.0816393 -0.0728112 -1.2298994 -0.0362138 0.0614941 -0.0522142 -0.9674281 7 F -1.6177689 0.0395417 0.0816393 0.0728112 -1.2298994 0.0362138 0.0614941 0.0522142 -0.9674281 8 F -1.0760930 0.0000000 -0.2881840 0.0000000 -1.6365920 0.0000000 -0.2624351 0.0000000 -1.0161883 9 Ba 2.6180400 0.0000000 0.0444126 0.0000000 2.8019608 0.0000000 0.1019705 0.0000000 2.7293086 10 Tm 3.7645218 0.0000000 -0.0683073 0.0000000 3.8185538 0.0000000 -0.1199357 0.0000000 3.5312685 11 Tm 3.7645218 0.0000000 -0.0683073 0.0000000 3.8185538 0.0000000 -0.1199357 0.0000000 3.5312685 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 9 9 12 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.79, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/275) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 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 2.357 ( 0.000 0.000 0.000) 0.000 2.616 ( 0.000 0.000 0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.413 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 4.310 ( 0.000 0.000 0.000) 0.000 4.889 ( 0.000 0.000 0.000) 0.000 5.126 ( 0.000 0.000 0.000) 0.000 5.466 ( 0.000 0.000 0.000) 0.000 5.606 ( 0.000 0.000 0.000) 0.000 6.013 ( 0.000 0.000 0.000) 0.000 6.791 ( 0.000 0.000 0.000) 0.000 6.958 ( 0.000 0.000 0.000) 0.000 7.166 ( 0.000 0.000 0.000) 0.000 7.446 ( 0.000 0.000 0.000) 0.000 7.521 ( 0.000 0.000 0.000) 0.000 7.904 ( 0.000 0.000 0.000) 0.000 7.934 ( 0.000 0.000 0.000) 0.000 8.005 ( 0.000 0.000 0.000) 0.000 9.352 ( 0.000 0.000 0.000) 0.000 9.962 ( 0.000 0.000 0.000) 0.000 10.093 ( 0.000 0.000 0.000) 0.000 10.430 ( 0.000 0.000 0.000) 0.000 10.562 ( 0.000 0.000 0.000) 0.000 10.968 ( 0.000 0.000 0.000) 0.000 11.686 ( 0.000 0.000 0.000) 0.000 11.847 ( 0.000 0.000 0.000) 0.000 11.906 ( 0.000 0.000 0.000) 0.000 13.083 ( 0.000 0.000 0.000) 0.000 13.891 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/275) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( 16.650 -14.400 8.289) 23.522 0.564 ( 14.388 -30.877 -3.383) 34.233 0.905 ( 47.589 -10.020 0.503) 48.635 2.346 ( -0.421 1.758 0.876) 2.009 2.594 ( -2.477 0.431 0.271) 2.528 3.269 ( 1.618 -1.931 -2.989) 3.909 3.495 ( -1.670 11.869 2.474) 12.238 3.959 ( -6.734 3.549 -2.732) 8.087 4.631 ( 1.818 16.302 26.307) 31.002 4.843 ( -7.518 -3.473 0.029) 8.281 5.109 ( -4.076 -1.684 1.414) 4.632 5.497 ( 1.784 -2.329 4.533) 5.400 5.819 ( 17.770 14.822 -20.058) 30.623 6.052 ( 2.094 -1.935 -7.787) 8.293 6.823 ( 3.880 2.988 3.231) 5.867 6.967 ( 0.866 0.417 1.468) 1.755 7.281 ( -9.413 -11.797 3.948) 15.600 7.528 ( -0.638 -2.012 -2.868) 3.561 7.694 ( 0.652 0.829 -8.056) 8.125 7.962 ( -0.820 5.082 5.114) 7.256 8.025 ( 6.260 -10.754 -3.654) 12.969 9.350 ( -0.234 -0.604 -3.396) 3.457 9.527 ( -10.403 -6.296 27.168) 29.765 10.085 ( -5.303 -1.462 3.153) 6.341 10.407 ( 4.444 0.181 4.112) 6.057 10.615 ( 6.506 0.899 -4.104) 7.745 10.990 ( 1.321 -1.587 0.920) 2.261 11.657 ( -4.864 -2.690 -3.165) 6.396 11.860 ( 1.727 0.072 -0.061) 1.729 11.890 ( 0.653 -0.492 -16.025) 16.045 12.902 ( 10.358 15.122 -8.257) 20.103 13.053 ( 1.838 7.617 -2.694) 8.286 13.977 ( -8.847 -10.998 -2.664) 14.364 ======================= Grid point 2 (3/275) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 16.028 -13.075 6.727) 21.751 1.107 ( 13.319 -29.440 -2.972) 32.449 1.727 ( 40.783 -6.153 0.491) 41.247 2.320 ( 0.205 1.832 3.024) 3.541 2.533 ( -4.034 0.449 -0.214) 4.064 3.290 ( -6.875 8.476 -3.291) 11.399 3.307 ( -2.198 -1.863 -3.070) 4.211 3.760 ( -2.753 14.488 -4.158) 15.323 4.539 ( -5.049 7.387 17.227) 19.412 4.756 ( -5.897 -2.590 0.011) 6.441 5.022 ( -8.711 -0.834 1.111) 8.821 5.603 ( 4.322 -4.413 9.223) 11.100 5.892 ( 10.621 7.914 -11.094) 17.277 6.096 ( 4.793 -0.867 -13.610) 14.455 6.866 ( 5.143 3.624 -3.120) 7.023 6.973 ( -0.438 0.858 5.540) 5.623 7.283 ( -2.707 -5.394 2.993) 6.736 7.518 ( -0.765 -0.084 -3.844) 3.920 7.691 ( 0.414 -0.310 -0.907) 1.044 7.886 ( -3.200 4.511 4.002) 6.826 8.288 ( 11.630 -11.261 -2.876) 16.442 9.334 ( -1.382 -0.578 -2.810) 3.184 9.529 ( 2.823 4.296 13.740) 14.670 9.953 ( -9.947 2.745 5.605) 11.743 10.536 ( 0.942 -8.662 3.140) 9.262 10.739 ( 13.508 2.380 -1.758) 13.829 11.042 ( 1.647 -2.474 2.120) 3.650 11.574 ( -8.260 -4.281 -5.518) 10.817 11.848 ( -1.984 -0.542 -11.897) 12.074 11.903 ( 3.677 -0.213 -1.122) 3.850 12.865 ( -8.174 -4.040 6.714) 11.323 12.980 ( 9.636 18.760 -8.220) 22.635 13.931 ( -6.636 -4.827 -0.976) 8.264 ======================= Grid point 3 (4/275) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 14.643 -11.085 4.322) 18.867 1.600 ( 10.372 -26.195 -2.487) 28.283 2.107 ( 4.896 8.274 3.914) 10.381 2.454 ( -0.962 0.181 2.006) 2.232 2.557 ( 20.436 -7.302 -2.437) 21.838 3.042 ( -7.516 7.431 -4.119) 11.344 3.224 ( -6.509 5.595 -1.070) 8.649 3.622 ( 3.342 8.389 -6.033) 10.860 4.397 ( -9.062 3.407 11.484) 15.020 4.723 ( -1.390 -0.713 1.688) 2.300 4.865 ( -10.357 -0.033 0.222) 10.360 5.767 ( 5.050 -5.649 13.269) 15.280 5.925 ( 5.092 5.153 -5.810) 9.287 6.141 ( 5.347 0.718 -18.804) 19.563 6.866 ( -0.621 1.751 -3.523) 3.983 6.983 ( 2.428 2.759 5.895) 6.947 7.322 ( 0.362 -3.632 1.693) 4.024 7.492 ( -0.738 0.721 -2.572) 2.771 7.696 ( -0.607 -0.941 -0.005) 1.120 7.796 ( -3.284 3.839 3.983) 6.433 8.603 ( 12.856 -10.683 -3.831) 17.149 9.313 ( -0.880 -0.076 -0.739) 1.151 9.561 ( 3.391 8.303 5.754) 10.656 9.791 ( -6.763 1.082 7.287) 10.001 10.593 ( -2.805 -5.219 0.340) 5.935 10.980 ( 16.520 2.791 1.145) 16.794 11.108 ( 1.288 -5.084 4.591) 6.970 11.467 ( -8.298 -4.404 -5.809) 11.045 11.772 ( -4.143 -0.242 -10.672) 11.450 11.979 ( 5.380 -0.848 -2.350) 5.932 12.743 ( -13.835 -3.894 8.571) 16.734 12.944 ( 10.064 14.584 -6.267) 18.795 13.868 ( -5.320 -2.379 -0.365) 5.839 ======================= Grid point 4 (5/275) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 12.106 -8.176 1.577) 14.693 1.830 ( -6.269 -1.839 -0.914) 6.597 2.181 ( 10.017 -9.014 3.165) 13.843 2.421 ( -1.432 0.523 -0.026) 1.525 2.605 ( -8.994 10.082 -2.664) 13.770 3.062 ( -2.597 3.496 -0.229) 4.361 3.150 ( 14.355 -3.180 -1.701) 14.801 3.578 ( -1.628 2.945 -2.072) 3.952 4.273 ( -4.500 1.154 4.135) 6.219 4.681 ( -4.004 0.925 1.004) 4.230 4.763 ( -1.651 -0.741 0.026) 1.810 5.918 ( -0.950 -4.679 3.664) 6.018 5.938 ( 5.357 2.865 6.258) 8.721 6.139 ( 1.778 1.685 -14.615) 14.819 6.824 ( -1.536 0.396 -0.204) 1.600 7.006 ( 1.680 1.578 1.577) 2.793 7.364 ( 0.420 -1.651 0.597) 1.805 7.472 ( -0.156 0.506 -0.919) 1.061 7.691 ( -0.859 -0.585 -0.252) 1.069 7.734 ( -1.125 1.766 1.972) 2.877 8.871 ( 7.702 -6.339 -2.827) 10.368 9.303 ( -0.366 0.112 0.404) 0.556 9.454 ( -4.074 5.894 2.208) 7.497 9.784 ( 1.472 0.044 3.324) 3.635 10.587 ( -1.848 -1.748 -0.095) 2.545 11.098 ( 3.146 2.003 0.410) 3.752 11.267 ( 6.907 -2.633 4.234) 8.518 11.392 ( -3.769 -2.825 -2.021) 5.126 11.672 ( -4.067 0.364 -6.592) 7.754 12.067 ( 3.950 -0.849 -2.012) 4.514 12.594 ( -7.290 -0.185 4.097) 8.364 12.943 ( 3.513 4.690 -1.854) 6.146 13.820 ( -2.177 -0.747 -0.086) 2.304 ======================= Grid point 10 (6/275) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 19.107 0.000 -2.035) 19.215 0.794 ( 23.066 0.000 0.327) 23.068 1.679 ( 47.447 0.000 2.802) 47.530 2.351 ( -0.596 -0.000 2.848) 2.910 2.533 ( -5.250 -0.000 0.043) 5.250 3.269 ( 0.755 0.000 -4.021) 4.091 3.407 ( -13.049 -0.000 -3.312) 13.463 3.940 ( -0.798 -0.000 -4.504) 4.574 4.634 ( -11.647 -0.000 13.692) 17.976 4.750 ( -5.078 -0.000 10.675) 11.821 4.964 ( -9.315 -0.000 -0.342) 9.321 5.539 ( 3.355 0.000 7.934) 8.614 6.061 ( 4.177 0.000 -8.489) 9.461 6.122 ( 13.183 0.000 -26.835) 29.898 6.891 ( -6.153 -0.000 2.066) 6.490 6.956 ( 6.543 0.000 7.720) 10.120 7.126 ( -1.461 -0.000 -2.255) 2.686 7.469 ( -3.975 -0.000 5.691) 6.942 7.827 ( 8.425 0.000 -5.742) 10.196 7.938 ( -1.557 -0.000 -5.605) 5.818 8.122 ( 9.852 0.000 5.546) 11.306 9.324 ( -0.663 -0.000 -0.781) 1.025 9.590 ( 6.315 0.000 14.946) 16.226 9.993 ( -8.055 -0.000 6.734) 10.499 10.422 ( 1.322 0.000 3.373) 3.623 10.779 ( 12.335 0.000 -3.021) 12.699 10.964 ( -1.792 -0.000 -1.729) 2.491 11.527 ( -6.502 -0.000 -5.872) 8.761 11.841 ( -1.260 -0.000 -15.217) 15.269 11.901 ( 3.242 0.000 -0.080) 3.243 12.806 ( -11.273 -0.000 10.569) 15.453 13.313 ( 9.055 0.000 -12.551) 15.476 13.795 ( -6.133 -0.000 0.813) 6.187 ======================= Grid point 11 (7/275) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 17.079 -15.965 0.965) 23.399 1.184 ( 19.976 -6.894 -2.641) 21.297 2.263 ( 7.620 5.210 2.340) 9.522 2.439 ( -2.769 -1.257 1.235) 3.282 2.461 ( 25.319 -2.081 2.198) 25.499 3.150 ( -12.979 2.685 -5.638) 14.403 3.249 ( -3.539 -0.833 -3.793) 5.254 3.872 ( 1.461 9.464 -6.554) 11.605 4.470 ( -10.914 2.063 11.552) 16.026 4.698 ( -2.926 -0.134 6.525) 7.153 4.815 ( -12.086 -3.647 0.699) 12.644 5.649 ( 4.352 -3.613 10.296) 11.748 6.099 ( 5.624 3.437 -11.051) 12.867 6.192 ( 9.820 7.852 -20.100) 23.708 6.815 ( -7.663 -5.978 0.941) 9.764 7.042 ( 1.821 2.837 -0.158) 3.375 7.144 ( -0.530 -7.884 2.032) 8.159 7.426 ( -4.366 -1.858 5.924) 7.590 7.864 ( 0.289 5.006 -4.508) 6.743 7.907 ( 5.735 7.549 0.850) 9.518 8.375 ( 12.903 -8.815 -0.361) 15.630 9.314 ( -0.272 0.086 -1.012) 1.051 9.728 ( 9.033 5.691 7.839) 13.245 9.844 ( -9.644 2.412 8.696) 13.208 10.479 ( 0.881 -3.834 0.710) 3.998 10.924 ( -5.589 -7.723 -5.197) 10.858 11.011 ( 15.615 0.081 -0.684) 15.630 11.431 ( -4.086 -0.090 -0.211) 4.092 11.768 ( -2.821 -0.104 -14.900) 15.165 11.966 ( 4.598 -0.296 0.166) 4.610 12.656 ( -12.601 -2.196 12.948) 18.201 13.317 ( 6.998 15.843 -6.959) 18.665 13.740 ( -7.228 -8.779 -0.429) 11.380 ======================= Grid point 12 (8/275) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 14.759 -12.743 3.614) 19.831 1.561 ( 13.839 -12.831 -5.404) 19.631 2.182 ( -3.782 5.593 1.374) 6.890 2.395 ( -2.854 -2.743 0.138) 3.961 2.736 ( -6.455 3.428 -1.894) 7.550 3.128 ( 19.409 0.417 -1.905) 19.506 3.139 ( -7.874 1.199 -1.662) 8.137 3.772 ( 2.303 12.685 -4.774) 13.748 4.319 ( -6.290 2.987 6.712) 9.671 4.660 ( -9.105 -2.522 3.150) 9.959 4.702 ( -2.540 -4.257 1.340) 5.135 5.789 ( 3.009 -5.119 9.784) 11.445 6.100 ( 5.603 8.063 -8.010) 12.671 6.189 ( 3.662 4.627 -15.177) 16.284 6.768 ( -6.062 -5.704 1.402) 8.441 6.998 ( -4.996 -2.730 -4.258) 7.110 7.217 ( -3.437 -7.636 2.310) 8.687 7.415 ( 0.089 -0.775 4.572) 4.638 7.785 ( -2.292 3.510 -0.274) 4.201 7.924 ( 9.553 12.535 -2.284) 15.925 8.679 ( 11.249 -10.004 -2.016) 15.188 9.308 ( 0.055 0.330 -0.045) 0.338 9.611 ( -9.864 7.043 7.983) 14.513 9.862 ( 7.685 6.344 2.338) 10.236 10.519 ( -0.102 -3.624 -1.168) 3.809 10.899 ( -9.570 -14.490 -7.599) 18.955 11.275 ( 14.749 1.518 0.730) 14.845 11.401 ( 0.532 0.939 7.875) 7.949 11.680 ( -2.419 0.437 -14.357) 14.566 12.052 ( 4.669 -0.556 1.145) 4.839 12.519 ( -11.732 -3.542 13.051) 17.903 13.200 ( 2.049 15.348 -4.085) 16.014 13.739 ( -3.094 -6.975 -1.524) 7.781 ======================= Grid point 13 (9/275) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 7.638 -6.255 1.125) 9.936 1.744 ( 0.116 0.434 -1.914) 1.966 2.189 ( 4.592 -9.955 -3.791) 11.600 2.394 ( -0.724 -2.039 0.070) 2.165 2.499 ( -11.267 4.531 -2.013) 12.310 3.014 ( -5.619 -2.212 0.274) 6.045 3.318 ( 1.911 9.822 2.171) 10.239 3.649 ( 1.198 9.699 0.064) 9.773 4.272 ( 2.848 1.154 -2.464) 3.939 4.618 ( -0.452 -4.436 1.690) 4.769 4.728 ( -0.349 -4.005 0.850) 4.109 5.875 ( -0.143 -2.142 2.138) 3.030 6.067 ( 1.962 6.424 -13.628) 15.194 6.138 ( -1.307 3.059 6.859) 7.623 6.757 ( -3.482 -5.199 3.248) 7.050 6.937 ( -5.546 -5.674 -8.433) 11.579 7.207 ( -10.017 -10.401 4.303) 15.068 7.459 ( 4.293 1.839 0.678) 4.719 7.733 ( -0.207 1.648 -0.632) 1.777 7.934 ( 10.183 13.869 -3.266) 17.513 8.889 ( 2.400 -4.708 -0.126) 5.286 9.307 ( 0.198 0.522 0.752) 0.937 9.428 ( -5.222 3.666 5.163) 8.207 9.860 ( 1.668 6.622 -4.221) 8.028 10.577 ( 3.559 -2.582 -1.157) 4.546 10.883 ( -9.729 -14.257 -5.789) 18.205 11.317 ( -3.848 2.123 -0.339) 4.408 11.514 ( 9.094 5.178 4.219) 11.283 11.659 ( 4.877 -0.770 -4.084) 6.408 12.089 ( -2.351 1.133 5.424) 6.019 12.469 ( -4.423 -7.896 9.800) 13.340 13.061 ( 0.754 11.465 -3.798) 12.101 13.781 ( 1.196 -4.224 -1.497) 4.639 ======================= Grid point 14 (10/275) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -10.766 10.993 -2.176) 15.539 1.930 ( 1.291 -7.330 -3.729) 8.325 2.055 ( -11.696 14.093 -2.370) 18.467 2.421 ( 0.935 -2.754 -0.844) 3.028 2.591 ( 5.839 -13.682 0.370) 14.881 2.984 ( -9.752 2.259 1.958) 10.200 3.085 ( -0.393 5.674 3.798) 6.839 3.597 ( -2.239 3.624 3.928) 5.794 4.350 ( 7.524 -0.960 -10.388) 12.862 4.693 ( 1.837 -3.581 0.506) 4.056 4.816 ( 6.016 -4.261 1.227) 7.474 5.826 ( -4.973 2.106 -7.970) 9.627 5.973 ( 0.098 5.208 -8.714) 10.153 6.125 ( -4.071 0.305 20.020) 20.432 6.763 ( -5.658 -6.818 4.594) 9.980 6.915 ( -0.266 -4.568 -12.600) 13.405 7.159 ( -12.572 -12.953 6.081) 19.048 7.499 ( 3.819 3.355 -0.015) 5.083 7.746 ( 2.806 -0.819 -2.838) 4.074 7.938 ( 9.858 14.202 -3.309) 17.602 8.799 ( -10.617 6.700 5.206) 13.591 9.317 ( 1.380 0.177 0.234) 1.411 9.418 ( 0.096 -3.785 -1.452) 4.055 9.818 ( 4.154 3.314 -7.147) 8.906 10.658 ( 4.331 0.332 -0.553) 4.379 10.839 ( -11.338 -10.169 -2.956) 15.514 11.175 ( -7.631 2.998 -5.325) 9.776 11.596 ( 8.748 5.986 2.915) 10.993 11.772 ( 5.817 -0.426 3.845) 6.986 12.003 ( -6.716 1.484 6.918) 9.756 12.550 ( -6.021 -13.582 9.943) 17.876 12.990 ( 7.385 10.319 -5.272) 13.741 13.857 ( 3.666 -2.885 -0.903) 4.752 ======================= Grid point 15 (11/275) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -12.191 14.589 -4.287) 19.489 1.543 ( -27.258 9.665 -4.944) 29.340 2.016 ( 1.342 12.698 2.285) 12.972 2.387 ( -8.941 12.504 -2.117) 15.517 2.505 ( -0.440 -0.735 1.692) 1.896 3.060 ( 6.721 -12.791 2.128) 14.605 3.231 ( 5.726 -12.433 0.664) 13.704 3.526 ( -4.248 -0.789 5.496) 6.991 4.430 ( 2.680 -2.720 -13.365) 13.900 4.779 ( 6.297 -1.095 0.449) 6.407 4.969 ( 4.912 -4.664 1.067) 6.857 5.679 ( -5.124 3.416 -8.208) 10.261 5.895 ( -2.670 5.116 -0.008) 5.771 6.103 ( -3.817 -0.314 15.159) 15.636 6.747 ( -6.307 -7.174 2.639) 9.910 6.930 ( -0.578 -2.812 -9.684) 10.101 7.136 ( -9.578 -14.716 4.639) 18.161 7.514 ( 2.323 3.236 1.535) 4.269 7.813 ( 4.276 -1.947 -4.477) 6.490 7.925 ( 7.666 13.648 -1.955) 15.775 8.529 ( -10.942 10.572 5.231) 16.089 9.341 ( 0.338 0.257 5.274) 5.291 9.443 ( 2.449 -3.205 -11.774) 12.446 9.916 ( 10.445 -0.461 -5.192) 11.674 10.672 ( -11.366 -4.068 0.786) 12.097 10.711 ( -0.506 5.456 -2.237) 5.919 11.031 ( -6.757 -1.199 -4.133) 8.011 11.677 ( 6.593 4.464 2.272) 8.279 11.857 ( 3.140 0.070 3.332) 4.579 11.911 ( -4.784 0.512 4.830) 6.818 12.578 ( -12.788 -15.474 11.622) 23.196 13.047 ( 12.955 9.325 -4.701) 16.640 13.950 ( 4.466 -2.147 -0.081) 4.956 ======================= Grid point 16 (12/275) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -14.836 15.700 -7.145) 22.752 0.931 ( -29.795 12.601 -1.924) 32.408 1.613 ( -6.880 42.606 3.951) 43.338 2.288 ( -0.089 -2.818 -1.839) 3.366 2.561 ( 1.677 -3.039 -0.166) 3.475 3.224 ( -1.525 -8.051 0.952) 8.250 3.378 ( 2.953 1.390 2.122) 3.893 3.659 ( 5.282 -21.327 1.729) 22.039 4.415 ( -4.611 -3.475 -11.087) 12.500 4.906 ( 7.958 0.854 -0.276) 8.008 5.057 ( -0.543 -4.417 1.052) 4.573 5.569 ( -1.345 3.970 -4.446) 6.111 5.774 ( -5.471 4.711 3.268) 7.925 6.092 ( -0.883 1.384 7.491) 7.669 6.737 ( -3.778 -5.510 0.919) 6.744 6.905 ( -3.936 -4.455 -3.645) 6.974 7.193 ( -3.096 -13.087 -0.020) 13.448 7.520 ( 1.195 1.882 2.840) 3.611 7.878 ( 2.833 6.555 1.683) 7.336 7.881 ( 2.919 2.621 -5.431) 6.700 8.291 ( -3.808 12.142 3.470) 13.190 9.338 ( -1.684 -0.795 3.095) 3.612 9.573 ( 15.015 -1.395 -12.268) 19.440 10.085 ( 9.500 -0.717 -2.640) 9.886 10.433 ( -15.876 0.728 -0.544) 15.902 10.678 ( 1.339 6.417 0.290) 6.562 10.948 ( -6.773 -4.486 -1.160) 8.207 11.707 ( 0.516 1.638 1.663) 2.391 11.859 ( -1.364 -0.087 -1.166) 1.797 11.902 ( 1.012 0.563 4.578) 4.723 12.553 ( -12.226 -12.530 10.198) 20.260 13.137 ( 9.443 7.500 -2.274) 12.272 14.045 ( 4.444 -1.801 0.820) 4.864 ======================= Grid point 17 (13/275) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.312 ( -0.000 15.443 -0.000) 15.443 0.507 ( -0.000 23.099 -0.000) 23.099 1.057 ( -0.000 48.373 -0.000) 48.373 2.322 ( 0.000 -2.955 0.000) 2.955 2.602 ( 0.000 -1.703 0.000) 1.703 3.240 ( 0.000 -1.897 0.000) 1.897 3.398 ( 0.000 -0.280 0.000) 0.280 3.994 ( 0.000 -23.143 0.000) 23.143 4.322 ( -0.000 1.089 -0.000) 1.089 4.964 ( -0.000 3.510 -0.000) 3.510 5.078 ( 0.000 -3.677 0.000) 3.677 5.514 ( -0.000 3.895 -0.000) 3.895 5.668 ( -0.000 4.986 -0.000) 4.986 6.075 ( -0.000 2.418 -0.000) 2.418 6.754 ( 0.000 -3.467 0.000) 3.467 6.912 ( 0.000 -4.219 0.000) 4.219 7.305 ( 0.000 -11.554 0.000) 11.554 7.522 ( -0.000 0.611 -0.000) 0.611 7.847 ( -0.000 2.001 -0.000) 2.001 7.875 ( -0.000 2.323 -0.000) 2.323 8.152 ( -0.000 11.833 -0.000) 11.833 9.337 ( 0.000 -1.080 0.000) 1.080 9.839 ( 0.000 -7.470 0.000) 7.470 10.170 ( -0.000 2.879 -0.000) 2.879 10.201 ( -0.000 2.507 -0.000) 2.507 10.620 ( -0.000 5.429 -0.000) 5.429 10.921 ( 0.000 -4.158 0.000) 4.158 11.691 ( -0.000 0.322 -0.000) 0.322 11.848 ( -0.000 0.049 -0.000) 0.049 11.911 ( -0.000 0.391 -0.000) 0.391 12.531 ( 0.000 -5.493 0.000) 5.493 13.149 ( -0.000 5.537 -0.000) 5.537 14.124 ( 0.000 -2.789 0.000) 2.789 ======================= Grid point 20 (14/275) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 19.242 0.000 -0.856) 19.261 1.450 ( 16.750 0.000 -2.797) 16.982 2.299 ( -8.075 -0.000 -1.904) 8.296 2.316 ( -0.760 -0.000 2.966) 3.062 2.776 ( -5.937 -0.000 -0.366) 5.948 3.136 ( 21.170 0.000 -1.669) 21.235 3.140 ( -8.378 -0.000 -3.838) 9.215 3.946 ( 3.125 0.000 -8.112) 8.693 4.371 ( -5.674 -0.000 11.641) 12.950 4.600 ( -10.625 -0.000 -1.975) 10.807 4.649 ( -4.797 -0.000 6.111) 7.769 5.729 ( 4.425 0.000 9.890) 10.835 6.153 ( 4.384 0.000 -17.951) 18.478 6.353 ( 7.934 0.000 -15.147) 17.099 6.628 ( -10.134 -0.000 9.159) 13.660 6.951 ( -9.415 -0.000 -3.004) 9.883 7.143 ( -1.302 -0.000 -0.882) 1.573 7.412 ( 2.666 0.000 4.060) 4.857 7.831 ( -3.247 -0.000 -1.112) 3.432 8.096 ( 8.431 0.000 -0.529) 8.447 8.534 ( 13.021 0.000 -1.476) 13.105 9.313 ( 0.217 0.000 -0.397) 0.453 9.700 ( -11.267 -0.000 10.200) 15.199 9.962 ( 11.220 0.000 2.829) 11.571 10.483 ( 1.077 0.000 -0.383) 1.143 10.685 ( -11.491 -0.000 -12.036) 16.640 11.296 ( 17.375 0.000 1.247) 17.420 11.405 ( -1.927 -0.000 8.053) 8.280 11.686 ( -1.382 -0.000 -16.680) 16.737 12.046 ( 4.764 0.000 2.478) 5.370 12.481 ( -12.262 -0.000 14.749) 19.180 13.515 ( -10.215 -0.000 0.390) 10.223 13.524 ( 6.838 0.000 -5.825) 8.983 ======================= Grid point 21 (15/275) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 15.129 -8.048 1.159) 17.175 1.681 ( 10.246 -2.738 -4.846) 11.660 2.145 ( -5.615 3.095 -3.446) 7.279 2.323 ( -2.247 -3.467 -0.541) 4.166 2.595 ( -9.271 2.891 0.644) 9.733 2.963 ( -12.438 -1.869 -2.913) 12.910 3.450 ( 12.918 2.663 2.124) 13.360 3.914 ( 0.648 9.745 -3.835) 10.493 4.338 ( 2.283 5.477 2.268) 6.353 4.511 ( -2.299 -5.632 1.497) 6.265 4.607 ( -4.335 -5.486 1.791) 7.218 5.829 ( 3.497 -1.481 7.398) 8.316 6.130 ( -0.843 0.882 -21.606) 21.640 6.327 ( 1.474 11.821 2.550) 12.183 6.603 ( -3.960 -9.878 5.456) 11.959 6.784 ( -12.381 -5.089 -3.257) 13.776 7.075 ( -7.028 -2.398 -2.249) 7.759 7.493 ( 6.102 0.953 -0.834) 6.232 7.774 ( -1.828 1.428 -1.581) 2.807 8.183 ( 8.258 7.577 -0.426) 11.215 8.753 ( 8.803 -5.430 -1.199) 10.412 9.318 ( 0.412 0.317 1.163) 1.273 9.540 ( -7.753 4.368 8.713) 12.454 10.027 ( 0.130 6.991 -4.831) 8.499 10.506 ( 3.231 -2.771 -2.220) 4.800 10.583 ( -6.355 -10.734 -6.347) 13.996 11.364 ( -4.376 1.725 4.899) 6.792 11.557 ( 12.726 -0.427 1.728) 12.850 11.659 ( 3.966 0.678 -12.620) 13.246 12.110 ( 0.276 0.581 7.087) 7.116 12.346 ( -10.302 -3.011 15.173) 18.586 13.311 ( -3.444 9.625 -2.064) 10.429 13.656 ( 3.567 -6.257 -3.351) 7.944 ======================= Grid point 22 (16/275) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -3.464 4.312 -0.207) 5.535 1.800 ( 2.899 -4.083 -4.249) 6.567 2.140 ( 4.027 -6.960 -4.543) 9.236 2.315 ( -2.714 -5.985 -3.633) 7.508 2.424 ( -5.389 6.207 2.189) 8.506 2.840 ( -7.273 -8.585 0.648) 11.270 3.465 ( -0.913 13.740 5.263) 14.742 3.750 ( -3.539 12.304 1.347) 12.874 4.355 ( 5.518 1.489 -10.071) 11.580 4.593 ( 1.532 -5.059 2.137) 5.702 4.682 ( 4.569 -8.140 1.670) 9.483 5.882 ( 0.345 2.242 -2.402) 3.303 6.016 ( -4.162 -0.291 -10.895) 11.666 6.228 ( -2.715 8.609 10.281) 13.682 6.615 ( -8.074 -5.953 3.627) 10.667 6.724 ( -4.403 -12.501 -1.833) 13.380 6.974 ( -8.505 -3.939 -3.614) 10.046 7.566 ( 5.415 2.342 -3.115) 6.672 7.749 ( 1.238 0.667 -2.887) 3.212 8.212 ( 7.634 10.365 -1.136) 12.923 8.855 ( -2.911 -1.269 3.174) 4.490 9.325 ( 0.795 0.653 2.201) 2.430 9.438 ( 0.368 5.212 2.340) 5.725 9.899 ( -2.836 2.867 -7.915) 8.883 10.583 ( -5.504 -8.636 -3.267) 10.750 10.635 ( 5.244 -4.646 -0.782) 7.049 11.248 ( -6.686 3.268 -1.995) 7.704 11.694 ( 7.445 2.974 -3.201) 8.632 11.751 ( 7.413 -1.366 -3.899) 8.487 12.043 ( -8.291 2.138 12.007) 14.747 12.307 ( -8.792 -8.563 15.095) 19.455 13.217 ( 5.839 9.644 -3.472) 11.796 13.766 ( 3.645 -4.982 -2.147) 6.536 ======================= Grid point 23 (17/275) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -9.726 12.422 -3.622) 16.187 1.687 ( -17.476 4.913 -4.335) 18.664 2.128 ( 1.392 3.099 -0.086) 3.398 2.383 ( -0.840 -5.463 -1.306) 5.680 2.528 ( 7.086 -16.272 -1.541) 17.815 2.881 ( -0.680 -6.524 2.169) 6.908 3.219 ( -2.639 21.935 4.738) 22.595 3.595 ( -4.744 5.288 3.264) 7.818 4.398 ( 2.924 -0.749 -11.418) 11.810 4.705 ( 5.229 -5.882 -0.357) 7.878 4.854 ( 5.220 -5.590 1.750) 7.846 5.762 ( -5.177 3.877 -8.767) 10.894 5.991 ( 0.624 2.087 -5.543) 5.956 6.113 ( -6.217 2.641 15.908) 17.283 6.578 ( -6.142 -7.834 1.691) 10.098 6.805 ( -4.843 -13.385 4.886) 15.050 6.873 ( -6.126 -3.448 -8.005) 10.653 7.597 ( 3.429 3.767 -2.273) 5.577 7.788 ( 4.421 -0.795 -4.240) 6.177 8.197 ( 4.707 11.199 -0.627) 12.165 8.720 ( -9.146 6.460 5.643) 12.539 9.351 ( 1.268 0.357 4.961) 5.133 9.420 ( 3.268 2.302 -7.357) 8.373 9.908 ( 6.788 -1.547 -5.567) 8.914 10.545 ( -8.976 -6.674 -0.946) 11.225 10.742 ( 3.501 -1.461 0.240) 3.801 11.078 ( -7.315 4.882 -4.254) 9.769 11.753 ( 3.280 2.519 -1.677) 4.462 11.844 ( 3.798 -1.247 -7.113) 8.160 11.925 ( -6.204 0.819 11.060) 12.708 12.296 ( -9.757 -10.531 16.128) 21.592 13.253 ( 10.789 9.178 -2.720) 14.423 13.871 ( 3.445 -4.617 -1.115) 5.868 ======================= Grid point 24 (18/275) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -20.052 13.954 -6.326) 25.235 1.278 ( -11.067 17.196 0.239) 20.451 2.173 ( 3.433 -0.930 0.103) 3.558 2.447 ( 0.728 -5.459 -1.756) 5.780 2.522 ( -3.326 26.508 1.615) 26.765 3.012 ( 3.824 -11.997 1.358) 12.665 3.149 ( 1.619 -12.485 0.644) 12.606 3.493 ( -2.999 3.310 2.735) 5.237 4.393 ( -0.619 0.276 -7.622) 7.652 4.866 ( 6.678 -4.748 -1.176) 8.278 4.962 ( 1.103 -4.234 1.427) 4.602 5.647 ( -2.016 2.808 -4.456) 5.640 5.890 ( -4.756 5.113 -0.619) 7.010 6.103 ( 0.376 -0.050 8.025) 8.034 6.588 ( -3.419 -7.814 0.833) 8.570 6.782 ( -8.078 -7.649 -0.216) 11.127 6.913 ( -0.221 -10.300 -1.906) 10.477 7.591 ( 1.787 4.091 -0.840) 4.543 7.866 ( 4.749 -0.770 -3.993) 6.252 8.108 ( -1.111 10.888 1.918) 11.111 8.526 ( -4.128 9.388 2.621) 10.585 9.343 ( -1.073 1.550 2.587) 3.201 9.517 ( 9.759 -3.023 -6.656) 12.193 10.063 ( 9.367 -2.000 -3.118) 10.073 10.423 ( -10.892 -1.215 0.241) 10.963 10.781 ( 0.079 -0.434 1.852) 1.904 10.905 ( -6.007 4.301 -3.459) 8.158 11.723 ( -4.126 -0.483 1.622) 4.460 11.856 ( -0.044 -0.170 -4.054) 4.058 11.914 ( 1.334 0.574 1.748) 2.273 12.319 ( -5.353 -9.506 11.373) 15.760 13.313 ( 7.909 8.322 -1.174) 11.540 13.968 ( 2.452 -4.639 -0.263) 5.254 ======================= Grid point 25 (19/275) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -0.000 18.198 -0.000) 18.198 0.985 ( -0.000 21.031 -0.000) 21.031 2.062 ( -0.000 44.060 -0.000) 44.060 2.245 ( 0.000 -3.959 0.000) 3.959 2.525 ( 0.000 -5.773 0.000) 5.773 3.129 ( 0.000 -7.759 0.000) 7.759 3.431 ( 0.000 -26.801 0.000) 26.801 3.435 ( -0.000 3.212 -0.000) 3.212 4.354 ( -0.000 1.762 -0.000) 1.762 4.977 ( 0.000 -2.621 0.000) 2.621 4.999 ( 0.000 -3.262 0.000) 3.262 5.600 ( -0.000 3.275 -0.000) 3.275 5.786 ( -0.000 5.410 -0.000) 5.410 6.115 ( -0.000 1.075 -0.000) 1.075 6.641 ( 0.000 -6.943 0.000) 6.943 6.789 ( 0.000 -6.839 0.000) 6.839 7.029 ( 0.000 -12.417 0.000) 12.417 7.565 ( -0.000 3.326 -0.000) 3.326 7.911 ( -0.000 0.483 -0.000) 0.483 7.976 ( -0.000 9.211 -0.000) 9.211 8.397 ( -0.000 10.432 -0.000) 10.432 9.325 ( -0.000 0.405 -0.000) 0.405 9.684 ( 0.000 -6.848 0.000) 6.848 10.176 ( 0.000 -1.841 0.000) 1.841 10.278 ( -0.000 4.174 -0.000) 4.174 10.775 ( -0.000 8.041 -0.000) 8.041 10.810 ( 0.000 -5.353 0.000) 5.353 11.691 ( 0.000 -0.656 0.000) 0.656 11.849 ( -0.000 0.089 -0.000) 0.089 11.922 ( -0.000 0.588 -0.000) 0.588 12.381 ( 0.000 -7.889 0.000) 7.889 13.296 ( -0.000 7.627 -0.000) 7.627 14.041 ( 0.000 -4.650 0.000) 4.650 ======================= Grid point 30 (20/275) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 7.639 0.000 2.042) 7.907 1.765 ( 3.369 0.000 -6.416) 7.246 2.089 ( 0.065 0.000 -5.166) 5.166 2.229 ( -5.017 -0.000 -3.644) 6.200 2.575 ( 1.993 0.000 5.879) 6.208 2.682 ( -18.468 -0.000 -3.336) 18.767 3.582 ( 1.421 0.000 4.571) 4.787 3.972 ( 0.646 0.000 -0.234) 0.686 4.424 ( 2.128 0.000 -9.719) 9.949 4.465 ( -6.427 -0.000 -0.322) 6.435 4.566 ( 11.097 0.000 5.772) 12.508 5.904 ( 4.324 0.000 5.248) 6.800 6.012 ( -7.272 -0.000 -17.479) 18.932 6.432 ( -9.110 -0.000 5.513) 10.648 6.473 ( 0.664 0.000 4.303) 4.354 6.545 ( -9.394 -0.000 2.698) 9.774 6.936 ( -6.760 -0.000 -7.222) 9.892 7.592 ( 5.899 0.000 -3.910) 7.077 7.758 ( 0.165 0.000 -3.496) 3.500 8.337 ( 5.905 0.000 -0.215) 5.909 8.820 ( 1.656 0.000 2.239) 2.785 9.333 ( 0.520 0.000 3.479) 3.517 9.534 ( 2.418 0.000 4.720) 5.303 9.915 ( -12.260 -0.000 -10.591) 16.201 10.477 ( -1.400 -0.000 -0.590) 1.519 10.579 ( 7.841 0.000 -2.413) 8.204 11.289 ( -5.985 -0.000 -0.352) 5.995 11.724 ( 8.163 0.000 -4.779) 9.459 11.733 ( 7.208 0.000 -9.014) 11.542 12.078 ( -9.031 -0.000 14.005) 16.664 12.203 ( -9.708 -0.000 17.960) 20.416 13.342 ( 3.363 0.000 -2.519) 4.202 13.692 ( 4.970 0.000 -2.914) 5.761 ======================= Grid point 31 (21/275) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -5.858 5.984 -1.614) 8.528 1.755 ( -2.523 1.166 -4.967) 5.692 2.152 ( 1.302 -1.908 -1.107) 2.561 2.222 ( 4.353 -8.665 -3.086) 10.176 2.331 ( -15.232 2.748 -2.119) 15.622 2.703 ( 3.045 -7.004 4.055) 8.647 3.564 ( -1.340 4.099 4.944) 6.561 3.881 ( -0.632 19.837 2.816) 20.045 4.377 ( -0.228 -2.273 -7.198) 7.552 4.508 ( 1.089 -10.386 -5.377) 11.746 4.766 ( 9.070 -1.983 2.092) 9.517 5.825 ( -8.392 1.600 -10.545) 13.571 5.996 ( 4.659 -0.376 1.386) 4.876 6.198 ( -12.409 3.334 2.966) 13.187 6.461 ( -4.101 -1.482 5.952) 7.379 6.556 ( -3.784 -8.701 8.882) 12.996 6.826 ( -4.253 -1.155 -10.690) 11.563 7.658 ( 4.451 1.657 -3.944) 6.174 7.772 ( 2.756 -0.588 -4.545) 5.348 8.383 ( 3.503 5.155 -0.907) 6.298 8.791 ( -5.783 0.773 5.642) 8.116 9.354 ( 0.795 0.094 5.891) 5.945 9.562 ( 2.568 10.043 -4.989) 11.504 9.793 ( 0.285 -9.269 -6.031) 11.062 10.447 ( -3.987 -1.902 -0.216) 4.423 10.708 ( 6.456 -1.071 -0.231) 6.548 11.173 ( -5.816 2.850 -3.568) 7.394 11.774 ( -1.557 -0.611 -8.871) 9.027 11.821 ( 5.876 -0.247 -11.767) 13.155 11.943 ( -8.105 0.617 17.917) 19.675 12.140 ( -7.063 -3.743 19.726) 21.284 13.414 ( 8.588 4.818 -2.064) 10.061 13.777 ( 3.705 -3.239 -1.691) 5.204 ======================= Grid point 32 (22/275) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -12.072 14.901 -4.047) 19.600 1.604 ( -5.075 11.839 -0.573) 12.893 2.117 ( -2.540 -3.008 -0.964) 4.053 2.254 ( -2.554 -10.192 -1.200) 10.575 2.465 ( 5.952 -15.712 -0.688) 16.816 2.836 ( 2.805 -6.872 2.083) 7.709 3.476 ( 1.247 20.199 3.826) 20.596 3.601 ( -5.225 14.714 0.798) 15.634 4.400 ( 1.692 -0.197 -5.841) 6.084 4.666 ( 2.496 -14.145 -2.292) 14.546 4.896 ( 4.022 -1.741 0.724) 4.442 5.679 ( -4.994 0.324 -4.860) 6.976 5.979 ( -5.946 3.128 -2.394) 7.132 6.101 ( 2.263 -0.239 5.817) 6.246 6.440 ( -3.982 -4.742 3.757) 7.243 6.590 ( -5.307 -8.176 5.727) 11.305 6.784 ( -0.603 -3.197 -7.596) 8.263 7.675 ( 2.134 3.396 -2.040) 4.500 7.833 ( 3.645 -2.116 -3.618) 5.554 8.333 ( -0.172 9.053 0.348) 9.061 8.679 ( -4.722 4.469 3.554) 7.410 9.388 ( 0.555 1.061 6.935) 7.038 9.482 ( 1.687 1.263 -8.690) 8.942 9.977 ( 9.479 -5.624 -3.081) 11.444 10.384 ( -6.189 -2.169 0.460) 6.574 10.778 ( 1.584 1.669 1.673) 2.845 11.030 ( -4.308 5.191 -3.581) 7.637 11.675 ( -7.986 -3.687 -0.423) 8.806 11.854 ( 1.447 -0.002 -7.309) 7.451 11.926 ( 0.631 0.547 4.202) 4.285 12.157 ( -2.519 -5.086 13.234) 14.400 13.477 ( 6.379 6.399 -0.889) 9.079 13.865 ( 2.142 -4.519 -0.712) 5.052 ======================= Grid point 33 (23/275) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -0.000 19.614 -0.000) 19.614 1.398 ( -0.000 16.950 -0.000) 16.950 2.153 ( 0.000 -4.872 0.000) 4.872 2.348 ( 0.000 -10.352 0.000) 10.352 2.671 ( 0.000 -7.428 0.000) 7.428 2.947 ( 0.000 -8.283 0.000) 8.283 3.171 ( -0.000 23.752 -0.000) 23.752 3.506 ( -0.000 2.951 -0.000) 2.951 4.393 ( -0.000 1.665 -0.000) 1.665 4.834 ( 0.000 -11.248 0.000) 11.248 4.945 ( 0.000 -1.732 0.000) 1.732 5.635 ( -0.000 0.021 -0.000) 0.021 5.886 ( -0.000 3.560 -0.000) 3.560 6.133 ( -0.000 0.893 -0.000) 0.893 6.475 ( 0.000 -7.578 0.000) 7.578 6.627 ( 0.000 -7.563 0.000) 7.563 6.824 ( 0.000 -6.336 0.000) 6.336 7.649 ( -0.000 4.033 -0.000) 4.033 7.889 ( 0.000 -2.287 0.000) 2.287 8.209 ( -0.000 11.431 -0.000) 11.431 8.586 ( -0.000 6.771 -0.000) 6.771 9.365 ( -0.000 3.138 -0.000) 3.138 9.545 ( 0.000 -5.953 0.000) 5.953 10.115 ( 0.000 -3.318 0.000) 3.318 10.334 ( 0.000 -0.387 0.000) 0.387 10.751 ( -0.000 1.453 -0.000) 1.453 10.933 ( -0.000 6.101 -0.000) 6.101 11.648 ( 0.000 -3.618 0.000) 3.618 11.851 ( -0.000 0.098 -0.000) 0.098 11.934 ( -0.000 0.506 -0.000) 0.506 12.218 ( 0.000 -6.506 0.000) 6.506 13.459 ( -0.000 7.088 -0.000) 7.088 13.934 ( 0.000 -5.043 0.000) 5.043 ======================= Grid point 40 (24/275) ======================= q-point: ( 0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -4.779 -0.000 -0.991) 4.880 1.713 ( -1.785 -0.000 -3.847) 4.241 2.063 ( -13.153 -0.000 -1.349) 13.222 2.116 ( -1.239 -0.000 -0.676) 1.411 2.275 ( 5.554 0.000 -0.975) 5.639 2.751 ( 3.958 0.000 2.675) 4.777 3.565 ( -1.359 -0.000 2.660) 2.987 4.123 ( 6.670 0.000 5.721) 8.787 4.241 ( -4.821 -0.000 -1.216) 4.972 4.450 ( 0.271 0.000 -10.587) 10.591 4.879 ( 4.955 0.000 0.389) 4.970 5.679 ( -6.406 -0.000 -5.293) 8.310 6.017 ( -9.283 -0.000 -0.131) 9.284 6.093 ( 6.114 0.000 -0.485) 6.133 6.401 ( -6.986 -0.000 11.125) 13.136 6.487 ( -0.720 -0.000 2.730) 2.823 6.750 ( -1.363 -0.000 -7.858) 7.976 7.720 ( 2.761 0.000 -2.571) 3.773 7.799 ( 2.419 0.000 -3.513) 4.265 8.443 ( 1.134 0.000 -1.142) 1.609 8.722 ( -4.644 -0.000 4.563) 6.511 9.385 ( 0.857 0.000 8.766) 8.808 9.531 ( -5.958 -0.000 -10.345) 11.939 9.890 ( 14.537 0.000 -2.309) 14.719 10.356 ( -6.777 -0.000 1.021) 6.854 10.810 ( 5.680 0.000 1.193) 5.804 11.093 ( -4.883 -0.000 -3.756) 6.161 11.618 ( -9.642 -0.000 -1.591) 9.772 11.854 ( 1.676 0.000 -8.077) 8.249 11.933 ( -0.029 -0.000 6.277) 6.277 12.103 ( -1.535 -0.000 13.116) 13.206 13.557 ( 5.741 0.000 -0.898) 5.811 13.805 ( 2.187 0.000 -0.807) 2.331 ======================= Grid point 42 (25/275) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -0.000 16.364 -0.000) 16.364 1.674 ( -0.000 6.365 -0.000) 6.365 2.006 ( 0.000 -8.378 0.000) 8.378 2.141 ( 0.000 -6.264 0.000) 6.264 2.373 ( 0.000 -9.492 0.000) 9.492 2.809 ( 0.000 -3.687 0.000) 3.687 3.551 ( -0.000 1.108 -0.000) 1.108 3.877 ( -0.000 32.240 -0.000) 32.240 4.419 ( -0.000 0.699 -0.000) 0.699 4.472 ( 0.000 -22.449 0.000) 22.449 4.922 ( 0.000 -0.503 0.000) 0.503 5.621 ( 0.000 -0.671 0.000) 0.671 5.933 ( -0.000 0.938 -0.000) 0.938 6.153 ( -0.000 0.719 -0.000) 0.719 6.357 ( 0.000 -2.823 0.000) 2.823 6.503 ( 0.000 -3.280 0.000) 3.280 6.739 ( 0.000 -1.877 0.000) 1.877 7.724 ( -0.000 2.581 -0.000) 2.581 7.831 ( 0.000 -2.414 0.000) 2.414 8.415 ( -0.000 6.159 -0.000) 6.159 8.678 ( -0.000 1.847 -0.000) 1.847 9.434 ( -0.000 2.356 -0.000) 2.356 9.442 ( 0.000 -2.934 0.000) 2.934 10.057 ( 0.000 -1.619 0.000) 1.619 10.280 ( 0.000 -2.586 0.000) 2.586 10.844 ( -0.000 4.382 -0.000) 4.382 11.024 ( -0.000 2.193 -0.000) 2.193 11.552 ( 0.000 -3.843 0.000) 3.843 11.853 ( -0.000 0.046 -0.000) 0.046 11.942 ( -0.000 0.197 -0.000) 0.197 12.124 ( 0.000 -2.111 0.000) 2.111 13.583 ( -0.000 3.791 -0.000) 3.791 13.840 ( 0.000 -3.085 0.000) 3.085 ======================= Grid point 83 (26/275) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -5.532 -0.000 21.457) 22.158 0.486 ( 5.612 0.000 23.751) 24.405 0.965 ( -8.495 -0.000 46.831) 47.595 2.771 ( -12.724 -0.000 9.605) 15.943 2.798 ( -2.443 -0.000 16.838) 17.014 3.231 ( -2.840 -0.000 -1.591) 3.255 3.489 ( 12.584 0.000 -3.775) 13.138 3.958 ( -2.070 -0.000 -1.853) 2.778 4.465 ( 31.873 0.000 1.448) 31.906 4.882 ( 0.549 0.000 -0.629) 0.834 5.120 ( -0.015 -0.000 -0.671) 0.671 5.390 ( 5.322 0.000 -6.074) 8.076 5.879 ( -2.836 -0.000 -11.734) 12.072 5.894 ( -22.629 -0.000 6.835) 23.639 7.031 ( -0.740 -0.000 5.147) 5.200 7.180 ( -1.928 -0.000 2.031) 2.800 7.242 ( 3.182 0.000 -8.247) 8.839 7.525 ( -16.736 -0.000 -4.969) 17.458 7.671 ( -0.547 -0.000 4.228) 4.264 7.702 ( 0.272 0.000 -10.885) 10.888 8.208 ( 0.394 0.000 11.068) 11.075 9.206 ( 29.949 0.000 -3.822) 30.192 9.366 ( 31.547 0.000 5.049) 31.949 10.107 ( 3.001 0.000 1.320) 3.278 10.275 ( -31.257 -0.000 4.822) 31.627 10.352 ( 7.296 0.000 -5.591) 9.192 10.632 ( -6.026 -0.000 4.826) 7.720 10.948 ( 0.723 0.000 -2.094) 2.215 11.682 ( -2.111 -0.000 -0.457) 2.160 11.778 ( 0.832 0.000 -6.397) 6.450 13.035 ( 0.196 0.000 -4.598) 4.602 13.990 ( -0.985 -0.000 9.288) 9.340 14.359 ( -24.479 -0.000 1.650) 24.535 ======================= Grid point 84 (27/275) ======================= q-point: ( 0.11 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 6.324 -25.139 11.268) 28.266 0.888 ( 16.431 -7.856 22.020) 28.576 1.238 ( 24.547 -6.976 31.628) 40.640 2.589 ( -6.634 4.477 17.520) 19.261 2.777 ( -5.936 0.227 16.188) 17.243 3.204 ( -0.184 -1.280 -3.005) 3.271 3.441 ( -6.458 6.926 -6.540) 11.509 3.875 ( -4.299 6.580 -4.637) 9.126 4.805 ( 1.614 3.157 -2.114) 4.128 4.897 ( 6.553 7.935 1.413) 10.387 5.082 ( -0.384 0.887 -3.348) 3.485 5.484 ( 6.606 -3.116 -4.321) 8.486 5.653 ( -5.377 -1.992 5.629) 8.036 5.824 ( -1.416 -1.872 -14.040) 14.235 6.958 ( -1.670 13.262 6.331) 14.790 7.047 ( 1.611 0.995 3.121) 3.650 7.282 ( 6.412 3.024 -10.503) 12.672 7.394 ( -12.171 -15.834 2.195) 20.091 7.680 ( 2.847 1.529 -5.952) 6.772 7.894 ( 2.163 -10.935 4.127) 11.886 8.230 ( 3.260 3.527 11.440) 12.408 9.238 ( 0.104 0.378 -7.270) 7.281 9.937 ( -11.375 4.198 14.469) 18.877 10.144 ( 0.442 0.374 1.338) 1.458 10.361 ( 31.807 -3.210 -18.441) 36.906 10.559 ( 8.410 -3.955 -8.756) 12.769 10.621 ( 10.989 -16.702 -16.601) 25.986 10.974 ( 0.683 -3.307 -2.731) 4.343 11.657 ( 0.572 1.239 -2.522) 2.868 11.795 ( 1.912 -1.636 -5.742) 6.269 12.989 ( -0.894 4.829 -4.678) 6.783 13.676 ( -22.310 18.874 29.760) 41.709 14.062 ( -9.974 -7.897 9.141) 15.665 ======================= Grid point 85 (28/275) ======================= q-point: ( 0.22 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 11.577 -22.899 5.346) 26.209 1.252 ( 6.657 -18.126 21.423) 28.841 1.896 ( 35.881 -3.246 15.782) 39.333 2.514 ( -3.236 3.905 14.702) 15.552 2.697 ( -7.526 0.755 14.704) 16.535 3.183 ( -7.988 6.146 -6.447) 11.965 3.246 ( -2.893 -3.086 -2.680) 5.008 3.670 ( -3.742 14.580 -4.209) 15.630 4.723 ( -9.694 -1.789 -0.698) 9.882 4.818 ( -1.611 7.581 7.226) 10.597 5.035 ( -4.012 3.239 -0.610) 5.192 5.663 ( 10.470 -0.805 -6.017) 12.103 5.691 ( 4.539 -5.172 -3.864) 7.892 5.805 ( 0.797 -3.442 -12.737) 13.218 6.864 ( 0.641 7.311 2.447) 7.736 7.088 ( 1.065 -1.975 3.798) 4.411 7.307 ( 6.455 6.538 -11.152) 14.449 7.383 ( -6.226 -7.605 5.277) 11.155 7.711 ( 1.000 -3.297 -4.856) 5.954 7.973 ( -1.647 -0.796 8.282) 8.482 8.342 ( 7.715 -3.638 6.657) 10.820 9.226 ( 0.951 0.196 -6.017) 6.094 9.812 ( -2.886 6.151 12.695) 14.398 10.065 ( -6.420 3.484 5.075) 8.894 10.585 ( -2.524 -7.014 1.498) 7.603 10.709 ( 18.574 0.077 -1.261) 18.617 10.941 ( 0.431 -17.981 -34.475) 38.885 11.041 ( 10.347 1.591 -7.981) 13.164 11.654 ( 0.944 0.878 -4.092) 4.290 11.838 ( 2.698 -1.717 -5.172) 6.081 12.887 ( -0.277 9.654 -4.736) 10.757 13.342 ( -12.044 8.043 28.040) 31.559 14.016 ( -7.297 -3.943 8.699) 12.020 ======================= Grid point 86 (29/275) ======================= q-point: ( 0.33 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 10.849 -10.899 10.579) 18.666 1.647 ( 6.036 -27.075 9.741) 29.400 2.291 ( 2.643 7.869 13.113) 15.520 2.562 ( 3.145 -1.272 7.079) 7.850 2.666 ( 7.254 -0.508 12.635) 14.578 2.948 ( -5.909 3.887 -4.143) 8.197 3.210 ( -5.341 2.931 0.009) 6.092 3.517 ( 4.290 8.228 -3.449) 9.899 4.528 ( -13.116 2.541 1.768) 13.476 4.767 ( -1.375 0.849 0.811) 1.808 4.900 ( -7.641 3.310 3.806) 9.156 5.720 ( 2.199 -0.631 -16.291) 16.451 5.777 ( 3.617 -0.674 -8.857) 9.591 5.988 ( 12.081 -8.251 3.755) 15.104 6.806 ( -0.215 5.212 -0.531) 5.244 7.127 ( -2.941 -4.979 5.618) 8.062 7.300 ( 4.808 5.612 -11.272) 13.478 7.384 ( 0.000 0.192 3.950) 3.955 7.738 ( -2.680 -5.346 -1.746) 6.230 7.939 ( -3.501 2.468 10.830) 11.647 8.564 ( 10.573 -6.436 0.381) 12.384 9.230 ( 1.656 0.326 -5.262) 5.526 9.726 ( -2.422 9.756 8.834) 13.382 9.946 ( -5.826 1.081 7.236) 9.352 10.599 ( -4.178 -5.447 0.407) 6.877 10.909 ( 0.255 -5.611 -13.953) 15.041 11.062 ( 10.859 -7.002 -13.202) 18.473 11.184 ( 10.761 -0.404 -5.195) 11.956 11.637 ( -0.997 -0.001 -3.054) 3.213 11.890 ( 3.824 -0.935 -5.828) 7.033 12.745 ( -2.022 10.972 -4.524) 12.039 13.212 ( -5.565 3.537 23.080) 24.004 13.958 ( -6.666 -2.486 8.877) 11.376 ======================= Grid point 87 (30/275) ======================= q-point: ( 0.44 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 7.701 -8.404 10.923) 15.787 1.918 ( -5.565 -3.892 8.542) 10.912 2.270 ( 1.291 -9.035 5.689) 10.754 2.545 ( -3.464 2.550 10.976) 11.789 2.578 ( -8.738 5.883 0.014) 10.534 3.079 ( -0.082 2.045 0.792) 2.194 3.158 ( 13.720 -0.672 5.139) 14.666 3.557 ( 3.895 0.549 0.443) 3.958 4.282 ( -11.782 3.176 -2.208) 12.401 4.740 ( -1.113 0.333 -2.160) 2.452 4.774 ( -4.606 2.625 6.347) 8.270 5.681 ( 0.153 1.907 -18.201) 18.301 5.832 ( 1.894 -4.180 -6.308) 7.801 6.292 ( 11.426 -7.965 9.926) 17.104 6.738 ( -1.133 4.060 -3.233) 5.312 7.119 ( -7.025 -6.117 4.224) 10.228 7.292 ( 3.101 2.492 -8.733) 9.597 7.399 ( 4.314 4.919 1.088) 6.632 7.728 ( -3.963 -3.372 0.769) 5.259 7.889 ( -4.442 -0.436 11.260) 12.113 8.784 ( 8.203 -4.636 -4.507) 10.445 9.249 ( 3.143 0.310 -4.724) 5.683 9.564 ( -5.962 9.735 7.828) 13.842 9.875 ( -6.289 -0.815 3.905) 7.448 10.583 ( -2.598 -2.954 -0.323) 3.947 10.917 ( -2.226 -8.205 -15.283) 17.489 11.179 ( 7.079 4.656 -13.077) 15.582 11.368 ( 3.742 -2.778 3.963) 6.118 11.661 ( 5.381 -2.666 1.568) 6.207 11.952 ( 5.963 0.672 -8.222) 10.179 12.575 ( -2.383 10.325 -3.704) 11.225 13.187 ( -2.987 -0.411 20.500) 20.721 13.913 ( -4.152 -1.703 9.019) 10.073 ======================= Grid point 88 (31/275) ======================= q-point: (-0.44 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -13.869 10.776 7.710) 19.181 1.975 ( 5.044 -3.124 12.210) 13.575 2.148 ( -14.927 7.687 0.068) 16.790 2.548 ( -1.121 -0.843 11.850) 11.933 2.676 ( 9.164 -14.539 3.989) 17.643 3.106 ( 3.358 -3.025 3.206) 5.542 3.203 ( -11.263 4.714 5.612) 13.437 3.631 ( 3.948 -3.742 3.191) 6.307 4.131 ( -1.745 0.859 -8.700) 8.915 4.720 ( -1.091 2.027 1.422) 2.706 4.751 ( 4.843 0.862 0.954) 5.011 5.594 ( -1.705 3.295 -16.220) 16.639 5.891 ( 0.047 -6.711 -4.932) 8.328 6.519 ( -0.011 -2.656 17.788) 17.985 6.708 ( 5.223 -1.562 -7.518) 9.287 7.059 ( -8.939 -6.082 0.139) 10.812 7.300 ( 1.447 -0.198 -5.030) 5.238 7.414 ( 5.733 8.029 -0.100) 9.866 7.704 ( -1.720 -1.366 0.441) 2.240 7.869 ( -5.255 -4.666 11.194) 13.217 8.839 ( -1.498 3.873 -5.796) 7.130 9.294 ( 1.040 0.627 -0.966) 1.552 9.444 ( 1.165 1.575 2.499) 3.175 9.757 ( -9.334 -1.074 -1.101) 9.460 10.588 ( 1.453 0.902 0.083) 1.712 10.934 ( -1.977 -7.477 -11.840) 14.143 11.126 ( -4.705 3.522 -10.139) 11.719 11.391 ( 2.871 3.775 0.211) 4.747 11.813 ( 3.427 -4.110 4.383) 6.917 12.011 ( 5.111 3.771 -6.948) 9.413 12.490 ( 7.198 6.964 -4.334) 10.913 13.221 ( -3.757 -5.645 20.988) 22.056 13.917 ( 0.015 -0.750 9.181) 9.211 ======================= Grid point 89 (32/275) ======================= q-point: (-0.33 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -15.133 13.504 8.464) 21.978 1.702 ( -17.027 17.456 6.410) 25.213 2.168 ( -0.791 -8.522 9.718) 12.950 2.551 ( -8.511 1.996 11.947) 14.804 2.713 ( -13.732 6.025 11.997) 19.204 3.105 ( 6.318 -9.110 2.160) 11.295 3.245 ( 5.350 -6.447 1.259) 8.472 3.733 ( -1.533 -8.421 4.650) 9.741 4.132 ( 4.801 -0.664 -12.831) 13.716 4.701 ( 2.314 2.801 -1.180) 3.820 4.871 ( 9.441 0.902 0.664) 9.507 5.480 ( -2.193 3.980 -13.443) 14.190 5.946 ( -2.162 -8.339 -3.938) 9.472 6.454 ( -9.251 0.687 9.534) 13.302 6.877 ( 6.193 -5.834 3.895) 9.357 6.972 ( -8.022 -4.726 -2.263) 9.582 7.304 ( -1.528 -1.281 -0.960) 2.213 7.419 ( 7.997 10.490 -1.835) 13.318 7.713 ( 0.975 -1.732 -2.734) 3.381 7.876 ( -5.286 -7.015 11.819) 14.725 8.650 ( -8.648 11.028 -1.210) 14.066 9.251 ( -2.617 0.285 -3.209) 4.151 9.512 ( -4.064 -4.769 -1.827) 6.526 9.679 ( 5.591 -0.032 -3.698) 6.703 10.582 ( 1.261 5.919 -0.846) 6.111 10.910 ( -11.546 -5.771 -5.819) 14.159 10.970 ( -1.591 1.462 -7.629) 7.930 11.402 ( 5.203 5.847 -7.657) 10.949 11.850 ( -2.547 -2.197 -3.099) 4.573 11.973 ( -0.951 5.390 -1.411) 5.652 12.640 ( 16.125 2.541 -3.142) 16.624 13.306 ( -3.826 -11.086 24.734) 27.373 13.974 ( 3.533 0.645 9.681) 10.326 ======================= Grid point 90 (33/275) ======================= q-point: (-0.22 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -14.306 14.807 11.784) 23.723 1.232 ( -21.595 14.724 8.481) 27.479 1.909 ( -34.248 11.625 18.697) 40.714 2.420 ( 1.757 -4.220 12.100) 12.935 2.704 ( 1.375 -1.012 15.292) 15.387 3.300 ( 3.653 -7.272 -2.028) 8.387 3.357 ( 2.367 0.002 1.646) 2.883 3.828 ( -1.547 -13.886 2.656) 14.223 4.200 ( 5.486 -1.206 -13.454) 14.579 4.740 ( 7.139 3.436 -1.602) 8.083 5.004 ( 7.753 1.276 -0.697) 7.888 5.382 ( -0.277 3.680 -10.624) 11.247 5.969 ( -4.774 -7.898 -4.041) 10.074 6.303 ( -13.289 -3.421 6.564) 15.211 6.904 ( -3.863 -3.293 0.635) 5.116 7.013 ( 0.667 -5.101 6.565) 8.340 7.272 ( -3.579 -1.215 1.507) 4.069 7.441 ( 10.678 12.691 -3.563) 16.964 7.740 ( 0.776 -1.927 -5.755) 6.118 7.919 ( -3.184 -8.065 12.434) 15.159 8.374 ( -8.802 11.848 2.070) 14.904 9.191 ( -2.025 1.721 -9.756) 10.112 9.433 ( -5.491 -0.953 -1.061) 5.673 9.853 ( 12.099 -1.442 -4.029) 12.834 10.467 ( -4.100 9.014 -3.569) 10.526 10.771 ( -8.570 -3.820 1.220) 9.461 10.944 ( -1.537 -1.571 -7.627) 7.937 11.346 ( -0.083 9.032 -19.053) 21.085 11.787 ( -4.970 -1.439 -6.175) 8.056 11.889 ( -2.418 4.203 -0.865) 4.925 12.862 ( 12.135 -0.246 -2.842) 12.466 13.498 ( 0.692 -17.166 31.148) 35.572 14.063 ( 6.120 2.223 11.479) 13.197 ======================= Grid point 91 (34/275) ======================= q-point: (-0.11 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -10.946 15.779 16.332) 25.209 0.746 ( -27.212 5.608 12.541) 30.483 1.268 ( -30.092 14.680 33.565) 47.409 2.611 ( 7.519 -10.065 18.539) 22.395 2.775 ( 0.891 -0.257 16.883) 16.908 3.302 ( -4.169 0.839 -1.046) 4.379 3.386 ( -0.535 -1.242 -3.531) 3.781 3.956 ( 1.065 -6.749 -2.010) 7.122 4.245 ( 3.348 0.149 -6.541) 7.350 4.830 ( 7.596 2.993 -1.355) 8.276 5.086 ( 3.922 0.343 -0.902) 4.039 5.349 ( 3.275 2.304 -7.912) 8.868 5.941 ( -5.313 -5.086 -6.573) 9.864 6.140 ( -15.845 -7.554 3.042) 17.815 6.954 ( 1.013 -10.057 7.292) 12.463 7.058 ( -3.220 -5.706 7.733) 10.136 7.237 ( -1.890 -0.976 -0.892) 2.307 7.470 ( 13.589 16.241 -1.686) 21.243 7.737 ( -0.984 -1.033 -8.827) 8.942 7.994 ( -0.027 0.244 6.135) 6.140 8.162 ( -7.146 1.495 4.968) 8.831 9.060 ( 0.581 17.096 -8.459) 19.083 9.362 ( -2.551 1.851 -2.512) 4.030 10.029 ( 9.166 1.182 -2.406) 9.550 10.316 ( -2.737 2.366 -4.236) 5.571 10.690 ( -8.417 -3.343 2.121) 9.302 10.874 ( -11.680 0.139 -16.591) 20.291 11.040 ( -9.753 15.139 -14.826) 23.326 11.721 ( -3.884 -1.981 -1.724) 4.689 11.811 ( -1.187 2.957 -3.941) 5.068 13.000 ( 4.659 -1.709 -4.102) 6.439 13.841 ( 2.878 -19.852 21.410) 29.339 14.237 ( 13.123 -4.013 17.093) 21.920 ======================= Grid point 93 (35/275) ======================= q-point: ( 0.11 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 13.058 0.000 11.170) 17.184 1.098 ( 10.844 0.000 23.910) 26.255 1.873 ( 40.570 0.000 16.122) 43.656 2.570 ( -3.869 -0.000 16.851) 17.289 2.697 ( -9.001 -0.000 14.216) 16.826 3.189 ( 0.223 0.000 -2.912) 2.921 3.280 ( -13.683 -0.000 -8.807) 16.272 3.843 ( -3.236 -0.000 -4.749) 5.747 4.689 ( -7.811 -0.000 -0.090) 7.812 4.955 ( -9.452 -0.000 -0.603) 9.471 5.047 ( -5.429 -0.000 8.388) 9.992 5.605 ( 8.148 0.000 -0.239) 8.151 5.676 ( 11.746 0.000 -12.338) 17.035 5.775 ( 1.243 0.000 -17.642) 17.686 7.006 ( -5.340 -0.000 7.691) 9.363 7.088 ( -2.153 -0.000 -1.600) 2.682 7.160 ( 0.132 0.000 8.350) 8.351 7.372 ( 4.297 0.000 -10.675) 11.507 7.728 ( 3.759 0.000 -11.128) 11.746 7.931 ( 5.196 0.000 10.798) 11.983 8.326 ( 3.417 0.000 10.800) 11.328 9.228 ( 0.895 0.000 -6.086) 6.152 9.898 ( -1.939 -0.000 13.482) 13.621 10.129 ( -3.658 -0.000 6.304) 7.289 10.483 ( -2.825 -0.000 2.825) 3.995 10.662 ( 4.836 0.000 -32.267) 32.627 10.723 ( 15.972 0.000 -2.375) 16.147 11.068 ( 12.859 0.000 -13.135) 18.382 11.664 ( -0.588 -0.000 -1.312) 1.437 11.818 ( 4.000 0.000 -7.655) 8.637 12.973 ( -3.414 -0.000 -3.720) 5.049 13.527 ( -13.657 -0.000 24.554) 28.096 13.919 ( -6.822 -0.000 10.755) 12.736 ======================= Grid point 94 (36/275) ======================= q-point: ( 0.22 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 14.953 -18.492 5.754) 24.467 1.358 ( 10.931 -4.032 17.611) 21.116 2.428 ( 8.627 3.968 13.057) 16.144 2.562 ( -3.472 0.768 10.704) 11.279 2.649 ( 14.588 -1.093 13.955) 20.217 3.016 ( -12.493 1.921 -7.232) 14.562 3.180 ( -2.739 -2.107 -2.170) 4.081 3.749 ( -0.292 7.890 -5.034) 9.364 4.570 ( -7.859 0.986 1.195) 8.010 4.775 ( -9.446 0.217 0.025) 9.448 4.939 ( -9.556 0.432 8.499) 12.795 5.697 ( 4.026 -1.110 -7.683) 8.745 5.764 ( 2.290 -1.393 -17.863) 18.063 5.899 ( 16.733 0.150 -5.982) 17.771 6.900 ( -5.377 3.369 5.839) 8.623 7.041 ( -4.492 -2.151 -0.281) 4.988 7.238 ( -0.570 -6.128 4.699) 7.744 7.390 ( 0.979 -0.608 -6.788) 6.885 7.737 ( 2.455 2.727 -7.649) 8.483 8.028 ( 3.776 3.679 9.803) 11.131 8.447 ( 7.294 -3.644 6.263) 10.281 9.236 ( 1.999 0.178 -4.837) 5.236 9.913 ( 2.424 6.109 9.339) 11.419 10.021 ( -7.521 4.579 8.091) 11.958 10.478 ( -2.642 -3.677 -1.170) 4.677 10.625 ( -6.106 -13.180 -21.364) 25.835 11.010 ( 19.035 -0.262 0.146) 19.038 11.220 ( 10.712 1.292 -14.322) 17.932 11.629 ( -3.514 -0.438 0.964) 3.670 11.879 ( 5.903 -0.196 -8.282) 10.173 12.864 ( -7.932 1.503 0.962) 8.130 13.408 ( -1.410 10.462 16.234) 19.364 13.854 ( -9.056 -6.057 10.839) 15.369 ======================= Grid point 95 (37/275) ======================= q-point: ( 0.33 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 13.684 -20.881 2.783) 25.120 1.616 ( 8.646 -6.618 13.579) 17.405 2.300 ( -10.300 6.253 9.412) 15.290 2.516 ( -6.200 -2.647 9.288) 11.477 2.727 ( -9.015 5.113 1.388) 10.456 3.076 ( 1.322 -0.318 -1.229) 1.833 3.185 ( 14.877 -0.292 5.517) 15.870 3.684 ( 5.142 8.851 -2.866) 10.630 4.376 ( -10.855 5.864 0.367) 12.343 4.693 ( -4.138 -4.719 -0.703) 6.315 4.803 ( -8.255 0.307 6.942) 10.790 5.707 ( 1.611 0.941 -17.515) 17.614 5.785 ( 2.709 -1.465 -11.211) 11.626 6.166 ( 14.565 -2.840 2.832) 15.107 6.801 ( -4.975 1.972 2.929) 6.101 6.977 ( -8.725 -5.967 0.127) 10.571 7.283 ( -1.035 -3.448 0.812) 3.690 7.392 ( -1.673 -3.445 -2.875) 4.789 7.715 ( 0.669 2.710 -4.519) 5.311 8.029 ( 3.109 9.659 9.310) 13.771 8.655 ( 8.963 -6.628 0.002) 11.148 9.263 ( 3.210 0.668 -3.435) 4.748 9.786 ( -8.323 9.857 8.960) 15.707 9.925 ( -2.196 5.249 2.200) 6.101 10.472 ( -2.071 -6.669 -4.064) 8.080 10.656 ( -3.660 -13.711 -12.514) 18.920 11.262 ( 8.618 3.017 -7.828) 12.028 11.340 ( 10.823 -0.413 -5.029) 11.941 11.599 ( -1.014 -2.888 4.770) 5.667 11.972 ( 8.864 0.854 -8.561) 12.353 12.709 ( -8.345 2.477 2.470) 9.049 13.318 ( -0.607 11.289 15.473) 19.163 13.822 ( -6.402 -6.843 9.430) 13.294 ======================= Grid point 96 (38/275) ======================= q-point: (-0.56 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 4.740 -6.262 6.650) 10.291 1.860 ( -1.416 -1.769 10.310) 10.556 2.164 ( -1.533 -7.992 2.425) 8.491 2.452 ( -7.364 -2.257 2.260) 8.027 2.552 ( -4.805 3.909 9.000) 10.926 3.026 ( -4.348 -4.435 1.407) 6.368 3.390 ( 6.022 9.029 5.950) 12.377 3.671 ( 3.166 7.114 2.218) 8.096 4.170 ( -4.854 3.288 -6.026) 8.408 4.719 ( -2.442 -2.007 5.976) 6.761 4.723 ( 0.143 -3.462 -1.168) 3.657 5.649 ( -0.730 2.116 -17.527) 17.669 5.812 ( 2.080 -1.377 -8.922) 9.265 6.425 ( 9.003 -4.236 11.722) 15.375 6.709 ( -4.052 0.806 -2.819) 5.001 6.894 ( -10.615 -8.301 0.210) 13.477 7.288 ( -3.145 -3.572 -0.290) 4.768 7.401 ( -1.258 -4.365 -1.866) 4.911 7.687 ( 0.027 1.213 -2.794) 3.046 7.995 ( 4.616 11.855 7.469) 14.752 8.831 ( 5.075 -3.777 -4.295) 7.646 9.309 ( 4.048 0.939 -1.211) 4.328 9.559 ( -9.312 7.821 7.106) 14.085 9.799 ( -5.277 4.688 -2.429) 7.464 10.546 ( 3.460 -4.884 -1.765) 6.241 10.709 ( -3.467 -11.648 -9.187) 15.234 11.217 ( -3.847 4.410 -9.213) 10.914 11.450 ( 5.517 1.963 -3.409) 6.776 11.707 ( 3.621 -5.595 2.915) 7.275 12.091 ( 9.027 3.168 -4.873) 10.736 12.588 ( -2.456 1.746 0.669) 3.087 13.235 ( -2.703 6.774 18.935) 20.291 13.848 ( -1.381 -5.397 8.202) 9.915 ======================= Grid point 97 (39/275) ======================= q-point: (-0.44 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -12.966 12.616 10.117) 20.727 1.908 ( -11.866 -3.366 0.898) 12.367 2.118 ( 0.412 7.917 8.759) 11.814 2.525 ( -1.161 -4.729 9.631) 10.792 2.624 ( 5.443 -17.501 2.871) 18.552 3.025 ( -5.842 -2.284 3.019) 6.961 3.210 ( -4.942 13.370 8.901) 16.805 3.669 ( -0.390 1.099 3.007) 3.226 4.132 ( 3.825 0.454 -10.149) 10.856 4.710 ( 0.028 -2.086 0.276) 2.104 4.844 ( 6.631 -3.330 1.619) 7.595 5.555 ( -1.815 3.070 -14.406) 14.841 5.836 ( 1.145 -2.078 -7.296) 7.672 6.486 ( -8.531 1.405 12.572) 15.258 6.736 ( 5.311 -6.078 -2.663) 8.500 6.824 ( -8.836 -8.372 0.479) 12.182 7.256 ( -6.768 -5.447 1.095) 8.757 7.443 ( 2.026 -3.442 -2.365) 4.642 7.683 ( 1.035 -0.494 -2.793) 3.019 7.967 ( 5.714 12.145 5.691) 14.579 8.835 ( -3.253 4.993 -2.675) 6.532 9.286 ( -4.604 3.507 -0.128) 5.789 9.447 ( -0.925 -0.910 0.909) 1.585 9.713 ( 3.251 3.098 -2.759) 5.270 10.646 ( 4.496 -1.188 -0.572) 4.685 10.730 ( -6.016 -9.086 -6.909) 12.903 11.044 ( -7.231 4.878 -7.041) 11.210 11.494 ( 4.913 2.719 -8.218) 9.953 11.779 ( -1.402 -4.377 -3.304) 5.661 12.103 ( -0.734 6.062 2.177) 6.482 12.640 ( 6.667 -3.287 -2.402) 7.811 13.209 ( -0.574 2.533 23.374) 23.518 13.929 ( 1.943 -4.236 7.954) 9.219 ======================= Grid point 98 (40/275) ======================= q-point: (-0.33 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -14.927 13.717 11.082) 23.104 1.523 ( -23.055 11.354 3.142) 25.891 2.184 ( 2.632 4.699 13.414) 14.455 2.473 ( -11.550 13.137 11.260) 20.803 2.654 ( -3.372 -2.180 10.989) 11.700 3.095 ( 6.409 -12.871 1.541) 14.461 3.232 ( 3.159 -9.221 0.183) 9.749 3.627 ( -5.714 -1.986 4.188) 7.358 4.190 ( 6.018 0.155 -9.427) 11.185 4.771 ( 5.450 -1.086 -1.111) 5.668 4.981 ( 4.748 -3.297 0.076) 5.781 5.465 ( -0.015 3.740 -11.006) 11.624 5.846 ( -1.337 -2.458 -5.194) 5.900 6.315 ( -11.229 2.091 4.736) 12.365 6.778 ( -6.649 -8.284 -1.005) 10.670 6.882 ( 1.596 -5.919 5.917) 8.520 7.202 ( -7.345 -6.072 1.335) 9.622 7.521 ( 3.146 -3.138 -0.524) 4.474 7.713 ( 2.476 -1.037 -4.264) 5.039 7.948 ( 5.578 10.814 4.881) 13.110 8.636 ( -8.494 11.067 3.194) 14.312 9.208 ( 0.197 0.656 -9.816) 9.839 9.436 ( -0.367 1.042 2.954) 3.154 9.832 ( 11.923 -0.292 -3.005) 12.299 10.629 ( -11.437 -0.411 -3.928) 12.100 10.702 ( 2.617 1.574 0.352) 3.075 10.899 ( -4.715 -0.828 -7.845) 9.190 11.498 ( 3.331 4.381 -14.675) 15.673 11.746 ( -5.030 -2.684 -7.330) 9.286 12.002 ( -3.394 5.978 3.288) 7.620 12.781 ( 2.407 -7.927 -0.833) 8.326 13.297 ( 4.148 -0.613 27.032) 27.355 14.036 ( 3.116 -3.729 8.320) 9.635 ======================= Grid point 99 (41/275) ======================= q-point: (-0.22 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -23.392 9.786 10.850) 27.580 1.066 ( -12.274 18.638 13.493) 26.079 1.848 ( -13.415 34.820 19.724) 42.207 2.418 ( 0.904 -6.784 13.245) 14.909 2.724 ( -0.065 -4.596 14.431) 15.145 3.219 ( -1.880 -6.104 -0.609) 6.416 3.413 ( 3.761 -0.855 0.250) 3.865 3.642 ( -1.185 -17.797 -1.529) 17.901 4.258 ( 5.681 1.108 -3.814) 6.931 4.883 ( 7.277 0.412 -1.964) 7.548 5.056 ( 0.498 -3.089 -0.922) 3.262 5.427 ( 3.724 4.222 -8.129) 9.888 5.810 ( -5.295 -2.743 -1.518) 6.153 6.127 ( -9.024 2.689 -1.294) 9.505 6.779 ( -3.830 -8.016 0.633) 8.906 6.946 ( -2.960 -5.800 6.621) 9.287 7.176 ( -2.957 -4.590 -0.213) 5.464 7.596 ( 2.035 -2.417 1.642) 3.561 7.740 ( 1.011 0.366 -5.473) 5.577 7.949 ( 4.073 5.236 6.029) 8.965 8.399 ( -5.866 12.111 4.291) 14.125 9.215 ( 4.373 0.508 -12.779) 13.516 9.476 ( 10.539 5.202 1.174) 11.812 10.034 ( 12.263 -0.642 -2.384) 12.509 10.398 ( -12.651 2.991 -2.068) 13.163 10.693 ( -0.730 3.827 -0.129) 3.898 10.825 ( -5.712 -3.366 -9.193) 11.335 11.383 ( -1.836 11.918 -22.383) 25.424 11.674 ( -3.698 -2.286 -5.615) 7.102 11.898 ( -2.648 4.923 1.147) 5.706 12.878 ( -2.146 -10.282 0.708) 10.527 13.474 ( 2.100 -7.338 29.727) 30.692 14.150 ( 2.484 -4.476 8.920) 10.285 ======================= Grid point 100 (42/275) ======================= q-point: (-0.11 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 6.579 9.308 19.754) 22.807 0.806 ( -0.046 20.352 17.263) 26.688 1.338 ( -9.071 33.045 28.904) 44.830 2.550 ( -2.729 -10.043 16.496) 19.505 2.792 ( -2.565 -2.817 16.691) 17.121 3.221 ( -1.441 -1.710 -1.474) 2.678 3.418 ( -0.047 -1.536 0.550) 1.632 3.842 ( -1.039 -15.500 -8.499) 17.708 4.410 ( 17.152 -2.255 4.785) 17.949 4.939 ( 1.145 3.019 -2.029) 3.814 5.073 ( -1.722 -3.644 -0.764) 4.102 5.443 ( 5.667 4.160 -5.961) 9.217 5.745 ( -6.692 -3.097 3.386) 8.114 5.955 ( -6.654 3.666 -7.280) 10.522 6.836 ( -1.471 -9.771 3.888) 10.618 6.987 ( -0.068 -4.718 4.716) 6.672 7.196 ( 1.326 -3.089 -4.724) 5.798 7.640 ( -1.127 -1.886 2.919) 3.654 7.682 ( -3.052 4.766 -6.845) 8.882 8.008 ( 0.326 -1.515 5.520) 5.734 8.189 ( -2.503 13.866 3.805) 14.595 9.241 ( 1.738 -0.769 -9.108) 9.304 9.742 ( 33.940 8.561 -8.048) 35.916 10.134 ( -7.656 3.661 -0.150) 8.488 10.225 ( 1.318 -0.617 1.666) 2.212 10.573 ( -2.423 8.122 -12.103) 14.776 10.726 ( -2.655 4.749 -6.291) 8.318 11.115 ( -1.309 17.734 -12.950) 21.998 11.650 ( -1.139 -2.283 -4.204) 4.918 11.823 ( -0.652 3.443 -2.281) 4.181 12.944 ( -2.663 -9.517 -0.975) 9.930 13.643 ( -8.809 -17.389 29.964) 35.747 14.221 ( -5.777 -4.975 7.946) 11.012 ======================= Grid point 103 (43/275) ======================= q-point: ( 0.22 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 18.178 0.000 4.818) 18.806 1.550 ( 9.703 0.000 11.720) 15.215 2.411 ( -11.843 -0.000 11.260) 16.342 2.450 ( -6.547 -0.000 8.215) 10.505 2.785 ( -8.856 -0.000 1.869) 9.052 3.076 ( -8.006 -0.000 -1.920) 8.233 3.168 ( 26.670 0.000 5.482) 27.227 3.799 ( 3.248 0.000 -5.473) 6.365 4.508 ( -2.562 -0.000 2.875) 3.851 4.573 ( -12.292 -0.000 -1.054) 12.337 4.804 ( -9.945 -0.000 7.494) 12.452 5.737 ( 1.936 0.000 -21.031) 21.120 5.744 ( 4.060 0.000 -7.626) 8.639 6.151 ( 15.582 0.000 -3.859) 16.053 6.825 ( -7.256 -0.000 8.534) 11.201 6.905 ( -9.585 -0.000 -1.556) 9.711 7.206 ( -3.328 -0.000 5.430) 6.369 7.372 ( 0.921 0.000 -6.891) 6.952 7.750 ( -0.360 -0.000 -5.937) 5.948 8.169 ( 5.866 0.000 6.715) 8.916 8.557 ( 8.288 0.000 3.354) 8.941 9.271 ( 3.313 0.000 -2.753) 4.308 9.921 ( -10.541 -0.000 11.282) 15.440 10.020 ( 0.674 0.000 1.007) 1.211 10.370 ( -4.275 -0.000 -15.817) 16.384 10.462 ( 0.325 0.000 -1.645) 1.677 11.307 ( 16.544 0.000 0.068) 16.544 11.328 ( 6.033 0.000 -15.320) 16.465 11.562 ( -4.263 -0.000 5.657) 7.083 11.981 ( 9.625 0.000 -8.229) 12.663 12.729 ( -9.783 -0.000 6.108) 11.533 13.535 ( 3.909 0.000 7.984) 8.889 13.667 ( -11.897 -0.000 13.551) 18.032 ======================= Grid point 104 (44/275) ======================= q-point: ( 0.33 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 16.421 -10.207 3.881) 19.720 1.715 ( 5.211 -2.962 7.886) 9.905 2.207 ( -11.217 5.974 8.485) 15.280 2.370 ( -7.870 -4.726 4.243) 10.113 2.680 ( -4.274 5.246 7.785) 10.315 2.925 ( -10.712 -4.133 -0.097) 11.482 3.507 ( 13.517 2.335 3.789) 14.231 3.837 ( 5.440 4.777 -2.693) 7.725 4.310 ( -7.954 9.604 -2.351) 12.690 4.580 ( -0.512 -8.913 0.683) 8.953 4.681 ( -6.567 -1.274 6.347) 9.221 5.692 ( 0.375 1.592 -19.291) 19.360 5.791 ( 3.403 -0.971 -9.760) 10.382 6.379 ( 12.354 -0.253 1.963) 12.512 6.707 ( -10.944 -2.297 1.089) 11.236 6.765 ( -7.778 -1.438 4.179) 8.945 7.145 ( -9.195 -5.300 7.192) 12.820 7.389 ( 3.911 0.631 -8.523) 9.399 7.710 ( -1.826 0.652 -4.030) 4.472 8.227 ( 5.186 7.413 4.241) 9.992 8.730 ( 8.447 -4.072 -0.616) 9.397 9.327 ( 4.339 0.508 0.032) 4.369 9.736 ( -10.584 7.301 8.785) 15.573 9.898 ( -8.506 2.226 -7.572) 11.603 10.414 ( 5.735 -4.616 -4.293) 8.522 10.500 ( 0.056 -6.660 -2.644) 7.166 11.300 ( -2.917 2.675 -10.515) 11.235 11.491 ( 6.852 2.170 -3.698) 8.083 11.586 ( 3.062 -4.963 1.736) 6.085 12.135 ( 10.792 0.988 -4.128) 11.597 12.598 ( -7.997 -0.057 7.179) 10.747 13.442 ( -4.971 10.325 13.953) 18.056 13.695 ( 0.212 -8.333 7.823) 11.432 ======================= Grid point 105 (45/275) ======================= q-point: (-0.56 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -3.267 -3.347 3.358) 5.757 1.857 ( -3.611 5.199 11.927) 13.503 2.120 ( 7.281 -9.996 2.659) 12.649 2.329 ( -4.692 -3.607 4.769) 7.601 2.510 ( -9.293 4.163 5.427) 11.538 2.893 ( -3.096 -7.700 5.715) 10.077 3.573 ( 1.114 10.368 5.506) 11.792 3.782 ( -1.958 11.808 2.179) 12.166 4.155 ( 1.116 2.507 -9.101) 9.505 4.612 ( -3.388 -7.296 -0.663) 8.071 4.747 ( 5.584 -4.577 4.440) 8.476 5.615 ( -1.160 2.334 -15.896) 16.108 5.822 ( 3.079 0.063 -10.098) 10.557 6.484 ( -8.534 -1.797 8.103) 11.904 6.631 ( 3.125 -5.496 -2.422) 6.770 6.683 ( -6.021 -1.332 3.304) 6.996 7.072 ( -11.597 -8.736 8.894) 17.027 7.437 ( 5.925 1.156 -8.621) 10.524 7.674 ( -0.658 -0.401 -3.819) 3.896 8.223 ( 5.121 9.914 2.128) 11.360 8.864 ( 3.511 -1.226 -1.756) 4.112 9.382 ( 1.660 3.244 2.794) 4.591 9.495 ( -7.816 6.475 0.720) 10.175 9.773 ( -1.849 0.681 -2.575) 3.242 10.503 ( -1.649 -6.828 -3.984) 8.075 10.611 ( 5.862 -4.690 -1.466) 7.649 11.156 ( -6.454 4.803 -6.350) 10.249 11.535 ( 4.092 1.511 -8.865) 9.880 11.671 ( -0.112 -5.200 -4.610) 6.950 12.216 ( 0.821 4.104 3.759) 5.625 12.545 ( -2.682 -4.148 5.563) 7.439 13.344 ( 0.940 7.843 15.708) 17.582 13.813 ( 2.295 -5.973 7.067) 9.534 ======================= Grid point 106 (46/275) ======================= q-point: (-0.44 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -16.234 10.868 6.679) 20.646 1.741 ( -10.225 8.579 10.196) 16.796 2.214 ( 0.153 1.985 8.367) 8.600 2.459 ( -2.507 -8.220 7.280) 11.263 2.520 ( 7.166 -18.635 0.743) 19.979 2.959 ( 0.013 -4.108 6.565) 7.744 3.334 ( -6.063 22.942 6.816) 24.689 3.649 ( -4.947 2.932 1.590) 5.966 4.196 ( 6.453 0.244 -7.984) 10.268 4.686 ( 3.015 -7.085 -1.462) 7.838 4.890 ( 4.188 -4.461 1.686) 6.347 5.536 ( -0.189 2.585 -11.669) 11.953 5.832 ( 1.567 0.593 -9.571) 9.716 6.331 ( -12.336 -2.204 4.156) 13.202 6.617 ( -5.997 -4.299 -0.489) 7.395 6.764 ( 2.870 -4.921 4.443) 7.225 7.012 ( -10.439 -9.798 9.638) 17.259 7.503 ( 5.858 1.289 -6.194) 8.622 7.688 ( 2.594 -1.556 -4.689) 5.580 8.194 ( 4.177 10.371 0.731) 11.205 8.824 ( -5.883 5.912 3.355) 8.990 9.261 ( -1.504 5.046 -7.315) 9.013 9.467 ( 2.187 1.565 5.152) 5.812 9.828 ( 8.480 -1.015 -2.092) 8.793 10.500 ( -6.672 -6.531 -3.125) 9.845 10.734 ( 4.948 -1.419 -1.032) 5.250 10.971 ( -6.402 6.238 -5.685) 10.593 11.549 ( 2.855 0.802 -13.909) 14.221 11.669 ( -4.003 -4.199 -7.776) 9.702 12.130 ( -4.673 5.633 7.077) 10.181 12.589 ( -3.745 -8.435 6.912) 11.530 13.381 ( 6.763 6.187 15.568) 18.066 13.932 ( 2.445 -5.378 7.208) 9.319 ======================= Grid point 107 (47/275) ======================= q-point: (-0.33 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -18.257 14.023 8.292) 24.468 1.457 ( -8.449 17.291 15.564) 24.751 2.283 ( 2.118 -4.083 10.154) 11.147 2.531 ( -2.153 2.329 9.246) 9.774 2.627 ( -2.535 10.777 8.048) 13.688 3.052 ( 3.542 -10.250 2.692) 11.174 3.154 ( -1.821 -6.551 1.387) 6.939 3.542 ( -5.508 1.988 1.654) 6.085 4.286 ( 7.221 1.329 -2.857) 7.878 4.830 ( 5.826 -5.447 -2.318) 8.306 4.979 ( 1.059 -3.737 0.243) 3.892 5.505 ( 3.263 2.626 -8.345) 9.337 5.799 ( -1.829 0.806 -7.584) 7.843 6.176 ( -8.307 0.861 0.306) 8.357 6.592 ( -4.357 -8.125 -1.957) 9.425 6.815 ( -4.954 -6.207 5.061) 9.417 7.032 ( -2.092 -7.979 10.014) 12.974 7.556 ( 3.269 0.501 -2.435) 4.107 7.752 ( 4.613 -0.348 -5.622) 7.281 8.132 ( 1.013 9.696 0.744) 9.777 8.626 ( -7.236 9.160 5.740) 13.008 9.230 ( 3.070 1.557 -10.302) 10.862 9.541 ( 8.754 1.591 5.245) 10.329 10.011 ( 11.394 -1.884 -2.089) 11.736 10.400 ( -10.241 -1.961 -2.196) 10.656 10.763 ( -5.418 -1.583 -5.383) 7.800 10.827 ( 2.250 7.208 -1.472) 7.694 11.525 ( 0.799 1.867 -18.847) 18.957 11.620 ( -2.832 -2.548 -7.923) 8.792 12.013 ( -4.145 5.422 5.302) 8.643 12.631 ( -6.396 -10.950 8.613) 15.330 13.470 ( 4.526 3.956 16.186) 17.266 14.042 ( 1.344 -5.381 7.434) 9.275 ======================= Grid point 108 (48/275) ======================= q-point: (-0.22 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 5.448 15.068 14.834) 21.836 1.221 ( -1.803 18.779 18.686) 26.553 2.154 ( -6.308 37.729 10.832) 39.757 2.390 ( 0.691 -5.126 12.671) 13.686 2.684 ( -1.358 -7.084 13.577) 15.374 3.136 ( -1.197 -5.774 1.727) 6.144 3.375 ( 0.580 -24.019 -4.509) 24.446 3.440 ( -4.310 2.418 0.150) 4.944 4.404 ( 9.823 0.995 4.167) 10.717 4.941 ( 2.270 -3.173 -2.886) 4.853 5.003 ( -2.530 -2.522 -0.236) 3.580 5.533 ( 5.934 3.455 -5.879) 9.039 5.738 ( -1.356 1.140 -5.227) 5.519 6.035 ( -5.897 3.269 -4.354) 8.026 6.649 ( -0.033 -9.044 -0.648) 9.067 6.831 ( -2.156 -8.680 1.948) 9.153 7.123 ( 0.960 -4.276 8.352) 9.433 7.587 ( -0.074 -0.978 1.858) 2.101 7.788 ( 3.671 3.580 -6.889) 8.588 8.035 ( -1.774 5.810 2.626) 6.618 8.457 ( -3.165 10.064 4.511) 11.474 9.234 ( 1.527 0.539 -7.853) 8.018 9.744 ( 10.653 -3.419 4.440) 12.037 10.177 ( 2.986 -1.400 -0.200) 3.303 10.250 ( -0.985 3.211 -2.134) 3.980 10.657 ( -1.976 -0.140 -11.616) 11.783 10.810 ( 2.397 6.115 1.167) 6.671 11.440 ( 2.369 8.836 -21.979) 23.807 11.597 ( -0.630 -2.393 -8.167) 8.533 11.911 ( -2.678 4.599 2.067) 5.710 12.671 ( -7.052 -13.250 8.713) 17.356 13.502 ( -3.424 0.987 18.671) 19.008 14.120 ( -1.607 -4.929 7.405) 9.039 ======================= Grid point 109 (49/275) ======================= q-point: (-0.11 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 17.219 13.983 13.320) 25.873 1.136 ( 18.690 12.332 17.052) 28.146 1.719 ( 1.060 35.235 16.683) 38.999 2.472 ( -1.986 -5.085 14.546) 15.536 2.735 ( -4.803 -3.963 15.211) 16.436 3.185 ( -0.721 -5.556 -2.122) 5.991 3.344 ( -4.956 0.880 -1.541) 5.264 3.571 ( -4.315 -19.955 -5.598) 21.169 4.626 ( 10.982 -5.745 8.385) 14.964 4.898 ( -8.057 1.007 -0.929) 8.173 5.011 ( 0.332 -4.298 -3.302) 5.430 5.576 ( 6.257 4.533 -3.218) 8.369 5.709 ( 1.212 2.529 -4.646) 5.427 5.897 ( -3.408 4.494 -7.783) 9.612 6.754 ( 1.491 -7.546 1.800) 7.900 6.974 ( 6.601 -8.621 -0.954) 10.899 7.188 ( 1.593 -2.648 1.630) 3.494 7.544 ( -6.615 1.540 3.743) 7.755 7.764 ( 3.043 6.907 -7.690) 10.775 7.999 ( -1.677 -0.304 6.167) 6.398 8.320 ( 0.799 11.026 4.744) 12.030 9.229 ( 0.680 -0.076 -6.592) 6.628 9.822 ( -8.826 -6.139 11.439) 15.698 10.133 ( -4.273 0.386 1.732) 4.627 10.406 ( 18.208 0.067 -2.985) 18.452 10.662 ( 3.549 4.659 -6.403) 8.677 10.825 ( 10.956 2.363 -11.241) 15.874 11.260 ( -0.224 17.250 -24.220) 29.735 11.617 ( 2.150 -2.345 -6.508) 7.244 11.849 ( 0.116 3.055 -1.417) 3.369 12.756 ( -2.977 -15.015 4.655) 16.000 13.435 ( -12.071 -2.331 23.831) 26.816 14.117 ( -5.560 -1.339 7.436) 9.380 ======================= Grid point 113 (50/275) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 0.146 0.000 4.818) 4.821 1.825 ( 13.453 0.000 5.853) 14.672 2.111 ( -8.264 -0.000 8.964) 12.192 2.238 ( -4.559 -0.000 3.558) 5.784 2.646 ( -17.639 -0.000 0.346) 17.643 2.746 ( 2.211 0.000 10.960) 11.181 3.651 ( 2.329 0.000 2.143) 3.165 3.965 ( 7.474 0.000 0.005) 7.474 4.269 ( -3.884 -0.000 -5.841) 7.014 4.439 ( -7.821 -0.000 -1.989) 8.070 4.695 ( 5.592 0.000 6.363) 8.472 5.643 ( -1.406 -0.000 -17.181) 17.238 5.824 ( 4.199 0.000 -9.742) 10.608 6.451 ( -15.313 -0.000 -1.500) 15.386 6.561 ( 9.092 0.000 1.659) 9.242 6.695 ( -4.815 -0.000 8.624) 9.877 6.962 ( -11.865 -0.000 8.981) 14.881 7.452 ( 6.139 0.000 -9.159) 11.026 7.669 ( -1.579 -0.000 -4.617) 4.880 8.340 ( 3.259 0.000 0.765) 3.347 8.839 ( 6.555 0.000 -0.069) 6.556 9.410 ( 4.672 0.000 3.814) 6.031 9.678 ( -11.897 -0.000 -12.719) 17.416 9.686 ( -4.776 -0.000 9.678) 10.792 10.447 ( -0.871 -0.000 -2.275) 2.436 10.533 ( 9.602 0.000 -1.794) 9.768 11.216 ( -5.855 -0.000 -6.187) 8.518 11.572 ( 1.506 0.000 -9.180) 9.303 11.585 ( 2.585 0.000 -4.938) 5.574 12.264 ( 3.004 0.000 3.360) 4.506 12.495 ( -6.821 -0.000 9.042) 11.326 13.457 ( -1.711 -0.000 13.474) 13.583 13.723 ( 4.625 0.000 6.529) 8.001 ======================= Grid point 114 (51/275) ======================= q-point: (-0.56 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -5.163 4.674 4.920) 8.527 1.885 ( -5.524 5.047 14.936) 16.705 2.170 ( 10.163 -8.657 0.454) 13.358 2.238 ( -2.429 -5.731 6.720) 9.159 2.338 ( -15.916 1.455 3.112) 16.283 2.847 ( 2.281 -4.122 10.276) 11.305 3.635 ( -2.444 2.033 1.500) 3.515 3.946 ( -1.336 22.501 3.550) 22.819 4.201 ( 5.600 0.689 -8.256) 10.000 4.444 ( -2.165 -15.355 -2.296) 15.676 4.818 ( 5.595 -1.779 2.853) 6.527 5.569 ( -1.739 0.586 -12.468) 12.602 5.859 ( 3.849 1.384 -10.875) 11.619 6.231 ( -13.494 -4.292 -0.629) 14.175 6.621 ( -5.185 2.763 4.116) 7.173 6.682 ( 2.572 -2.521 1.390) 3.860 6.837 ( -9.314 -5.470 14.533) 18.108 7.535 ( 7.090 1.052 -7.632) 10.470 7.655 ( 1.369 -1.136 -6.096) 6.351 8.358 ( 2.332 4.253 -1.003) 4.953 8.890 ( -1.288 0.951 3.398) 3.757 9.420 ( -6.118 7.927 -8.110) 12.886 9.494 ( 3.058 0.753 6.343) 7.082 9.746 ( 4.367 -5.931 1.637) 7.545 10.419 ( -2.787 -0.996 -2.356) 3.783 10.689 ( 7.934 -1.738 -1.782) 8.315 11.088 ( -5.632 3.484 -4.534) 8.026 11.532 ( -2.663 -1.881 -13.187) 13.584 11.606 ( 0.889 -0.967 -9.199) 9.293 12.234 ( -5.187 3.551 9.679) 11.541 12.445 ( -5.555 -4.428 8.848) 11.347 13.503 ( 5.465 3.966 10.981) 12.891 13.829 ( 3.244 -3.416 7.040) 8.471 ======================= Grid point 115 (52/275) ======================= q-point: (-0.44 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -10.658 16.178 7.486) 20.769 1.778 ( -4.809 11.104 16.209) 20.227 2.189 ( -3.505 -4.656 7.533) 9.524 2.325 ( -1.814 -10.751 7.637) 13.311 2.457 ( 6.495 -16.180 0.200) 17.436 2.943 ( 0.307 -4.702 8.945) 10.110 3.538 ( -1.819 18.592 1.890) 18.777 3.610 ( -7.250 14.073 -0.053) 15.831 4.309 ( 8.274 0.663 -2.878) 8.785 4.626 ( 3.891 -14.186 -1.630) 14.800 4.911 ( 2.584 -2.168 0.748) 3.455 5.530 ( 1.071 -0.142 -8.286) 8.356 5.841 ( 0.414 3.160 -10.568) 11.038 6.121 ( -6.820 -5.788 -1.144) 9.018 6.502 ( -6.713 0.264 -0.388) 6.729 6.685 ( -6.669 -5.723 4.161) 9.724 6.884 ( 1.210 -5.022 14.670) 15.553 7.596 ( 4.756 2.469 -5.580) 7.736 7.716 ( 5.194 -2.553 -6.398) 8.628 8.323 ( 1.018 7.183 -1.054) 7.331 8.789 ( -7.187 5.549 6.219) 11.005 9.283 ( -0.136 3.146 -9.142) 9.669 9.566 ( 4.793 0.919 8.493) 9.795 9.933 ( 9.865 -5.068 -1.232) 11.158 10.358 ( -5.462 -1.401 -2.738) 6.268 10.770 ( 0.511 1.913 -2.794) 3.424 10.965 ( -0.389 5.103 -2.386) 5.646 11.475 ( -3.621 -4.887 -13.936) 15.205 11.598 ( 1.456 0.048 -12.676) 12.759 12.122 ( -5.507 4.582 9.192) 11.654 12.434 ( -6.820 -7.160 9.242) 13.535 13.573 ( 4.437 4.714 10.317) 12.180 13.931 ( 1.524 -4.589 7.267) 8.728 ======================= Grid point 116 (53/275) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 3.738 18.221 11.263) 21.744 1.604 ( -2.476 16.241 17.845) 24.256 2.258 ( -0.467 -5.706 9.924) 11.457 2.455 ( -0.154 -11.235 9.107) 14.463 2.685 ( 0.280 -10.878 1.715) 11.016 3.000 ( -3.482 -6.242 6.256) 9.498 3.179 ( -2.441 24.754 1.329) 24.910 3.500 ( -2.461 2.610 -1.127) 3.760 4.428 ( 7.503 0.671 2.777) 8.029 4.812 ( 2.605 -9.364 -1.740) 9.874 4.949 ( -1.221 -2.155 0.268) 2.491 5.567 ( 5.253 -0.245 -5.679) 7.740 5.783 ( 1.122 3.137 -9.961) 10.503 6.074 ( -4.056 -0.422 -2.399) 4.731 6.456 ( -1.441 -7.332 -2.580) 7.905 6.661 ( -4.683 -6.487 3.059) 8.565 7.014 ( 2.576 -5.138 15.220) 16.269 7.615 ( 2.536 2.801 -3.439) 5.109 7.807 ( 4.583 -1.415 -5.849) 7.564 8.223 ( -1.593 10.067 0.463) 10.202 8.636 ( -3.885 6.808 4.204) 8.894 9.259 ( 1.368 1.176 -6.926) 7.157 9.672 ( 2.948 -2.519 8.976) 9.778 10.117 ( 5.374 -3.357 0.038) 6.337 10.288 ( -1.272 -0.931 -4.392) 4.666 10.675 ( -2.219 3.855 -6.318) 7.727 10.951 ( 3.640 5.919 1.150) 7.043 11.472 ( 1.926 -4.358 -13.133) 13.971 11.586 ( 2.218 0.985 -17.078) 17.249 12.012 ( -4.437 4.558 5.787) 8.599 12.424 ( -8.139 -9.385 9.549) 15.668 13.578 ( -1.493 4.757 11.279) 12.332 14.010 ( -0.655 -5.003 7.454) 9.001 ======================= Grid point 117 (54/275) ======================= q-point: (-0.22 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 24.754 11.840 12.487) 30.148 1.470 ( 2.324 16.466 18.105) 24.583 2.279 ( -5.980 1.774 10.411) 12.137 2.541 ( 2.308 10.670 5.795) 12.359 2.633 ( -2.243 3.156 13.010) 13.574 3.010 ( -6.040 -10.953 2.531) 12.762 3.118 ( -1.794 -11.542 -1.935) 11.840 3.440 ( 0.358 4.221 -2.615) 4.978 4.561 ( 6.475 -1.658 7.724) 10.214 4.875 ( -5.783 -3.758 -0.228) 6.901 4.924 ( -2.116 -3.223 -2.175) 4.427 5.649 ( 6.674 1.868 -3.896) 7.951 5.763 ( 3.203 2.765 -12.136) 12.852 5.994 ( -1.578 4.093 -1.216) 4.552 6.583 ( 3.739 -8.994 -0.408) 9.749 6.727 ( 3.154 -11.351 -2.818) 12.113 7.138 ( 1.571 -3.166 14.845) 15.259 7.589 ( -1.520 3.168 -0.698) 3.582 7.849 ( 1.529 0.587 -5.028) 5.288 8.094 ( -0.388 9.306 1.099) 9.379 8.535 ( -0.241 8.094 2.425) 8.453 9.246 ( 0.710 1.551 -4.997) 5.280 9.699 ( -7.076 -4.508 9.473) 12.654 10.136 ( -6.026 -1.239 4.041) 7.360 10.385 ( 12.844 -1.818 -3.768) 13.508 10.679 ( 6.342 -0.706 -9.111) 11.124 10.941 ( 4.429 7.319 0.776) 8.590 11.519 ( 2.996 6.919 -24.844) 25.963 11.556 ( 3.327 -3.373 -9.979) 11.047 11.921 ( -2.269 3.489 2.471) 4.840 12.445 ( -5.896 -12.765 8.969) 16.678 13.480 ( -8.159 4.713 14.104) 16.962 14.051 ( -3.110 -4.201 7.722) 9.324 ======================= Grid point 118 (55/275) ======================= q-point: (-0.11 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 7.448 14.068 15.509) 22.224 1.699 ( 23.152 11.989 9.836) 27.865 2.102 ( 1.879 13.246 11.387) 17.568 2.500 ( 4.581 7.557 8.650) 12.366 2.650 ( -4.764 -3.512 14.566) 15.723 3.013 ( -7.904 -9.432 -2.121) 12.487 3.212 ( -5.419 -13.985 -0.512) 15.007 3.422 ( 3.295 1.353 -4.322) 5.600 4.679 ( -3.485 -3.709 10.238) 11.434 4.750 ( -5.594 -1.175 -2.416) 6.205 4.938 ( -2.915 -4.943 -1.730) 5.994 5.714 ( 6.103 3.119 -6.168) 9.221 5.749 ( 2.359 1.303 -11.900) 12.201 5.948 ( 4.334 8.209 0.493) 9.296 6.713 ( 2.505 -7.061 -0.126) 7.493 6.998 ( 11.722 -13.629 -5.756) 18.876 7.193 ( -1.003 0.013 10.430) 10.478 7.488 ( -5.208 4.387 -0.002) 6.809 7.825 ( -0.878 2.303 -3.701) 4.447 8.005 ( -2.918 5.943 5.969) 8.914 8.490 ( 6.408 8.354 1.232) 10.600 9.228 ( 0.603 0.755 -5.104) 5.195 9.669 ( -5.309 -6.516 9.993) 13.058 10.033 ( -7.364 0.286 6.239) 9.656 10.644 ( 10.584 -2.234 -1.428) 10.911 10.737 ( 4.877 0.918 -1.273) 5.124 11.004 ( 11.326 1.588 -9.416) 14.814 11.316 ( -4.229 13.855 -23.660) 27.742 11.627 ( 3.321 -1.535 -9.155) 9.859 11.883 ( 0.835 2.294 -1.225) 2.732 12.581 ( 0.918 -16.056 2.537) 16.281 13.312 ( -11.206 3.511 19.383) 22.663 14.037 ( -5.173 -1.571 8.163) 9.791 ======================= Grid point 123 (56/275) ======================= q-point: ( 0.44 -0.56 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 0.637 0.000 8.314) 8.338 1.816 ( -8.338 -0.000 13.009) 15.452 2.132 ( -10.306 -0.000 10.316) 14.582 2.184 ( -1.454 -0.000 6.796) 6.950 2.260 ( 6.596 0.000 -0.397) 6.608 2.884 ( 0.388 0.000 10.369) 10.376 3.592 ( -3.380 -0.000 -0.656) 3.443 4.168 ( -0.821 -0.000 -5.250) 5.314 4.201 ( -3.745 -0.000 -2.485) 4.494 4.340 ( 12.353 0.000 3.636) 12.877 4.889 ( 3.344 0.000 0.653) 3.408 5.523 ( -0.030 -0.000 -8.254) 8.254 5.904 ( 3.738 0.000 -13.259) 13.776 6.019 ( -8.340 -0.000 -0.503) 8.355 6.543 ( -10.783 -0.000 -1.425) 10.877 6.593 ( -4.209 -0.000 6.708) 7.919 6.829 ( 2.470 0.000 15.296) 15.494 7.639 ( 6.415 0.000 -5.147) 8.225 7.670 ( 3.877 0.000 -7.948) 8.843 8.406 ( 1.691 0.000 -2.126) 2.717 8.850 ( -5.887 -0.000 6.867) 9.045 9.331 ( -5.077 -0.000 -9.283) 10.580 9.578 ( 3.052 0.000 9.863) 10.324 9.858 ( 12.301 0.000 -0.797) 12.327 10.343 ( -5.871 -0.000 -2.023) 6.209 10.802 ( 6.225 0.000 -2.574) 6.736 11.027 ( -2.334 -0.000 -2.477) 3.403 11.403 ( -5.106 -0.000 -13.569) 14.498 11.599 ( 1.886 0.000 -13.499) 13.630 12.187 ( -6.422 -0.000 12.389) 13.955 12.342 ( -6.422 -0.000 7.291) 9.716 13.634 ( 4.203 0.000 8.469) 9.454 13.872 ( 1.714 0.000 7.554) 7.746 ======================= Grid point 125 (57/275) ======================= q-point: (-0.44 0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 2.123 17.814 9.971) 20.524 1.864 ( -1.261 3.627 16.822) 17.255 2.103 ( 0.751 -7.200 9.723) 12.122 2.227 ( -0.958 -6.819 7.825) 10.423 2.378 ( 1.190 -9.671 1.417) 9.847 2.893 ( -4.460 -2.977 8.595) 10.131 3.535 ( -2.714 1.049 -1.986) 3.522 3.849 ( -1.743 29.398 -2.473) 29.554 4.352 ( 1.107 -12.868 -4.302) 13.613 4.584 ( 8.462 -6.652 8.108) 13.475 4.920 ( -0.328 -0.635 -0.176) 0.736 5.549 ( 5.298 -0.782 -5.841) 7.924 5.869 ( 1.560 4.663 -11.554) 12.556 5.999 ( 0.018 -5.509 -3.560) 6.559 6.381 ( -7.041 -0.482 -1.320) 7.180 6.560 ( -3.933 -2.681 4.984) 6.892 6.930 ( 3.327 -2.163 15.631) 16.127 7.682 ( 3.727 3.180 -4.691) 6.783 7.753 ( 4.633 -3.124 -5.808) 8.059 8.400 ( 0.963 4.952 -1.662) 5.311 8.748 ( -5.704 3.149 6.023) 8.873 9.262 ( -0.693 -0.663 -7.282) 7.344 9.650 ( 2.441 0.112 10.854) 11.125 10.057 ( 7.257 -1.695 -0.206) 7.455 10.235 ( -4.619 -2.282 -4.082) 6.573 10.799 ( -1.463 5.199 -3.919) 6.673 11.043 ( 5.110 2.401 1.154) 5.762 11.353 ( 1.239 -4.851 -13.756) 14.638 11.597 ( 3.127 0.142 -17.607) 17.884 12.100 ( -5.649 3.169 9.909) 11.838 12.271 ( -8.065 -4.626 7.073) 11.682 13.670 ( -0.695 3.015 8.414) 8.965 13.919 ( -0.482 -2.891 7.807) 8.340 ======================= Grid point 126 (58/275) ======================= q-point: (-0.33 0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 15.082 13.776 11.908) 23.644 1.794 ( 0.304 12.495 17.080) 21.165 2.226 ( -0.381 -2.964 9.260) 9.730 2.367 ( 3.176 -12.341 8.453) 15.292 2.503 ( -3.291 -14.523 4.499) 15.556 2.860 ( -7.100 -6.025 5.207) 10.669 3.407 ( -3.804 16.879 -2.470) 17.478 3.580 ( 3.692 15.968 -1.439) 16.452 4.487 ( 2.641 -7.621 1.003) 8.127 4.746 ( 0.079 -5.929 6.717) 8.960 4.882 ( -5.256 -1.099 -0.734) 5.420 5.667 ( 9.582 0.243 -5.686) 11.144 5.823 ( 1.056 2.489 -14.718) 14.964 6.056 ( 3.960 1.116 1.677) 4.443 6.379 ( 3.310 -7.902 -3.647) 9.311 6.558 ( -1.902 -4.670 2.452) 5.607 7.060 ( 3.139 -3.387 17.287) 17.894 7.671 ( 0.502 3.924 -2.646) 4.760 7.825 ( 1.683 -2.290 -3.735) 4.693 8.317 ( -0.445 9.578 -1.109) 9.652 8.664 ( -0.786 3.972 1.707) 4.394 9.264 ( 1.064 -0.642 -4.475) 4.644 9.669 ( -3.538 2.438 9.145) 10.104 10.052 ( -6.411 -6.259 4.316) 9.945 10.330 ( 9.072 -2.742 -5.172) 10.797 10.718 ( 0.828 3.948 -4.009) 5.687 11.085 ( 4.924 5.748 1.371) 7.692 11.458 ( 7.220 -5.464 -13.504) 16.259 11.602 ( 4.946 1.546 -23.067) 23.642 11.996 ( -4.809 3.452 5.992) 8.423 12.222 ( -8.093 -7.821 8.687) 14.217 13.593 ( -6.181 5.084 10.065) 12.860 13.955 ( -2.468 -4.239 8.130) 9.495 ======================= Grid point 127 (59/275) ======================= q-point: (-0.22 0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 3.277 12.482 17.107) 21.429 1.854 ( 20.760 4.807 10.984) 23.973 2.204 ( -5.787 1.140 6.758) 8.970 2.532 ( -0.593 -6.142 12.271) 13.735 2.602 ( -5.630 -13.738 6.686) 16.282 2.859 ( -1.008 -6.216 0.733) 6.340 3.153 ( 0.900 19.570 -1.024) 19.618 3.533 ( 4.220 7.278 -2.779) 8.860 4.605 ( 1.620 -4.755 6.014) 7.836 4.703 ( -10.880 -2.182 0.638) 11.115 4.832 ( -4.014 -4.822 0.664) 6.309 5.744 ( 1.105 0.496 -16.998) 17.041 5.811 ( 7.116 3.407 -3.776) 8.747 6.113 ( 7.651 6.791 3.453) 10.797 6.560 ( 3.602 -7.146 0.434) 8.014 6.678 ( 8.872 -13.646 -4.444) 16.872 7.178 ( 1.355 -2.044 17.399) 17.571 7.593 ( -3.375 5.024 -1.971) 6.365 7.827 ( -2.353 -0.632 -0.750) 2.549 8.197 ( -1.266 9.779 -0.610) 9.879 8.645 ( 4.658 5.284 -1.490) 7.200 9.262 ( 0.370 1.774 -3.112) 3.601 9.570 ( -7.491 -1.322 6.901) 10.271 10.039 ( -4.073 -0.995 7.120) 8.263 10.533 ( 11.789 -6.957 -2.262) 13.874 10.717 ( 0.255 -1.052 -2.528) 2.750 11.102 ( 5.603 5.728 -3.270) 8.654 11.529 ( 2.058 4.949 -19.738) 20.453 11.599 ( 4.577 0.304 -15.508) 16.173 11.930 ( -0.829 1.936 1.908) 2.842 12.262 ( -1.985 -12.882 5.992) 14.345 13.430 ( -9.311 6.523 13.528) 17.670 13.971 ( -3.854 -4.027 8.604) 10.251 ======================= Grid point 128 (60/275) ======================= q-point: (-0.11 0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 6.241 10.826 14.139) 18.870 2.057 ( -10.606 -1.297 8.178) 13.456 2.181 ( 17.707 7.487 9.362) 21.383 2.563 ( -5.198 -3.118 11.388) 12.901 2.620 ( -7.742 -9.062 3.669) 12.470 2.955 ( 10.334 3.741 0.397) 10.998 3.060 ( 1.266 1.468 2.127) 2.878 3.526 ( 4.556 5.714 -2.695) 7.790 4.481 ( -14.896 -1.558 1.670) 15.070 4.716 ( 1.298 -4.291 0.467) 4.507 4.809 ( -5.903 -4.748 2.905) 8.113 5.706 ( 0.025 -1.420 -17.038) 17.097 5.853 ( 4.854 5.769 -5.179) 9.147 6.184 ( 10.205 8.969 7.185) 15.369 6.673 ( 2.068 -6.879 -2.415) 7.579 7.022 ( 12.636 -15.515 -5.354) 20.714 7.217 ( -1.632 2.468 13.203) 13.530 7.455 ( -5.255 5.015 -2.524) 7.690 7.785 ( -3.225 -1.009 0.843) 3.482 8.040 ( -5.760 9.954 5.446) 12.725 8.698 ( 9.373 5.318 -3.696) 11.393 9.236 ( 0.673 1.324 -4.713) 4.941 9.535 ( -5.264 -7.243 7.205) 11.493 9.973 ( -4.563 3.104 7.446) 9.268 10.669 ( -3.871 0.838 0.606) 4.006 10.842 ( 11.751 -8.909 -2.359) 14.934 11.122 ( 4.016 1.820 -17.411) 17.961 11.397 ( 2.081 12.794 -5.274) 13.994 11.625 ( 2.091 -0.907 -10.357) 10.604 11.917 ( 1.417 1.419 -1.959) 2.803 12.441 ( 2.106 -15.242 -2.063) 15.524 13.258 ( -7.535 6.016 18.311) 20.695 13.960 ( -4.573 -2.022 8.993) 10.290 ======================= Grid point 134 (61/275) ======================= q-point: (-0.44 0.56 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 3.170 0.000 13.947) 14.303 1.907 ( 3.259 0.000 13.778) 14.158 2.171 ( 10.184 0.000 10.614) 14.710 2.213 ( 1.420 0.000 8.066) 8.190 2.313 ( -2.825 -0.000 4.005) 4.901 2.784 ( -8.972 -0.000 6.352) 10.993 3.504 ( -1.124 -0.000 -3.259) 3.447 4.012 ( -4.929 -0.000 -5.067) 7.069 4.239 ( 5.956 0.000 -1.728) 6.202 4.689 ( 2.381 0.000 12.677) 12.898 4.870 ( -5.629 -0.000 -0.493) 5.651 5.669 ( 11.533 0.000 -5.591) 12.816 5.856 ( -2.273 -0.000 -17.413) 17.561 6.051 ( 10.676 0.000 2.250) 10.910 6.298 ( -1.093 -0.000 -3.206) 3.388 6.509 ( -2.620 -0.000 4.717) 5.396 7.019 ( 3.590 0.000 16.958) 17.334 7.735 ( -0.042 -0.000 -1.108) 1.109 7.777 ( 3.391 0.000 -5.383) 6.362 8.434 ( -0.229 -0.000 -2.296) 2.308 8.708 ( -2.333 -0.000 3.216) 3.973 9.243 ( 1.416 0.000 -5.047) 5.242 9.742 ( 5.273 0.000 10.561) 11.804 9.941 ( -14.520 -0.000 2.357) 14.710 10.297 ( 9.479 0.000 -4.852) 10.648 10.777 ( -3.491 -0.000 -1.650) 3.862 11.165 ( 5.548 0.000 3.105) 6.358 11.371 ( 9.635 0.000 -17.512) 19.988 11.616 ( 5.921 0.000 -22.363) 23.134 12.055 ( -5.799 -0.000 10.309) 11.828 12.119 ( -8.824 -0.000 5.308) 10.298 13.660 ( -5.337 -0.000 8.834) 10.321 13.899 ( -2.502 -0.000 8.415) 8.779 ======================= Grid point 136 (62/275) ======================= q-point: (-0.33 0.56 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -0.630 1.348 13.814) 13.893 1.957 ( 1.861 4.505 13.187) 14.060 2.242 ( 1.418 1.957 6.981) 7.387 2.356 ( -0.342 -7.542 10.925) 13.280 2.433 ( 11.411 0.285 8.703) 14.354 2.682 ( -5.852 -7.589 2.720) 9.962 3.465 ( -0.070 4.676 -4.281) 6.340 3.830 ( 1.721 17.620 -2.275) 17.849 4.420 ( 4.592 -10.994 -1.900) 12.065 4.694 ( -8.202 0.981 8.505) 11.856 4.745 ( -8.039 -3.034 2.644) 8.990 5.756 ( -2.797 0.470 -16.718) 16.957 5.862 ( 13.191 1.216 -6.551) 14.779 6.240 ( 10.796 5.267 2.194) 12.211 6.383 ( 9.627 -8.181 -3.035) 12.993 6.501 ( -1.333 -3.042 4.774) 5.816 7.130 ( 2.899 -1.596 18.006) 18.308 7.685 ( -3.304 2.944 -1.060) 4.550 7.806 ( -0.322 -1.122 -1.373) 1.802 8.372 ( -2.771 5.125 -2.295) 6.262 8.708 ( 2.856 0.942 -1.772) 3.490 9.269 ( 1.677 -0.701 -2.374) 2.990 9.650 ( -10.762 7.139 3.936) 13.501 9.944 ( 5.051 -7.072 8.153) 11.917 10.423 ( 6.371 -2.386 -2.718) 7.326 10.709 ( -3.970 0.053 0.078) 3.971 11.206 ( 2.001 3.208 -1.625) 4.115 11.520 ( 10.750 -1.834 -20.171) 22.930 11.667 ( 7.844 2.603 -20.963) 22.534 11.968 ( -3.818 1.815 5.630) 7.040 12.049 ( -6.312 -6.484 8.091) 12.138 13.555 ( -7.507 4.032 11.070) 13.970 13.887 ( -3.787 -2.971 9.030) 10.233 ======================= Grid point 137 (63/275) ======================= q-point: (-0.22 0.56 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -6.048 -3.637 12.517) 14.370 1.941 ( -3.526 2.227 9.667) 10.528 2.315 ( 2.076 -2.689 12.446) 12.901 2.422 ( 1.125 2.327 2.014) 3.277 2.495 ( -0.716 -4.672 13.886) 14.668 2.855 ( 10.068 -5.792 2.752) 11.937 3.373 ( 2.093 12.217 -3.136) 12.786 3.725 ( 5.860 13.839 -1.170) 15.074 4.466 ( -16.213 0.116 -0.680) 16.228 4.581 ( 2.922 -8.135 -1.409) 8.757 4.707 ( -5.738 -4.350 7.325) 10.271 5.674 ( -2.279 -1.309 -15.714) 15.932 5.993 ( 9.059 6.425 -8.020) 13.700 6.346 ( 9.742 5.419 6.276) 12.793 6.532 ( 1.266 -5.455 -0.037) 5.600 6.716 ( 13.625 -11.633 -0.124) 17.916 7.227 ( 0.992 -1.012 17.263) 17.321 7.562 ( -6.521 4.135 -2.444) 8.099 7.780 ( -2.563 0.639 0.280) 2.657 8.239 ( -4.800 7.364 0.457) 8.802 8.762 ( 5.265 0.488 -4.758) 7.113 9.280 ( 0.489 1.395 -1.985) 2.475 9.457 ( -7.249 1.050 3.621) 8.171 10.053 ( 1.063 3.616 6.868) 7.835 10.608 ( 8.891 -10.905 -1.321) 14.131 10.650 ( -4.303 -1.932 1.149) 4.855 11.176 ( 0.901 2.558 -10.960) 11.291 11.591 ( -1.855 0.527 -12.951) 13.094 11.653 ( 8.371 8.397 -9.490) 15.187 11.944 ( 0.111 0.943 0.676) 1.166 12.135 ( 2.461 -12.669 -0.775) 12.929 13.414 ( -5.773 7.357 14.288) 17.076 13.887 ( -3.942 -4.167 9.678) 11.250 ======================= Grid point 138 (64/275) ======================= q-point: (-0.11 -0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -14.357 -9.371 6.446) 18.316 1.917 ( 1.813 3.792 13.840) 14.464 2.282 ( -12.227 -7.325 4.749) 15.024 2.506 ( 3.835 0.013 9.892) 10.610 2.603 ( 8.978 4.172 8.904) 13.315 3.035 ( 6.431 -0.336 3.227) 7.203 3.290 ( 2.213 8.784 0.162) 9.060 3.664 ( 2.122 10.589 1.424) 10.893 4.231 ( -10.871 -1.590 -5.204) 12.157 4.682 ( 1.221 -5.226 -2.226) 5.810 4.696 ( -2.613 -3.908 6.122) 7.719 5.626 ( -1.523 -2.944 -15.786) 16.130 5.978 ( 2.635 8.846 -6.332) 11.193 6.459 ( 7.597 6.355 15.126) 18.080 6.629 ( 3.797 -5.528 -6.677) 9.464 7.054 ( 10.860 -12.014 -2.149) 16.336 7.253 ( -1.631 2.501 10.498) 10.914 7.396 ( -6.479 2.682 -2.618) 7.485 7.734 ( -2.116 0.241 0.362) 2.160 8.058 ( -7.180 9.903 6.593) 13.896 8.820 ( 2.295 -1.691 -5.820) 6.481 9.268 ( 2.653 2.048 -3.924) 5.160 9.412 ( -2.508 -3.343 4.562) 6.187 9.949 ( -7.744 5.700 3.208) 10.137 10.591 ( -3.720 -1.942 0.286) 4.206 10.902 ( 8.878 -9.256 -3.200) 13.219 11.141 ( 2.860 1.803 -16.738) 17.076 11.439 ( -8.242 2.689 -0.105) 8.670 11.733 ( 9.791 4.608 -1.570) 10.934 11.948 ( 2.347 0.203 -5.421) 5.910 12.318 ( 3.420 -12.107 -4.696) 13.429 13.300 ( -2.858 8.487 17.268) 19.452 13.899 ( -2.525 -2.871 9.897) 10.610 ======================= Grid point 145 (65/275) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -11.681 -0.000 8.090) 14.209 1.983 ( -5.378 -0.000 13.692) 14.710 2.294 ( 0.964 0.000 15.198) 15.229 2.417 ( 1.814 0.000 15.095) 15.204 2.498 ( -0.885 -0.000 -2.176) 2.349 2.773 ( 17.943 0.000 6.104) 18.953 3.485 ( 0.288 0.000 -4.381) 4.390 3.964 ( 3.958 0.000 -1.019) 4.087 4.438 ( 5.038 0.000 -3.328) 6.038 4.472 ( -16.762 -0.000 -3.756) 17.177 4.652 ( -5.808 -0.000 12.510) 13.792 5.658 ( -3.467 -0.000 -15.329) 15.716 6.079 ( 13.666 0.000 -11.398) 17.795 6.396 ( 6.593 0.000 -4.624) 8.053 6.472 ( -0.624 -0.000 7.246) 7.273 6.581 ( 16.008 0.000 8.197) 17.985 7.209 ( 1.876 0.000 17.698) 17.797 7.609 ( -7.494 -0.000 -1.432) 7.629 7.792 ( -0.676 -0.000 -0.082) 0.681 8.325 ( -5.162 -0.000 -2.133) 5.586 8.756 ( 2.608 0.000 -3.431) 4.310 9.285 ( 1.036 0.000 -1.081) 1.497 9.506 ( -9.195 -0.000 1.396) 9.300 10.096 ( 10.052 0.000 7.144) 12.332 10.470 ( 2.542 0.000 -1.298) 2.854 10.621 ( -5.200 -0.000 1.703) 5.472 11.208 ( -0.567 -0.000 -8.927) 8.945 11.585 ( 2.041 0.000 -18.505) 18.617 11.806 ( 9.734 0.000 -8.828) 13.141 11.942 ( -1.385 -0.000 2.418) 2.786 11.955 ( 0.041 0.000 1.160) 1.161 13.512 ( -3.967 -0.000 12.844) 13.442 13.825 ( -4.627 -0.000 10.112) 11.121 ======================= Grid point 146 (66/275) ======================= q-point: (-0.22 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -16.235 -6.281 7.163) 18.824 1.883 ( -12.136 -3.020 13.682) 18.537 2.301 ( -1.444 6.252 8.971) 11.029 2.437 ( 0.676 -5.346 11.764) 12.940 2.659 ( 12.444 1.062 7.722) 14.684 3.040 ( 12.282 0.279 5.175) 13.331 3.418 ( -7.272 2.729 -0.773) 7.805 3.963 ( 3.528 12.970 1.000) 13.478 4.204 ( -11.091 -1.426 -8.093) 13.803 4.542 ( 3.110 -6.255 -4.056) 8.078 4.623 ( -1.948 -2.236 8.701) 9.192 5.572 ( -3.174 -1.561 -14.306) 14.736 6.170 ( 5.625 7.249 -12.742) 15.702 6.505 ( 0.901 -1.497 6.937) 7.154 6.539 ( 9.839 -2.956 3.896) 10.987 6.863 ( 13.071 -3.845 5.269) 14.608 7.274 ( -0.123 -0.204 15.254) 15.255 7.446 ( -10.149 1.367 -3.386) 10.785 7.772 ( -0.286 2.195 -1.127) 2.484 8.211 ( -5.911 3.593 0.729) 6.956 8.753 ( -4.167 -2.724 -1.574) 5.221 9.292 ( 0.242 0.088 -0.956) 0.991 9.427 ( 1.824 2.507 -1.840) 3.606 10.094 ( -8.079 6.198 0.919) 10.224 10.518 ( -1.986 -4.138 -0.603) 4.630 10.684 ( 9.884 -7.270 2.980) 12.627 11.180 ( 1.890 1.179 -11.821) 12.029 11.470 ( -10.275 0.503 -8.080) 13.082 11.851 ( 4.743 5.545 2.193) 7.619 11.949 ( 0.108 -0.632 -3.629) 3.686 12.098 ( 10.439 -7.202 -8.078) 15.036 13.490 ( 0.742 7.248 13.870) 15.668 13.806 ( -3.633 -4.631 11.279) 12.723 ======================= Grid point 147 (67/275) ======================= q-point: (-0.11 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -16.749 -11.060 6.455) 21.084 1.766 ( -15.560 -11.735 13.286) 23.586 2.238 ( 0.815 8.125 6.391) 10.369 2.538 ( 1.397 -1.920 13.658) 13.863 2.827 ( 3.513 1.450 7.645) 8.538 3.181 ( -6.527 2.520 4.680) 8.417 3.194 ( -0.983 1.991 2.729) 3.518 3.838 ( 1.655 13.937 1.242) 14.090 4.124 ( 0.498 -0.050 -10.617) 10.629 4.634 ( 1.349 -5.598 -2.400) 6.239 4.704 ( 6.372 -2.869 3.186) 7.680 5.514 ( -2.740 -3.500 -13.941) 14.632 6.086 ( -0.190 9.759 -7.135) 12.090 6.525 ( -3.071 -0.069 10.790) 11.219 6.755 ( 11.404 -0.104 2.386) 11.652 7.098 ( 4.912 -4.340 -0.071) 6.555 7.223 ( -5.343 -2.366 -0.071) 5.844 7.331 ( -1.970 0.599 5.632) 5.997 7.736 ( 0.422 3.145 -2.927) 4.317 8.057 ( -7.054 7.880 7.235) 12.814 8.693 ( -8.524 -7.669 -1.686) 11.590 9.284 ( -0.988 -0.038 -1.018) 1.419 9.484 ( 9.050 3.659 -3.796) 10.474 9.831 ( -13.651 5.000 -2.465) 14.745 10.528 ( -0.903 -3.765 -0.147) 3.874 10.921 ( 5.516 -6.879 -3.654) 9.544 11.148 ( -4.027 4.156 -12.633) 13.895 11.302 ( -3.679 -3.801 -0.456) 5.310 11.881 ( 1.896 2.205 4.157) 5.073 11.945 ( 0.071 -2.245 -8.273) 8.572 12.347 ( 14.273 -5.092 -3.684) 15.596 13.426 ( -1.058 11.876 16.686) 20.508 13.872 ( 0.980 -5.033 11.046) 12.178 ======================= Grid point 155 (68/275) ======================= q-point: (-0.22 -0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -18.864 -0.000 8.959) 20.883 1.636 ( -18.631 -0.000 13.609) 23.072 2.355 ( -0.018 -0.000 6.293) 6.293 2.492 ( 4.756 0.000 16.206) 16.889 2.837 ( -0.249 -0.000 6.849) 6.853 3.199 ( -14.510 -0.000 4.050) 15.065 3.225 ( 7.879 0.000 4.810) 9.232 4.083 ( 2.899 0.000 -15.397) 15.667 4.085 ( -1.112 -0.000 5.016) 5.138 4.542 ( 3.095 0.000 -5.362) 6.191 4.665 ( 6.386 0.000 4.600) 7.870 5.472 ( -3.422 -0.000 -12.919) 13.365 6.209 ( -1.157 -0.000 -11.953) 12.009 6.584 ( 3.559 0.000 5.090) 6.211 6.661 ( 8.482 0.000 10.486) 13.487 7.043 ( 8.660 0.000 6.757) 10.984 7.222 ( -11.380 -0.000 -3.599) 11.935 7.333 ( -1.640 -0.000 9.120) 9.266 7.795 ( 1.605 0.000 -3.582) 3.926 8.136 ( -5.800 -0.000 1.012) 5.887 8.598 ( -11.714 -0.000 3.726) 12.293 9.286 ( -0.571 -0.000 -1.796) 1.885 9.535 ( 9.757 0.000 -5.592) 11.246 9.906 ( -15.929 -0.000 -4.159) 16.463 10.476 ( -1.802 -0.000 -1.068) 2.094 10.814 ( 8.918 0.000 1.543) 9.050 11.212 ( 4.716 0.000 -10.097) 11.144 11.246 ( -14.511 -0.000 -4.097) 15.078 11.908 ( -0.433 -0.000 3.646) 3.671 11.915 ( -0.968 -0.000 -8.584) 8.638 12.292 ( 17.216 0.000 -3.161) 17.504 13.642 ( 6.200 0.000 11.718) 13.257 13.738 ( -4.004 -0.000 14.831) 15.362 ======================= Grid point 156 (69/275) ======================= q-point: (-0.11 -0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -18.022 -9.304 9.682) 22.474 1.395 ( -20.200 -8.028 14.945) 26.379 2.341 ( -6.158 5.844 9.314) 12.602 2.492 ( -26.374 -1.776 9.350) 28.038 2.626 ( 0.757 -2.683 15.466) 15.715 3.231 ( 10.022 2.838 2.022) 10.611 3.318 ( 3.342 0.849 3.259) 4.745 3.985 ( -1.966 10.837 3.631) 11.597 4.149 ( 6.609 -0.029 -16.015) 17.325 4.613 ( 4.161 -3.995 -3.378) 6.684 4.827 ( 10.128 -2.055 1.430) 10.432 5.402 ( -2.464 -2.388 -11.872) 12.358 6.117 ( -3.212 4.441 -8.238) 9.895 6.532 ( -6.193 9.190 11.603) 16.045 6.893 ( 7.888 -7.381 6.969) 12.856 7.030 ( -6.847 1.078 -6.166) 9.278 7.181 ( 4.281 -5.159 5.113) 8.431 7.333 ( -1.312 0.465 4.703) 4.905 7.784 ( 1.458 4.279 -6.663) 8.052 8.036 ( -5.331 3.540 6.383) 9.039 8.439 ( -12.184 -6.122 3.958) 14.199 9.255 ( -2.470 0.270 -4.356) 5.015 9.620 ( -10.752 4.013 -4.600) 12.364 9.696 ( 9.277 0.758 -5.658) 10.892 10.451 ( -3.073 -4.477 -2.026) 5.796 10.919 ( 0.776 -1.286 -3.223) 3.556 11.006 ( -10.627 1.224 -2.034) 10.889 11.283 ( 4.366 -3.518 -11.785) 13.051 11.874 ( -2.528 -0.217 -6.526) 7.002 11.895 ( -1.642 -1.279 -1.417) 2.518 12.590 ( 18.031 -1.400 1.351) 18.135 13.607 ( 0.157 14.866 19.236) 24.312 13.877 ( 4.572 -8.661 12.632) 15.984 ======================= Grid point 165 (70/275) ======================= q-point: (-0.11 -0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -17.606 -0.000 14.091) 22.550 1.049 ( -21.877 -0.000 18.094) 28.390 1.795 ( -44.390 -0.000 15.745) 47.100 2.488 ( 5.016 0.000 14.687) 15.520 2.707 ( 2.416 0.000 16.294) 16.472 3.335 ( -1.872 -0.000 2.453) 3.086 3.395 ( 6.347 0.000 -4.371) 7.707 4.014 ( -2.377 -0.000 2.680) 3.583 4.218 ( 5.840 0.000 -17.086) 18.056 4.683 ( 7.906 0.000 -2.223) 8.213 4.972 ( 8.517 0.000 0.523) 8.533 5.336 ( -0.205 -0.000 -9.938) 9.940 6.052 ( -4.141 -0.000 -8.337) 9.309 6.459 ( -15.003 -0.000 5.705) 16.051 6.952 ( 5.415 0.000 6.018) 8.095 7.020 ( 4.385 0.000 7.899) 9.034 7.195 ( -0.378 -0.000 5.363) 5.376 7.314 ( -1.544 -0.000 -1.981) 2.511 7.805 ( -0.353 -0.000 -10.574) 10.580 7.995 ( -2.994 -0.000 4.674) 5.550 8.248 ( -8.508 -0.000 9.934) 13.080 9.153 ( -8.670 -0.000 -9.539) 12.891 9.454 ( -7.901 -0.000 -3.489) 8.637 9.873 ( 11.041 0.000 -4.980) 12.112 10.351 ( -3.861 -0.000 -3.587) 5.270 10.839 ( -9.039 -0.000 2.756) 9.450 10.934 ( 0.913 0.000 -3.819) 3.927 11.220 ( -5.503 -0.000 -24.654) 25.260 11.820 ( -5.366 -0.000 -1.263) 5.513 11.825 ( -1.360 -0.000 -6.903) 7.035 12.856 ( 13.961 0.000 0.421) 13.967 13.884 ( 10.917 0.000 31.169) 33.025 13.888 ( 4.215 0.000 9.371) 10.275 ======================= Grid point 166 (71/275) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -5.669 -0.000 22.430) 23.135 0.946 ( 6.429 0.000 21.902) 22.826 1.855 ( -8.074 -0.000 41.072) 41.858 3.022 ( -3.678 -0.000 13.529) 14.020 3.130 ( -5.863 -0.000 2.315) 6.304 3.266 ( -2.110 -0.000 16.136) 16.273 3.395 ( -0.143 -0.000 -4.196) 4.199 3.920 ( -3.997 -0.000 -0.865) 4.090 4.497 ( 21.177 0.000 1.244) 21.214 4.873 ( 2.150 0.000 0.108) 2.153 5.092 ( -0.238 -0.000 -2.475) 2.486 5.268 ( 4.693 0.000 -5.437) 7.182 5.608 ( -4.642 -0.000 -13.922) 14.675 6.041 ( -13.608 -0.000 7.203) 15.397 7.076 ( -0.724 -0.000 -0.468) 0.862 7.098 ( -2.472 -0.000 -5.582) 6.105 7.276 ( -2.813 -0.000 6.278) 6.879 7.358 ( -8.739 -0.000 -10.440) 13.615 7.531 ( -1.491 -0.000 -5.388) 5.590 7.753 ( 10.985 0.000 3.245) 11.454 8.394 ( 1.707 0.000 7.032) 7.236 9.041 ( 2.670 0.000 -11.162) 11.477 9.565 ( 19.414 0.000 13.128) 23.436 10.142 ( 5.854 0.000 2.094) 6.217 10.243 ( 7.029 0.000 -4.857) 8.544 10.399 ( -14.345 -0.000 6.990) 15.958 10.726 ( -5.590 -0.000 4.369) 7.095 10.883 ( 0.350 0.000 -4.286) 4.300 11.618 ( 0.895 0.000 -8.924) 8.969 11.665 ( -2.902 -0.000 -1.372) 3.211 12.914 ( 0.475 0.000 -6.975) 6.991 14.230 ( -1.358 -0.000 13.738) 13.805 14.397 ( -11.033 -0.000 1.802) 11.179 ======================= Grid point 167 (72/275) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 0.915 -13.567 18.307) 22.805 1.289 ( 21.099 -3.651 19.181) 28.747 1.968 ( 5.173 -5.968 36.706) 37.546 2.960 ( -4.773 5.438 16.723) 18.221 3.026 ( -6.132 0.362 1.590) 6.345 3.262 ( -6.799 2.568 -0.683) 7.300 3.302 ( -5.192 -1.775 8.789) 10.361 3.807 ( -4.265 7.508 -0.578) 8.654 4.752 ( 4.097 0.558 -2.849) 5.021 4.914 ( 7.733 1.486 1.795) 8.077 5.028 ( -4.131 3.221 -2.851) 5.964 5.355 ( 6.958 -3.111 -7.598) 10.762 5.511 ( -3.491 -1.844 -14.483) 15.012 5.849 ( -10.829 0.016 10.014) 14.749 7.009 ( 1.630 12.265 -1.172) 12.428 7.062 ( 3.766 4.564 -4.636) 7.517 7.148 ( -1.865 0.018 0.496) 1.930 7.405 ( -4.738 -14.696 -0.229) 15.442 7.532 ( -0.163 -2.969 -6.556) 7.199 7.990 ( 8.336 -7.320 2.840) 11.452 8.429 ( 3.267 3.871 8.002) 9.470 9.065 ( 4.037 0.010 -9.835) 10.631 9.971 ( 20.038 -5.182 -4.484) 21.177 10.165 ( -2.846 4.622 7.357) 9.143 10.248 ( -4.926 -3.139 3.453) 6.785 10.424 ( 14.500 -0.247 -3.082) 14.826 10.664 ( -5.111 -3.870 4.267) 7.702 10.882 ( -0.765 -2.280 -6.349) 6.790 11.578 ( 1.779 4.160 -6.501) 7.921 11.684 ( 0.519 -4.943 -3.699) 6.196 12.869 ( -1.425 3.197 -6.815) 7.661 14.081 ( -13.225 10.536 14.007) 21.957 14.276 ( -6.840 -4.676 11.475) 14.154 ======================= Grid point 168 (73/275) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 6.594 -20.356 10.727) 23.936 1.682 ( 11.049 -9.667 19.650) 24.529 2.327 ( 20.132 -3.497 24.778) 32.117 2.826 ( -8.204 7.010 11.661) 15.888 2.938 ( -6.021 2.089 5.234) 8.247 3.060 ( -8.784 0.415 -4.718) 9.980 3.301 ( -3.844 -1.908 11.186) 11.981 3.641 ( -2.624 11.780 4.040) 12.727 4.689 ( -7.005 -0.242 -2.154) 7.332 4.882 ( -7.033 4.123 -0.786) 8.190 5.000 ( 3.000 3.665 -1.234) 4.895 5.437 ( -0.985 -1.369 -15.071) 15.165 5.552 ( 10.460 -4.140 -7.572) 13.560 5.789 ( -2.008 -6.216 6.970) 9.552 6.906 ( 1.055 10.174 0.418) 10.237 7.087 ( 7.066 5.933 -6.890) 11.515 7.160 ( -2.057 -5.682 0.660) 6.079 7.451 ( -4.020 -5.865 0.759) 7.151 7.583 ( 2.865 -6.129 -5.270) 8.576 8.137 ( 1.689 -2.231 5.904) 6.534 8.483 ( 5.160 1.398 6.610) 8.501 9.113 ( 3.611 -0.471 -5.505) 6.601 10.027 ( -4.682 7.363 8.722) 12.337 10.127 ( -2.694 0.857 -0.128) 2.830 10.371 ( 8.455 -9.090 -14.358) 18.981 10.628 ( 0.738 -3.602 2.074) 4.222 10.711 ( 10.886 -3.480 -0.087) 11.429 10.899 ( 4.536 -2.382 -8.790) 10.174 11.562 ( 2.882 3.387 -6.225) 7.651 11.743 ( 1.308 -4.458 -3.148) 5.612 12.769 ( -1.951 6.697 -6.745) 9.704 13.818 ( -11.365 7.353 19.093) 23.404 14.243 ( -6.387 -2.463 12.995) 14.687 ======================= Grid point 169 (74/275) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 8.977 -18.949 6.300) 21.894 1.980 ( 3.772 -15.028 18.735) 24.311 2.556 ( -6.807 9.243 9.678) 15.014 2.693 ( -0.341 -0.345 0.697) 0.849 2.810 ( -2.913 5.437 5.780) 8.453 3.063 ( 7.076 -3.862 12.817) 15.141 3.258 ( -4.014 0.629 6.788) 7.911 3.552 ( 3.198 7.320 9.389) 12.328 4.523 ( -12.103 3.150 -1.306) 12.574 4.736 ( -4.693 2.309 -3.098) 6.078 4.957 ( -3.647 1.858 0.614) 4.139 5.397 ( -0.401 -1.105 -14.510) 14.558 5.669 ( 2.388 -2.609 -3.604) 5.050 5.995 ( 12.779 -9.962 -1.133) 16.242 6.825 ( 0.545 7.647 0.999) 7.731 7.095 ( 2.659 3.938 -8.454) 9.697 7.202 ( -2.376 -7.794 2.320) 8.472 7.429 ( -0.949 1.366 -0.421) 1.715 7.692 ( 1.081 -8.035 -1.166) 8.191 8.144 ( -1.946 2.317 8.510) 9.032 8.600 ( 6.535 -2.076 2.677) 7.361 9.150 ( 2.134 0.390 -2.670) 3.440 9.884 ( -3.428 10.803 6.617) 13.124 10.032 ( -8.432 -0.738 -0.453) 8.476 10.512 ( 1.178 -10.423 -14.224) 17.673 10.624 ( -3.845 -4.934 1.703) 6.483 10.889 ( 10.336 4.406 -7.783) 13.668 11.131 ( 17.730 -6.963 -2.170) 19.171 11.553 ( 2.929 3.935 -6.584) 8.211 11.798 ( 0.544 -4.010 -2.376) 4.692 12.628 ( -2.448 9.288 -6.995) 11.882 13.665 ( -6.633 3.937 20.650) 22.043 14.194 ( -6.512 -1.795 13.686) 15.262 ======================= Grid point 170 (75/275) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 6.102 -12.206 6.339) 15.047 2.149 ( -7.050 0.112 12.112) 14.015 2.407 ( -2.932 -7.897 8.255) 11.794 2.566 ( -7.123 3.670 -1.093) 8.087 2.759 ( -1.664 0.887 6.537) 6.803 3.189 ( -1.260 -0.617 12.395) 12.474 3.365 ( 10.852 -0.437 14.140) 17.830 3.619 ( 6.623 1.092 6.871) 9.605 4.227 ( -16.242 5.988 -2.415) 17.478 4.674 ( 0.662 1.860 -4.115) 4.564 4.868 ( -5.365 0.744 1.913) 5.745 5.368 ( -0.101 -0.368 -12.761) 12.767 5.719 ( 0.835 -4.279 -4.578) 6.322 6.318 ( 14.428 -8.289 -5.491) 17.522 6.768 ( -0.084 4.314 4.125) 5.969 7.049 ( -2.578 0.433 -7.204) 7.664 7.247 ( -3.693 -8.314 1.219) 9.179 7.404 ( 2.510 4.863 -1.046) 5.572 7.766 ( -1.912 -6.270 3.164) 7.278 8.101 ( -3.161 1.327 9.414) 10.019 8.715 ( 4.021 -1.007 -2.012) 4.608 9.176 ( 3.638 0.674 -2.011) 4.211 9.718 ( -5.471 9.852 6.604) 13.061 9.868 ( -11.351 -0.814 -5.450) 12.617 10.574 ( -1.214 -5.731 -0.789) 5.911 10.661 ( 1.252 -6.293 -6.591) 9.199 10.950 ( 6.091 4.618 -9.453) 12.157 11.413 ( 1.286 -3.935 0.171) 4.144 11.618 ( 19.183 3.298 -6.639) 20.565 11.827 ( -1.465 -3.582 -2.505) 4.610 12.465 ( -1.506 10.248 -7.319) 12.683 13.621 ( -2.961 0.456 20.992) 21.205 14.155 ( -4.778 -1.734 14.081) 14.970 ======================= Grid point 171 (76/275) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -11.979 12.253 9.228) 19.463 2.145 ( -7.786 -6.028 2.541) 10.169 2.274 ( -3.263 5.142 12.812) 14.186 2.751 ( 7.487 -17.452 3.518) 19.313 2.785 ( 1.113 -4.313 7.406) 8.642 3.229 ( -1.035 -3.147 12.577) 13.006 3.442 ( -7.158 6.696 17.536) 20.090 3.712 ( 1.871 -2.754 5.152) 6.134 3.963 ( -4.086 3.057 -7.229) 8.849 4.676 ( 2.874 3.292 -3.491) 5.593 4.811 ( -0.083 0.093 1.793) 1.798 5.325 ( -0.918 1.174 -10.376) 10.482 5.766 ( 0.158 -5.629 -6.771) 8.806 6.542 ( 6.358 -1.335 -8.877) 11.000 6.791 ( 3.111 -3.016 7.594) 8.743 6.976 ( -5.005 -2.718 -4.491) 7.253 7.268 ( -4.714 -8.397 -0.157) 9.631 7.400 ( 4.855 6.851 -1.457) 8.523 7.783 ( -3.655 -3.175 6.641) 8.219 8.079 ( -3.338 -2.613 9.531) 10.432 8.705 ( -1.732 4.478 -5.965) 7.658 9.256 ( 5.475 -0.416 -1.759) 5.766 9.533 ( -9.526 2.779 2.113) 10.145 9.691 ( -6.209 2.712 -3.447) 7.602 10.599 ( 0.881 1.274 1.082) 1.889 10.739 ( 0.035 -8.428 -6.104) 10.406 10.931 ( 0.031 3.750 -8.136) 8.959 11.362 ( -3.550 2.670 -3.766) 5.824 11.804 ( -3.579 -1.700 -5.484) 6.766 11.909 ( 13.980 1.826 -0.878) 14.126 12.377 ( 7.209 6.575 -7.671) 12.411 13.663 ( -0.906 -3.503 21.250) 21.556 14.160 ( -1.235 -1.508 14.024) 14.158 ======================= Grid point 172 (77/275) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -12.252 13.697 11.911) 21.899 1.832 ( -19.841 8.191 6.620) 22.463 2.424 ( 4.604 -7.504 13.504) 16.121 2.862 ( -2.191 -3.415 12.371) 13.019 2.968 ( -10.971 -0.079 12.216) 16.420 3.156 ( -0.890 -3.416 6.243) 7.172 3.336 ( -0.163 -3.210 9.793) 10.307 3.812 ( 0.324 -7.566 3.963) 8.547 3.945 ( 4.125 0.960 -4.810) 6.409 4.664 ( 2.890 4.175 -2.482) 5.651 4.882 ( 7.054 0.326 -0.042) 7.062 5.263 ( -0.960 2.388 -8.089) 8.489 5.801 ( -0.796 -5.252 -9.287) 10.699 6.534 ( -6.366 -2.384 0.415) 6.810 6.831 ( -2.330 -1.603 -7.665) 8.170 7.027 ( 4.819 -5.228 5.323) 8.882 7.282 ( -4.499 -8.301 -0.583) 9.459 7.401 ( 5.458 7.704 -1.696) 9.592 7.762 ( -3.617 -0.831 7.183) 8.085 8.094 ( -3.039 -4.587 9.357) 10.855 8.552 ( -5.290 8.988 -6.336) 12.203 9.225 ( -9.045 -0.124 -2.143) 9.296 9.442 ( -1.825 -1.357 -4.196) 4.772 9.647 ( 6.171 2.323 1.143) 6.692 10.557 ( -1.121 7.308 -1.705) 7.588 10.793 ( -2.974 -7.594 -3.325) 8.807 10.850 ( -3.540 0.637 -4.594) 5.835 11.253 ( -2.782 5.843 -6.912) 9.468 11.723 ( -5.006 -0.581 -7.505) 9.040 11.964 ( 1.000 6.011 -0.472) 6.112 12.540 ( 15.685 -0.287 -6.954) 17.160 13.782 ( 1.505 -7.573 21.079) 22.449 14.219 ( 2.136 -0.870 13.445) 13.642 ======================= Grid point 173 (78/275) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -11.178 13.456 15.198) 23.173 1.421 ( -23.413 6.229 10.060) 26.234 2.397 ( -21.844 9.672 26.090) 35.375 2.739 ( 2.579 -5.654 18.271) 19.299 3.023 ( 2.043 -6.802 10.741) 12.877 3.277 ( 2.781 -1.371 2.805) 4.181 3.388 ( -0.461 -1.438 3.529) 3.838 3.879 ( -5.008 -12.216 3.207) 13.586 4.046 ( 9.725 1.088 -2.501) 10.100 4.697 ( 7.461 3.828 -2.526) 8.758 4.989 ( 5.989 0.168 -1.060) 6.085 5.216 ( 1.168 2.426 -5.904) 6.489 5.792 ( -2.286 -2.492 -11.571) 12.055 6.408 ( -15.329 -6.385 4.635) 17.241 6.834 ( 2.111 -4.909 -6.212) 8.194 7.139 ( 1.616 -1.942 2.399) 3.484 7.292 ( -5.300 -7.724 1.430) 9.476 7.406 ( 6.237 7.797 -2.146) 10.213 7.722 ( -2.632 1.787 4.958) 5.891 8.097 ( -2.047 3.943 2.108) 4.917 8.351 ( -6.841 3.716 -0.185) 7.787 9.085 ( -7.523 -3.032 -4.907) 9.480 9.399 ( -0.695 3.749 0.682) 3.873 9.801 ( 11.742 -0.288 -0.989) 11.787 10.403 ( -4.795 9.035 -2.546) 10.541 10.777 ( -6.893 -4.942 -1.637) 8.638 10.802 ( -2.612 -2.029 -2.866) 4.376 11.095 ( -4.335 9.014 -7.099) 12.265 11.642 ( -3.179 -1.478 -7.951) 8.690 11.879 ( -2.831 5.502 -0.914) 6.254 12.758 ( 10.688 -2.039 -6.867) 12.867 13.979 ( 3.466 -10.264 18.317) 21.281 14.315 ( 4.562 -0.862 11.685) 12.573 ======================= Grid point 174 (79/275) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -9.562 10.498 19.334) 23.989 1.038 ( -19.198 2.551 15.847) 25.023 2.016 ( -18.479 8.814 37.272) 42.525 2.947 ( 3.325 -8.388 14.814) 17.345 3.143 ( -0.026 -4.509 11.511) 12.363 3.290 ( -2.591 0.337 6.708) 7.199 3.369 ( 1.732 3.698 0.329) 4.097 3.935 ( -3.778 -8.688 0.692) 9.500 4.211 ( 13.147 0.661 0.728) 13.184 4.795 ( 8.324 2.104 -1.799) 8.772 5.062 ( 3.050 -1.063 -1.709) 3.655 5.222 ( 3.834 1.856 -4.533) 6.220 5.719 ( -3.943 0.158 -13.073) 13.656 6.228 ( -15.540 -5.298 5.080) 17.186 6.973 ( 3.265 -13.289 -3.435) 14.109 7.139 ( -3.111 -1.503 -0.384) 3.476 7.274 ( -6.302 -5.108 3.886) 8.995 7.426 ( 5.952 5.377 -4.437) 9.166 7.678 ( 2.161 6.321 3.089) 7.360 7.845 ( -10.379 18.553 -10.509) 23.715 8.333 ( -1.266 -5.952 7.547) 9.695 9.032 ( -0.950 -2.133 -5.905) 6.350 9.377 ( 4.667 5.652 9.280) 11.826 9.991 ( 11.643 0.450 -1.263) 11.720 10.250 ( -2.760 4.477 -2.142) 5.679 10.631 ( -14.207 -1.111 -1.252) 14.306 10.784 ( -3.489 -2.369 1.730) 4.558 10.931 ( -1.519 7.137 -3.262) 7.992 11.613 ( -0.978 -2.963 -7.865) 8.461 11.763 ( -3.990 4.515 -1.686) 6.256 12.884 ( 4.577 -1.835 -6.989) 8.553 14.160 ( 0.824 -6.935 14.331) 15.942 14.434 ( 2.877 -2.747 4.911) 6.320 ======================= Grid point 176 (80/275) ======================= q-point: ( 0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 5.891 0.000 17.980) 18.920 1.573 ( 9.455 0.000 21.719) 23.687 2.299 ( 26.104 0.000 24.460) 35.773 2.898 ( -8.467 -0.000 0.688) 8.495 2.961 ( -6.621 -0.000 20.919) 21.942 3.080 ( -11.315 -0.000 -10.068) 15.146 3.271 ( -3.633 -0.000 12.524) 13.041 3.781 ( -3.550 -0.000 0.606) 3.601 4.683 ( -6.438 -0.000 -0.449) 6.454 4.936 ( -8.686 -0.000 -1.366) 8.793 5.053 ( 2.057 0.000 -3.549) 4.102 5.417 ( -1.259 -0.000 -16.893) 16.940 5.492 ( 14.838 0.000 -8.385) 17.043 5.721 ( -6.160 -0.000 10.081) 11.814 7.059 ( -1.680 -0.000 -1.126) 2.022 7.151 ( 2.917 0.000 -9.539) 9.975 7.158 ( -6.211 -0.000 6.816) 9.221 7.250 ( 4.825 0.000 -0.207) 4.830 7.535 ( 3.866 0.000 -7.590) 8.518 8.103 ( 7.173 0.000 5.129) 8.818 8.518 ( 2.646 0.000 7.975) 8.402 9.110 ( 4.155 0.000 -5.926) 7.237 10.099 ( -0.773 -0.000 1.736) 1.900 10.190 ( 2.626 0.000 -5.692) 6.269 10.222 ( 0.484 0.000 2.437) 2.485 10.549 ( -6.340 -0.000 4.183) 7.596 10.686 ( 18.640 0.000 -1.356) 18.689 10.881 ( 4.798 0.000 -8.967) 10.169 11.625 ( 2.898 0.000 -10.779) 11.161 11.667 ( 1.631 0.000 0.968) 1.897 12.842 ( -1.772 -0.000 -7.846) 8.044 13.939 ( -13.575 -0.000 15.917) 20.919 14.187 ( -6.152 -0.000 14.871) 16.093 ======================= Grid point 177 (81/275) ======================= q-point: ( 0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 10.488 -12.785 11.961) 20.409 1.763 ( 4.605 -4.906 20.683) 21.750 2.674 ( -0.787 2.242 3.262) 4.035 2.741 ( -9.246 2.801 4.236) 10.549 2.912 ( 7.241 2.735 9.878) 12.549 2.987 ( 3.566 -1.896 11.926) 12.591 3.228 ( -6.027 -1.877 7.383) 9.714 3.720 ( -0.226 5.322 4.497) 6.972 4.579 ( -6.185 1.644 0.146) 6.402 4.762 ( -10.498 0.355 -0.947) 10.546 4.990 ( -5.991 0.951 -3.143) 6.832 5.374 ( 0.694 -0.791 -17.209) 17.241 5.631 ( 1.138 -0.951 -1.775) 2.313 5.828 ( 15.089 -4.406 -1.090) 15.757 6.988 ( -3.835 4.506 1.685) 6.153 7.049 ( -6.084 -1.063 1.233) 6.298 7.163 ( 1.734 0.653 -8.396) 8.598 7.369 ( 1.401 -6.647 1.766) 7.019 7.593 ( 4.360 -0.612 -5.393) 6.962 8.203 ( 3.765 2.142 6.183) 7.549 8.579 ( 3.414 -0.162 6.261) 7.133 9.164 ( 4.024 0.522 -2.374) 4.701 10.040 ( -6.198 1.555 -4.035) 7.557 10.107 ( -2.469 8.847 4.005) 10.021 10.289 ( -0.510 -9.222 -3.677) 9.941 10.499 ( -4.074 -5.157 1.707) 6.790 10.956 ( 9.532 1.930 -9.894) 13.873 11.027 ( 19.161 -2.750 -0.901) 19.379 11.631 ( 3.898 3.280 -7.805) 9.321 11.713 ( 0.799 -3.646 -1.498) 4.022 12.765 ( -3.013 3.193 -8.163) 9.269 13.786 ( -6.799 5.362 18.215) 20.168 14.128 ( -8.355 -3.369 15.293) 17.749 ======================= Grid point 178 (82/275) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 11.870 -16.676 6.238) 21.398 1.945 ( 2.436 -9.173 17.150) 19.601 2.460 ( -12.452 5.001 3.573) 13.886 2.605 ( -7.257 0.570 0.921) 7.337 2.853 ( -5.250 6.144 7.901) 11.302 3.150 ( -5.129 -2.857 9.545) 11.206 3.356 ( 17.470 -0.683 11.066) 20.691 3.711 ( 4.734 5.453 7.082) 10.115 4.375 ( -12.849 7.760 0.130) 15.011 4.663 ( -2.571 -2.997 -2.011) 4.431 4.866 ( -7.402 -0.666 -1.369) 7.557 5.356 ( 1.413 -0.465 -15.552) 15.623 5.649 ( 0.251 -2.084 -2.740) 3.452 6.145 ( 16.441 -6.346 -4.345) 18.150 6.879 ( -3.959 4.727 3.808) 7.247 6.966 ( -9.442 -6.233 -1.471) 11.409 7.161 ( 1.712 0.424 -8.081) 8.272 7.432 ( -1.643 -4.691 2.477) 5.553 7.648 ( 1.748 -1.709 -1.146) 2.700 8.206 ( 0.869 6.589 7.312) 9.881 8.675 ( 4.694 -2.344 1.786) 5.542 9.215 ( 4.783 2.105 -1.090) 5.338 9.843 ( -12.437 1.553 -7.948) 14.841 9.973 ( -3.903 10.025 7.010) 12.840 10.391 ( 1.789 -9.119 -1.237) 9.375 10.527 ( -1.029 -6.754 -1.421) 6.979 11.029 ( 5.942 2.616 -10.854) 12.648 11.330 ( 10.307 -2.739 -0.047) 10.665 11.672 ( 6.120 0.395 -0.013) 6.132 11.766 ( 5.779 -1.199 -8.699) 10.512 12.640 ( -3.575 5.557 -7.676) 10.128 13.699 ( -2.815 6.095 19.628) 20.745 14.081 ( -7.413 -4.920 15.091) 17.518 ======================= Grid point 179 (83/275) ======================= q-point: (-0.56 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 5.220 -10.251 4.485) 12.347 2.078 ( -5.733 0.298 9.604) 11.189 2.307 ( -1.086 -7.080 11.203) 13.297 2.493 ( -4.840 2.362 2.230) 5.829 2.722 ( -5.857 0.101 4.683) 7.499 3.153 ( -2.890 -4.481 12.212) 13.326 3.570 ( 6.729 3.490 11.006) 13.364 3.758 ( 2.445 5.968 7.775) 10.102 4.063 ( -11.251 6.948 -4.073) 13.837 4.687 ( 0.455 -2.569 -2.293) 3.474 4.789 ( -1.723 -1.800 0.149) 2.496 5.341 ( 1.033 0.439 -12.644) 12.693 5.669 ( 0.083 -2.920 -4.687) 5.523 6.444 ( 12.369 -6.314 -7.096) 15.595 6.783 ( -5.616 0.999 6.359) 8.543 6.875 ( -8.768 -6.481 -1.692) 11.034 7.169 ( 1.749 -0.284 -7.046) 7.266 7.445 ( -2.874 -4.244 2.342) 5.635 7.679 ( -1.231 -3.025 2.713) 4.245 8.154 ( 0.589 7.861 7.490) 10.874 8.755 ( 2.858 0.074 -2.699) 3.932 9.279 ( 6.613 2.422 -1.440) 7.188 9.587 ( -13.684 2.264 -6.241) 15.210 9.819 ( -4.140 8.201 6.053) 11.002 10.521 ( 2.527 -8.033 -0.557) 8.439 10.585 ( 0.415 -5.373 -2.543) 5.959 11.022 ( 0.514 4.182 -8.781) 9.739 11.387 ( -0.948 0.395 -4.327) 4.447 11.719 ( -3.975 -5.152 -1.541) 6.688 11.971 ( 18.527 2.789 -5.309) 19.474 12.516 ( -0.410 5.626 -7.278) 9.208 13.663 ( -1.845 3.410 21.256) 21.607 14.086 ( -3.285 -5.133 14.372) 15.610 ======================= Grid point 180 (84/275) ======================= q-point: (-0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -13.017 10.232 9.964) 19.324 1.963 ( -9.393 3.938 4.843) 11.278 2.349 ( 2.177 2.317 12.197) 12.605 2.665 ( 6.564 -19.949 4.379) 21.452 2.727 ( -1.418 -8.989 4.988) 10.378 3.189 ( -3.534 -1.917 14.164) 14.723 3.446 ( -11.105 15.484 14.114) 23.712 3.720 ( -1.186 -1.201 2.700) 3.184 3.977 ( 4.380 1.300 -4.295) 6.271 4.693 ( -0.187 -1.875 -1.771) 2.585 4.863 ( 5.770 -1.976 -0.471) 6.117 5.310 ( 0.550 1.943 -9.608) 9.818 5.691 ( -0.118 -3.890 -6.378) 7.472 6.535 ( -4.418 1.013 -4.363) 6.291 6.721 ( -7.896 -8.576 -2.379) 11.898 6.894 ( 3.569 -5.824 5.279) 8.633 7.183 ( 1.241 -0.639 -4.989) 5.181 7.459 ( -1.394 -4.509 1.765) 5.039 7.691 ( -2.395 -3.196 4.173) 5.776 8.107 ( 0.913 6.574 7.302) 9.868 8.738 ( 0.683 6.413 -5.246) 8.313 9.256 ( -10.269 3.109 -4.949) 11.815 9.435 ( 3.458 0.987 -1.020) 3.738 9.728 ( 1.298 5.023 4.139) 6.636 10.607 ( -3.321 -8.041 -4.056) 9.599 10.650 ( 4.229 -0.779 0.661) 4.351 10.909 ( -5.249 5.039 -5.890) 9.362 11.334 ( -1.474 2.004 -7.747) 8.137 11.674 ( -5.847 -3.802 -6.260) 9.372 12.111 ( 4.353 6.702 -0.814) 8.033 12.534 ( 9.157 -0.269 -7.589) 11.896 13.690 ( 0.101 -0.799 22.186) 22.201 14.154 ( 0.238 -4.668 13.527) 14.312 ======================= Grid point 181 (85/275) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -18.139 8.944 11.058) 23.050 1.659 ( -12.006 16.435 9.688) 22.541 2.476 ( 4.451 -3.804 13.601) 14.808 2.810 ( -9.379 5.781 18.598) 21.616 2.840 ( -2.368 -7.019 6.506) 9.859 3.138 ( 3.417 -8.838 3.656) 10.156 3.327 ( -1.139 -1.564 10.745) 10.918 3.692 ( -6.566 -4.068 3.175) 8.351 4.075 ( 9.645 1.412 -1.848) 9.922 4.739 ( 4.783 -0.623 -1.927) 5.194 4.966 ( 3.868 -2.271 -1.728) 4.806 5.277 ( 1.958 3.003 -7.430) 8.250 5.709 ( -1.061 -4.038 -7.570) 8.645 6.363 ( -12.487 1.225 1.373) 12.621 6.695 ( -4.990 -8.662 -6.018) 11.668 7.025 ( -0.168 -6.754 3.288) 7.514 7.194 ( 0.026 -1.291 -0.471) 1.375 7.516 ( 3.570 -1.605 0.321) 3.928 7.698 ( -1.666 -2.583 3.069) 4.343 8.083 ( 0.219 3.128 7.351) 7.991 8.615 ( -1.096 13.350 -4.167) 14.028 9.047 ( -7.839 0.423 -7.490) 10.850 9.482 ( 3.805 3.724 2.439) 5.857 9.802 ( 10.090 0.695 0.228) 10.116 10.555 ( -7.887 -0.101 -2.791) 8.367 10.704 ( 1.134 1.937 -0.168) 2.251 10.767 ( -4.914 -0.801 -4.378) 6.630 11.248 ( -2.206 4.634 -9.721) 10.993 11.595 ( -5.354 -2.969 -7.598) 9.758 12.031 ( -2.162 8.026 -0.512) 8.328 12.691 ( 7.363 -4.107 -6.483) 10.635 13.801 ( 2.176 -5.091 21.226) 21.936 14.254 ( 1.521 -4.390 12.404) 13.246 ======================= Grid point 182 (86/275) ======================= q-point: (-0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -17.795 7.582 14.772) 24.338 1.350 ( -5.799 19.641 13.895) 24.748 2.359 ( -13.039 21.074 28.027) 37.411 2.734 ( 0.973 -9.176 16.260) 18.695 2.977 ( 1.002 -9.495 6.155) 11.360 3.294 ( -0.035 -2.821 7.220) 7.751 3.386 ( 1.749 -3.644 1.817) 4.431 3.662 ( -6.597 -11.883 4.144) 14.209 4.237 ( 12.800 1.579 0.992) 12.935 4.835 ( 6.660 0.393 -2.569) 7.149 5.022 ( 0.693 -2.575 -2.577) 3.708 5.280 ( 4.631 3.162 -6.142) 8.316 5.693 ( -2.883 -2.657 -8.629) 9.477 6.149 ( -12.951 0.020 3.268) 13.357 6.726 ( -1.602 -10.302 -4.782) 11.470 7.035 ( -6.595 -6.729 0.213) 9.424 7.212 ( -0.273 -0.417 3.022) 3.062 7.567 ( 3.663 4.416 -1.961) 6.064 7.712 ( -0.249 -0.997 1.563) 1.871 8.090 ( -0.593 -1.393 5.754) 5.950 8.412 ( -1.808 16.510 -1.727) 16.698 8.981 ( 1.424 -1.207 -10.683) 10.845 9.527 ( 8.853 6.568 4.560) 11.929 9.992 ( 12.580 -0.400 -1.703) 12.701 10.376 ( -8.939 4.241 0.114) 9.895 10.602 ( -9.572 -0.272 -4.633) 10.638 10.757 ( 0.442 0.317 0.224) 0.588 11.114 ( -2.481 7.927 -7.694) 11.323 11.541 ( -3.004 -3.505 -7.183) 8.539 11.896 ( -3.379 7.364 -1.569) 8.253 12.804 ( 2.324 -5.436 -5.843) 8.312 13.956 ( 0.111 -8.913 18.400) 20.446 14.352 ( 0.337 -4.482 10.194) 11.141 ======================= Grid point 183 (87/275) ======================= q-point: (-0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 5.265 6.452 20.019) 21.682 1.122 ( -1.164 18.232 16.201) 24.418 2.042 ( -8.915 16.821 36.453) 41.125 2.887 ( -1.521 -9.626 15.690) 18.470 3.067 ( -2.695 -5.887 2.367) 6.894 3.294 ( -2.874 0.721 12.496) 12.843 3.386 ( -3.221 -0.056 -0.874) 3.338 3.752 ( -3.556 -14.355 0.509) 14.798 4.486 ( 18.319 -0.483 2.800) 18.538 4.896 ( 1.766 1.124 -1.828) 2.779 5.039 ( -1.521 -3.565 -2.801) 4.782 5.314 ( 5.537 3.373 -6.120) 8.916 5.624 ( -3.909 0.342 -11.329) 11.990 5.982 ( -10.525 -2.043 6.463) 12.518 6.841 ( 1.545 -12.545 -2.810) 12.948 7.010 ( -3.949 -6.799 -1.745) 8.054 7.192 ( -1.945 1.699 2.425) 3.543 7.536 ( 1.754 6.862 -4.464) 8.372 7.670 ( -5.864 2.280 -0.899) 6.356 8.037 ( 2.159 16.137 -1.787) 16.379 8.315 ( 2.313 -1.122 7.118) 7.568 9.021 ( 4.463 -0.946 -11.787) 12.639 9.690 ( 20.083 8.137 3.735) 21.988 10.168 ( 4.474 1.272 1.717) 4.958 10.247 ( 2.006 -0.077 -0.009) 2.007 10.409 ( -11.114 1.455 -0.655) 11.228 10.742 ( -1.508 2.067 2.138) 3.334 10.976 ( -1.950 7.383 -5.129) 9.198 11.537 ( -0.444 -4.239 -6.580) 7.839 11.768 ( -2.176 6.254 -3.182) 7.347 12.858 ( -0.605 -5.167 -5.976) 7.923 14.069 ( -5.466 -10.965 15.636) 19.865 14.381 ( -5.165 -2.012 7.807) 9.575 ======================= Grid point 186 (88/275) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 13.974 0.000 9.825) 17.082 1.849 ( 2.792 0.000 16.300) 16.538 2.512 ( -11.180 -0.000 -2.303) 11.414 2.614 ( -9.469 -0.000 5.845) 11.128 2.946 ( -3.177 -0.000 13.846) 14.206 3.098 ( -9.636 -0.000 3.886) 10.390 3.346 ( 21.290 0.000 11.554) 24.223 3.778 ( 2.714 0.000 4.988) 5.679 4.539 ( -1.618 -0.000 0.925) 1.864 4.554 ( -13.179 -0.000 -0.636) 13.194 4.856 ( -8.551 -0.000 -3.002) 9.062 5.351 ( 2.217 0.000 -16.770) 16.916 5.627 ( 0.515 0.000 -1.956) 2.023 6.076 ( 17.450 0.000 -4.809) 18.101 6.862 ( -10.450 -0.000 -1.444) 10.549 6.971 ( -6.296 -0.000 4.439) 7.703 7.175 ( 2.314 0.000 -8.869) 9.166 7.339 ( -2.061 -0.000 4.336) 4.801 7.643 ( 2.672 0.000 -3.528) 4.426 8.296 ( 3.255 0.000 5.010) 5.975 8.641 ( 3.534 0.000 4.354) 5.608 9.241 ( 5.422 0.000 -0.069) 5.423 9.866 ( -11.532 -0.000 -12.968) 17.354 10.131 ( -8.201 -0.000 8.855) 12.069 10.258 ( 6.529 0.000 3.035) 7.200 10.424 ( -1.309 -0.000 -1.625) 2.087 11.058 ( 6.162 0.000 -11.254) 12.830 11.302 ( 13.067 0.000 -0.658) 13.083 11.662 ( -3.370 -0.000 4.026) 5.251 11.763 ( 13.290 0.000 -12.298) 18.107 12.699 ( -4.339 -0.000 -7.226) 8.428 13.804 ( -0.887 -0.000 16.230) 16.255 13.993 ( -10.425 -0.000 17.527) 20.393 ======================= Grid point 187 (89/275) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 14.082 -8.181 5.890) 17.318 1.928 ( -0.354 -4.827 11.331) 12.321 2.354 ( -6.800 4.016 4.829) 9.257 2.498 ( -6.865 -1.888 7.460) 10.312 2.840 ( -8.539 8.819 6.201) 13.753 3.025 ( -5.005 -7.466 10.299) 13.670 3.613 ( 8.859 1.025 7.044) 11.365 3.850 ( 5.852 1.804 4.757) 7.755 4.273 ( -12.022 10.651 -0.929) 16.089 4.568 ( -3.446 -7.544 -1.175) 8.376 4.754 ( -2.072 -1.046 -0.354) 2.348 5.348 ( 2.396 0.225 -14.133) 14.336 5.636 ( 1.142 -0.498 -4.220) 4.400 6.341 ( 14.551 -2.542 -5.677) 15.825 6.686 ( -13.712 -4.944 -1.609) 14.664 6.875 ( -4.729 2.409 4.195) 6.765 7.190 ( 3.002 0.970 -8.032) 8.629 7.317 ( -5.420 -4.601 6.696) 9.766 7.653 ( -0.796 -0.418 -0.729) 1.158 8.318 ( 1.702 5.223 4.293) 6.972 8.731 ( 5.325 -1.414 0.599) 5.542 9.333 ( 6.833 1.794 0.263) 7.070 9.631 ( -11.860 1.505 -11.323) 16.466 9.980 ( -8.340 4.990 9.429) 13.541 10.387 ( 4.273 -2.269 0.286) 4.846 10.454 ( 2.123 -6.198 -1.200) 6.661 11.091 ( 2.075 1.821 -8.999) 9.413 11.400 ( 1.534 0.776 -6.115) 6.352 11.618 ( -4.723 -3.265 1.023) 5.832 12.010 ( 18.565 0.879 -6.787) 19.786 12.601 ( -3.772 2.061 -5.861) 7.268 13.786 ( -2.612 7.287 18.419) 19.980 13.950 ( -4.357 -7.275 15.964) 18.077 ======================= Grid point 188 (90/275) ======================= q-point: (-0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -3.129 -1.504 4.888) 5.996 2.069 ( 3.591 -2.186 8.121) 9.145 2.266 ( 0.532 -6.283 11.222) 12.872 2.487 ( -0.825 -0.073 9.656) 9.692 2.600 ( -11.413 2.513 3.684) 12.253 3.090 ( -0.833 -6.370 12.195) 13.783 3.677 ( -0.446 1.517 4.689) 4.948 3.879 ( -4.399 16.367 8.643) 19.025 3.998 ( 0.039 1.820 -6.217) 6.479 4.579 ( -3.525 -8.513 -2.268) 9.489 4.812 ( 4.635 -2.223 0.980) 5.233 5.344 ( 2.050 1.146 -10.533) 10.792 5.648 ( 1.285 -0.414 -6.053) 6.202 6.518 ( -13.478 -8.628 -1.408) 16.064 6.532 ( 4.333 -1.367 -6.915) 8.274 6.820 ( -0.778 -0.740 5.465) 5.569 7.196 ( -0.548 0.059 -1.712) 1.798 7.323 ( -0.736 -4.799 2.785) 5.597 7.638 ( -2.276 -2.190 1.211) 3.382 8.281 ( 1.380 7.452 3.374) 8.296 8.818 ( 4.993 1.533 -2.306) 5.710 9.343 ( -7.488 4.261 -8.358) 12.003 9.477 ( 4.091 2.254 1.184) 4.818 9.841 ( -4.084 4.501 7.086) 9.335 10.441 ( -1.553 -5.756 -2.355) 6.410 10.587 ( 5.564 -4.462 -0.455) 7.147 11.027 ( -3.080 4.922 -5.649) 8.101 11.360 ( -1.594 0.779 -8.985) 9.159 11.576 ( -5.444 -4.610 -4.607) 8.492 12.223 ( 9.083 3.390 -1.725) 9.848 12.532 ( 0.434 0.154 -5.735) 5.754 13.732 ( -1.572 3.992 20.266) 20.715 14.036 ( 0.319 -5.823 14.171) 15.324 ======================= Grid point 189 (91/275) ======================= q-point: (-0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -14.924 8.455 8.338) 19.072 2.002 ( -4.267 13.044 12.977) 18.888 2.416 ( -1.242 0.023 9.310) 9.393 2.569 ( 6.997 -19.954 4.533) 21.626 2.616 ( -0.063 -9.754 8.191) 12.738 3.172 ( -0.316 -2.277 13.538) 13.732 3.497 ( -9.910 19.710 9.200) 23.903 3.653 ( -6.128 0.128 -0.235) 6.134 4.098 ( 9.787 0.705 -1.274) 9.894 4.652 ( 2.373 -7.507 -1.651) 8.044 4.907 ( 3.094 -2.758 -0.490) 4.174 5.337 ( 2.550 2.284 -7.742) 8.465 5.653 ( 0.463 -0.931 -7.249) 7.323 6.360 ( -13.827 -5.170 0.293) 14.765 6.530 ( -3.594 -2.648 -6.667) 8.023 6.883 ( -0.730 -6.001 3.004) 6.750 7.181 ( -1.421 -1.485 5.222) 5.612 7.409 ( 4.682 -3.738 -0.696) 6.031 7.646 ( -0.572 -3.211 1.319) 3.518 8.225 ( 0.891 7.739 2.212) 8.098 8.834 ( 2.506 6.774 -1.840) 7.454 9.115 ( -7.881 5.425 -7.329) 12.052 9.559 ( 6.357 3.455 3.869) 8.204 9.829 ( 5.613 1.260 1.970) 6.081 10.443 ( -5.895 -6.165 -2.159) 8.798 10.700 ( 3.142 -2.667 -2.172) 4.659 10.876 ( -4.360 7.615 -3.393) 9.408 11.299 ( -2.046 0.404 -10.788) 10.987 11.516 ( -5.490 -4.076 -7.304) 10.005 12.201 ( -1.889 7.378 0.267) 7.621 12.590 ( 2.844 -4.948 -4.450) 7.237 13.763 ( 1.629 0.950 19.492) 19.583 14.145 ( 1.028 -5.284 13.220) 14.274 ======================= Grid point 190 (92/275) ======================= q-point: (-0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -13.549 12.140 12.785) 22.235 1.777 ( -4.446 19.069 14.132) 24.147 2.513 ( 2.571 -7.426 9.886) 12.629 2.755 ( -0.699 -9.270 10.176) 13.783 2.809 ( -0.676 0.130 10.013) 10.036 3.116 ( -1.448 2.922 6.390) 7.174 3.315 ( -2.756 -1.459 14.123) 14.463 3.549 ( -7.729 -1.460 -0.230) 7.869 4.269 ( 12.512 1.136 0.758) 12.586 4.784 ( 4.800 -5.211 -1.822) 7.315 4.965 ( 1.087 -2.477 -1.875) 3.291 5.347 ( 4.750 2.822 -6.947) 8.876 5.638 ( -1.744 -1.772 -7.178) 7.596 6.180 ( -11.085 0.662 0.488) 11.116 6.511 ( -3.146 -8.599 -5.484) 10.673 6.885 ( -7.276 -6.683 0.820) 9.913 7.221 ( 2.528 0.181 5.622) 6.167 7.534 ( 4.041 -5.086 2.263) 6.879 7.688 ( 2.043 -1.272 -0.305) 2.426 8.154 ( -0.657 6.760 1.585) 6.974 8.708 ( -5.063 10.584 2.043) 11.909 9.014 ( 4.225 4.027 -10.654) 12.148 9.643 ( 9.083 4.314 4.635) 11.073 9.978 ( 11.410 -0.956 -1.213) 11.514 10.359 ( -10.454 -3.991 -1.263) 11.261 10.642 ( -8.337 2.290 -4.662) 9.823 10.814 ( 4.976 4.881 -1.112) 7.058 11.225 ( -1.820 2.085 -10.973) 11.317 11.460 ( -3.870 -3.939 -7.596) 9.391 12.064 ( -4.023 7.884 -0.354) 8.858 12.663 ( -0.962 -7.213 -2.789) 7.793 13.841 ( 0.336 -1.827 17.997) 18.092 14.247 ( 0.109 -5.128 12.204) 13.238 ======================= Grid point 191 (93/275) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 5.769 11.250 17.081) 21.251 1.555 ( -0.814 20.337 13.438) 24.389 2.518 ( -7.814 24.221 22.533) 33.992 2.676 ( -0.535 -9.380 14.091) 16.936 2.906 ( 0.547 -8.015 5.858) 9.942 3.228 ( -1.133 -9.567 -0.358) 9.640 3.364 ( -0.866 -6.297 13.001) 14.472 3.445 ( -8.306 -4.963 1.642) 9.814 4.485 ( 14.358 0.100 3.140) 14.698 4.876 ( 1.367 -3.244 -3.011) 4.632 4.981 ( -1.697 -1.526 -2.035) 3.058 5.392 ( 6.928 3.452 -7.613) 10.857 5.602 ( -2.680 -1.802 -6.983) 7.693 6.008 ( -7.327 3.122 1.215) 8.056 6.598 ( 2.296 -11.066 -3.889) 11.952 6.844 ( -5.935 -7.687 -0.710) 9.737 7.253 ( 1.896 3.175 2.834) 4.659 7.623 ( 1.205 -0.587 1.519) 2.026 7.715 ( 0.484 1.937 0.309) 2.021 8.092 ( -0.505 1.269 3.340) 3.609 8.525 ( -3.137 11.039 1.715) 11.604 9.043 ( 6.457 3.336 -10.696) 12.932 9.814 ( 15.858 3.093 2.404) 16.334 10.161 ( 2.786 -2.123 -1.066) 3.661 10.229 ( -1.619 -1.224 0.422) 2.073 10.463 ( -7.239 3.178 -4.914) 9.309 10.827 ( 3.266 5.558 -0.316) 6.454 11.129 ( -2.156 5.364 -10.359) 11.863 11.446 ( -0.757 -4.360 -6.812) 8.123 11.915 ( -3.498 7.231 -1.861) 8.245 12.704 ( -3.201 -8.488 -2.492) 9.408 13.889 ( -4.879 -4.660 17.393) 18.656 14.313 ( -2.253 -4.072 11.187) 12.116 ======================= Grid point 192 (94/275) ======================= q-point: (-0.11 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 9.897 16.087 11.946) 22.348 1.444 ( 16.663 12.440 15.468) 25.917 2.242 ( -2.349 19.256 30.603) 36.234 2.791 ( -3.205 -9.100 14.460) 17.383 2.969 ( -3.118 -4.957 2.998) 6.579 3.201 ( -8.081 -2.572 -1.549) 8.621 3.350 ( -3.410 2.109 9.413) 10.231 3.525 ( -3.458 -16.824 4.652) 17.795 4.717 ( 8.115 -2.623 -0.026) 8.528 4.891 ( -0.018 -0.464 0.850) 0.968 4.941 ( -4.191 -3.865 -3.046) 6.464 5.444 ( 7.269 4.370 -9.389) 12.653 5.547 ( -2.036 0.678 -9.106) 9.356 5.887 ( -4.449 3.946 4.860) 7.680 6.768 ( 3.618 -9.504 -1.146) 10.234 6.901 ( 3.400 -10.013 -4.408) 11.457 7.230 ( 0.377 5.371 1.447) 5.575 7.587 ( -4.854 2.306 -1.022) 5.470 7.644 ( 0.464 8.432 -2.235) 8.735 8.132 ( 0.860 -0.575 6.011) 6.100 8.410 ( 2.355 6.631 3.659) 7.931 9.079 ( 4.651 1.896 -8.525) 9.894 10.020 ( -2.066 -6.712 7.631) 10.370 10.110 ( 6.796 4.569 -4.275) 9.238 10.326 ( 2.405 2.188 -2.747) 4.256 10.428 ( 12.769 0.856 -4.974) 13.730 10.793 ( 0.439 7.276 1.671) 7.478 10.979 ( -4.242 6.063 -10.159) 12.568 11.492 ( 2.520 -3.899 -5.717) 7.365 11.800 ( -0.931 5.712 -3.378) 6.701 12.737 ( -2.946 -8.623 -3.915) 9.918 13.873 ( -10.279 -6.917 18.118) 21.949 14.312 ( -4.842 -0.907 11.300) 12.327 ======================= Grid point 196 (95/275) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -1.554 -0.000 8.399) 8.541 1.909 ( 14.235 0.000 4.366) 14.889 2.349 ( -1.193 -0.000 7.179) 7.277 2.366 ( -9.630 -0.000 12.298) 15.619 2.729 ( -13.769 -0.000 8.310) 16.082 2.979 ( 1.872 0.000 10.500) 10.665 3.689 ( -1.002 -0.000 2.877) 3.047 3.976 ( 7.354 0.000 -0.299) 7.360 4.202 ( -5.330 -0.000 0.982) 5.419 4.393 ( -8.598 -0.000 -2.513) 8.957 4.786 ( 4.373 0.000 1.878) 4.759 5.357 ( 2.450 0.000 -10.874) 11.146 5.649 ( 2.093 0.000 -5.969) 6.325 6.414 ( -15.157 -0.000 -1.963) 15.283 6.509 ( 8.930 0.000 -6.262) 10.907 6.823 ( -4.253 -0.000 3.557) 5.544 7.177 ( -5.640 -0.000 7.365) 9.276 7.287 ( 5.346 0.000 -3.302) 6.283 7.610 ( -3.279 -0.000 -0.338) 3.297 8.369 ( 0.257 0.000 2.192) 2.207 8.829 ( 7.029 0.000 -0.764) 7.070 9.399 ( -5.604 -0.000 -11.194) 12.518 9.505 ( 4.097 0.000 2.421) 4.758 9.889 ( -7.918 -0.000 9.793) 12.594 10.388 ( -0.822 -0.000 -3.491) 3.586 10.518 ( 7.476 0.000 0.389) 7.486 11.087 ( -1.559 -0.000 -5.660) 5.871 11.371 ( -2.823 -0.000 -10.574) 10.945 11.515 ( -4.731 -0.000 -2.839) 5.517 12.258 ( 11.729 0.000 -2.436) 11.979 12.536 ( -3.736 -0.000 -4.311) 5.705 13.804 ( -4.976 -0.000 18.945) 19.587 13.947 ( 3.127 0.000 14.591) 14.922 ======================= Grid point 197 (96/275) ======================= q-point: (-0.56 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -2.953 6.789 8.297) 11.120 2.159 ( 5.245 -0.291 7.432) 9.101 2.222 ( -2.560 -7.129 8.262) 11.209 2.392 ( -5.251 -5.695 6.922) 10.388 2.539 ( -6.192 4.270 17.043) 18.629 3.079 ( 3.019 -3.992 10.600) 11.722 3.631 ( -5.678 -0.004 -0.203) 5.682 3.955 ( -5.889 15.010 -4.967) 16.872 4.131 ( 8.377 5.398 3.003) 10.408 4.417 ( 0.486 -14.203 0.320) 14.215 4.863 ( 3.333 -1.134 0.910) 3.636 5.367 ( 2.286 0.586 -7.217) 7.593 5.660 ( 1.646 0.896 -7.647) 7.873 6.203 ( -13.337 -5.430 -1.748) 14.506 6.552 ( -1.496 1.720 -6.351) 6.748 6.783 ( -3.192 -2.862 3.239) 5.373 7.131 ( -3.365 -1.840 12.496) 13.072 7.395 ( 8.483 0.878 -4.818) 9.795 7.573 ( -1.859 -2.606 -1.002) 3.354 8.353 ( -0.065 3.350 0.620) 3.407 8.920 ( 4.480 1.697 -0.178) 4.794 9.234 ( -6.338 4.067 -9.128) 11.833 9.622 ( 7.343 1.967 5.563) 9.419 9.829 ( -0.960 -1.109 5.629) 5.817 10.361 ( -2.759 -1.220 -3.232) 4.422 10.639 ( 5.546 -2.227 -2.869) 6.629 11.009 ( -3.430 4.024 -2.902) 6.031 11.279 ( -4.743 -1.529 -11.820) 12.828 11.447 ( -3.762 -1.758 -6.763) 7.936 12.337 ( 0.323 4.876 1.247) 5.043 12.489 ( -1.939 -4.051 -3.248) 5.542 13.805 ( 0.494 1.873 17.161) 17.269 14.049 ( 2.007 -3.003 13.977) 14.436 ======================= Grid point 198 (97/275) ======================= q-point: (-0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -8.210 15.145 10.377) 20.111 2.123 ( -2.015 10.618 15.361) 18.782 2.351 ( -2.099 -6.616 6.768) 9.695 2.463 ( 2.739 -16.219 3.459) 16.809 2.597 ( 2.326 -6.678 16.629) 18.070 3.190 ( 0.959 -3.497 14.037) 14.498 3.525 ( -6.113 0.638 -2.978) 6.830 3.621 ( -7.396 22.774 2.274) 24.053 4.269 ( 9.635 -1.911 -1.760) 9.979 4.622 ( 6.922 -9.111 1.823) 11.587 4.918 ( 1.668 -1.720 -0.472) 2.442 5.388 ( 3.479 0.766 -5.344) 6.422 5.633 ( -0.706 1.374 -8.521) 8.660 6.096 ( -8.144 -7.316 -1.335) 11.029 6.437 ( -6.366 1.163 -5.036) 8.200 6.762 ( -5.868 -4.457 2.072) 7.654 7.187 ( 2.404 -2.793 13.173) 13.679 7.483 ( 5.083 0.753 -3.922) 6.465 7.625 ( 3.618 -4.180 -2.086) 5.909 8.304 ( -0.052 5.829 -0.665) 5.867 8.892 ( -4.623 6.375 3.657) 8.683 9.113 ( 1.980 4.336 -7.594) 8.966 9.720 ( 7.291 3.005 6.335) 10.116 9.929 ( 7.314 -3.962 0.633) 8.343 10.292 ( -6.415 -1.308 -3.220) 7.296 10.679 ( -1.863 1.425 -5.428) 5.913 10.928 ( 2.531 4.909 -1.960) 5.861 11.207 ( -3.365 -3.385 -11.527) 12.476 11.389 ( -3.449 -2.124 -8.283) 9.220 12.226 ( -4.497 7.032 0.764) 8.382 12.510 ( -3.330 -6.794 -0.214) 7.570 13.848 ( 0.839 1.578 15.383) 15.487 14.144 ( 0.474 -4.055 13.236) 13.852 ======================= Grid point 199 (98/275) ======================= q-point: (-0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 4.536 15.002 13.083) 20.416 1.966 ( -1.787 17.185 15.443) 23.173 2.477 ( 1.885 -8.605 8.532) 12.264 2.632 ( -2.745 -12.977 6.491) 14.767 2.787 ( 2.452 -11.223 10.664) 15.674 3.229 ( -3.760 4.815 13.839) 15.128 3.275 ( -7.109 14.299 11.765) 19.834 3.438 ( -2.519 0.529 -5.053) 5.670 4.456 ( 9.331 -4.149 -0.998) 10.261 4.792 ( 4.487 -3.472 0.348) 5.685 4.950 ( -0.467 -1.640 -0.205) 1.718 5.444 ( 6.563 0.924 -6.363) 9.187 5.578 ( -1.766 0.271 -8.045) 8.241 6.051 ( -3.745 -0.694 -0.566) 3.851 6.379 ( -1.114 -7.523 -4.553) 8.864 6.712 ( -5.772 -4.250 1.009) 7.238 7.296 ( 3.972 -0.103 8.782) 9.639 7.556 ( 3.511 -2.674 1.367) 4.620 7.720 ( 3.811 -1.863 -2.622) 4.987 8.216 ( -1.274 7.987 -0.913) 8.139 8.719 ( -5.615 8.141 3.584) 10.519 9.130 ( 5.401 3.331 -5.940) 8.692 9.847 ( 7.414 0.688 7.416) 10.509 10.086 ( 3.906 -4.231 -3.903) 6.956 10.202 ( -1.462 -1.528 -2.108) 2.986 10.553 ( -4.164 5.670 -4.862) 8.552 10.952 ( 5.612 5.304 -2.260) 8.046 11.178 ( -0.490 -1.139 -13.151) 13.209 11.348 ( -2.101 -4.218 -7.749) 9.070 12.071 ( -4.906 7.035 -0.400) 8.586 12.520 ( -5.280 -8.154 1.092) 9.775 13.858 ( -3.116 1.014 15.001) 15.355 14.218 ( -1.284 -4.426 12.629) 13.443 ======================= Grid point 200 (99/275) ======================= q-point: (-0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 20.367 10.608 13.116) 26.445 1.813 ( 2.511 17.786 13.503) 22.472 2.563 ( -7.970 -5.053 14.843) 17.589 2.676 ( 0.772 2.644 5.388) 6.051 2.883 ( -1.235 0.714 10.797) 10.891 3.112 ( -1.916 -3.323 3.396) 5.123 3.197 ( -9.346 -7.341 13.114) 17.698 3.412 ( 0.647 2.469 3.844) 4.614 4.632 ( 4.829 -6.040 -1.902) 7.964 4.862 ( 1.813 -1.588 -2.143) 3.225 4.906 ( -5.652 0.264 2.385) 6.140 5.520 ( 2.076 2.015 -11.134) 11.503 5.545 ( 4.615 -0.118 -5.107) 6.884 5.993 ( 0.186 5.013 0.955) 5.106 6.544 ( 7.465 -12.360 -3.064) 14.761 6.700 ( -1.723 -6.477 -1.126) 6.796 7.340 ( 2.436 4.273 2.365) 5.458 7.620 ( -1.353 -0.284 5.305) 5.482 7.762 ( 2.072 1.797 -1.859) 3.314 8.124 ( 0.039 4.134 1.644) 4.449 8.585 ( -1.604 7.337 2.173) 7.819 9.152 ( 3.837 4.218 -4.816) 7.464 9.877 ( -8.746 -5.459 7.988) 13.042 10.179 ( 7.332 1.650 -5.201) 9.139 10.288 ( 5.918 -4.976 -0.235) 7.735 10.492 ( 7.774 4.828 -6.508) 11.229 10.955 ( 3.055 7.184 0.112) 7.808 11.090 ( -3.381 3.499 -17.633) 18.292 11.399 ( 3.496 -5.036 -5.806) 8.444 11.928 ( -3.162 6.052 -1.869) 7.079 12.531 ( -5.192 -9.701 0.632) 11.022 13.805 ( -7.590 0.083 16.387) 18.059 14.259 ( -3.181 -3.551 12.407) 13.292 ======================= Grid point 201 (100/275) ======================= q-point: (-0.11 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 6.253 17.886 9.144) 21.038 1.926 ( 19.484 10.719 12.680) 25.599 2.459 ( -2.355 3.900 20.635) 21.132 2.690 ( -1.276 -0.391 7.099) 7.224 2.863 ( -5.782 -3.333 3.065) 7.344 3.066 ( -5.421 -0.269 6.689) 8.614 3.255 ( -3.769 -10.343 6.080) 12.576 3.430 ( 1.612 -1.059 10.239) 10.419 4.673 ( -6.101 -2.262 -5.142) 8.293 4.787 ( -7.102 -4.328 -0.354) 8.324 4.937 ( 2.390 -1.787 2.489) 3.887 5.462 ( -1.733 0.828 -11.783) 11.938 5.629 ( 7.481 2.882 -6.476) 10.306 5.960 ( 4.613 8.613 1.811) 9.937 6.720 ( 1.952 -7.089 -0.392) 7.364 6.885 ( 10.384 -12.530 -4.949) 17.009 7.302 ( -0.371 6.334 0.740) 6.388 7.526 ( -6.505 4.307 2.157) 8.094 7.746 ( 2.156 5.982 -2.185) 6.723 8.138 ( -0.448 -1.175 6.779) 6.895 8.534 ( 3.991 5.403 2.439) 7.146 9.144 ( 1.723 2.743 -3.815) 5.005 9.837 ( -6.794 -8.927 6.757) 13.096 10.146 ( -4.948 1.662 3.734) 6.418 10.509 ( 14.226 2.060 -16.700) 22.034 10.628 ( 11.749 -1.351 -0.080) 11.826 10.833 ( -8.181 5.824 -3.580) 10.661 11.013 ( 8.295 7.611 -10.563) 15.437 11.490 ( 3.097 -3.344 -5.076) 6.822 11.840 ( 0.042 4.459 -3.000) 5.375 12.572 ( -3.158 -10.833 -2.704) 11.604 13.716 ( -9.228 -1.507 18.996) 21.172 14.254 ( -4.903 -1.303 12.747) 13.720 ======================= Grid point 206 (101/275) ======================= q-point: ( 0.44 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 3.389 0.000 11.408) 11.901 2.014 ( -10.996 -0.000 6.926) 12.996 2.275 ( 5.796 0.000 2.817) 6.444 2.359 ( -1.413 -0.000 10.057) 10.156 2.523 ( -3.822 -0.000 24.994) 25.284 3.138 ( 1.749 0.000 12.683) 12.803 3.523 ( -5.881 -0.000 -5.181) 7.838 4.009 ( 0.040 0.000 -8.386) 8.386 4.154 ( -3.929 -0.000 -1.785) 4.315 4.493 ( 15.241 0.000 9.230) 17.818 4.899 ( 1.663 0.000 -0.109) 1.667 5.392 ( 2.456 0.000 -4.254) 4.912 5.663 ( 0.384 0.000 -9.592) 9.599 5.993 ( -7.430 -0.000 -1.833) 7.653 6.466 ( -8.064 -0.000 -5.392) 9.701 6.708 ( -4.259 -0.000 3.603) 5.578 7.150 ( 1.989 0.000 14.814) 14.947 7.535 ( 8.395 0.000 -4.623) 9.584 7.537 ( 0.951 0.000 -3.966) 4.079 8.371 ( 0.336 0.000 -1.230) 1.275 8.963 ( -1.440 -0.000 3.954) 4.208 9.170 ( -2.284 -0.000 -6.418) 6.812 9.765 ( 6.018 0.000 8.393) 10.328 9.858 ( 5.877 0.000 0.523) 5.900 10.286 ( -5.446 -0.000 -3.228) 6.331 10.699 ( 4.315 0.000 -7.237) 8.426 10.996 ( 0.067 0.000 -0.900) 0.902 11.143 ( -5.337 -0.000 -12.002) 13.135 11.369 ( -2.820 -0.000 -8.858) 9.296 12.365 ( -3.269 -0.000 5.553) 6.444 12.373 ( -5.509 -0.000 -3.699) 6.635 13.872 ( 0.987 0.000 14.133) 14.168 14.094 ( 0.674 0.000 13.750) 13.767 ======================= Grid point 208 (102/275) ======================= q-point: (-0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 2.581 15.887 8.946) 18.414 2.185 ( 1.805 -7.966 13.046) 15.392 2.326 ( 0.648 2.090 8.139) 8.428 2.366 ( -0.562 -5.321 6.062) 8.085 2.596 ( 0.087 -6.016 22.227) 23.027 3.156 ( -7.174 -2.720 16.889) 18.550 3.444 ( -1.189 0.146 -7.986) 8.075 3.802 ( -2.168 22.828 -1.270) 22.966 4.255 ( 2.200 -14.330 -5.019) 15.342 4.759 ( 11.854 0.003 8.191) 14.409 4.914 ( -0.475 -1.320 -0.440) 1.471 5.439 ( 4.826 -0.568 -4.019) 6.306 5.611 ( -1.648 1.842 -10.862) 11.140 5.969 ( 1.678 -4.288 -1.467) 4.833 6.314 ( -7.121 -0.119 -4.503) 8.426 6.658 ( -3.948 -1.041 3.378) 5.299 7.258 ( 4.525 -1.894 15.375) 16.138 7.556 ( 4.461 1.702 -5.289) 7.125 7.656 ( 5.141 -3.056 -4.123) 7.264 8.354 ( 0.252 3.680 -2.604) 4.515 8.879 ( -6.317 5.521 6.318) 10.503 9.154 ( 2.066 -0.733 -3.417) 4.060 9.864 ( 3.769 0.763 10.023) 10.735 10.010 ( 9.921 -2.199 -5.796) 11.698 10.164 ( -8.147 -1.443 -1.237) 8.366 10.695 ( 0.995 5.871 -6.789) 9.030 11.034 ( 6.508 2.011 -3.471) 7.645 11.088 ( -0.281 -5.136 -12.102) 13.150 11.296 ( -3.768 -0.833 -9.688) 10.428 12.214 ( -5.946 6.179 -0.087) 8.576 12.362 ( -5.874 -6.516 3.424) 9.417 13.896 ( -1.865 1.585 13.086) 13.313 14.139 ( -1.205 -2.399 13.394) 13.660 ======================= Grid point 209 (103/275) ======================= q-point: (-0.33 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 14.941 11.949 10.073) 21.621 2.152 ( -0.694 12.520 15.421) 19.875 2.408 ( -5.524 -7.200 7.003) 11.463 2.507 ( 6.665 -11.051 4.643) 13.715 2.728 ( -0.928 -8.489 17.968) 19.895 3.074 ( -11.534 -4.866 13.909) 18.713 3.392 ( -2.821 7.080 1.509) 7.769 3.555 ( 3.178 18.943 0.691) 19.220 4.432 ( 2.577 -12.592 -5.478) 13.971 4.850 ( -2.349 0.145 -1.332) 2.704 4.922 ( 0.251 0.972 7.656) 7.721 5.524 ( 0.785 -0.121 -6.518) 6.566 5.556 ( 5.579 -0.090 -10.699) 12.067 6.071 ( 5.783 1.486 -0.285) 5.978 6.294 ( 3.663 -8.622 -4.331) 10.321 6.627 ( -1.764 -0.972 2.631) 3.313 7.386 ( 3.984 -0.393 11.430) 12.111 7.603 ( 3.302 0.645 -0.195) 3.370 7.744 ( 3.024 -2.701 -3.328) 5.245 8.276 ( -1.331 7.266 -2.970) 7.962 8.730 ( -4.257 6.451 4.569) 8.978 9.207 ( 3.516 -0.124 -1.610) 3.869 9.830 ( -9.119 1.964 5.817) 10.993 10.139 ( 1.766 -8.406 1.500) 8.720 10.191 ( 9.686 -0.156 -4.670) 10.754 10.630 ( 3.902 7.430 -4.707) 9.622 11.066 ( 0.614 1.970 -3.310) 3.901 11.136 ( 3.247 1.530 -21.618) 21.914 11.276 ( 3.772 -5.711 -4.640) 8.269 12.055 ( -5.239 5.678 -0.558) 7.746 12.343 ( -6.551 -7.463 3.699) 10.596 13.845 ( -5.570 2.864 13.957) 15.298 14.176 ( -2.706 -3.735 13.227) 14.008 ======================= Grid point 210 (104/275) ======================= q-point: (-0.22 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 7.664 11.448 10.187) 17.134 2.116 ( 14.822 7.797 13.125) 21.278 2.367 ( -10.519 -5.742 8.479) 14.681 2.686 ( 1.880 -5.096 0.404) 5.447 2.817 ( -5.749 -7.006 13.474) 16.238 3.012 ( -4.313 -4.756 12.912) 14.420 3.239 ( 0.534 13.940 11.663) 18.183 3.501 ( 3.861 6.873 1.524) 8.029 4.559 ( 0.137 -8.544 -6.827) 10.937 4.721 ( -12.212 -1.739 -1.134) 12.387 4.928 ( -0.521 0.823 6.536) 6.608 5.471 ( -2.056 -0.039 -9.557) 9.776 5.671 ( 8.451 0.857 -8.704) 12.161 6.119 ( 7.082 5.397 -1.538) 9.035 6.554 ( 10.099 -11.462 -1.950) 15.400 6.656 ( 3.914 -3.704 1.092) 5.498 7.419 ( 0.487 4.400 1.215) 4.590 7.615 ( -2.896 2.493 8.298) 9.135 7.793 ( 1.390 -0.896 -0.653) 1.778 8.180 ( -0.052 5.316 -0.914) 5.395 8.649 ( 0.709 4.704 1.753) 5.070 9.225 ( 0.936 3.732 -1.170) 4.021 9.685 ( -9.058 -3.905 4.239) 10.736 10.173 ( -3.646 0.094 5.200) 6.352 10.431 ( 15.409 -6.612 -7.879) 18.527 10.656 ( 6.165 2.802 -2.225) 7.128 10.932 ( -8.260 3.606 -12.463) 15.380 11.161 ( 9.892 4.543 -13.155) 17.074 11.418 ( 6.090 -3.044 -4.700) 8.273 11.934 ( -2.309 4.276 -1.716) 5.154 12.342 ( -5.483 -9.745 1.769) 11.320 13.743 ( -7.285 3.296 16.333) 18.185 14.199 ( -3.801 -3.503 13.356) 14.322 ======================= Grid point 211 (105/275) ======================= q-point: (-0.11 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 4.747 13.210 9.204) 16.785 2.253 ( -9.519 -0.612 10.524) 14.203 2.382 ( 12.134 1.621 9.317) 15.384 2.662 ( -10.941 -5.986 -0.001) 12.472 2.771 ( -2.025 2.675 6.960) 7.727 3.111 ( 4.332 -1.981 14.620) 15.377 3.224 ( 4.481 4.119 14.369) 15.605 3.519 ( 5.112 3.790 4.168) 7.607 4.456 ( -15.915 -2.806 -3.013) 16.439 4.653 ( -1.381 -5.512 -4.820) 7.451 4.918 ( -3.429 -1.590 4.690) 6.023 5.415 ( -1.211 0.339 -11.185) 11.255 5.735 ( 4.412 3.145 -6.629) 8.562 6.198 ( 11.977 7.439 -3.536) 14.536 6.691 ( 2.186 -4.369 2.160) 5.342 6.922 ( 11.083 -10.768 -4.295) 16.039 7.339 ( -2.649 4.584 -1.206) 5.430 7.489 ( -6.649 7.175 4.651) 10.832 7.809 ( 0.329 1.385 2.626) 2.987 8.141 ( -1.702 2.550 5.068) 5.923 8.660 ( 4.879 2.781 -0.290) 5.623 9.173 ( -0.581 3.101 -1.705) 3.586 9.664 ( -4.536 -8.983 5.299) 11.373 10.070 ( -8.227 2.628 0.427) 8.648 10.668 ( 2.928 -0.509 -5.266) 6.047 10.713 ( -0.483 5.381 -11.950) 13.115 10.774 ( 7.156 -3.931 -3.394) 8.842 11.294 ( 17.723 6.041 -8.295) 20.480 11.475 ( -0.173 -1.849 -3.552) 4.008 11.878 ( 0.173 3.245 -2.327) 3.997 12.391 ( -2.891 -11.914 -3.442) 12.734 13.648 ( -5.798 2.273 19.231) 20.214 14.195 ( -4.564 -1.597 13.663) 14.494 ======================= Grid point 217 (106/275) ======================= q-point: (-0.44 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 6.826 0.000 5.405) 8.707 2.197 ( 4.259 0.000 13.631) 14.281 2.360 ( 2.272 0.000 6.340) 6.735 2.384 ( 0.765 0.000 8.276) 8.311 2.626 ( 0.714 0.000 25.274) 25.284 3.008 ( -12.865 -0.000 14.102) 19.088 3.433 ( 0.578 0.000 -3.523) 3.570 3.932 ( -2.487 -0.000 -2.245) 3.350 4.168 ( 5.256 0.000 -4.805) 7.121 4.854 ( -5.831 -0.000 -1.390) 5.994 4.935 ( 4.363 0.000 10.691) 11.547 5.529 ( 8.531 0.000 -6.417) 10.675 5.545 ( -3.329 -0.000 -12.063) 12.514 6.066 ( 12.466 0.000 -0.787) 12.491 6.214 ( -2.659 -0.000 -4.820) 5.505 6.624 ( -1.024 -0.000 4.734) 4.843 7.367 ( 4.613 0.000 16.259) 16.900 7.644 ( 6.295 0.000 -5.879) 8.614 7.684 ( 1.763 0.000 -3.200) 3.654 8.362 ( -1.035 -0.000 -4.367) 4.488 8.821 ( -6.805 -0.000 7.183) 9.894 9.182 ( 3.644 0.000 -1.269) 3.859 9.950 ( -12.422 -0.000 -3.210) 12.830 9.953 ( 3.981 0.000 10.342) 11.081 10.187 ( 11.067 0.000 -4.163) 11.824 10.741 ( 0.491 0.000 -3.057) 3.097 11.054 ( 4.739 0.000 -13.293) 14.112 11.156 ( 3.227 0.000 -20.989) 21.236 11.212 ( 3.101 0.000 1.268) 3.350 12.149 ( -6.475 -0.000 -2.377) 6.898 12.232 ( -6.453 -0.000 6.952) 9.486 13.887 ( -4.597 -0.000 12.960) 13.751 14.127 ( -2.857 -0.000 13.633) 13.929 ======================= Grid point 219 (107/275) ======================= q-point: (-0.33 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -0.967 -1.092 7.615) 7.753 2.257 ( -1.273 3.108 14.915) 15.289 2.379 ( 6.046 6.507 5.857) 10.640 2.546 ( 5.014 -7.247 4.331) 9.820 2.725 ( 2.313 0.999 20.006) 20.164 2.881 ( -7.529 -6.537 15.413) 18.357 3.423 ( -0.039 2.486 1.418) 2.862 3.800 ( 2.237 16.082 0.208) 16.238 4.328 ( 4.204 -11.388 -6.724) 13.877 4.698 ( -13.299 -0.473 -1.644) 13.409 4.956 ( -3.405 1.132 10.414) 11.015 5.465 ( -2.610 -0.316 -10.674) 10.993 5.671 ( 10.381 -0.435 -10.330) 14.652 6.193 ( 4.890 2.042 -4.737) 7.108 6.339 ( 13.707 -6.444 -1.858) 15.260 6.652 ( 3.650 1.069 6.375) 7.423 7.468 ( 2.068 0.227 11.210) 11.401 7.658 ( -0.310 2.635 2.387) 3.569 7.750 ( 3.181 -2.722 -2.559) 4.907 8.295 ( -2.606 3.600 -4.908) 6.621 8.731 ( -3.174 2.480 3.700) 5.469 9.250 ( 3.124 -0.911 0.039) 3.254 9.707 ( -11.703 4.257 1.042) 12.496 10.104 ( 4.720 -5.444 7.426) 10.347 10.340 ( 9.156 -1.174 -5.089) 10.540 10.706 ( -1.883 1.341 -1.554) 2.785 11.016 ( -3.469 4.428 -15.854) 16.823 11.158 ( 6.683 -3.989 -15.094) 16.982 11.391 ( 13.623 0.331 -5.391) 14.655 12.024 ( -4.675 3.829 -0.624) 6.075 12.172 ( -7.269 -5.730 4.526) 10.303 13.821 ( -5.622 2.883 14.518) 15.833 14.124 ( -3.733 -2.626 13.910) 14.639 ======================= Grid point 220 (108/275) ======================= q-point: (-0.22 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -11.236 -6.616 7.150) 14.871 2.226 ( -0.491 5.598 15.002) 16.020 2.462 ( 2.234 0.132 2.626) 3.450 2.577 ( -0.577 0.887 10.012) 10.068 2.786 ( 1.178 -0.871 10.648) 10.749 3.032 ( 7.886 -3.814 16.525) 18.704 3.395 ( 1.591 5.998 7.345) 9.616 3.711 ( 6.885 14.194 0.584) 15.787 4.404 ( -14.923 -2.466 -5.190) 15.991 4.501 ( -2.057 -7.986 -4.322) 9.310 4.896 ( -5.745 -0.407 8.400) 10.184 5.408 ( -1.995 -0.792 -9.519) 9.758 5.789 ( 7.679 1.552 -11.308) 13.757 6.279 ( 9.264 0.700 -6.658) 11.430 6.597 ( 7.479 -6.388 0.661) 9.857 6.776 ( 11.479 -0.022 4.584) 12.361 7.437 ( -4.418 3.978 -2.008) 6.275 7.625 ( -3.528 3.875 12.387) 13.450 7.790 ( -0.265 -1.226 2.817) 3.084 8.214 ( -1.170 2.831 -2.487) 3.946 8.701 ( 1.183 1.177 -0.881) 1.887 9.264 ( -0.460 3.505 0.274) 3.546 9.536 ( -6.711 -1.726 3.330) 7.688 10.136 ( -5.117 3.094 -0.259) 5.985 10.539 ( 7.922 -8.511 -5.220) 12.746 10.671 ( -0.603 -2.839 0.290) 2.917 10.891 ( 1.154 7.068 -11.916) 13.903 11.284 ( 7.593 -4.628 -13.948) 16.541 11.553 ( 10.772 6.222 -3.371) 12.888 11.936 ( -1.265 2.292 -1.647) 3.092 12.151 ( -5.505 -9.651 0.484) 11.121 13.737 ( -4.132 5.037 16.850) 18.066 14.135 ( -3.710 -3.557 14.210) 15.111 ======================= Grid point 221 (109/275) ======================= q-point: (-0.11 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -13.671 -9.066 7.520) 18.046 2.211 ( 2.908 7.717 13.123) 15.499 2.364 ( -15.034 -7.084 3.989) 17.091 2.696 ( 11.320 6.482 8.052) 15.329 2.810 ( 1.086 4.453 6.882) 8.269 3.195 ( 3.906 0.582 14.405) 14.936 3.408 ( 2.830 3.355 13.399) 14.100 3.706 ( 6.563 9.504 2.907) 11.911 4.117 ( -17.772 -4.140 -5.094) 18.946 4.589 ( 2.440 -5.977 -5.526) 8.498 4.838 ( -4.919 -1.775 5.309) 7.452 5.363 ( -1.626 -0.899 -9.851) 10.025 5.817 ( 3.260 4.296 -9.091) 10.570 6.424 ( 11.181 0.714 -8.919) 14.320 6.727 ( 4.324 -0.284 6.334) 7.674 6.992 ( 8.029 -3.182 -2.605) 9.021 7.303 ( -4.383 0.325 -2.077) 4.861 7.485 ( -6.695 9.348 5.171) 12.607 7.807 ( -1.636 -1.523 7.963) 8.271 8.160 ( -2.292 4.063 3.987) 6.137 8.710 ( -0.053 -1.050 -4.206) 4.336 9.213 ( 1.908 3.940 -1.090) 4.512 9.532 ( -2.930 -6.624 6.030) 9.425 9.920 ( -13.381 3.674 -7.348) 15.702 10.589 ( -2.528 -3.256 -0.444) 4.146 10.819 ( 1.846 4.393 -4.730) 6.714 10.840 ( 8.708 -2.314 -9.250) 12.914 11.388 ( -1.378 -6.040 -6.095) 8.691 11.649 ( 15.381 6.146 -3.405) 16.910 11.896 ( -1.271 2.593 -1.572) 3.288 12.225 ( 1.161 -11.393 -5.551) 12.727 13.679 ( -1.881 5.320 19.125) 19.940 14.152 ( -2.759 -2.013 14.310) 14.712 ======================= Grid point 228 (110/275) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -11.813 -0.000 9.497) 15.157 2.267 ( -6.011 -0.000 13.939) 15.180 2.476 ( -1.142 -0.000 -0.060) 1.143 2.614 ( 4.876 0.000 12.411) 13.334 2.766 ( 0.375 0.000 15.831) 15.836 2.981 ( 13.721 0.000 16.357) 21.350 3.450 ( 1.074 0.000 2.603) 2.816 3.947 ( 4.922 0.000 0.129) 4.924 4.316 ( 3.178 0.000 -8.450) 9.028 4.419 ( -18.663 -0.000 -1.561) 18.728 4.894 ( -7.411 -0.000 10.308) 12.696 5.396 ( -2.278 -0.000 -9.556) 9.823 5.803 ( 9.436 0.000 -13.889) 16.791 6.280 ( 7.589 0.000 -6.594) 10.054 6.508 ( 10.333 0.000 -0.432) 10.343 6.802 ( 10.740 0.000 7.854) 13.305 7.482 ( -4.238 -0.000 1.201) 4.405 7.656 ( -2.483 -0.000 13.745) 13.967 7.784 ( 1.791 0.000 0.661) 1.909 8.243 ( -3.887 -0.000 -5.516) 6.748 8.715 ( -0.458 -0.000 -0.264) 0.529 9.288 ( 1.625 0.000 0.993) 1.905 9.553 ( -9.659 -0.000 2.330) 9.937 10.176 ( 0.993 0.000 -0.598) 1.159 10.425 ( 4.261 0.000 -3.056) 5.244 10.633 ( -2.138 -0.000 -1.307) 2.506 10.993 ( 0.755 0.000 -8.211) 8.246 11.207 ( 6.424 0.000 -16.990) 18.163 11.634 ( 16.989 0.000 -6.722) 18.271 11.985 ( -2.924 -0.000 -0.967) 3.080 12.011 ( -8.943 -0.000 3.316) 9.538 13.809 ( -2.752 -0.000 15.717) 15.956 14.082 ( -4.059 -0.000 14.654) 15.205 ======================= Grid point 229 (111/275) ======================= q-point: (-0.22 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -15.486 -4.056 10.410) 19.096 2.158 ( -13.344 -4.464 12.214) 18.632 2.436 ( 0.230 5.622 5.821) 8.096 2.734 ( 5.846 -0.784 13.560) 14.788 2.878 ( 7.172 1.375 10.158) 12.511 3.214 ( 9.074 0.818 13.768) 16.510 3.463 ( -1.258 1.275 7.423) 7.636 3.974 ( 4.192 11.675 0.905) 12.438 4.055 ( -17.689 -1.458 -6.281) 18.828 4.430 ( 3.641 -7.564 -6.179) 10.423 4.806 ( -5.967 -0.910 7.805) 9.866 5.338 ( -2.515 -0.895 -8.366) 8.781 5.881 ( 5.522 1.450 -14.716) 15.785 6.410 ( 9.883 -0.593 -7.018) 12.136 6.675 ( 8.074 -3.096 2.206) 8.924 6.997 ( 11.381 1.987 5.104) 12.630 7.337 ( -10.651 1.493 -3.556) 11.328 7.644 ( -3.805 3.598 14.930) 15.821 7.783 ( -1.585 0.676 4.710) 5.015 8.178 ( -2.902 -1.763 -3.371) 4.784 8.703 ( -1.464 0.374 -2.713) 3.105 9.294 ( -0.071 1.974 1.324) 2.378 9.456 ( -2.281 -0.489 3.512) 4.216 10.008 ( -14.130 3.466 -10.387) 17.876 10.486 ( -0.043 -4.482 -2.374) 5.072 10.721 ( 7.719 -3.431 1.498) 8.579 10.980 ( 3.333 5.522 -6.234) 8.970 11.252 ( -0.042 -5.176 -11.607) 12.709 11.803 ( 5.223 7.558 -2.702) 9.576 11.931 ( -0.287 0.106 -2.085) 2.107 12.001 ( 5.383 -8.523 -3.541) 10.685 13.809 ( 0.473 5.155 16.797) 17.576 14.082 ( -2.744 -3.437 15.190) 15.814 ======================= Grid point 230 (112/275) ======================= q-point: (-0.11 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -15.381 -8.727 10.854) 20.750 2.013 ( -16.947 -8.646 10.274) 21.622 2.413 ( 3.931 8.895 10.171) 14.072 2.851 ( 3.191 1.470 13.079) 13.542 2.990 ( 7.269 4.350 5.288) 9.986 3.304 ( -4.062 2.937 11.616) 12.651 3.355 ( -11.253 -0.945 14.027) 18.008 3.816 ( -0.588 2.520 -2.875) 3.868 3.973 ( 2.027 7.357 -2.967) 8.188 4.559 ( 3.647 -7.236 -4.389) 9.215 4.789 ( 1.023 -1.497 3.752) 4.167 5.291 ( -2.325 -1.746 -8.158) 8.660 5.874 ( 1.602 3.581 -12.336) 12.945 6.545 ( 7.115 0.510 -5.174) 8.812 6.829 ( 6.080 -0.831 0.992) 6.217 7.064 ( -3.740 4.923 -0.290) 6.189 7.229 ( 2.586 -5.591 0.683) 6.197 7.497 ( -6.629 10.426 4.216) 13.054 7.779 ( -2.464 -1.726 9.377) 9.848 8.156 ( -2.536 -0.352 2.788) 3.785 8.623 ( -6.675 -0.882 -3.887) 7.774 9.281 ( 0.578 1.249 0.479) 1.457 9.489 ( 2.528 -0.719 3.837) 4.651 9.698 ( -13.865 2.385 -11.100) 17.921 10.515 ( -1.578 -5.255 -1.154) 5.607 10.842 ( 2.059 -2.053 -2.597) 3.898 10.931 ( 0.601 6.713 -7.587) 10.148 11.256 ( -4.125 -6.696 -4.418) 9.021 11.787 ( -1.043 -1.742 -6.177) 6.503 11.908 ( 0.647 0.523 -0.333) 0.896 12.266 ( 16.962 -3.274 -6.033) 18.298 13.796 ( 1.068 7.982 18.585) 20.255 14.143 ( 0.447 -3.095 14.713) 15.041 ======================= Grid point 238 (113/275) ======================= q-point: (-0.22 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -17.120 -0.000 13.154) 21.590 1.909 ( -17.008 -0.000 12.267) 20.970 2.524 ( 3.476 0.000 9.527) 10.141 2.856 ( 5.484 0.000 16.506) 17.394 3.023 ( 3.208 0.000 7.324) 7.996 3.326 ( -19.547 -0.000 11.755) 22.809 3.365 ( 4.196 0.000 10.514) 11.321 3.820 ( -0.356 -0.000 -9.019) 9.026 4.142 ( 2.095 0.000 1.236) 2.433 4.430 ( 4.564 0.000 -5.372) 7.049 4.769 ( 1.033 0.000 4.740) 4.851 5.268 ( -2.793 -0.000 -7.171) 7.696 5.910 ( 2.042 0.000 -15.735) 15.867 6.564 ( 11.220 0.000 -5.535) 12.511 6.799 ( 8.126 0.000 2.888) 8.624 7.116 ( -15.425 -0.000 -3.112) 15.736 7.184 ( 8.249 0.000 4.171) 9.244 7.640 ( -5.165 -0.000 14.891) 15.761 7.763 ( -2.835 -0.000 2.651) 3.882 8.093 ( -3.573 -0.000 -4.045) 5.397 8.641 ( -6.338 -0.000 0.069) 6.339 9.294 ( -1.983 -0.000 2.928) 3.537 9.490 ( 5.837 0.000 1.016) 5.924 9.737 ( -15.882 -0.000 -13.004) 20.527 10.442 ( -2.335 -0.000 -2.122) 3.155 10.805 ( 4.231 0.000 -0.805) 4.307 11.058 ( 2.526 0.000 -4.434) 5.103 11.131 ( -6.737 -0.000 -6.891) 9.637 11.764 ( -4.247 -0.000 -5.760) 7.156 11.913 ( -1.479 -0.000 -1.379) 2.022 12.234 ( 20.911 0.000 -4.850) 21.466 13.929 ( 3.971 0.000 15.733) 16.226 14.069 ( -0.586 -0.000 16.511) 16.521 ======================= Grid point 239 (114/275) ======================= q-point: (-0.11 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -15.799 -6.157 14.835) 22.530 1.677 ( -19.215 -4.605 12.057) 23.147 2.582 ( 0.383 5.134 12.948) 13.934 2.814 ( -24.573 -2.878 20.576) 32.179 2.983 ( 3.320 0.777 16.197) 16.552 3.229 ( 4.374 1.706 -0.878) 4.776 3.406 ( -0.312 1.604 6.897) 7.088 3.893 ( 8.593 -0.323 -4.940) 9.917 4.066 ( -3.594 9.221 2.065) 10.110 4.544 ( 5.783 -5.550 -3.387) 8.701 4.860 ( 7.394 -1.016 1.471) 7.607 5.219 ( -1.678 -1.306 -6.400) 6.744 5.872 ( -0.723 1.222 -14.178) 14.249 6.668 ( 0.349 8.671 2.671) 9.080 6.841 ( -3.883 0.598 -8.453) 9.321 7.000 ( 4.711 -8.409 2.493) 9.956 7.288 ( 3.871 0.010 3.357) 5.124 7.509 ( -7.228 9.608 5.121) 13.068 7.733 ( -3.270 -2.317 5.326) 6.666 8.071 ( -3.084 -6.764 -2.079) 7.719 8.498 ( -8.976 2.983 2.123) 9.694 9.239 ( -6.206 0.605 2.134) 6.591 9.475 ( -9.436 1.234 -9.579) 13.502 9.627 ( 9.932 0.023 -0.654) 9.953 10.404 ( -4.396 -5.015 -2.412) 7.092 10.843 ( 0.585 -0.035 -3.154) 3.208 10.944 ( -5.727 6.200 -3.054) 8.975 11.100 ( -4.388 -7.286 -5.764) 10.275 11.707 ( -2.232 -1.205 -8.247) 8.628 11.884 ( -2.246 -1.456 -0.690) 2.764 12.546 ( 18.209 0.186 -5.530) 19.031 13.977 ( 3.700 8.814 16.895) 19.412 14.179 ( 4.290 -4.282 14.923) 16.106 ======================= Grid point 248 (115/275) ======================= q-point: (-0.11 -0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -14.201 -0.000 18.541) 23.355 1.350 ( -22.341 -0.000 12.194) 25.453 2.280 ( -29.681 -0.000 28.637) 41.244 2.833 ( 8.453 0.000 17.913) 19.807 3.097 ( 2.759 0.000 18.333) 18.540 3.291 ( 2.771 0.000 -4.002) 4.868 3.380 ( -4.804 -0.000 3.478) 5.931 4.033 ( 9.841 0.000 -2.786) 10.228 4.051 ( -4.740 -0.000 1.659) 5.022 4.634 ( 9.397 0.000 -2.355) 9.688 4.980 ( 7.042 0.000 0.108) 7.042 5.187 ( 0.763 0.000 -4.898) 4.957 5.810 ( -2.731 -0.000 -14.086) 14.348 6.529 ( -18.076 -0.000 2.943) 18.314 6.967 ( 14.165 0.000 -6.760) 15.695 7.032 ( 4.664 0.000 1.456) 4.886 7.321 ( -1.025 -0.000 4.239) 4.361 7.467 ( -7.522 -0.000 7.165) 10.388 7.655 ( -3.861 -0.000 -2.002) 4.349 7.934 ( -6.729 -0.000 -6.658) 9.466 8.410 ( -5.765 -0.000 5.559) 8.008 9.126 ( -7.649 -0.000 0.313) 7.656 9.350 ( -4.098 -0.000 -1.985) 4.554 9.805 ( 11.576 0.000 -1.542) 11.678 10.286 ( -4.683 -0.000 -2.578) 5.346 10.824 ( -4.171 -0.000 -4.612) 6.218 10.886 ( -6.066 -0.000 1.879) 6.350 10.929 ( -6.004 -0.000 -6.153) 8.597 11.659 ( -0.571 -0.000 -8.836) 8.854 11.816 ( -4.486 -0.000 -0.534) 4.518 12.779 ( 11.736 0.000 -6.544) 13.437 14.134 ( 2.716 0.000 14.099) 14.358 14.302 ( 9.383 0.000 11.961) 15.202 ======================= Grid point 249 (116/275) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -5.306 -0.000 23.082) 23.684 1.361 ( 7.668 0.000 19.264) 20.734 2.577 ( -6.663 -0.000 29.099) 29.853 3.056 ( -6.261 -0.000 -5.582) 8.388 3.124 ( -2.401 -0.000 -4.004) 4.669 3.504 ( -3.880 -0.000 16.279) 16.735 3.526 ( -1.359 -0.000 1.873) 2.314 4.046 ( -5.196 -0.000 15.746) 16.581 4.494 ( 16.302 0.000 -1.764) 16.397 4.904 ( 5.427 0.000 3.350) 6.378 5.004 ( -1.324 -0.000 -6.717) 6.846 5.187 ( 1.498 0.000 -2.522) 2.933 5.373 ( -4.634 -0.000 -8.116) 9.346 6.165 ( -9.759 -0.000 4.706) 10.834 7.027 ( -3.932 -0.000 -1.534) 4.220 7.057 ( -0.460 -0.000 -0.644) 0.791 7.139 ( -3.175 -0.000 -10.495) 10.965 7.354 ( 1.612 0.000 0.566) 1.708 7.512 ( -8.004 -0.000 3.418) 8.703 7.802 ( 8.062 0.000 1.869) 8.276 8.482 ( 3.766 0.000 1.650) 4.112 8.790 ( 3.311 0.000 -13.189) 13.598 9.848 ( 10.733 0.000 14.095) 17.716 10.164 ( 9.737 0.000 -2.034) 9.947 10.189 ( 2.692 0.000 1.620) 3.142 10.541 ( -10.470 -0.000 6.766) 12.466 10.784 ( -1.548 -0.000 -5.050) 5.282 10.806 ( -4.437 -0.000 3.626) 5.730 11.439 ( 0.388 0.000 -8.516) 8.525 11.623 ( -2.045 -0.000 -2.906) 3.554 12.771 ( 0.709 0.000 -6.921) 6.957 14.424 ( -5.857 -0.000 0.793) 5.910 14.510 ( -1.215 -0.000 13.529) 13.583 ======================= Grid point 250 (117/275) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -1.528 -6.239 21.418) 22.360 1.663 ( 19.033 -2.604 17.920) 26.271 2.610 ( -1.142 -3.810 23.493) 23.827 2.933 ( -4.965 1.514 -4.925) 7.155 3.056 ( -5.482 -0.988 -5.479) 7.814 3.351 ( -5.642 12.012 9.334) 16.225 3.553 ( -5.564 -5.772 9.900) 12.740 3.991 ( -4.329 3.796 18.906) 19.763 4.680 ( 5.169 0.419 -4.727) 7.016 4.925 ( -1.487 4.072 -5.806) 7.246 4.989 ( 3.280 -0.130 3.359) 4.697 5.216 ( 2.525 -2.353 -5.475) 6.472 5.277 ( -5.848 -2.645 -7.678) 10.007 6.032 ( -7.434 0.853 7.798) 10.807 6.945 ( -1.444 7.087 -6.216) 9.537 6.967 ( 4.963 9.158 -2.032) 10.612 7.155 ( -0.420 -4.213 -0.486) 4.262 7.420 ( 1.485 -4.228 -2.800) 5.284 7.450 ( -7.269 -10.338 2.789) 12.941 8.008 ( 10.270 -6.067 -0.276) 11.932 8.541 ( 4.972 3.343 2.961) 6.683 8.853 ( 8.012 -0.459 -10.991) 13.610 10.028 ( 7.651 1.206 7.234) 10.598 10.226 ( 1.347 -4.219 0.681) 4.481 10.340 ( -0.031 5.944 3.260) 6.780 10.419 ( 5.668 -1.407 3.041) 6.585 10.718 ( -2.051 0.615 -4.598) 5.072 10.767 ( -5.894 -4.320 1.488) 7.457 11.419 ( 0.953 0.900 -8.293) 8.396 11.634 ( 2.144 -2.167 -2.233) 3.779 12.730 ( -1.930 2.150 -6.681) 7.279 14.278 ( -8.309 4.761 6.289) 11.457 14.525 ( -3.316 -1.947 12.813) 13.378 ======================= Grid point 251 (118/275) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 2.925 -12.343 16.166) 20.549 2.044 ( 14.416 -6.256 16.651) 22.896 2.655 ( -3.070 0.310 -0.459) 3.120 2.857 ( -6.190 0.061 -5.130) 8.039 2.999 ( 2.862 -1.049 14.104) 14.429 3.159 ( -4.070 10.069 5.200) 12.041 3.527 ( -6.370 -2.663 12.765) 14.513 3.933 ( -3.338 5.072 21.029) 21.888 4.639 ( -4.529 2.527 -2.901) 5.943 4.823 ( -4.214 4.330 -3.874) 7.178 5.007 ( -2.484 0.293 1.257) 2.799 5.184 ( -4.415 -3.440 -9.276) 10.834 5.360 ( 10.264 -4.273 -10.579) 15.347 5.974 ( -3.624 -3.139 10.058) 11.143 6.842 ( 2.496 9.480 -6.866) 11.968 6.978 ( 5.288 5.829 -2.713) 8.325 7.196 ( -1.584 -5.961 1.852) 6.440 7.409 ( -2.897 -3.046 -3.781) 5.654 7.555 ( 1.991 -9.744 1.972) 10.139 8.197 ( 4.846 -4.717 0.823) 6.813 8.593 ( 4.988 3.196 3.961) 7.126 8.983 ( 8.883 -1.150 -7.664) 11.788 10.076 ( -2.569 0.565 -1.502) 3.029 10.169 ( -6.844 8.385 4.490) 11.718 10.294 ( 1.487 -4.199 2.456) 5.087 10.661 ( 11.860 1.003 -2.800) 12.228 10.707 ( 1.342 -1.319 -0.633) 1.985 10.751 ( 3.436 -6.555 -0.660) 7.430 11.409 ( 0.938 0.208 -8.257) 8.312 11.703 ( 3.617 -2.008 -1.688) 4.468 12.630 ( -3.751 4.514 -6.785) 8.971 14.120 ( -7.162 4.660 11.332) 14.192 14.510 ( -4.917 -1.536 13.066) 14.044 ======================= Grid point 252 (119/275) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 6.023 -15.140 10.342) 19.299 2.322 ( 2.939 -9.887 14.312) 17.642 2.554 ( -4.642 0.477 -5.208) 6.993 2.680 ( -7.218 6.190 -0.884) 9.550 2.967 ( -6.069 5.893 4.676) 9.665 3.285 ( 14.946 -2.070 11.746) 19.122 3.499 ( -3.755 -2.541 15.253) 15.912 3.891 ( -1.802 4.758 20.146) 20.779 4.495 ( -8.294 5.177 -1.263) 9.859 4.676 ( -5.893 4.154 -1.869) 7.449 4.943 ( -5.562 -1.440 -1.132) 5.856 5.152 ( -1.478 -4.188 -9.625) 10.600 5.524 ( 7.974 -2.256 -11.528) 14.197 6.044 ( 2.848 -6.653 6.202) 9.531 6.791 ( 4.518 7.395 -4.991) 10.001 6.975 ( 1.487 3.663 -3.116) 5.034 7.235 ( -5.455 -10.801 0.722) 12.121 7.388 ( 1.627 3.156 -2.396) 4.284 7.706 ( 2.628 -9.528 2.423) 10.177 8.269 ( 0.282 -0.489 4.141) 4.179 8.662 ( 4.349 0.314 3.220) 5.421 9.089 ( 5.108 0.164 -4.328) 6.697 9.932 ( -12.389 -0.275 -6.513) 13.999 9.987 ( -3.459 11.286 3.465) 12.302 10.403 ( 4.569 -5.909 0.280) 7.474 10.665 ( -2.520 -1.330 0.548) 2.902 10.775 ( 3.674 -1.231 -0.707) 3.939 11.086 ( 23.501 -3.131 -2.493) 23.840 11.390 ( -0.456 0.345 -8.638) 8.657 11.771 ( 2.276 -2.000 -1.277) 3.289 12.477 ( -5.089 6.776 -7.668) 11.429 14.019 ( -4.125 3.081 14.534) 15.419 14.474 ( -5.572 -1.372 13.480) 14.651 ======================= Grid point 253 (120/275) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 4.829 -12.683 6.344) 14.981 2.296 ( -9.365 4.319 2.368) 10.581 2.542 ( -4.157 2.409 -0.221) 4.809 2.624 ( 2.880 -10.926 12.264) 16.676 2.839 ( -4.134 1.791 3.238) 5.548 3.447 ( -0.281 -2.761 8.802) 9.229 3.641 ( 9.711 -3.440 14.113) 17.473 3.886 ( 1.225 3.880 16.141) 16.646 4.224 ( -16.266 7.858 3.894) 18.479 4.587 ( 1.309 3.674 -3.821) 5.460 4.861 ( -6.071 -2.071 -1.552) 6.600 5.162 ( 0.021 -3.212 -8.035) 8.653 5.602 ( 2.960 -1.461 -8.840) 9.436 6.210 ( 7.689 -5.512 -2.991) 9.922 6.809 ( 5.262 2.524 -0.827) 5.895 6.934 ( -1.929 1.282 -3.735) 4.396 7.249 ( -8.458 -13.112 -1.438) 15.669 7.384 ( 4.907 7.005 -0.242) 8.556 7.842 ( 0.456 -8.740 4.268) 9.737 8.264 ( -1.919 0.346 6.900) 7.170 8.709 ( 0.386 1.408 1.152) 1.859 9.142 ( 4.085 0.298 -2.650) 4.879 9.685 ( -15.038 -0.207 -8.281) 17.169 9.836 ( -1.013 11.433 3.089) 11.886 10.553 ( 4.654 -6.922 -1.207) 8.428 10.644 ( -1.653 -0.573 2.727) 3.240 10.831 ( 2.639 0.463 -1.457) 3.050 11.334 ( -2.777 0.933 -8.472) 8.964 11.503 ( 24.252 -1.587 -2.753) 24.460 11.802 ( -1.304 -2.708 -1.303) 3.276 12.293 ( -3.654 8.598 -9.321) 13.198 13.997 ( -1.328 0.685 16.047) 16.116 14.441 ( -4.438 -1.411 13.613) 14.388 ======================= Grid point 254 (121/275) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -9.070 10.856 8.645) 16.579 2.190 ( -8.368 -4.857 1.934) 9.867 2.491 ( 1.268 -1.056 7.827) 7.999 2.816 ( 2.261 -9.285 3.781) 10.278 2.891 ( 5.025 -9.645 6.074) 12.457 3.492 ( -1.887 -5.104 7.236) 9.054 3.821 ( -0.814 -1.302 14.191) 14.274 3.849 ( -13.372 6.076 2.175) 14.847 3.937 ( 1.653 3.007 17.181) 17.520 4.596 ( 5.003 4.300 -4.385) 7.922 4.808 ( -1.477 -1.806 -1.193) 2.620 5.164 ( -0.331 -0.910 -6.179) 6.254 5.619 ( 0.428 -1.351 -8.495) 8.612 6.369 ( 7.650 -3.208 -7.218) 10.996 6.840 ( -3.208 1.593 -0.515) 3.619 6.921 ( 2.936 -4.903 -2.215) 6.129 7.249 ( -6.934 -11.717 -2.033) 13.766 7.386 ( 5.082 7.967 0.255) 9.453 7.922 ( -3.066 -7.012 6.691) 10.166 8.255 ( -2.251 -1.641 8.131) 8.595 8.628 ( -4.401 6.393 -1.824) 7.973 9.207 ( 1.802 -1.228 -4.945) 5.404 9.438 ( -10.477 0.231 -5.302) 11.745 9.733 ( 0.675 8.332 4.005) 9.269 10.600 ( -0.833 2.318 -1.428) 2.847 10.707 ( 2.317 -6.628 2.095) 7.327 10.836 ( -0.821 0.773 -0.444) 1.212 11.237 ( -4.025 2.494 -8.194) 9.464 11.707 ( -4.587 -0.718 -3.571) 5.858 11.896 ( 12.606 0.243 -1.145) 12.660 12.186 ( 7.114 5.735 -10.862) 14.194 14.040 ( 0.233 -2.367 16.002) 16.178 14.440 ( -1.656 -1.070 13.083) 13.231 ======================= Grid point 255 (122/275) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -10.203 10.790 12.036) 19.115 1.965 ( -17.353 4.440 6.381) 19.015 2.644 ( 5.949 -7.637 7.604) 12.310 2.971 ( 4.206 -8.557 4.060) 10.363 3.100 ( 3.843 -8.408 2.610) 9.606 3.448 ( -15.907 6.595 14.748) 22.673 3.550 ( -3.485 -2.207 6.500) 7.698 3.938 ( 1.225 -4.844 9.356) 10.606 3.999 ( 2.053 -0.429 12.429) 12.605 4.606 ( 4.202 4.777 -3.192) 7.119 4.860 ( 5.347 -1.253 -1.732) 5.759 5.143 ( -0.175 0.900 -4.307) 4.403 5.603 ( -0.546 -0.485 -10.068) 10.094 6.492 ( 2.818 -6.252 -4.059) 7.969 6.734 ( -6.659 0.451 -1.842) 6.924 7.027 ( 2.410 -5.635 -3.550) 7.082 7.275 ( -2.762 -8.292 -1.327) 8.840 7.380 ( 4.740 7.780 -0.167) 9.112 7.926 ( -6.203 -4.144 8.108) 11.018 8.248 ( -3.098 1.912 6.285) 7.263 8.463 ( -5.073 5.331 -2.352) 7.726 9.073 ( -12.140 -0.565 -11.336) 16.619 9.427 ( 4.624 -0.427 2.467) 5.258 9.716 ( 4.300 3.711 4.591) 7.304 10.521 ( -2.449 7.147 -1.425) 7.688 10.783 ( -1.111 -2.232 -1.396) 2.858 10.807 ( -3.596 -4.892 3.462) 6.989 11.115 ( -3.791 4.219 -6.893) 8.927 11.584 ( -6.931 -0.051 -6.192) 9.294 11.930 ( 0.325 5.918 -3.201) 6.736 12.381 ( 16.755 -1.314 -8.137) 18.673 14.138 ( 1.508 -5.488 14.227) 15.323 14.475 ( 0.862 -0.058 11.701) 11.732 ======================= Grid point 256 (123/275) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -10.412 7.870 14.996) 19.881 1.632 ( -18.190 5.761 11.422) 22.238 2.787 ( -1.943 -1.635 10.289) 10.598 3.086 ( -7.064 -4.269 7.754) 11.325 3.167 ( 2.380 -5.665 14.704) 15.936 3.296 ( -0.227 -0.899 -0.266) 0.965 3.563 ( 0.176 0.444 7.474) 7.489 4.020 ( -3.155 -8.191 10.374) 13.589 4.090 ( 6.310 0.873 8.885) 10.933 4.648 ( 8.029 3.506 -2.109) 9.011 4.955 ( 4.290 -1.383 -2.350) 5.083 5.134 ( 1.822 0.948 -2.580) 3.298 5.555 ( -1.429 1.316 -11.199) 11.366 6.491 ( -13.843 -7.422 3.338) 16.058 6.715 ( 4.860 -5.362 -4.955) 8.770 7.088 ( -0.229 -4.583 -5.027) 6.806 7.306 ( -0.384 -1.531 -1.714) 2.330 7.376 ( 3.257 5.134 -0.492) 6.100 7.859 ( -6.890 0.028 7.159) 9.936 8.069 ( -7.308 14.997 -0.948) 16.710 8.402 ( -3.054 -3.680 2.697) 5.491 8.888 ( -7.765 -2.676 -12.903) 15.295 9.513 ( 4.741 0.472 8.498) 9.743 9.817 ( 8.890 0.249 2.476) 9.232 10.371 ( -4.021 8.865 -0.522) 9.748 10.753 ( -4.392 -2.918 -0.295) 5.281 10.806 ( -4.686 -4.005 2.002) 6.481 10.996 ( -2.635 5.324 -3.362) 6.825 11.486 ( -3.214 -0.716 -7.390) 8.090 11.834 ( -3.213 5.069 -3.715) 7.058 12.610 ( 11.019 -1.966 -7.355) 13.393 14.275 ( 2.074 -7.569 10.856) 13.396 14.519 ( 1.561 1.448 9.424) 9.662 ======================= Grid point 257 (124/275) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -10.928 2.157 15.484) 19.074 1.404 ( -7.810 5.592 20.788) 22.899 2.672 ( -10.281 4.775 25.684) 28.074 3.099 ( -2.649 -6.850 -1.389) 7.475 3.198 ( -4.235 1.208 0.499) 4.432 3.394 ( 2.767 -8.521 6.449) 11.039 3.575 ( 1.220 5.095 10.117) 11.393 4.062 ( -5.206 -5.818 13.542) 15.631 4.246 ( 13.289 1.415 2.886) 13.672 4.774 ( 9.672 0.768 0.040) 9.702 5.007 ( 1.007 -2.037 -4.019) 4.617 5.162 ( 2.981 0.951 -1.606) 3.517 5.471 ( -2.960 1.953 -10.498) 11.080 6.323 ( -13.683 -3.715 3.906) 14.707 6.896 ( 3.622 -14.586 -3.448) 15.420 7.095 ( -2.330 -2.499 -3.240) 4.709 7.264 ( -3.926 1.880 -4.966) 6.604 7.363 ( 2.775 5.798 -0.967) 6.500 7.740 ( -5.898 18.265 1.188) 19.231 7.777 ( -6.626 0.022 4.373) 7.939 8.422 ( 0.266 -3.286 1.540) 3.638 8.806 ( -1.717 -1.787 -13.680) 13.903 9.646 ( 8.102 -0.668 13.999) 16.189 9.984 ( 10.613 -0.282 0.690) 10.639 10.232 ( -2.312 5.965 0.284) 6.404 10.675 ( -9.825 -3.174 4.077) 11.101 10.789 ( -1.194 -2.212 -1.426) 2.890 10.896 ( -2.702 4.902 0.263) 5.604 11.450 ( -0.536 -1.436 -7.929) 8.076 11.711 ( -4.568 3.343 -3.694) 6.759 12.737 ( 4.991 -1.450 -7.137) 8.829 14.403 ( -0.076 -7.662 6.992) 10.373 14.530 ( -0.041 3.609 7.750) 8.550 ======================= Grid point 259 (125/275) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 1.529 0.000 21.494) 21.549 1.968 ( 12.127 0.000 17.869) 21.595 2.667 ( 1.107 0.000 2.550) 2.780 2.831 ( -5.910 -0.000 -4.616) 7.499 2.996 ( 3.118 0.000 9.850) 10.331 3.388 ( -7.486 -0.000 21.008) 22.302 3.396 ( -6.238 -0.000 -2.505) 6.722 3.995 ( -3.636 -0.000 18.975) 19.320 4.666 ( -4.063 -0.000 -1.506) 4.333 4.892 ( -4.265 -0.000 -3.557) 5.553 4.996 ( -3.682 -0.000 -1.973) 4.178 5.140 ( -5.574 -0.000 -9.170) 10.731 5.311 ( 12.571 0.000 -8.931) 15.421 5.939 ( -6.274 -0.000 10.516) 12.245 6.965 ( 1.712 0.000 -9.000) 9.161 7.048 ( -1.678 -0.000 0.145) 1.684 7.212 ( 8.071 0.000 -2.608) 8.481 7.254 ( -8.403 -0.000 1.633) 8.560 7.447 ( 4.652 0.000 -0.269) 4.659 8.146 ( 9.239 0.000 0.095) 9.239 8.638 ( 3.543 0.000 3.877) 5.251 8.973 ( 9.813 0.000 -7.876) 12.583 10.084 ( -5.021 -0.000 4.399) 6.675 10.226 ( 1.644 0.000 -1.629) 2.314 10.296 ( -4.759 -0.000 5.811) 7.511 10.635 ( 0.933 0.000 1.145) 1.476 10.682 ( 12.129 0.000 3.528) 12.631 10.705 ( 3.246 0.000 -7.397) 8.078 11.410 ( 0.805 0.000 -10.198) 10.230 11.681 ( 4.136 0.000 0.015) 4.136 12.681 ( -3.274 -0.000 -7.878) 8.531 14.186 ( -7.777 -0.000 9.193) 12.041 14.483 ( -5.124 -0.000 13.948) 14.860 ======================= Grid point 260 (126/275) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 5.517 -7.171 17.335) 19.554 2.148 ( 2.077 -4.718 17.059) 17.821 2.567 ( -7.222 0.803 -7.731) 10.610 2.734 ( -5.612 -0.174 -2.531) 6.159 3.175 ( -5.508 11.293 5.426) 13.686 3.263 ( 16.661 -0.173 15.153) 22.522 3.394 ( -6.486 -7.404 12.251) 15.716 3.978 ( -2.619 2.530 17.919) 18.285 4.582 ( -4.461 2.282 0.055) 5.011 4.752 ( -9.718 2.800 0.617) 10.133 4.900 ( -7.652 -2.070 -4.152) 8.948 5.079 ( 0.096 -2.152 -11.722) 11.918 5.490 ( 10.324 -0.753 -11.287) 15.315 5.928 ( 0.745 -3.149 8.770) 9.348 6.951 ( 3.001 5.086 -8.151) 10.065 7.003 ( -5.347 -2.689 -0.234) 5.990 7.100 ( -5.726 2.210 -0.250) 6.142 7.370 ( 3.980 -5.472 -1.177) 6.868 7.553 ( 5.507 -3.061 1.441) 6.464 8.271 ( 5.738 0.617 1.346) 5.926 8.684 ( 2.048 1.009 3.908) 4.526 9.105 ( 8.088 0.676 -4.461) 9.261 9.924 ( -13.070 -0.075 -2.199) 13.254 10.205 ( -1.202 6.813 1.874) 7.168 10.294 ( 2.228 -2.813 2.581) 4.420 10.574 ( -6.663 -4.759 4.875) 9.529 10.779 ( 7.255 0.555 -6.147) 9.526 11.029 ( 22.448 -1.631 0.476) 22.512 11.399 ( 2.090 0.314 -11.958) 12.143 11.738 ( 1.561 -0.898 0.976) 2.048 12.582 ( -4.257 2.599 -9.521) 10.748 14.098 ( -4.213 3.033 12.780) 13.794 14.431 ( -6.953 -1.870 14.214) 15.934 ======================= Grid point 261 (127/275) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 7.916 -11.292 11.130) 17.722 2.227 ( -4.724 -7.196 7.717) 11.561 2.485 ( -1.838 -2.421 4.194) 5.179 2.638 ( -3.972 3.399 2.110) 5.638 2.951 ( -7.586 9.268 2.223) 12.181 3.365 ( -5.535 -5.349 9.411) 12.158 3.606 ( 13.777 -0.433 13.326) 19.172 3.962 ( -0.798 2.729 14.210) 14.492 4.407 ( -11.989 8.532 4.048) 15.262 4.625 ( -1.930 -0.238 -1.110) 2.239 4.792 ( -7.648 -3.877 -4.339) 9.610 5.102 ( 2.716 -2.044 -9.673) 10.253 5.578 ( 3.233 -0.579 -7.323) 8.026 6.074 ( 8.687 -5.624 -0.590) 10.365 6.903 ( -1.563 3.165 -4.190) 5.478 6.938 ( -6.022 -2.255 1.687) 6.648 7.029 ( -2.468 -3.191 -4.835) 6.297 7.452 ( 1.813 -1.721 0.162) 2.505 7.679 ( 3.425 -4.844 3.860) 7.077 8.313 ( 1.616 3.755 3.687) 5.505 8.719 ( 1.722 -0.155 2.333) 2.904 9.184 ( 5.451 2.666 -3.270) 6.893 9.689 ( -13.868 0.433 -4.773) 14.673 10.086 ( -2.053 10.876 3.189) 11.518 10.397 ( 3.090 -6.268 1.198) 7.090 10.563 ( -3.625 -6.256 4.174) 8.348 10.865 ( 6.122 1.831 -4.915) 8.062 11.296 ( 1.285 -2.514 -4.517) 5.327 11.518 ( 22.798 1.355 -7.772) 24.124 11.745 ( -3.201 -2.288 0.572) 3.977 12.446 ( -3.527 5.141 -10.925) 12.579 14.054 ( -1.307 4.036 15.292) 15.870 14.384 ( -6.616 -3.516 14.293) 16.138 ======================= Grid point 262 (128/275) ======================= q-point: (-0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 2.414 -8.689 5.105) 10.363 2.214 ( -3.590 -0.103 4.521) 5.774 2.541 ( -1.108 -0.294 6.143) 6.249 2.578 ( 1.008 -2.773 11.375) 11.752 2.783 ( -5.606 0.046 3.247) 6.478 3.372 ( -3.501 -6.222 6.010) 9.333 3.781 ( 3.910 -0.356 10.569) 11.275 3.961 ( -2.273 1.784 2.294) 3.689 4.100 ( -11.935 11.092 16.079) 22.891 4.638 ( 1.134 -0.848 -2.258) 2.666 4.741 ( -0.973 -3.778 -3.651) 5.343 5.143 ( 2.934 -0.731 -7.215) 7.823 5.592 ( -0.006 -0.788 -4.847) 4.910 6.275 ( 9.035 -4.918 -7.800) 12.910 6.820 ( -10.369 -6.535 -1.919) 12.406 6.881 ( -0.773 1.422 1.947) 2.532 7.050 ( 1.441 -3.738 -4.724) 6.194 7.480 ( 0.449 -0.461 1.369) 1.512 7.777 ( 0.024 -5.135 6.462) 8.254 8.282 ( -0.654 4.571 5.146) 6.914 8.730 ( -0.099 2.419 0.012) 2.421 9.217 ( 2.249 1.828 -6.016) 6.677 9.468 ( -8.482 2.382 -2.466) 9.148 9.939 ( -2.665 10.144 4.208) 11.300 10.506 ( -0.150 -7.932 -0.348) 7.941 10.610 ( 1.015 -4.313 3.713) 5.781 10.895 ( 2.263 3.771 -3.283) 5.488 11.254 ( -3.539 -0.350 -8.628) 9.333 11.669 ( -7.265 -2.542 -2.787) 8.186 11.897 ( 20.999 0.036 -2.481) 21.145 12.321 ( 0.273 5.942 -11.443) 12.896 14.045 ( -0.662 2.597 16.315) 16.534 14.381 ( -3.379 -4.178 14.078) 15.069 ======================= Grid point 263 (129/275) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -11.413 1.949 5.162) 12.677 2.111 ( -4.613 11.703 8.917) 15.420 2.538 ( 2.423 -0.653 5.957) 6.464 2.754 ( 3.277 -12.789 4.523) 13.956 2.839 ( 1.689 -11.725 8.069) 14.333 3.419 ( -0.606 -6.019 4.450) 7.510 3.696 ( -14.778 11.077 6.940) 19.730 3.835 ( -2.066 -2.729 9.926) 10.500 4.049 ( 2.690 2.987 14.080) 14.642 4.651 ( 0.831 -1.435 -2.029) 2.620 4.816 ( 5.332 -2.375 -3.703) 6.913 5.166 ( 2.224 1.335 -5.061) 5.686 5.580 ( -0.811 -1.085 -5.392) 5.560 6.395 ( 2.562 -2.989 -7.972) 8.891 6.695 ( -12.622 -6.344 -0.124) 14.127 6.910 ( 2.471 -3.418 -2.722) 5.020 7.120 ( 2.823 -4.029 -1.693) 5.203 7.499 ( 1.501 0.191 1.915) 2.441 7.818 ( -3.457 -4.083 7.737) 9.407 8.241 ( -1.361 2.143 5.849) 6.376 8.657 ( -0.885 8.179 -2.812) 8.694 9.101 ( -10.094 2.622 -8.600) 13.517 9.440 ( 6.598 2.102 1.389) 7.063 9.829 ( -0.385 6.521 4.493) 7.929 10.553 ( -2.505 -5.421 -1.357) 6.124 10.688 ( 1.562 -3.405 2.713) 4.626 10.830 ( -3.530 4.948 -1.422) 6.242 11.172 ( -3.034 1.023 -8.350) 8.943 11.551 ( -8.368 -2.723 -5.747) 10.511 12.074 ( 3.617 6.494 -3.205) 8.095 12.356 ( 12.422 -0.767 -9.234) 15.497 14.070 ( 0.079 -0.656 15.486) 15.500 14.432 ( -0.364 -3.601 13.399) 13.879 ======================= Grid point 264 (130/275) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -16.083 6.646 9.519) 19.835 1.875 ( -7.298 16.026 11.246) 20.894 2.664 ( 3.899 -7.599 4.969) 9.882 2.926 ( 1.636 -9.324 3.166) 9.981 3.039 ( 2.001 -11.768 3.465) 12.429 3.368 ( -11.193 10.476 16.858) 22.786 3.519 ( 1.739 -4.346 5.591) 7.292 3.846 ( -5.489 -6.185 12.599) 15.070 4.132 ( 7.192 2.033 8.373) 11.224 4.702 ( 5.313 0.396 -1.509) 5.537 4.907 ( 3.053 -2.860 -4.084) 5.846 5.167 ( 2.334 2.338 -3.609) 4.893 5.562 ( -0.742 -0.625 -6.935) 7.003 6.371 ( -8.001 -2.520 -1.007) 8.448 6.591 ( -7.203 -7.963 -3.092) 11.174 6.975 ( 0.539 -4.379 -5.606) 7.134 7.205 ( 1.593 -4.415 0.262) 4.701 7.540 ( 5.326 3.897 1.419) 6.750 7.799 ( -5.318 -3.103 6.231) 8.760 8.217 ( -2.963 -0.065 5.829) 6.540 8.531 ( 1.056 13.460 -3.776) 14.019 8.878 ( -9.121 2.616 -8.625) 12.823 9.547 ( 7.472 2.386 3.812) 8.721 9.835 ( 5.693 1.612 2.480) 6.415 10.521 ( -4.790 0.786 -0.909) 4.938 10.699 ( -7.045 1.333 0.208) 7.173 10.735 ( -0.012 -2.340 0.640) 2.426 11.091 ( -1.972 2.910 -6.199) 7.126 11.448 ( -5.484 -2.721 -6.899) 9.223 11.980 ( -2.248 7.813 -4.643) 9.362 12.552 ( 9.410 -3.192 -6.675) 11.970 14.144 ( 0.934 -4.026 12.989) 13.630 14.504 ( 0.500 -2.537 12.051) 12.326 ======================= Grid point 265 (131/275) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -10.863 6.262 14.688) 19.312 1.633 ( -5.470 15.063 14.544) 21.641 2.780 ( -0.967 -1.025 8.358) 8.476 2.972 ( -4.085 -1.736 5.676) 7.205 3.129 ( -2.949 -6.134 13.143) 14.800 3.247 ( -1.793 -3.628 -3.724) 5.499 3.613 ( 1.190 -2.028 12.050) 12.277 3.879 ( -5.087 -9.066 16.829) 19.781 4.286 ( 12.428 1.784 3.958) 13.164 4.797 ( 7.193 0.921 -0.627) 7.279 4.948 ( -0.251 -3.127 -4.892) 5.811 5.186 ( 3.577 1.465 -3.051) 4.924 5.519 ( -1.940 1.529 -7.883) 8.261 6.226 ( -12.201 -3.328 3.765) 13.195 6.626 ( -0.688 -11.055 -4.586) 11.989 6.983 ( -4.105 -5.481 -4.287) 8.079 7.249 ( -1.001 -2.216 0.661) 2.520 7.553 ( 3.557 9.063 0.044) 9.736 7.771 ( -3.075 -1.248 3.776) 5.027 8.138 ( -2.716 8.914 0.014) 9.318 8.404 ( 0.494 8.798 0.964) 8.864 8.759 ( -0.752 -0.992 -11.244) 11.313 9.660 ( 8.709 2.272 7.872) 11.957 9.970 ( 10.094 -0.799 -0.391) 10.133 10.395 ( -4.906 5.806 1.354) 7.721 10.582 ( -9.618 -3.567 1.994) 10.450 10.750 ( -0.192 -1.154 -1.292) 1.743 11.011 ( -1.676 4.710 -2.846) 5.752 11.399 ( -2.327 -3.145 -6.790) 7.836 11.832 ( -3.865 7.286 -4.798) 9.541 12.679 ( 3.834 -3.770 -6.088) 8.123 14.239 ( -0.595 -6.581 9.838) 11.851 14.556 ( -0.386 -0.947 10.413) 10.463 ======================= Grid point 266 (132/275) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 3.893 4.603 18.726) 19.672 1.471 ( -0.274 10.906 18.178) 21.201 2.684 ( -6.252 8.668 23.926) 26.204 2.973 ( -2.915 -5.177 -3.638) 6.967 3.146 ( -3.062 -0.014 1.393) 3.364 3.279 ( -3.848 -11.845 0.533) 12.466 3.635 ( -3.044 1.527 12.581) 13.034 3.948 ( -4.291 -7.771 18.679) 20.681 4.507 ( 14.928 0.749 -1.031) 14.983 4.889 ( 2.954 -1.496 0.909) 3.433 4.957 ( -0.249 -2.537 -4.648) 5.301 5.217 ( 2.587 1.577 -3.297) 4.478 5.418 ( -4.300 3.531 -8.041) 9.779 6.109 ( -8.307 -3.733 5.418) 10.597 6.767 ( 3.055 -13.102 -3.853) 13.995 6.955 ( -5.409 -6.431 -3.248) 9.009 7.222 ( -2.197 2.277 0.558) 3.213 7.481 ( 0.567 8.207 -1.674) 8.395 7.676 ( -7.955 5.932 2.115) 10.146 7.992 ( 6.421 17.248 -1.963) 18.509 8.416 ( 3.212 -3.659 2.517) 5.481 8.780 ( 4.820 -0.597 -12.006) 12.951 9.835 ( 11.178 0.099 8.888) 14.281 10.154 ( 11.380 -0.978 -1.789) 11.561 10.281 ( -1.607 5.717 3.124) 6.710 10.475 ( -9.863 -4.598 5.322) 12.114 10.747 ( -1.103 -0.946 -2.558) 2.942 10.906 ( -3.868 5.828 -0.655) 7.026 11.401 ( 0.429 -2.975 -6.715) 7.357 11.692 ( -2.508 5.635 -4.474) 7.620 12.732 ( 0.122 -3.457 -6.116) 7.027 14.299 ( -4.548 -7.433 7.118) 11.252 14.560 ( -2.153 1.356 10.430) 10.736 ======================= Grid point 269 (133/275) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 8.531 0.000 15.380) 17.587 2.138 ( -4.233 -0.000 10.142) 10.990 2.464 ( -3.004 -0.000 0.543) 3.053 2.664 ( -3.141 -0.000 1.379) 3.430 3.142 ( -8.220 -0.000 -0.854) 8.264 3.237 ( -7.383 -0.000 13.364) 15.268 3.604 ( 15.388 0.000 13.271) 20.320 3.992 ( -2.416 -0.000 12.835) 13.061 4.558 ( -1.249 -0.000 1.040) 1.625 4.573 ( -13.258 -0.000 3.956) 13.836 4.738 ( -7.519 -0.000 -6.850) 10.171 5.079 ( 4.089 0.000 -10.087) 10.885 5.574 ( 3.420 0.000 -6.618) 7.449 6.009 ( 9.469 0.000 0.129) 9.470 6.835 ( -11.252 -0.000 -1.249) 11.321 7.009 ( 3.631 0.000 -7.025) 7.908 7.015 ( -6.275 -0.000 0.379) 6.287 7.400 ( 2.332 0.000 1.680) 2.874 7.633 ( 4.595 0.000 2.485) 5.224 8.368 ( 4.133 0.000 2.493) 4.827 8.715 ( 0.762 0.000 2.739) 2.843 9.219 ( 6.288 0.000 -3.657) 7.274 9.696 ( -13.239 -0.000 -2.637) 13.499 10.224 ( -2.175 -0.000 -0.548) 2.243 10.352 ( 4.992 0.000 5.424) 7.372 10.441 ( -6.539 -0.000 4.141) 7.740 10.886 ( 6.930 0.000 -5.392) 8.781 11.266 ( 3.844 0.000 -3.811) 5.413 11.533 ( 21.281 0.000 -9.129) 23.156 11.718 ( -4.063 -0.000 1.453) 4.315 12.503 ( -3.532 -0.000 -11.407) 11.941 14.117 ( -0.229 -0.000 14.070) 14.072 14.329 ( -8.591 -0.000 15.251) 17.504 ======================= Grid point 270 (134/275) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 9.389 -4.650 10.604) 14.907 2.104 ( -3.609 -4.678 5.481) 8.059 2.473 ( 0.596 -1.126 8.112) 8.211 2.631 ( -1.834 0.468 6.917) 7.171 2.933 ( -8.349 10.582 2.724) 13.752 3.216 ( -5.425 -7.925 6.782) 11.757 3.790 ( 4.016 0.643 10.102) 10.890 3.970 ( -3.192 -0.292 3.059) 4.431 4.332 ( -9.955 9.417 8.962) 16.374 4.544 ( -6.626 -6.649 -0.692) 9.412 4.691 ( 3.539 -0.893 -4.338) 5.669 5.135 ( 5.078 -0.106 -7.014) 8.660 5.587 ( 0.407 0.143 -2.851) 2.883 6.194 ( 11.658 -2.077 -7.337) 13.931 6.654 ( -13.951 -5.524 -1.432) 15.073 6.914 ( -4.600 1.191 0.152) 4.754 7.055 ( 4.919 1.345 -4.655) 6.905 7.431 ( -1.080 -2.114 4.115) 4.751 7.698 ( 0.634 -2.184 4.999) 5.492 8.398 ( 1.247 4.130 3.845) 5.779 8.745 ( 2.243 -0.322 0.522) 2.326 9.259 ( 0.211 1.405 -8.278) 8.399 9.521 ( -4.955 1.882 1.269) 5.450 10.128 ( -5.795 5.693 3.815) 8.975 10.373 ( -1.277 -2.532 0.008) 2.836 10.494 ( 3.386 -5.460 4.204) 7.678 10.960 ( 4.298 1.717 -3.733) 5.946 11.243 ( -2.668 -0.399 -9.272) 9.657 11.619 ( -8.717 -1.527 -0.981) 8.904 11.898 ( 22.603 0.025 -4.153) 22.982 12.415 ( -1.767 2.355 -11.626) 11.993 14.134 ( -0.474 5.033 15.591) 16.390 14.274 ( -5.243 -5.317 15.184) 16.921 ======================= Grid point 271 (135/275) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -1.090 0.004 5.638) 5.742 2.215 ( 5.109 -5.640 6.907) 10.277 2.508 ( -1.441 -3.691 11.942) 12.582 2.661 ( -2.418 -6.085 7.334) 9.832 2.691 ( -3.762 12.707 5.466) 14.335 3.263 ( -1.266 -8.443 3.582) 9.258 3.799 ( -4.056 0.380 5.577) 6.906 3.884 ( -6.840 3.095 -1.425) 7.642 4.152 ( -2.547 7.826 14.987) 17.098 4.542 ( -2.108 -7.644 -0.242) 7.933 4.779 ( 5.650 -1.123 -3.806) 6.904 5.196 ( 4.739 1.240 -4.323) 6.533 5.574 ( -0.578 0.546 -2.340) 2.471 6.348 ( 6.458 -1.464 -9.875) 11.890 6.499 ( -14.745 -9.348 -1.058) 17.490 6.860 ( -1.985 -1.754 -0.527) 2.701 7.117 ( 6.188 2.277 -2.952) 7.225 7.443 ( -1.634 -2.933 5.763) 6.670 7.730 ( -2.997 -4.447 7.353) 9.101 8.353 ( -0.573 6.242 3.725) 7.292 8.777 ( 3.172 3.159 -1.888) 4.859 9.154 ( -6.442 1.871 -8.762) 11.035 9.518 ( 6.620 4.412 2.365) 8.300 9.975 ( -5.328 6.233 4.982) 9.594 10.401 ( -2.096 -6.696 -1.315) 7.138 10.606 ( 2.564 -4.133 2.306) 5.383 10.949 ( -0.770 4.981 -1.976) 5.414 11.170 ( -3.265 -0.883 -9.590) 10.169 11.485 ( -9.049 -2.871 -4.618) 10.557 12.177 ( 11.170 2.782 -2.622) 11.807 12.357 ( 3.300 0.755 -10.747) 11.268 14.101 ( -1.862 3.111 15.850) 16.260 14.336 ( -0.250 -4.974 14.655) 15.478 ======================= Grid point 272 (136/275) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -10.481 7.181 8.501) 15.287 2.226 ( -1.775 13.332 9.514) 16.475 2.541 ( -2.822 -2.311 4.550) 5.832 2.667 ( 3.162 -15.261 4.204) 16.142 2.799 ( 4.352 -6.054 7.570) 10.625 3.373 ( 2.175 -7.991 5.034) 9.691 3.638 ( -8.800 10.665 4.677) 14.597 3.767 ( -6.778 -0.856 11.894) 13.716 4.162 ( 4.763 0.924 7.374) 8.827 4.637 ( 4.034 -5.961 0.839) 7.246 4.856 ( 3.242 -1.570 -4.618) 5.857 5.232 ( 3.730 3.257 -2.691) 5.636 5.551 ( -0.806 0.058 -3.334) 3.431 6.357 ( -10.698 -3.414 -1.635) 11.348 6.380 ( -4.284 -6.696 -6.431) 10.225 6.872 ( -1.991 -5.180 -2.855) 6.241 7.184 ( 5.642 2.245 -2.114) 6.429 7.500 ( 2.385 -4.512 6.198) 8.029 7.740 ( -3.928 -4.307 7.406) 9.425 8.276 ( -1.921 5.496 2.747) 6.438 8.771 ( 5.210 8.369 -4.248) 10.734 8.985 ( -7.083 5.930 -4.672) 10.352 9.616 ( 9.515 4.092 1.899) 10.530 9.886 ( 0.326 2.874 2.857) 4.065 10.416 ( -5.386 -6.804 -0.586) 8.697 10.667 ( -0.996 -3.341 -0.556) 3.531 10.833 ( -3.236 7.039 -1.467) 7.885 11.114 ( -2.132 -0.670 -7.411) 7.741 11.379 ( -6.227 -3.346 -6.327) 9.487 12.146 ( -1.749 7.191 -5.838) 9.426 12.478 ( 7.242 -3.575 -5.420) 9.726 14.107 ( -0.296 0.323 14.194) 14.200 14.427 ( 0.397 -4.158 13.986) 14.596 ======================= Grid point 273 (137/275) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -9.345 9.798 12.734) 18.587 2.014 ( -3.477 19.140 10.119) 21.928 2.625 ( 1.687 -8.995 2.537) 9.497 2.860 ( 1.452 -11.646 -0.662) 11.755 2.955 ( 2.235 -7.784 3.498) 8.821 3.387 ( -7.930 13.254 13.083) 20.241 3.503 ( 0.051 -6.699 10.319) 12.303 3.729 ( -5.412 -4.877 16.875) 18.380 4.300 ( 10.146 -0.991 2.046) 10.398 4.775 ( 4.918 -3.458 1.230) 6.137 4.896 ( 1.988 -1.185 -4.975) 5.487 5.241 ( 3.446 3.684 -3.246) 5.999 5.528 ( -1.233 -0.295 -3.968) 4.166 6.195 ( -11.140 -1.177 0.934) 11.241 6.395 ( -1.781 -9.334 -5.494) 10.976 6.857 ( -6.355 -6.116 -3.050) 9.332 7.234 ( 3.655 1.553 -1.896) 4.400 7.642 ( 6.304 -3.258 5.643) 9.067 7.730 ( -2.669 -1.164 4.143) 5.064 8.194 ( -3.113 3.065 2.415) 4.992 8.720 ( 0.642 13.956 -0.721) 13.989 8.817 ( 1.169 6.469 -8.185) 10.498 9.728 ( 8.786 3.652 3.852) 10.265 9.956 ( 8.797 -0.508 -1.196) 8.893 10.359 ( -9.736 -5.933 1.099) 11.454 10.600 ( -7.515 1.488 0.465) 7.675 10.764 ( 2.137 3.113 -4.043) 5.532 11.072 ( -1.210 0.754 -4.488) 4.709 11.322 ( -3.458 -3.722 -6.100) 7.939 12.000 ( -3.779 7.830 -5.847) 10.478 12.585 ( 2.088 -4.686 -4.010) 6.512 14.145 ( -0.927 -2.021 11.984) 12.189 14.505 ( -0.382 -3.385 12.947) 13.387 ======================= Grid point 274 (138/275) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 5.671 8.039 16.016) 18.796 1.797 ( -1.264 18.250 11.615) 21.670 2.740 ( 0.131 -6.455 -0.220) 6.460 2.973 ( 1.590 -2.088 1.639) 3.094 2.990 ( -6.738 -6.072 6.224) 11.001 3.202 ( -4.766 6.061 6.998) 10.413 3.563 ( -4.906 -7.266 13.937) 16.465 3.790 ( -2.229 -6.028 22.041) 22.959 4.500 ( 11.380 -2.078 -1.910) 11.725 4.835 ( -1.003 -3.054 -2.175) 3.881 4.938 ( 3.040 0.602 -0.678) 3.173 5.256 ( 3.716 2.461 -5.087) 6.764 5.482 ( -2.550 1.805 -4.896) 5.808 6.062 ( -6.097 -0.411 3.814) 7.204 6.511 ( 3.866 -11.392 -4.520) 12.852 6.805 ( -6.878 -7.119 -2.969) 10.334 7.256 ( 1.646 1.694 -1.253) 2.674 7.653 ( -1.275 6.692 1.471) 6.969 7.764 ( 0.193 1.641 3.313) 3.702 8.157 ( 0.777 -1.208 2.581) 2.954 8.539 ( -1.761 12.824 0.477) 12.953 8.822 ( 8.677 6.219 -10.845) 15.217 9.863 ( 10.566 1.922 2.692) 11.072 10.128 ( 9.578 -1.508 -2.159) 9.933 10.272 ( -7.336 -5.676 3.545) 9.930 10.463 ( -6.340 2.625 3.774) 7.831 10.755 ( 1.062 1.771 -6.897) 7.199 11.014 ( -2.956 3.586 -1.347) 4.839 11.322 ( 0.368 -4.266 -5.634) 7.077 11.839 ( -3.514 7.516 -5.580) 9.998 12.634 ( -1.292 -5.370 -3.817) 6.714 14.170 ( -3.938 -3.954 10.513) 11.902 14.551 ( -1.783 -1.987 12.084) 12.375 ======================= Grid point 275 (139/275) ======================= q-point: (-0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 2.895 14.070 14.018) 20.072 1.766 ( 17.551 7.054 15.971) 24.757 2.723 ( -4.258 3.106 6.584) 8.433 2.914 ( -2.637 1.143 5.036) 5.798 3.051 ( -6.551 -8.515 -0.426) 10.751 3.106 ( -2.774 -1.291 3.677) 4.784 3.581 ( -5.399 -3.707 14.130) 15.574 3.870 ( -3.343 -5.819 22.954) 23.915 4.648 ( 2.879 -3.029 -5.534) 6.935 4.838 ( -1.455 -3.415 -5.178) 6.371 4.975 ( 2.081 -0.608 4.541) 5.032 5.265 ( 1.951 2.494 -7.113) 7.786 5.380 ( -2.267 5.257 -7.373) 9.335 6.020 ( -2.510 0.314 7.431) 7.850 6.709 ( 4.964 -10.135 -4.433) 12.124 6.816 ( 1.214 -8.589 -3.851) 9.491 7.245 ( 0.564 3.333 0.468) 3.412 7.536 ( -3.525 6.880 -2.586) 8.152 7.665 ( -3.227 8.741 2.990) 9.786 8.203 ( 3.407 5.673 1.195) 6.725 8.472 ( 4.475 1.285 2.419) 5.247 8.887 ( 9.065 3.594 -10.251) 14.148 10.018 ( 8.168 -0.017 -1.513) 8.307 10.178 ( -6.774 -8.054 5.734) 11.985 10.330 ( 1.952 4.129 1.511) 4.811 10.423 ( 8.846 -0.837 3.279) 9.471 10.721 ( -0.282 0.948 -9.342) 9.394 10.888 ( -5.695 6.017 1.954) 8.512 11.380 ( 2.826 -2.758 -5.640) 6.885 11.718 ( -0.290 5.338 -4.669) 7.098 12.645 ( -2.928 -5.407 -4.680) 7.727 14.156 ( -6.888 -5.002 10.328) 13.384 14.552 ( -3.300 -0.025 12.160) 12.599 ======================= Grid point 279 (140/275) ======================= q-point: ( 0.33 -0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 10.335 0.000 8.714) 13.518 2.055 ( -0.315 -0.000 6.569) 6.577 2.512 ( 1.429 0.000 8.367) 8.488 2.578 ( -8.637 -0.000 10.123) 13.307 2.920 ( -3.613 -0.000 8.674) 9.396 3.102 ( -2.247 -0.000 1.543) 2.726 3.813 ( -4.223 -0.000 9.281) 10.196 3.891 ( -3.919 -0.000 -7.302) 8.287 4.342 ( -8.396 -0.000 -2.309) 8.707 4.365 ( 0.503 0.000 13.506) 13.516 4.766 ( 5.615 0.000 -3.253) 6.489 5.211 ( 5.601 0.000 -3.730) 6.729 5.585 ( -0.193 -0.000 -1.531) 1.543 6.336 ( 8.905 0.000 -10.057) 13.433 6.380 ( -15.179 -0.000 -1.290) 15.233 6.840 ( -4.333 -0.000 -1.312) 4.527 7.151 ( 6.744 0.000 -1.710) 6.958 7.412 ( -1.547 -0.000 7.382) 7.542 7.669 ( -3.969 -0.000 5.856) 7.074 8.431 ( -1.492 -0.000 3.979) 4.249 8.808 ( 5.687 0.000 -1.418) 5.861 9.175 ( -5.258 -0.000 -9.820) 11.139 9.578 ( 6.612 0.000 3.707) 7.580 10.049 ( -8.065 -0.000 5.024) 9.502 10.324 ( -1.790 -0.000 -1.929) 2.632 10.548 ( 3.811 0.000 2.537) 4.578 11.011 ( 1.399 0.000 -1.549) 2.088 11.153 ( -4.679 -0.000 -10.952) 11.909 11.451 ( -9.184 -0.000 -3.822) 9.947 12.203 ( 15.488 0.000 -2.604) 15.705 12.370 ( -1.669 -0.000 -11.097) 11.222 14.162 ( -5.434 -0.000 15.920) 16.822 14.256 ( 2.650 0.000 15.041) 15.273 ======================= Grid point 281 (141/275) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -0.602 7.845 7.662) 10.983 2.269 ( 7.221 -8.372 5.831) 12.500 2.422 ( -10.485 -2.979 9.696) 14.589 2.557 ( -1.898 -0.878 8.942) 9.183 2.857 ( 2.444 10.512 10.398) 14.987 3.174 ( 1.899 -9.984 0.640) 10.183 3.726 ( -7.868 0.678 8.491) 11.596 3.829 ( -1.515 2.353 -4.839) 5.590 4.201 ( -3.176 2.747 2.040) 4.669 4.501 ( 6.463 -5.011 8.296) 11.649 4.834 ( 3.503 -0.492 -3.740) 5.148 5.285 ( 4.932 1.333 -0.945) 5.195 5.566 ( -1.097 0.906 -2.222) 2.638 6.171 ( -13.483 -5.781 -1.227) 14.721 6.393 ( 1.048 0.877 -9.098) 9.200 6.785 ( -3.346 -2.315 -2.386) 4.716 7.250 ( 6.685 2.516 0.708) 7.178 7.432 ( 1.306 -1.262 7.090) 7.319 7.628 ( -4.973 -4.337 6.010) 8.925 8.383 ( -2.809 3.066 2.220) 4.714 8.895 ( 6.952 3.012 -2.101) 7.862 9.082 ( -2.583 2.485 -5.535) 6.594 9.705 ( 9.585 3.125 2.624) 10.418 9.933 ( -5.601 0.883 3.635) 6.735 10.303 ( -2.791 -2.781 -1.978) 4.409 10.597 ( -0.039 -2.387 -0.791) 2.514 10.967 ( -3.025 5.244 -2.716) 6.635 11.068 ( -3.687 -3.315 -7.852) 9.286 11.324 ( -5.609 -1.385 -5.637) 8.071 12.277 ( -1.602 4.642 -8.228) 9.582 12.402 ( 5.912 -3.312 -2.881) 7.363 14.134 ( -1.788 1.428 14.754) 14.931 14.347 ( 1.346 -2.589 14.734) 15.020 ======================= Grid point 282 (142/275) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -6.687 12.452 9.732) 17.160 2.366 ( 0.338 8.883 9.187) 12.783 2.449 ( -1.108 -8.838 3.615) 9.613 2.569 ( 0.084 -8.735 6.803) 11.072 2.883 ( 5.678 1.751 5.328) 7.980 3.318 ( 0.982 -9.118 0.697) 9.197 3.623 ( -6.719 -0.142 13.341) 14.938 3.719 ( -4.392 9.627 8.108) 13.331 4.230 ( 4.355 -5.270 -1.715) 7.049 4.696 ( 8.661 -2.652 4.543) 10.133 4.877 ( 2.748 -0.952 -3.666) 4.679 5.328 ( 3.623 3.635 -0.259) 5.139 5.524 ( -1.988 0.269 -2.565) 3.256 6.068 ( -8.538 -8.627 -1.329) 12.210 6.322 ( -4.181 0.924 -5.983) 7.357 6.748 ( -4.876 -3.512 -3.151) 6.785 7.306 ( 4.774 4.491 -0.210) 6.557 7.535 ( 5.498 -4.418 7.066) 9.984 7.648 ( -1.771 -6.170 4.831) 8.034 8.298 ( -2.553 4.999 0.070) 5.613 8.941 ( 1.595 6.605 1.266) 6.912 8.987 ( 2.510 7.718 -4.254) 9.163 9.806 ( 5.820 3.289 1.993) 6.976 9.937 ( 6.277 -1.708 -0.454) 6.521 10.254 ( -6.948 -2.725 -0.179) 7.465 10.585 ( -4.056 -1.976 -3.197) 5.530 10.855 ( -1.188 4.326 -5.821) 7.349 11.043 ( -1.918 -3.091 -4.500) 5.786 11.259 ( -3.213 -1.742 -4.698) 5.952 12.152 ( -3.764 5.897 -7.621) 10.345 12.488 ( 0.634 -4.114 -1.125) 4.312 14.140 ( -1.028 0.976 12.949) 13.027 14.428 ( -0.106 -3.343 14.181) 14.570 ======================= Grid point 283 (143/275) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 4.341 10.884 12.074) 16.825 2.206 ( -1.494 18.187 9.236) 20.453 2.570 ( 2.714 -7.809 1.983) 8.502 2.698 ( -2.963 -13.318 1.111) 13.688 2.985 ( 4.995 -1.232 0.821) 5.210 3.333 ( -7.991 -3.921 0.911) 8.947 3.539 ( -3.056 12.462 19.002) 22.928 3.660 ( -2.224 -6.554 20.466) 21.604 4.393 ( 6.125 -8.076 -4.329) 11.022 4.794 ( 1.544 -0.122 -2.014) 2.541 4.952 ( 4.677 -0.019 0.850) 4.754 5.327 ( 2.733 3.979 -4.027) 6.287 5.497 ( -1.060 -0.174 -0.878) 1.388 6.046 ( -2.755 -3.011 0.159) 4.084 6.291 ( 0.266 -7.363 -3.904) 8.338 6.685 ( -5.733 -3.312 -3.535) 7.506 7.318 ( 3.249 4.172 -2.166) 5.714 7.697 ( 0.719 -3.127 0.879) 3.327 7.722 ( 6.200 -4.445 9.850) 12.458 8.196 ( -2.565 5.228 -0.858) 5.887 8.786 ( -4.628 10.779 3.534) 12.251 9.013 ( 8.648 8.569 -5.880) 13.520 9.887 ( 6.651 -0.525 -3.546) 7.555 10.072 ( -0.217 -3.082 3.311) 4.529 10.188 ( 2.981 -1.277 -0.189) 3.249 10.496 ( -6.029 0.737 -0.716) 6.116 10.806 ( 0.839 2.354 -9.945) 10.254 11.044 ( -0.701 -1.282 -2.020) 2.493 11.234 ( -0.846 -3.018 -3.879) 4.987 11.997 ( -4.202 6.816 -6.567) 10.356 12.516 ( -2.710 -5.208 -0.739) 5.917 14.134 ( -3.136 0.316 11.852) 12.264 14.489 ( -1.466 -3.410 13.556) 14.055 ======================= Grid point 284 (144/275) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 16.201 8.563 12.612) 22.245 2.032 ( 3.037 17.304 9.594) 20.017 2.677 ( 0.775 -5.186 -2.086) 5.644 2.739 ( -8.656 -11.592 0.307) 14.471 3.051 ( 4.116 1.749 -3.064) 5.421 3.196 ( -9.168 4.160 10.072) 14.241 3.475 ( -2.816 0.044 21.187) 21.374 3.759 ( -1.962 -5.299 22.523) 23.221 4.531 ( 1.021 -7.885 -6.221) 10.095 4.790 ( -1.440 -1.000 -4.868) 5.174 4.983 ( 0.527 1.339 3.829) 4.090 5.323 ( 2.377 2.650 -8.020) 8.775 5.466 ( -0.243 2.647 -2.985) 3.997 6.047 ( 1.331 1.634 4.690) 5.142 6.479 ( 8.870 -12.546 -3.379) 15.732 6.644 ( -2.294 -4.961 -4.482) 7.068 7.311 ( 1.800 3.664 -2.603) 4.842 7.691 ( -1.538 4.757 1.094) 5.118 7.810 ( 0.071 4.229 4.646) 6.283 8.170 ( 2.643 -2.815 3.173) 4.997 8.631 ( -1.294 9.433 2.775) 9.918 9.031 ( 7.552 8.857 -7.452) 13.821 9.942 ( -5.842 -7.522 -4.988) 10.751 10.083 ( 4.875 0.094 3.896) 6.241 10.377 ( 7.550 -3.465 4.405) 9.402 10.405 ( 2.559 3.225 -2.633) 4.887 10.751 ( -1.318 1.415 -12.565) 12.713 11.001 ( -2.744 3.978 1.754) 5.141 11.298 ( 4.250 -4.640 -4.712) 7.861 11.850 ( -2.611 6.453 -5.679) 8.984 12.516 ( -4.404 -6.186 -1.414) 7.724 14.094 ( -5.616 -0.635 12.044) 13.304 14.522 ( -2.774 -2.538 13.125) 13.653 ======================= Grid point 285 (145/275) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 4.079 17.127 9.490) 20.000 2.190 ( 18.806 6.555 13.149) 23.865 2.649 ( -6.681 -2.048 -4.357) 8.235 2.720 ( -7.474 -9.498 -0.972) 12.125 3.035 ( -7.653 0.700 5.591) 9.504 3.113 ( 7.347 5.250 8.681) 12.526 3.510 ( -2.848 -2.531 18.308) 18.700 3.825 ( -3.103 -4.302 22.939) 23.544 4.556 ( -4.253 -5.262 -5.952) 9.012 4.737 ( -6.016 -3.544 -3.259) 7.706 4.994 ( -0.575 -0.327 2.550) 2.635 5.263 ( -2.790 3.713 -8.001) 9.251 5.460 ( 6.703 4.107 -9.859) 12.610 6.058 ( 1.150 3.994 7.556) 8.624 6.663 ( 3.394 -6.091 -5.449) 8.849 6.805 ( 9.706 -10.938 -3.013) 14.931 7.291 ( 0.753 2.150 -0.852) 2.432 7.528 ( -6.897 9.835 -1.515) 12.108 7.757 ( 1.742 7.869 2.761) 8.519 8.260 ( 0.971 -1.212 5.080) 5.312 8.585 ( 4.394 3.960 2.766) 6.529 9.042 ( 5.818 4.907 -6.830) 10.227 9.925 ( -6.232 -10.811 0.766) 12.502 10.116 ( -3.704 1.544 -3.439) 5.285 10.371 ( 3.132 1.862 0.703) 3.711 10.635 ( 10.437 -0.866 -0.488) 10.484 10.709 ( 3.651 -1.056 -6.015) 7.115 10.915 ( 1.882 7.500 0.235) 7.736 11.389 ( 2.717 -1.867 -5.487) 6.401 11.767 ( 1.417 3.852 -4.263) 5.918 12.502 ( -5.147 -6.905 -3.736) 9.388 14.042 ( -6.153 -1.836 13.223) 14.700 14.520 ( -4.110 -0.821 13.085) 13.740 ======================= Grid point 290 (146/275) ======================= q-point: ( 0.44 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -10.532 -0.000 4.758) 11.557 2.187 ( 4.801 0.000 8.510) 9.771 2.386 ( 3.288 0.000 7.917) 8.572 2.569 ( -0.990 -0.000 10.063) 10.112 2.999 ( 0.163 0.000 19.811) 19.811 3.146 ( 5.798 0.000 -12.232) 13.536 3.602 ( -10.394 -0.000 13.549) 17.076 3.867 ( 4.200 0.000 -4.686) 6.293 4.140 ( -3.665 -0.000 0.437) 3.691 4.671 ( 12.773 0.000 7.674) 14.901 4.862 ( 1.548 0.000 -3.836) 4.136 5.369 ( 4.100 0.000 2.262) 4.682 5.536 ( -2.559 -0.000 -3.327) 4.197 5.956 ( -7.736 -0.000 -1.527) 7.886 6.339 ( -5.376 -0.000 -6.911) 8.756 6.711 ( -3.146 -0.000 -3.057) 4.387 7.379 ( 6.174 0.000 5.738) 8.429 7.494 ( 4.983 0.000 3.002) 5.817 7.540 ( -3.198 -0.000 4.024) 5.140 8.358 ( -2.339 -0.000 -0.153) 2.344 9.009 ( 4.347 0.000 0.970) 4.453 9.085 ( 1.417 0.000 -1.803) 2.293 9.856 ( -3.101 -0.000 -1.377) 3.393 9.895 ( 10.061 0.000 3.898) 10.789 10.237 ( -3.646 -0.000 -1.060) 3.797 10.554 ( -1.851 -0.000 -5.763) 6.053 10.922 ( -4.560 -0.000 -10.091) 11.073 10.983 ( -1.587 -0.000 -0.582) 1.690 11.243 ( -2.469 -0.000 -3.944) 4.653 12.227 ( -3.863 -0.000 -10.083) 10.798 12.433 ( 0.201 0.000 1.775) 1.786 14.157 ( -1.093 -0.000 13.345) 13.389 14.385 ( 0.090 0.000 14.391) 14.392 ======================= Grid point 292 (147/275) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 1.409 10.359 6.743) 12.441 2.366 ( 3.892 -10.856 4.946) 12.548 2.453 ( 1.221 0.756 7.208) 7.350 2.550 ( -1.872 3.215 10.204) 10.861 3.011 ( 2.180 3.944 10.540) 11.463 3.218 ( -1.984 -5.038 -9.515) 10.947 3.523 ( -5.111 -4.728 18.163) 19.452 3.841 ( 0.438 12.550 6.254) 14.029 4.178 ( 1.299 -10.494 -1.990) 10.760 4.832 ( 2.795 3.201 -2.270) 4.818 4.918 ( 7.439 -2.970 0.846) 8.054 5.416 ( 1.642 3.649 0.959) 4.115 5.482 ( -1.660 -1.170 -0.670) 2.139 5.932 ( 2.120 -4.703 -2.020) 5.540 6.221 ( -6.124 -0.726 -4.482) 7.623 6.657 ( -2.602 -0.012 -3.480) 4.346 7.430 ( 3.610 5.965 0.457) 6.988 7.588 ( 1.787 -6.603 2.875) 7.420 7.618 ( 7.361 -2.917 7.442) 10.866 8.303 ( -2.165 3.185 -2.388) 4.531 8.994 ( -3.267 7.162 5.365) 9.527 9.121 ( 4.860 1.209 -0.150) 5.011 9.840 ( 0.896 -2.294 -9.082) 9.410 10.049 ( 5.126 0.396 7.084) 8.753 10.177 ( -1.010 -0.324 1.455) 1.800 10.516 ( -0.254 0.968 -10.066) 10.115 10.842 ( -0.907 1.016 -9.652) 9.747 10.972 ( -1.194 -3.510 -3.263) 4.939 11.210 ( -0.851 0.036 -0.896) 1.236 12.114 ( -4.418 3.360 -8.504) 10.155 12.425 ( -3.543 -2.753 2.509) 5.140 14.159 ( -2.397 1.224 12.357) 12.646 14.423 ( -1.483 -2.070 14.083) 14.312 ======================= Grid point 293 (148/275) ======================= q-point: (-0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 13.604 7.649 8.745) 17.890 2.385 ( -0.605 12.546 8.312) 15.061 2.525 ( -3.195 -7.836 3.877) 9.308 2.567 ( 3.348 -3.833 3.119) 5.969 3.062 ( 4.035 -0.006 3.293) 5.209 3.136 ( -9.977 -4.166 0.685) 10.834 3.602 ( -1.676 -5.026 17.234) 18.030 3.718 ( 0.356 12.737 15.777) 20.280 4.319 ( 1.020 -11.383 -4.325) 12.219 4.791 ( -3.340 0.783 -4.404) 5.582 5.018 ( 2.411 1.383 0.513) 2.827 5.370 ( -0.289 1.707 -5.802) 6.055 5.501 ( 1.038 0.734 2.592) 2.887 6.061 ( 5.414 -0.742 -0.178) 5.467 6.216 ( 4.586 -9.677 -3.273) 11.198 6.616 ( 0.072 1.234 -3.880) 4.072 7.414 ( 2.458 5.735 -2.614) 6.765 7.688 ( 2.937 -3.747 0.552) 4.793 7.809 ( 6.182 -3.539 12.169) 14.101 8.208 ( -2.374 4.766 -3.559) 6.405 8.839 ( -4.720 9.507 6.105) 12.245 9.182 ( 5.117 3.404 -1.223) 6.267 9.807 ( -7.118 -3.585 -8.049) 11.327 10.106 ( 6.942 1.661 3.033) 7.756 10.275 ( 1.933 -5.500 6.217) 8.523 10.481 ( 5.121 3.425 -12.220) 13.685 10.781 ( -2.067 1.896 -10.923) 11.277 11.014 ( 0.887 -3.749 -1.624) 4.181 11.225 ( 3.503 -0.944 -1.491) 3.923 11.979 ( -3.785 5.060 -6.598) 9.135 12.395 ( -5.643 -4.656 1.836) 7.543 14.117 ( -4.397 2.123 12.434) 13.358 14.456 ( -2.611 -3.200 13.851) 14.453 ======================= Grid point 294 (149/275) ======================= q-point: (-0.22 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 6.020 10.161 8.338) 14.457 2.331 ( 13.562 8.139 8.985) 18.191 2.492 ( -9.117 -5.760 3.007) 11.196 2.652 ( 1.110 -1.411 -2.336) 2.946 3.015 ( -9.300 -2.982 1.493) 9.880 3.168 ( 6.351 -1.004 6.368) 9.050 3.581 ( -0.066 9.003 20.197) 22.113 3.738 ( -1.117 -2.938 19.686) 19.936 4.410 ( -1.420 -8.317 -6.680) 10.762 4.679 ( -9.600 -1.751 -2.610) 10.101 5.008 ( -0.729 1.638 0.948) 2.028 5.327 ( -1.945 1.681 -6.320) 6.823 5.521 ( 4.380 1.783 -5.020) 6.897 6.110 ( 2.654 0.432 1.510) 3.084 6.507 ( 11.921 -12.136 -2.556) 17.203 6.635 ( 5.882 0.430 -3.577) 6.897 7.364 ( -0.492 4.977 -3.462) 6.083 7.721 ( -1.617 5.229 1.556) 5.690 7.877 ( 1.076 3.653 5.937) 7.054 8.193 ( 2.588 -2.771 3.423) 5.109 8.712 ( -1.329 6.511 4.252) 7.889 9.186 ( 2.789 6.989 -3.341) 8.233 9.716 ( -7.628 -7.330 -1.705) 10.716 10.164 ( -3.321 2.865 -5.031) 6.674 10.342 ( 5.532 -4.398 -1.533) 7.232 10.621 ( 12.318 -2.848 -3.335) 13.076 10.696 ( -1.568 2.745 -5.437) 6.289 11.034 ( 2.213 2.337 -1.116) 3.407 11.334 ( 6.694 -2.439 -4.463) 8.407 11.862 ( -1.500 4.719 -5.249) 7.216 12.354 ( -6.981 -6.400 -0.088) 9.471 14.048 ( -4.977 2.166 13.530) 14.578 14.477 ( -3.442 -2.933 13.657) 14.387 ======================= Grid point 295 (150/275) ======================= q-point: (-0.11 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 3.388 13.789 6.993) 15.828 2.396 ( -10.599 -5.913 2.393) 12.371 2.551 ( 10.468 3.108 7.486) 13.239 2.625 ( -1.447 2.402 -1.264) 3.075 2.903 ( -7.953 -1.423 5.376) 9.704 3.330 ( 11.101 0.953 6.242) 12.771 3.569 ( 1.716 6.269 19.681) 20.727 3.800 ( -1.569 -3.591 19.837) 20.220 4.386 ( -9.885 -4.618 -3.423) 11.435 4.568 ( -5.500 -5.760 -2.737) 8.421 4.962 ( -4.089 0.589 0.211) 4.136 5.241 ( -2.323 3.484 -6.802) 7.987 5.571 ( 5.776 1.662 -10.127) 11.777 6.157 ( 4.714 2.653 0.746) 5.460 6.689 ( 6.335 -2.157 -2.541) 7.158 6.849 ( 9.238 -7.716 -2.957) 12.394 7.299 ( -0.931 0.322 -2.064) 2.287 7.527 ( -7.778 12.223 -0.422) 14.494 7.884 ( 2.957 5.899 4.286) 7.868 8.264 ( -0.192 -1.404 7.056) 7.197 8.683 ( 1.740 1.854 2.412) 3.504 9.132 ( 1.173 4.811 -3.396) 6.004 9.731 ( -2.778 -10.767 0.647) 11.138 9.962 ( -13.688 1.632 -8.270) 16.075 10.495 ( 9.078 0.732 -5.429) 10.603 10.651 ( -0.768 0.157 0.055) 0.786 10.800 ( 3.470 -0.245 4.537) 5.717 11.134 ( 16.921 0.496 -6.618) 18.176 11.403 ( 2.141 1.989 -4.567) 5.422 11.818 ( 1.929 2.325 -3.695) 4.773 12.311 ( -7.038 -8.135 -4.146) 11.528 13.997 ( -3.476 1.166 15.002) 15.444 14.476 ( -4.126 -1.286 13.525) 14.199 ======================= Grid point 301 (151/275) ======================= q-point: (-0.44 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 8.268 0.000 4.473) 9.401 2.398 ( 4.959 0.000 5.971) 7.762 2.495 ( 2.012 0.000 7.026) 7.309 2.574 ( -1.913 -0.000 10.766) 10.935 3.070 ( -0.393 -0.000 15.099) 15.104 3.097 ( -6.800 -0.000 -9.640) 11.797 3.505 ( 1.104 0.000 12.894) 12.941 3.973 ( 0.585 0.000 7.893) 7.914 4.099 ( 1.004 0.000 -0.640) 1.191 4.804 ( -5.339 -0.000 -3.738) 6.517 5.032 ( 5.625 0.000 -2.609) 6.200 5.393 ( -4.063 -0.000 -3.331) 5.254 5.505 ( 2.313 0.000 5.421) 5.894 6.033 ( 13.081 0.000 -2.125) 13.253 6.119 ( -3.356 -0.000 -4.403) 5.536 6.640 ( 1.380 0.000 -3.372) 3.644 7.522 ( 0.971 0.000 -2.569) 2.746 7.599 ( 5.914 0.000 1.776) 6.175 7.755 ( 7.846 0.000 12.313) 14.600 8.271 ( -3.004 -0.000 -4.592) 5.487 8.973 ( -7.437 -0.000 7.683) 10.693 9.188 ( 4.059 0.000 1.834) 4.454 9.783 ( -3.203 -0.000 -11.650) 12.083 10.153 ( 2.975 0.000 9.404) 9.864 10.177 ( 3.366 0.000 2.079) 3.956 10.524 ( 2.687 0.000 -18.970) 19.159 10.836 ( 2.404 0.000 -8.848) 9.169 10.918 ( -0.666 -0.000 -1.830) 1.947 11.227 ( 3.040 0.000 0.202) 3.047 12.041 ( -3.953 -0.000 -7.803) 8.747 12.338 ( -6.237 -0.000 3.887) 7.349 14.149 ( -3.728 -0.000 12.507) 13.051 14.413 ( -2.759 -0.000 14.059) 14.327 ======================= Grid point 303 (152/275) ======================= q-point: (-0.33 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 1.188 -0.864 7.620) 7.760 2.464 ( 2.620 1.732 3.669) 4.830 2.530 ( -0.080 5.752 10.517) 11.988 2.613 ( 5.489 -2.149 3.649) 6.933 2.964 ( -6.841 -0.222 -0.596) 6.870 3.144 ( 5.938 -0.901 9.711) 11.418 3.585 ( 0.872 -3.718 13.139) 13.683 3.904 ( 0.673 12.355 11.220) 16.703 4.206 ( 1.442 -10.092 -3.192) 10.683 4.657 ( -11.799 -0.386 -2.221) 12.013 5.052 ( -0.884 1.776 -2.588) 3.261 5.332 ( -2.586 -0.575 -3.501) 4.391 5.546 ( 2.685 0.566 0.022) 2.744 6.097 ( 1.951 -0.768 -4.261) 4.749 6.298 ( 14.604 -5.550 -2.206) 15.778 6.684 ( 6.696 2.144 -2.920) 7.614 7.478 ( -1.503 4.282 -3.569) 5.773 7.735 ( 6.597 -1.714 2.694) 7.329 7.904 ( 3.693 -0.808 14.035) 14.535 8.192 ( -2.475 1.625 -4.797) 5.637 8.834 ( -7.414 3.840 5.960) 10.259 9.260 ( 3.365 -0.161 0.964) 3.504 9.664 ( -6.722 1.622 -5.457) 8.809 10.199 ( -5.663 -2.408 -1.863) 6.430 10.260 ( 8.758 0.643 -1.319) 8.880 10.531 ( 4.502 -3.682 -11.216) 12.634 10.816 ( 3.590 6.910 -4.940) 9.221 10.985 ( 2.466 -5.849 -1.201) 6.460 11.317 ( 9.012 0.362 -3.434) 9.651 11.950 ( -2.778 2.798 -6.109) 7.271 12.244 ( -8.547 -3.223 2.846) 9.568 14.107 ( -3.819 2.323 13.380) 14.107 14.413 ( -3.434 -2.314 14.018) 14.617 ======================= Grid point 304 (153/275) ======================= q-point: (-0.22 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -9.366 -2.944 7.529) 12.373 2.450 ( -0.325 7.703 5.127) 9.259 2.532 ( -2.224 -3.065 6.117) 7.195 2.715 ( 8.492 4.039 4.718) 10.521 2.896 ( -1.795 1.095 2.014) 2.912 3.328 ( 11.465 -0.514 8.085) 14.038 3.671 ( 0.809 -2.551 16.450) 16.666 3.830 ( 1.830 10.584 12.897) 16.784 4.286 ( -4.132 -5.518 -4.555) 8.262 4.452 ( -11.870 -4.077 -0.465) 12.559 4.980 ( -4.823 1.115 -0.600) 4.986 5.283 ( -2.814 0.322 -4.157) 5.031 5.590 ( 4.330 0.299 -7.276) 8.472 6.162 ( 5.729 -1.123 -4.478) 7.358 6.576 ( 10.448 -7.666 -2.116) 13.130 6.798 ( 11.325 2.661 -2.210) 11.841 7.367 ( -4.826 4.535 -3.410) 7.449 7.758 ( -3.754 8.440 2.323) 9.525 7.949 ( 2.178 0.744 7.647) 7.986 8.208 ( 1.812 -3.548 4.607) 6.091 8.721 ( -4.087 1.475 2.301) 4.917 9.269 ( 0.421 5.587 -0.304) 5.611 9.565 ( -3.273 -3.167 -0.877) 4.638 9.999 ( -14.133 1.310 -11.903) 18.524 10.425 ( 7.548 -4.834 -5.008) 10.267 10.661 ( 5.365 -2.256 1.000) 5.905 10.816 ( 4.822 4.288 1.094) 6.545 11.088 ( 5.733 -4.607 -4.816) 8.791 11.466 ( 11.570 3.028 -5.593) 13.202 11.873 ( -0.548 2.744 -4.634) 5.413 12.149 ( -9.638 -6.388 -0.335) 11.567 14.058 ( -2.312 3.914 14.612) 15.303 14.424 ( -3.447 -3.141 13.767) 14.536 ======================= Grid point 305 (154/275) ======================= q-point: (-0.11 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -10.733 -6.458 7.751) 14.730 2.353 ( -2.654 8.370 2.096) 9.028 2.497 ( -5.407 -2.124 7.691) 9.638 2.837 ( 9.347 5.511 5.669) 12.242 2.863 ( 0.646 5.210 2.412) 5.777 3.497 ( 5.111 1.963 9.417) 10.892 3.754 ( 4.016 2.850 16.574) 17.291 3.829 ( 3.836 2.618 10.720) 11.683 4.090 ( -20.001 -4.308 5.175) 21.105 4.474 ( 3.167 -6.556 -5.544) 9.152 4.884 ( -5.541 0.340 -0.234) 5.556 5.217 ( -2.222 1.443 -5.425) 6.037 5.626 ( 3.054 0.510 -9.998) 10.466 6.270 ( 8.261 0.390 -5.651) 10.016 6.770 ( 6.618 -3.452 -0.697) 7.496 6.939 ( 6.357 2.490 -3.003) 7.459 7.261 ( -1.696 -2.123 -2.106) 3.438 7.528 ( -8.470 12.474 -0.200) 15.079 7.983 ( 0.546 3.322 7.877) 8.566 8.268 ( -0.462 -0.967 7.572) 7.647 8.664 ( -4.190 -1.811 -0.727) 4.622 9.202 ( 1.730 5.814 -1.151) 6.174 9.617 ( 0.561 -7.711 -0.112) 7.732 9.705 ( -15.808 0.865 -9.105) 18.264 10.552 ( 2.344 -5.597 -3.729) 7.122 10.715 ( 4.439 5.295 -0.166) 6.911 10.843 ( 0.291 1.290 4.003) 4.215 11.237 ( 2.927 -6.829 -7.758) 10.741 11.598 ( 14.775 5.993 -2.627) 16.160 11.851 ( 0.388 1.724 -3.171) 3.630 12.097 ( -4.295 -9.114 -6.623) 12.057 14.033 ( -0.509 3.857 15.620) 16.098 14.437 ( -2.798 -1.808 13.337) 13.747 ======================= Grid point 312 (155/275) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -9.589 -0.000 10.610) 14.301 2.461 ( -6.281 -0.000 2.183) 6.650 2.559 ( -0.285 -0.000 10.983) 10.987 2.764 ( 9.190 0.000 4.312) 10.152 2.922 ( 1.060 0.000 0.068) 1.062 3.321 ( 12.093 0.000 12.163) 17.152 3.621 ( 1.979 0.000 11.331) 11.503 4.026 ( 1.153 0.000 9.169) 9.241 4.163 ( 1.932 0.000 -4.319) 4.731 4.411 ( -16.804 -0.000 1.083) 16.839 4.997 ( -5.921 -0.000 -1.663) 6.150 5.277 ( -2.691 -0.000 -2.838) 3.911 5.592 ( 3.448 0.000 -5.500) 6.491 6.146 ( 6.473 0.000 -6.452) 9.139 6.482 ( 12.046 0.000 -2.031) 12.216 6.839 ( 11.032 0.000 -3.011) 11.436 7.427 ( -6.048 -0.000 -3.327) 6.902 7.857 ( 6.023 0.000 6.323) 8.733 7.952 ( -2.656 -0.000 8.768) 9.161 8.154 ( -0.958 -0.000 0.638) 1.151 8.739 ( -6.554 -0.000 2.059) 6.870 9.312 ( 2.722 0.000 1.381) 3.052 9.574 ( -5.056 -0.000 -0.416) 5.073 10.007 ( -13.449 -0.000 -15.594) 20.593 10.365 ( 5.051 0.000 -2.191) 5.506 10.614 ( 9.442 0.000 1.637) 9.583 10.934 ( 5.546 0.000 -10.158) 11.573 10.974 ( 1.864 0.000 4.658) 5.017 11.502 ( 14.913 0.000 -6.908) 16.435 11.916 ( -1.500 -0.000 -5.429) 5.633 12.066 ( -11.655 -0.000 2.201) 11.861 14.116 ( -1.316 -0.000 14.341) 14.401 14.377 ( -3.698 -0.000 13.897) 14.381 ======================= Grid point 313 (156/275) ======================= q-point: (-0.22 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -13.122 -1.331 11.645) 17.594 2.339 ( -12.079 -3.806 5.789) 13.925 2.582 ( 3.042 4.748 8.624) 10.303 2.906 ( 8.151 1.616 4.174) 9.299 2.961 ( 4.797 2.522 0.161) 5.422 3.529 ( 7.916 0.860 12.147) 14.524 3.708 ( 3.316 -2.320 11.484) 12.176 4.004 ( -8.461 4.794 5.137) 10.998 4.053 ( -8.537 3.278 7.862) 12.060 4.323 ( 3.134 -6.662 -4.060) 8.407 4.886 ( -6.309 0.016 -0.206) 6.313 5.224 ( -3.026 -0.268 -3.691) 4.780 5.625 ( 2.765 -0.312 -9.959) 10.340 6.264 ( 9.692 -0.335 -6.962) 11.938 6.675 ( 9.729 -3.315 -1.640) 10.408 7.003 ( 10.907 2.117 -3.265) 11.580 7.279 ( -9.360 1.699 -2.162) 9.755 7.786 ( -6.648 11.134 0.511) 12.977 7.978 ( -0.296 -3.922 8.883) 9.715 8.186 ( -1.000 -4.637 7.880) 9.197 8.658 ( -3.651 0.573 -1.791) 4.107 9.334 ( 0.973 3.973 2.103) 4.599 9.522 ( -0.318 -0.668 1.887) 2.027 9.716 ( -16.023 -0.171 -15.942) 22.603 10.435 ( 1.696 -3.767 -2.182) 4.672 10.757 ( 5.431 -0.571 2.033) 5.828 10.927 ( 2.491 6.220 -1.086) 6.787 11.081 ( 2.869 -7.153 -3.554) 8.486 11.727 ( 14.106 5.279 -5.700) 16.104 11.874 ( -0.935 0.213 -3.617) 3.741 11.924 ( -5.886 -6.072 -3.384) 9.109 14.133 ( 1.070 4.115 14.966) 15.559 14.376 ( -2.665 -2.978 13.232) 13.823 ======================= Grid point 314 (157/275) ======================= q-point: (-0.11 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -12.652 -5.416 12.277) 18.443 2.175 ( -15.468 -4.199 5.907) 17.082 2.609 ( 5.671 7.578 8.525) 12.739 2.966 ( 4.487 5.617 1.603) 7.366 3.055 ( 8.063 3.396 2.797) 9.185 3.587 ( -1.361 3.381 9.276) 9.966 3.698 ( -22.207 -4.348 10.303) 24.864 3.833 ( 4.100 -2.365 13.890) 14.675 4.022 ( 3.473 9.450 8.163) 12.962 4.469 ( 5.777 -7.038 -4.487) 10.151 4.823 ( -0.793 -0.077 -0.094) 0.802 5.171 ( -2.324 -0.274 -4.395) 4.979 5.631 ( 0.987 -0.316 -11.439) 11.486 6.414 ( 10.686 1.158 -6.609) 12.618 6.818 ( 2.278 -0.651 -1.180) 2.647 7.043 ( -0.743 5.024 -2.319) 5.583 7.210 ( 3.425 -5.419 -1.926) 6.694 7.523 ( -8.405 12.623 -1.287) 15.220 8.001 ( -3.451 -0.610 10.383) 10.959 8.233 ( -2.906 -6.090 6.262) 9.206 8.563 ( -5.796 2.223 -2.294) 6.618 9.276 ( -2.885 4.960 -4.682) 7.406 9.445 ( -8.889 0.206 -8.015) 11.971 9.598 ( 2.877 -4.022 5.051) 7.069 10.485 ( -1.524 -6.260 -1.447) 6.603 10.805 ( 1.288 0.991 -1.674) 2.333 10.886 ( -0.252 5.621 2.949) 6.353 11.143 ( -2.722 -5.661 -6.042) 8.716 11.700 ( -6.492 -1.203 -3.028) 7.264 11.878 ( 1.521 -1.159 -2.808) 3.398 12.108 ( 18.325 -1.482 -8.946) 20.446 14.138 ( 1.513 6.070 14.952) 16.208 14.421 ( -0.312 -2.836 12.281) 12.608 ======================= Grid point 322 (158/275) ======================= q-point: (-0.22 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -14.436 -0.000 14.687) 20.594 2.113 ( -15.354 -0.000 7.849) 17.244 2.709 ( 6.129 0.000 8.247) 10.275 3.051 ( 4.710 0.000 -0.873) 4.790 3.057 ( 7.825 0.000 4.027) 8.800 3.627 ( -0.515 -0.000 11.143) 11.154 3.652 ( -23.569 -0.000 10.141) 25.658 3.804 ( 4.577 0.000 13.563) 14.315 4.185 ( 3.491 0.000 4.564) 5.746 4.343 ( 5.924 0.000 -3.088) 6.680 4.819 ( -0.688 -0.000 0.291) 0.747 5.165 ( -2.689 -0.000 -3.743) 4.609 5.622 ( 0.896 0.000 -12.209) 12.242 6.425 ( 12.406 0.000 -7.109) 14.298 6.808 ( 8.959 0.000 -1.417) 9.070 7.092 ( -13.563 -0.000 -0.035) 13.563 7.168 ( 8.797 0.000 -3.828) 9.594 7.741 ( -8.272 -0.000 -5.528) 9.949 7.909 ( -5.117 -0.000 9.713) 10.979 8.143 ( -4.159 -0.000 10.590) 11.377 8.610 ( -3.086 -0.000 -2.523) 3.986 9.358 ( -7.191 -0.000 -3.716) 8.094 9.442 ( -6.492 -0.000 -8.706) 10.860 9.553 ( 3.767 0.000 4.492) 5.862 10.404 ( -2.301 -0.000 -1.215) 2.603 10.808 ( 1.060 0.000 0.650) 1.244 10.997 ( 0.070 0.000 -5.894) 5.894 11.034 ( -1.413 -0.000 1.817) 2.301 11.679 ( -9.563 -0.000 -3.160) 10.071 11.864 ( -0.153 -0.000 -3.711) 3.714 12.097 ( 21.574 0.000 -7.896) 22.974 14.242 ( 3.447 0.000 14.815) 15.211 14.355 ( -1.060 -0.000 11.512) 11.561 ======================= Grid point 323 (159/275) ======================= q-point: (-0.11 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -12.953 -3.382 16.417) 21.183 1.876 ( -18.539 -2.913 7.821) 20.331 2.795 ( 3.987 4.651 7.164) 9.426 3.109 ( 5.117 3.263 6.839) 9.144 3.175 ( 3.042 0.823 3.015) 4.362 3.351 ( -16.035 -2.078 14.980) 22.042 3.593 ( -4.463 0.938 6.892) 8.265 3.932 ( 6.289 -0.972 8.699) 10.778 4.155 ( -2.196 7.646 8.587) 11.706 4.484 ( 6.948 -5.271 -2.456) 9.061 4.871 ( 5.895 0.014 -0.311) 5.903 5.127 ( -0.893 -0.469 -3.266) 3.419 5.594 ( -0.656 -0.801 -12.835) 12.876 6.609 ( 12.770 2.285 -6.144) 14.354 6.790 ( -11.566 7.354 1.071) 13.748 7.010 ( 3.719 -8.096 -0.863) 8.951 7.266 ( 4.771 0.742 -3.440) 5.929 7.511 ( -8.165 10.199 -4.539) 13.830 7.897 ( -6.461 -8.125 7.751) 12.955 8.093 ( -7.580 -4.371 6.044) 10.634 8.517 ( -4.964 3.977 -0.226) 6.365 9.114 ( -11.931 1.995 -14.499) 18.883 9.444 ( 2.102 0.945 6.329) 6.736 9.667 ( 7.357 -1.104 4.098) 8.493 10.367 ( -4.594 -5.007 -0.865) 6.850 10.805 ( -0.820 0.602 -1.338) 1.680 10.926 ( -3.304 4.490 1.752) 5.844 11.014 ( -4.661 -4.367 -3.263) 7.172 11.561 ( -4.901 -1.367 -6.265) 8.071 11.847 ( -1.676 -1.716 -3.265) 4.052 12.404 ( 18.160 0.631 -7.707) 19.738 14.283 ( 2.724 7.041 12.960) 14.998 14.428 ( 2.040 -4.289 10.157) 11.213 ======================= Grid point 332 (160/275) ======================= q-point: (-0.11 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -11.140 -0.000 19.825) 22.741 1.571 ( -19.088 -0.000 10.056) 21.574 2.777 ( -10.953 -0.000 17.074) 20.286 3.173 ( -3.100 -0.000 14.261) 14.594 3.235 ( 0.018 0.000 -2.057) 2.057 3.307 ( 8.118 0.000 8.512) 11.762 3.535 ( -3.479 -0.000 5.592) 6.586 4.058 ( 8.006 0.000 4.924) 9.399 4.153 ( -5.357 -0.000 10.682) 11.950 4.598 ( 10.390 0.000 -1.061) 10.444 4.969 ( 5.341 0.000 -1.248) 5.485 5.123 ( 1.573 0.000 -1.926) 2.487 5.532 ( -1.955 -0.000 -12.751) 12.900 6.578 ( -15.002 -0.000 1.409) 15.068 6.865 ( 12.818 0.000 -3.015) 13.167 7.027 ( 4.288 0.000 -1.427) 4.520 7.319 ( 1.652 0.000 -2.106) 2.676 7.412 ( -8.774 -0.000 -9.910) 13.236 7.735 ( -7.395 -0.000 6.905) 10.118 7.933 ( -11.478 -0.000 5.779) 12.850 8.466 ( -3.573 -0.000 0.432) 3.599 8.929 ( -7.237 -0.000 -14.750) 16.430 9.519 ( 3.833 0.000 12.500) 13.074 9.814 ( 9.792 0.000 2.343) 10.068 10.255 ( -4.634 -0.000 -0.420) 4.653 10.791 ( -1.715 -0.000 -1.398) 2.212 10.865 ( -7.309 -0.000 0.804) 7.353 10.914 ( -3.269 -0.000 0.962) 3.408 11.489 ( -1.339 -0.000 -7.861) 7.975 11.779 ( -4.209 -0.000 -3.319) 5.360 12.631 ( 11.583 0.000 -7.546) 13.824 14.422 ( 2.151 0.000 13.967) 14.131 14.445 ( 2.828 0.000 3.603) 4.581 ======================= Grid point 333 (161/275) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 8.898 0.000 16.516) 18.761 1.785 ( -4.341 -0.000 22.479) 22.894 2.818 ( -6.215 -0.000 -6.392) 8.916 2.937 ( -5.157 -0.000 -5.846) 7.795 3.206 ( -4.071 -0.000 14.808) 15.358 3.423 ( -1.454 -0.000 -9.344) 9.457 3.872 ( -1.678 -0.000 18.211) 18.288 4.390 ( -3.189 -0.000 14.422) 14.771 4.438 ( 9.630 0.000 -3.178) 10.140 4.834 ( -2.848 -0.000 -9.038) 9.476 5.002 ( 7.861 0.000 5.857) 9.803 5.160 ( -0.520 -0.000 -0.506) 0.726 5.309 ( -3.144 -0.000 1.469) 3.470 6.213 ( -7.049 -0.000 -0.267) 7.054 6.963 ( -2.799 -0.000 -6.114) 6.724 7.032 ( -3.314 -0.000 1.398) 3.597 7.068 ( 0.204 0.000 1.866) 1.877 7.334 ( 1.116 0.000 -1.848) 2.158 7.607 ( -8.540 -0.000 4.995) 9.894 7.836 ( 4.942 0.000 1.534) 5.174 8.469 ( 5.414 0.000 -2.509) 5.967 8.532 ( 4.450 0.000 -11.998) 12.797 10.095 ( 9.556 0.000 9.582) 13.532 10.142 ( 4.307 0.000 -0.065) 4.308 10.222 ( 5.086 0.000 1.235) 5.233 10.612 ( -8.092 -0.000 -1.565) 8.242 10.757 ( -5.706 -0.000 4.926) 7.539 10.874 ( -3.007 -0.000 3.174) 4.372 11.283 ( -0.115 -0.000 -6.939) 6.940 11.546 ( -0.252 -0.000 -4.738) 4.744 12.647 ( 0.730 0.000 -5.231) 5.282 14.428 ( -2.877 -0.000 -0.261) 2.889 14.754 ( -0.835 -0.000 10.314) 10.348 ======================= Grid point 334 (162/275) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -2.104 -1.826 21.788) 21.965 2.002 ( 17.385 -2.079 15.635) 23.474 2.675 ( -7.701 0.937 -9.399) 12.187 2.838 ( -4.811 0.734 -4.946) 6.939 3.219 ( 0.262 -0.176 13.119) 13.123 3.325 ( -3.706 4.798 -4.599) 7.610 3.878 ( -5.890 -3.191 18.050) 19.253 4.359 ( -3.237 2.790 14.503) 15.119 4.563 ( 6.060 0.370 -6.479) 8.879 4.773 ( -0.430 1.511 -7.583) 7.744 5.071 ( -1.244 -0.659 3.504) 3.776 5.137 ( -1.386 -0.925 -2.385) 2.910 5.233 ( -6.996 -0.156 2.981) 7.607 6.149 ( -1.480 -0.039 3.562) 3.857 6.823 ( -4.413 7.868 -4.907) 10.270 6.950 ( 4.388 9.534 0.196) 10.497 7.162 ( 0.093 -8.009 1.437) 8.137 7.352 ( -2.373 -4.435 -3.143) 5.931 7.549 ( -4.907 -7.477 5.639) 10.573 8.003 ( 9.786 -5.036 0.090) 11.007 8.543 ( 7.930 3.772 -3.090) 9.309 8.640 ( 9.795 -2.130 -9.261) 13.647 10.125 ( 2.099 5.830 0.887) 6.259 10.298 ( 5.472 -5.457 6.387) 10.026 10.349 ( 5.226 4.248 -2.247) 7.100 10.467 ( -4.926 -3.046 -0.552) 5.819 10.659 ( -4.024 3.454 3.605) 6.412 10.848 ( -3.864 -3.367 4.634) 6.910 11.264 ( -0.171 -0.600 -6.916) 6.944 11.576 ( 4.256 -0.572 -3.732) 5.689 12.611 ( -2.617 1.262 -5.031) 5.810 14.362 ( -3.826 2.013 2.578) 5.033 14.760 ( -2.438 -0.900 10.013) 10.345 ======================= Grid point 335 (163/275) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 0.560 -5.428 18.446) 19.237 2.353 ( 15.098 -4.304 14.089) 21.094 2.514 ( -7.567 0.260 -9.406) 12.075 2.740 ( -3.587 2.304 -4.584) 6.260 3.144 ( -3.124 8.832 -4.786) 10.520 3.347 ( 4.753 -2.642 15.346) 16.281 3.845 ( -8.067 -3.572 16.499) 18.710 4.297 ( -4.690 3.814 12.898) 14.244 4.567 ( -0.740 3.716 -4.415) 5.818 4.747 ( 1.324 2.901 -3.500) 4.735 5.019 ( -6.738 -3.186 -1.064) 7.529 5.112 ( -8.492 -1.265 2.801) 9.031 5.163 ( 4.181 -1.604 -7.736) 8.938 6.166 ( -1.547 -3.347 8.761) 9.505 6.683 ( 1.363 8.672 -7.694) 11.673 6.953 ( 6.223 7.944 -0.289) 10.095 7.224 ( -4.161 -8.277 0.627) 9.285 7.343 ( -0.649 -1.764 -2.171) 2.872 7.631 ( 0.911 -9.604 5.252) 10.984 8.202 ( 6.226 -6.216 0.158) 8.800 8.630 ( 7.276 2.745 -0.518) 7.794 8.817 ( 11.669 -1.373 -8.252) 14.358 10.050 ( -5.020 6.153 -1.820) 8.147 10.190 ( -7.970 5.551 -3.136) 10.206 10.387 ( -0.984 -2.353 5.694) 6.239 10.600 ( 7.005 0.170 -0.160) 7.009 10.693 ( 13.579 -1.793 0.923) 13.728 10.843 ( -3.257 -4.130 6.387) 8.274 11.251 ( -0.782 -1.594 -7.138) 7.356 11.654 ( 5.616 0.109 -3.438) 6.586 12.508 ( -5.897 2.631 -5.203) 8.292 14.290 ( -2.996 2.527 6.077) 7.231 14.745 ( -3.952 -1.171 9.876) 10.702 ======================= Grid point 336 (164/275) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 2.688 -8.678 12.876) 15.758 2.379 ( -6.626 -1.787 -5.577) 8.843 2.625 ( 4.416 -1.571 5.800) 7.457 2.664 ( 2.551 0.921 4.312) 5.094 3.000 ( -4.652 3.595 -0.049) 5.880 3.513 ( 8.105 1.495 9.942) 12.914 3.807 ( -5.560 -5.335 13.609) 15.640 4.191 ( -6.277 4.311 7.521) 10.703 4.467 ( -2.490 6.584 -1.805) 7.267 4.710 ( -1.930 4.436 5.034) 6.982 4.929 ( -7.913 -2.809 -0.370) 8.405 5.032 ( -4.832 -5.022 -1.081) 7.053 5.258 ( 7.559 -2.281 -13.291) 15.460 6.190 ( -3.179 -3.766 7.048) 8.600 6.662 ( 7.551 5.163 -6.394) 11.161 6.948 ( 2.170 5.921 -0.241) 6.311 7.218 ( -8.707 -11.792 -2.253) 14.830 7.368 ( 4.619 3.769 0.446) 5.979 7.785 ( 2.914 -9.577 5.323) 11.337 8.327 ( 2.153 -3.947 1.983) 4.914 8.713 ( 4.472 0.121 1.551) 4.735 8.968 ( 8.058 0.183 -7.150) 10.774 9.823 ( -12.703 4.474 -4.599) 14.232 10.012 ( -3.435 10.094 -1.226) 10.733 10.435 ( 3.394 -2.157 2.808) 4.905 10.683 ( 2.866 -0.618 2.831) 4.075 10.850 ( -2.780 -5.980 5.801) 8.783 11.030 ( 22.091 0.948 -2.838) 22.293 11.236 ( -0.609 -2.760 -6.016) 6.647 11.725 ( 4.206 0.256 -3.560) 5.516 12.335 ( -8.952 4.126 -6.236) 11.664 14.253 ( -1.010 1.969 8.888) 9.159 14.713 ( -4.718 -1.237 9.872) 11.012 ======================= Grid point 337 (165/275) ======================= q-point: (-0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 0.279 -8.806 4.489) 9.888 2.306 ( -2.843 0.501 1.102) 3.089 2.574 ( -0.843 3.684 3.070) 4.869 2.844 ( 5.709 -6.516 8.519) 12.149 2.929 ( -3.878 -1.805 6.580) 7.848 3.550 ( -3.879 -0.693 3.129) 5.032 3.906 ( 5.493 -4.443 9.344) 11.714 4.043 ( -7.617 4.268 1.202) 8.813 4.373 ( -0.194 5.844 3.313) 6.720 4.617 ( -3.868 6.554 10.618) 13.064 4.847 ( -6.468 -4.085 0.810) 7.693 5.037 ( -0.743 -4.225 -4.272) 6.054 5.364 ( 6.565 -1.541 -13.149) 14.777 6.199 ( 0.138 -2.195 0.558) 2.269 6.758 ( 7.696 -0.622 -2.746) 8.195 6.898 ( -1.404 3.896 -0.529) 4.175 7.198 ( -7.625 -10.707 -2.983) 13.479 7.397 ( 4.338 5.093 1.215) 6.800 7.940 ( 1.683 -8.765 5.389) 10.426 8.380 ( -0.948 -3.279 4.665) 5.780 8.740 ( -1.404 2.765 1.312) 3.368 9.048 ( 4.584 -0.445 -6.027) 7.586 9.566 ( -11.464 3.377 -3.624) 12.489 9.861 ( -0.535 10.441 -0.642) 10.474 10.536 ( 4.771 -1.561 0.528) 5.047 10.722 ( 0.039 -1.419 4.126) 4.363 10.890 ( -1.223 -3.794 6.467) 7.597 11.140 ( -1.416 0.951 -9.766) 9.913 11.472 ( 22.606 -2.045 -0.976) 22.719 11.754 ( -0.086 -0.816 -3.588) 3.680 12.111 ( -8.446 6.066 -8.372) 13.350 14.261 ( 0.349 0.511 10.294) 10.313 14.679 ( -3.845 -1.021 9.746) 10.527 ======================= Grid point 338 (166/275) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -7.002 1.631 1.376) 7.320 2.258 ( -4.941 1.618 6.714) 8.491 2.601 ( 2.716 -4.358 3.862) 6.426 2.956 ( 0.176 -5.198 10.183) 11.434 3.027 ( 5.297 -6.048 6.796) 10.527 3.495 ( -4.689 -4.851 -4.037) 7.863 3.860 ( -8.628 4.047 -0.262) 9.534 4.059 ( 2.790 -5.149 9.103) 10.824 4.348 ( -0.074 4.190 13.189) 13.839 4.539 ( 1.963 7.005 3.115) 7.914 4.816 ( -2.991 -3.691 2.906) 5.569 5.058 ( 0.451 -2.012 -4.720) 5.150 5.418 ( 3.206 0.487 -10.633) 11.116 6.266 ( 5.050 -3.397 -3.493) 7.018 6.816 ( -4.244 1.025 -1.738) 4.699 6.885 ( 4.280 -3.272 -0.910) 5.463 7.192 ( -4.223 -7.827 -3.163) 9.439 7.402 ( 3.140 5.779 1.120) 6.672 8.046 ( -1.755 -8.051 5.483) 9.897 8.404 ( -2.664 -3.888 6.627) 8.132 8.605 ( -6.513 8.765 -1.288) 10.996 9.058 ( -4.089 0.831 -7.501) 8.583 9.415 ( -1.472 0.485 1.428) 2.108 9.782 ( 2.304 6.593 0.784) 7.028 10.582 ( 0.540 2.321 0.413) 2.418 10.759 ( 0.719 -2.268 2.823) 3.692 10.915 ( -2.762 -3.450 7.129) 8.388 11.058 ( -3.186 1.360 -9.081) 9.720 11.642 ( -8.811 -1.013 -3.424) 9.507 11.865 ( 12.436 1.363 -1.623) 12.615 11.961 ( 7.884 3.948 -10.978) 14.080 14.300 ( 0.129 -1.746 9.779) 9.935 14.668 ( -1.316 -0.108 9.440) 9.532 ======================= Grid point 339 (167/275) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -10.360 4.500 5.984) 12.782 2.111 ( -10.160 5.108 9.647) 14.912 2.741 ( 4.337 -7.383 2.464) 8.910 3.081 ( 2.026 -9.121 5.036) 10.614 3.139 ( -1.102 -4.608 2.023) 5.152 3.528 ( 5.109 -3.444 -2.021) 6.485 3.678 ( -9.514 3.829 5.983) 11.873 4.159 ( -1.063 -5.762 9.979) 11.572 4.342 ( -0.239 2.370 16.623) 16.793 4.543 ( 6.013 5.367 -2.064) 8.320 4.847 ( 1.368 -3.009 1.078) 3.477 5.073 ( 1.471 -0.229 -2.958) 3.312 5.409 ( 1.024 2.235 -8.609) 8.954 6.410 ( 6.142 -7.508 -3.546) 10.329 6.712 ( -6.470 1.255 -1.355) 6.729 6.960 ( -1.749 -7.510 -2.229) 8.027 7.219 ( 2.024 -1.706 -3.519) 4.403 7.387 ( 2.480 5.551 0.668) 6.116 8.075 ( -6.739 -6.486 6.562) 11.425 8.338 ( -6.544 12.053 1.110) 13.759 8.444 ( -3.720 -3.246 1.096) 5.057 8.864 ( -11.220 3.846 -8.000) 14.306 9.500 ( 6.865 -2.731 4.219) 8.508 9.796 ( 4.235 2.089 3.025) 5.608 10.515 ( -2.916 6.143 1.097) 6.888 10.776 ( -1.533 -0.442 0.598) 1.703 10.909 ( -6.769 -6.124 4.191) 10.044 10.987 ( 0.203 2.495 -3.892) 4.627 11.469 ( -9.208 -0.123 -5.508) 10.730 11.828 ( -0.490 5.344 -6.973) 8.799 12.242 ( 17.819 -1.404 -5.251) 18.630 14.352 ( -0.309 -3.931 7.172) 8.185 14.686 ( 0.944 1.238 9.225) 9.355 ======================= Grid point 340 (168/275) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -11.476 3.321 8.763) 14.816 1.929 ( -8.523 5.084 16.448) 19.211 2.869 ( 1.220 -5.774 0.142) 5.903 3.116 ( -5.027 -2.673 -4.022) 6.971 3.221 ( 0.394 -11.730 -2.918) 12.093 3.500 ( -8.988 3.544 9.337) 13.436 3.696 ( 11.212 2.650 9.502) 14.934 4.207 ( -0.863 -2.930 9.678) 10.148 4.378 ( -0.873 -1.541 13.154) 13.272 4.623 ( 10.328 2.709 0.433) 10.686 4.899 ( 0.523 -2.764 -3.116) 4.198 5.103 ( 2.909 0.255 -0.909) 3.058 5.372 ( 0.674 2.984 -5.981) 6.718 6.527 ( -11.450 -8.620 0.023) 14.332 6.642 ( 6.195 -3.881 -2.544) 7.741 6.994 ( -3.282 -8.536 -3.667) 9.853 7.247 ( 4.628 6.413 -3.194) 8.529 7.372 ( 1.819 4.177 -0.068) 4.556 7.992 ( -9.471 0.381 5.978) 11.206 8.075 ( -8.787 11.434 0.378) 14.425 8.435 ( -2.834 -2.172 0.866) 3.674 8.641 ( -8.128 1.266 -10.289) 13.173 9.677 ( 8.429 -3.596 7.205) 11.657 9.883 ( 6.154 -0.605 3.534) 7.122 10.381 ( -3.859 7.995 1.391) 8.986 10.740 ( -2.218 0.079 -1.146) 2.498 10.860 ( -7.167 -5.666 1.809) 9.313 10.972 ( -0.405 1.858 2.173) 2.888 11.348 ( -3.944 -0.256 -6.340) 7.471 11.728 ( -3.129 4.177 -6.722) 8.510 12.480 ( 11.242 -1.384 -5.247) 12.483 14.409 ( -0.288 -4.637 3.180) 5.630 14.714 ( 1.403 2.033 9.453) 9.771 ======================= Grid point 341 (169/275) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -4.310 1.737 13.893) 14.649 1.823 ( -6.026 2.236 20.541) 21.523 2.894 ( -3.101 -2.650 -2.837) 4.968 3.035 ( -5.488 -1.032 -5.933) 8.148 3.265 ( -5.900 -1.476 7.068) 9.325 3.421 ( -1.419 -4.583 -2.384) 5.357 3.830 ( 5.538 4.873 15.187) 16.884 4.286 ( 5.016 -2.654 5.201) 7.698 4.400 ( -1.764 -0.450 11.995) 12.132 4.810 ( 12.672 0.212 3.819) 13.237 4.894 ( -2.478 -1.929 -7.091) 7.756 5.146 ( 2.610 0.585 -0.433) 2.710 5.341 ( -0.279 1.611 -1.662) 2.332 6.364 ( -12.304 -2.279 -0.212) 12.515 6.843 ( 2.730 -15.555 -1.844) 15.900 7.025 ( -2.021 -6.361 -3.102) 7.360 7.189 ( 1.034 12.119 -1.539) 12.260 7.348 ( 1.887 5.249 -0.846) 5.641 7.794 ( -7.428 11.168 2.880) 13.718 7.866 ( -8.913 -0.270 4.200) 9.856 8.415 ( -0.109 -1.295 -1.548) 2.021 8.540 ( -1.002 -0.238 -11.918) 11.962 9.884 ( 9.251 -3.954 9.357) 13.739 10.016 ( 7.722 -1.229 2.293) 8.148 10.253 ( -1.874 6.692 1.557) 7.122 10.701 ( -3.076 -0.622 -2.207) 3.837 10.815 ( -6.526 -4.557 4.741) 9.265 10.929 ( -2.209 3.044 2.808) 4.694 11.302 ( -0.697 -0.573 -6.765) 6.824 11.613 ( -3.913 2.438 -5.988) 7.557 12.610 ( 5.171 -0.939 -5.329) 7.484 14.446 ( -1.135 -3.002 -0.179) 3.214 14.736 ( 0.542 1.475 10.136) 10.257 ======================= Grid point 343 (170/275) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -0.503 -0.000 22.244) 22.250 2.296 ( 12.696 0.000 14.832) 19.524 2.520 ( -7.393 -0.000 -10.605) 12.928 2.758 ( -4.139 -0.000 -2.048) 4.618 3.269 ( -4.529 -0.000 -8.705) 9.813 3.318 ( 8.238 0.000 15.339) 17.411 3.786 ( -9.077 -0.000 17.977) 20.138 4.344 ( -4.838 -0.000 12.888) 13.766 4.605 ( 0.460 0.000 -4.847) 4.869 4.783 ( 2.854 0.000 -5.905) 6.558 4.963 ( -8.625 -0.000 -1.520) 8.758 5.102 ( -10.317 -0.000 4.742) 11.355 5.160 ( 4.690 0.000 -5.805) 7.463 6.127 ( -3.068 -0.000 8.102) 8.664 6.799 ( -0.112 -0.000 -6.825) 6.826 7.065 ( -2.786 -0.000 1.329) 3.087 7.174 ( 9.332 0.000 -1.021) 9.387 7.232 ( -6.932 -0.000 -2.293) 7.301 7.513 ( 2.966 0.000 5.399) 6.160 8.141 ( 9.508 0.000 -0.009) 9.508 8.673 ( 5.454 0.000 -0.388) 5.468 8.800 ( 13.610 0.000 -9.094) 16.368 10.177 ( 0.641 0.000 -2.857) 2.928 10.189 ( -15.306 -0.000 1.577) 15.387 10.365 ( 1.786 0.000 2.977) 3.472 10.600 ( 12.193 0.000 -3.055) 12.570 10.667 ( 1.912 0.000 5.010) 5.362 10.801 ( 1.557 0.000 6.381) 6.569 11.229 ( -1.082 -0.000 -7.538) 7.615 11.657 ( 5.941 0.000 -2.554) 6.467 12.538 ( -5.501 -0.000 -6.148) 8.250 14.325 ( -2.914 -0.000 4.977) 5.767 14.728 ( -4.239 -0.000 10.076) 10.931 ======================= Grid point 344 (171/275) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 2.016 -2.589 19.563) 19.836 2.333 ( -7.903 -1.813 -3.295) 8.752 2.536 ( 5.786 -2.575 9.585) 11.489 2.707 ( -1.291 0.500 0.638) 1.524 3.135 ( -5.240 6.082 -5.638) 9.810 3.536 ( 10.232 0.623 10.982) 15.023 3.697 ( -7.077 -4.035 14.364) 16.513 4.265 ( -7.126 2.132 8.317) 11.158 4.568 ( -1.634 2.191 -1.935) 3.349 4.783 ( -4.518 2.642 0.089) 5.235 4.857 ( -3.229 -3.250 -1.363) 4.780 4.950 ( -8.638 -1.889 3.017) 9.343 5.245 ( 8.461 0.143 -11.900) 14.602 6.106 ( -3.559 -2.570 8.222) 9.320 6.795 ( 5.015 4.854 -6.424) 9.486 7.005 ( -7.177 -4.685 -0.196) 8.573 7.085 ( -4.692 4.468 -0.584) 6.506 7.348 ( 5.679 -4.499 -0.673) 7.277 7.629 ( 5.799 -4.085 5.569) 9.019 8.286 ( 7.481 -0.132 0.587) 7.505 8.729 ( 2.501 0.761 0.559) 2.674 8.983 ( 10.766 0.578 -7.212) 12.971 9.910 ( -15.018 3.316 -1.166) 15.424 10.168 ( -0.707 2.055 -3.955) 4.513 10.391 ( 1.349 0.481 5.830) 6.003 10.650 ( -2.716 -2.858 2.206) 4.517 10.758 ( 4.536 -1.584 4.268) 6.426 11.039 ( 22.589 0.008 -0.060) 22.589 11.191 ( -1.941 -1.191 -7.617) 7.950 11.729 ( 3.213 0.107 -2.023) 3.799 12.400 ( -7.779 1.674 -8.202) 11.428 14.304 ( -0.438 1.903 7.861) 8.100 14.678 ( -5.831 -1.346 10.045) 11.692 ======================= Grid point 345 (172/275) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 2.954 -4.396 12.789) 13.842 2.253 ( -3.556 -3.744 -0.679) 5.209 2.679 ( 2.497 -6.599 11.492) 13.485 2.702 ( 1.574 3.764 4.507) 6.080 2.962 ( -5.766 5.892 -0.390) 8.254 3.512 ( -10.453 -3.077 5.492) 12.203 3.847 ( 10.007 -1.243 9.164) 13.626 4.114 ( -9.731 2.333 1.094) 10.066 4.506 ( -0.891 5.451 1.482) 5.719 4.678 ( -6.559 -2.580 3.486) 7.863 4.767 ( -8.737 -0.678 7.230) 11.361 4.967 ( 4.046 -2.014 -3.810) 5.911 5.355 ( 8.983 0.361 -12.828) 15.665 6.116 ( -1.432 -4.135 3.232) 5.440 6.813 ( 3.883 4.235 -3.684) 6.826 6.947 ( -7.450 -8.953 -2.134) 11.841 6.981 ( -3.616 2.458 1.161) 4.524 7.451 ( 3.529 -1.110 -0.160) 3.703 7.792 ( 5.329 -5.204 7.134) 10.314 8.368 ( 3.248 2.361 1.948) 4.463 8.756 ( 0.696 -0.622 1.201) 1.521 9.076 ( 4.740 1.997 -6.740) 8.478 9.646 ( -11.713 3.962 -1.001) 12.405 10.084 ( -1.069 8.272 -3.029) 8.874 10.453 ( 1.926 -3.751 4.271) 6.002 10.654 ( -2.847 -5.296 4.232) 7.352 10.853 ( 4.528 0.233 3.886) 5.972 11.135 ( -2.859 -0.928 -9.914) 10.360 11.446 ( 25.159 -0.601 -0.568) 25.172 11.732 ( -3.138 -1.012 -1.901) 3.806 12.223 ( -6.425 3.906 -10.821) 13.177 14.308 ( 1.091 3.242 9.979) 10.549 14.632 ( -5.530 -2.944 10.052) 11.844 ======================= Grid point 346 (173/275) ======================= q-point: (-0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -1.306 -3.238 3.529) 4.964 2.307 ( 2.616 -2.413 5.731) 6.746 2.642 ( -1.104 9.473 4.075) 10.371 2.812 ( -1.035 -8.345 10.021) 13.082 2.902 ( 0.117 -3.571 9.653) 10.293 3.399 ( -7.435 -4.329 -1.756) 8.781 3.922 ( -10.338 0.758 -1.269) 10.443 3.991 ( 3.023 -0.815 5.892) 6.672 4.441 ( -2.321 3.876 9.112) 10.170 4.647 ( -0.764 2.013 6.004) 6.378 4.696 ( -4.067 -5.766 1.078) 7.138 5.041 ( 4.899 0.599 -3.198) 5.881 5.440 ( 5.882 1.466 -9.289) 11.092 6.169 ( 2.072 -4.759 -3.077) 6.035 6.782 ( -7.083 -5.545 -1.362) 9.098 6.897 ( -2.301 3.116 -0.599) 3.919 6.992 ( 1.472 -6.240 -0.566) 6.436 7.496 ( 2.254 0.906 0.181) 2.436 7.932 ( 2.734 -3.843 8.885) 10.059 8.361 ( -0.846 2.232 2.707) 3.609 8.740 ( -2.726 2.997 0.637) 4.101 9.072 ( -1.080 0.631 -6.868) 6.981 9.471 ( -3.041 4.450 1.147) 5.511 9.963 ( -0.749 9.166 -1.747) 9.361 10.527 ( -1.238 -6.245 2.442) 6.819 10.695 ( 0.082 -3.922 4.377) 5.878 10.902 ( 0.955 1.948 3.476) 4.097 11.066 ( -2.890 -0.597 -9.074) 9.542 11.610 ( -10.150 -1.721 -3.278) 10.804 11.858 ( 21.551 -0.941 -1.423) 21.618 12.079 ( -0.742 5.399 -12.244) 13.402 14.312 ( 0.000 2.719 10.289) 10.642 14.629 ( -2.356 -3.406 10.242) 11.048 ======================= Grid point 347 (174/275) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -6.383 1.763 3.457) 7.470 2.283 ( -3.387 10.176 7.842) 13.286 2.614 ( 2.461 -2.874 2.311) 4.434 2.887 ( -3.105 -8.116 8.399) 12.085 2.989 ( -2.747 -8.782 5.044) 10.494 3.428 ( 5.957 -5.499 -0.198) 8.110 3.757 ( -7.603 2.159 1.398) 8.026 4.037 ( -1.797 -3.796 7.777) 8.839 4.394 ( -3.669 1.339 13.814) 14.355 4.641 ( 2.747 2.983 2.491) 4.759 4.749 ( 1.364 -5.784 -1.810) 6.212 5.093 ( 4.601 2.579 -2.446) 5.813 5.461 ( 2.187 2.581 -5.977) 6.868 6.257 ( 2.495 -5.783 -5.473) 8.344 6.702 ( -11.989 -7.859 0.707) 14.353 6.845 ( -0.069 0.999 -3.225) 3.377 7.100 ( 3.371 -5.639 -0.276) 6.575 7.518 ( 3.288 2.823 -0.030) 4.334 7.990 ( -2.275 -1.105 9.181) 9.523 8.335 ( -2.269 -1.493 3.255) 4.239 8.607 ( -4.436 8.759 -2.430) 10.115 8.967 ( -7.007 4.522 -4.142) 9.311 9.479 ( 6.626 1.316 2.255) 7.121 9.876 ( 0.619 5.399 0.044) 5.434 10.552 ( -3.166 -4.001 1.165) 5.233 10.742 ( -0.763 -2.860 2.658) 3.979 10.847 ( -5.335 1.603 1.121) 5.682 11.025 ( -0.096 0.847 -4.389) 4.471 11.439 ( -10.391 -2.309 -5.526) 11.993 11.958 ( -0.275 6.173 -8.645) 10.626 12.209 ( 17.010 -1.525 -4.619) 17.692 14.312 ( -0.759 0.354 8.719) 8.759 14.674 ( 0.308 -2.263 10.318) 10.568 ======================= Grid point 348 (175/275) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -10.247 6.081 7.658) 14.164 2.102 ( -5.972 11.380 11.123) 16.997 2.725 ( 1.954 -6.669 1.656) 7.144 2.927 ( -4.439 -11.347 -2.679) 12.476 3.047 ( -1.542 -7.483 -2.722) 8.110 3.581 ( -3.107 1.341 6.273) 7.128 3.701 ( 9.253 -0.132 11.406) 14.688 4.079 ( -2.834 -7.023 9.781) 12.370 4.374 ( -1.962 -0.115 11.596) 11.761 4.692 ( 7.215 2.879 0.636) 7.795 4.822 ( 0.727 -4.722 -3.076) 5.682 5.124 ( 3.604 2.738 -1.054) 4.648 5.440 ( 0.993 3.009 -4.582) 5.571 6.324 ( -2.239 -7.115 -2.977) 8.031 6.581 ( -11.420 -6.695 1.351) 13.307 6.853 ( 1.023 -2.595 -6.140) 6.744 7.205 ( 1.544 -5.763 0.084) 5.967 7.546 ( 6.531 6.841 -0.874) 9.499 7.935 ( -7.674 -0.935 7.190) 10.557 8.323 ( -4.746 -0.491 4.870) 6.818 8.439 ( 0.587 10.564 -5.997) 12.162 8.751 ( -8.285 8.787 -3.205) 12.495 9.626 ( 9.635 -0.959 3.999) 10.476 9.877 ( 3.191 0.513 1.255) 3.468 10.512 ( -3.776 1.401 -0.001) 4.028 10.732 ( -4.265 -0.420 2.456) 4.939 10.745 ( -6.261 -3.138 -0.366) 7.013 11.011 ( 0.671 1.353 -0.970) 1.795 11.321 ( -5.410 -2.206 -5.726) 8.181 11.846 ( -2.421 6.227 -8.455) 10.776 12.441 ( 10.460 -2.041 -4.158) 11.440 14.331 ( -0.416 -1.983 6.082) 6.411 14.728 ( 0.773 -0.821 9.981) 10.044 ======================= Grid point 349 (176/275) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -4.952 5.010 12.851) 14.655 1.936 ( -4.939 8.742 15.327) 18.323 2.786 ( -2.579 -6.454 -3.561) 7.809 2.981 ( -2.158 -5.707 -4.636) 7.662 3.088 ( -1.428 -10.430 -7.377) 12.854 3.464 ( -5.972 6.260 13.025) 15.637 3.903 ( 5.731 0.409 15.727) 16.744 4.164 ( 1.049 -7.806 9.685) 12.483 4.397 ( 1.431 -0.429 6.165) 6.344 4.813 ( 6.241 -1.578 -3.121) 7.154 4.848 ( 1.935 -0.387 0.877) 2.159 5.157 ( 2.977 0.910 -0.305) 3.128 5.401 ( -0.489 3.456 -3.150) 4.701 6.281 ( -9.798 -4.355 1.334) 10.804 6.561 ( -2.359 -11.387 -1.556) 11.733 6.883 ( -1.143 -5.437 -5.301) 7.679 7.261 ( -1.097 -3.405 0.874) 3.683 7.546 ( 4.600 11.639 -1.021) 12.556 7.850 ( -5.217 -1.628 3.967) 6.753 8.141 ( -5.132 15.097 0.547) 15.955 8.415 ( 1.655 2.958 -0.571) 3.437 8.556 ( -2.454 4.088 -7.912) 9.237 9.812 ( 9.066 -1.958 6.749) 11.471 9.972 ( 6.749 -2.449 0.361) 7.189 10.415 ( -2.701 5.472 0.275) 6.108 10.658 ( -7.224 -3.377 5.099) 9.465 10.709 ( -3.437 -3.481 -2.411) 5.454 10.998 ( -0.265 2.761 1.414) 3.114 11.272 ( -1.807 -2.168 -5.725) 6.382 11.707 ( -3.633 5.843 -7.511) 10.186 12.573 ( 4.550 -2.293 -4.269) 6.647 14.365 ( -0.959 -3.412 3.411) 4.919 14.764 ( 0.067 0.433 9.657) 9.667 ======================= Grid point 350 (177/275) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 6.729 2.388 16.312) 17.806 1.845 ( -1.800 5.535 18.866) 19.743 2.772 ( -4.748 -4.214 -7.126) 9.544 2.927 ( -4.986 -0.753 -6.700) 8.386 3.179 ( -0.772 -8.188 -0.968) 8.281 3.357 ( -4.636 1.987 10.202) 11.381 3.940 ( -2.579 3.201 16.747) 17.244 4.300 ( 0.524 -6.228 12.706) 14.160 4.464 ( 6.352 0.511 -1.819) 6.627 4.801 ( -2.940 -2.536 -7.055) 8.053 4.994 ( 7.424 -0.779 5.609) 9.337 5.179 ( 0.487 1.161 -1.031) 1.627 5.329 ( -3.768 2.432 -0.289) 4.494 6.182 ( -5.844 -2.221 1.520) 6.434 6.699 ( 2.278 -13.642 -2.665) 14.085 6.897 ( -4.691 -7.524 -2.171) 9.128 7.241 ( -1.764 3.322 1.775) 4.159 7.450 ( -0.735 8.763 -1.586) 8.936 7.748 ( -8.184 7.132 4.508) 11.755 7.965 ( 6.195 13.721 -0.956) 15.085 8.416 ( 3.296 -1.453 -2.303) 4.275 8.557 ( 5.894 0.986 -9.531) 11.250 9.988 ( 6.099 -4.610 5.456) 9.393 10.139 ( 10.195 -2.089 0.482) 10.417 10.333 ( 0.592 6.105 1.218) 6.254 10.586 ( -7.628 -2.198 4.541) 9.145 10.686 ( -4.659 -4.752 -0.773) 6.700 10.939 ( -2.673 4.613 3.130) 6.182 11.271 ( 0.624 -1.448 -6.118) 6.318 11.588 ( -1.369 3.845 -5.908) 7.181 12.624 ( 0.409 -2.058 -4.525) 4.988 14.381 ( -2.657 -3.425 1.944) 4.751 14.773 ( -1.040 1.119 9.755) 9.874 ======================= Grid point 353 (178/275) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 4.104 0.000 18.393) 18.846 2.202 ( -5.512 -0.000 -1.234) 5.648 2.601 ( 1.507 0.000 10.536) 10.644 2.729 ( 2.799 0.000 5.700) 6.350 3.076 ( -4.664 -0.000 -5.026) 6.856 3.454 ( -13.096 -0.000 8.084) 15.390 3.837 ( 11.391 0.000 8.812) 14.402 4.140 ( -11.397 -0.000 1.469) 11.492 4.567 ( 0.818 0.000 -1.055) 1.335 4.630 ( -9.881 -0.000 -3.032) 10.336 4.766 ( -9.824 -0.000 13.831) 16.965 4.949 ( 6.940 0.000 -2.753) 7.466 5.362 ( 9.486 0.000 -12.319) 15.548 6.067 ( -1.166 -0.000 3.950) 4.119 6.810 ( -11.617 -0.000 -1.231) 11.682 6.906 ( 6.808 0.000 -2.946) 7.418 7.011 ( -6.590 -0.000 -0.278) 6.596 7.423 ( 5.049 0.000 0.899) 5.128 7.726 ( 5.938 0.000 6.242) 8.616 8.413 ( 6.676 0.000 2.305) 7.063 8.744 ( -0.504 -0.000 0.089) 0.512 9.102 ( 4.745 0.000 -7.016) 8.470 9.702 ( -11.491 -0.000 0.923) 11.528 10.154 ( -0.874 -0.000 -5.288) 5.360 10.466 ( 4.261 0.000 5.787) 7.187 10.542 ( -6.843 -0.000 4.755) 8.333 10.861 ( 6.185 0.000 3.194) 6.961 11.122 ( -2.855 -0.000 -9.615) 10.030 11.440 ( 25.709 0.000 -0.834) 25.723 11.720 ( -4.445 -0.000 -1.238) 4.614 12.266 ( -5.821 -0.000 -11.637) 13.012 14.356 ( 2.409 0.000 9.687) 9.982 14.588 ( -7.236 -0.000 10.249) 12.546 ======================= Grid point 354 (179/275) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 2.313 1.813 9.604) 10.044 2.195 ( 2.192 -5.924 6.804) 9.284 2.658 ( -0.116 -3.809 9.308) 10.058 2.816 ( 4.345 0.522 11.862) 12.644 2.943 ( -4.937 8.713 -1.563) 10.136 3.294 ( -10.437 -5.141 1.440) 11.724 3.924 ( -12.187 0.247 -3.366) 12.646 3.981 ( 2.452 -0.762 4.895) 5.527 4.470 ( -9.036 -1.219 1.526) 9.245 4.609 ( 3.663 0.162 -3.061) 4.776 4.677 ( -5.410 -0.301 13.263) 14.327 5.064 ( 7.650 0.926 -0.079) 7.706 5.470 ( 7.206 0.942 -8.250) 10.994 6.093 ( 2.876 -1.902 -2.720) 4.392 6.631 ( -13.527 -5.277 -0.897) 14.547 6.905 ( -5.798 -0.497 -0.601) 5.851 7.008 ( 7.768 2.782 -0.114) 8.252 7.489 ( 2.288 -0.402 2.003) 3.068 7.835 ( 2.283 -3.727 8.226) 9.315 8.475 ( 2.776 5.281 3.834) 7.092 8.746 ( 0.158 -1.379 -0.437) 1.455 9.087 ( -2.800 0.516 -7.867) 8.367 9.574 ( -1.955 3.792 2.197) 4.799 10.105 ( -2.317 2.386 -4.928) 5.945 10.434 ( -4.357 -0.004 5.046) 6.666 10.589 ( 2.094 -5.138 5.029) 7.488 10.951 ( 4.081 1.748 2.646) 5.169 11.045 ( -3.535 -0.977 -9.675) 10.347 11.580 ( -11.752 -0.868 -2.844) 12.123 11.842 ( 22.976 -0.441 -1.583) 23.034 12.163 ( -1.657 2.115 -12.932) 13.208 14.400 ( 0.983 4.732 10.676) 11.719 14.535 ( -4.119 -4.785 10.514) 12.264 ======================= Grid point 355 (180/275) ======================= q-point: (-0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -0.078 2.305 5.823) 6.263 2.354 ( 5.138 -4.349 7.124) 9.801 2.723 ( -1.298 -4.333 8.572) 9.692 2.745 ( -5.017 10.053 0.952) 11.275 2.847 ( -6.097 -1.693 9.818) 11.681 3.293 ( 2.918 -7.446 1.814) 8.200 3.750 ( -7.147 -1.729 -4.695) 8.725 4.004 ( -1.964 -0.579 5.506) 5.874 4.371 ( -7.380 -3.235 6.194) 10.164 4.644 ( -0.115 -1.061 7.807) 7.880 4.684 ( 3.518 -0.221 -3.085) 4.684 5.166 ( 7.257 3.272 1.216) 8.053 5.515 ( 2.474 2.258 -3.767) 5.041 6.170 ( 4.505 -2.380 -7.272) 8.879 6.483 ( -14.358 -9.631 -0.344) 17.293 6.835 ( -4.569 -2.711 -1.464) 5.510 7.096 ( 7.702 4.508 0.877) 8.967 7.526 ( 1.531 -0.524 2.612) 3.072 7.911 ( -2.990 -6.215 10.162) 12.282 8.425 ( -0.690 7.551 3.199) 8.230 8.736 ( -0.400 3.521 -2.188) 4.164 9.019 ( -2.115 0.371 -4.509) 4.994 9.560 ( 5.441 5.321 1.527) 7.762 10.002 ( -3.552 4.912 -2.538) 6.572 10.415 ( -3.933 -6.122 2.943) 7.849 10.669 ( -0.111 -3.728 3.688) 5.245 10.907 ( -4.336 2.610 -5.538) 7.502 11.031 ( 1.043 -0.012 -0.622) 1.215 11.386 ( -11.327 -2.205 -5.245) 12.676 12.072 ( 0.079 4.091 -10.402) 11.177 12.179 ( 15.905 -1.223 -3.829) 16.406 14.359 ( -1.986 3.656 9.822) 10.667 14.599 ( 0.659 -4.349 11.128) 11.965 ======================= Grid point 356 (181/275) ======================= q-point: (-0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( -6.157 6.465 7.283) 11.522 2.389 ( -1.146 11.643 6.738) 13.501 2.626 ( -0.154 -0.417 2.831) 2.866 2.720 ( -6.920 -6.950 1.143) 9.874 2.852 ( -1.188 -9.450 -0.870) 9.564 3.486 ( 4.589 -8.255 7.435) 12.020 3.724 ( 3.758 0.159 4.272) 5.692 3.983 ( -3.424 -1.574 7.905) 8.757 4.329 ( -4.936 -4.190 7.642) 10.016 4.710 ( 3.065 -3.237 4.267) 6.171 4.735 ( 3.899 -0.050 -5.413) 6.671 5.227 ( 5.493 5.839 2.060) 8.277 5.498 ( 0.131 2.371 -2.174) 3.219 6.228 ( 1.543 -2.405 -6.188) 6.816 6.364 ( -14.287 -11.187 0.386) 18.150 6.802 ( -3.596 -4.138 -3.778) 6.658 7.162 ( 5.505 3.390 0.349) 6.475 7.586 ( 4.185 -1.403 2.288) 4.972 7.917 ( -6.550 -4.075 9.536) 12.266 8.329 ( -3.451 4.257 2.257) 5.927 8.674 ( 3.522 9.685 -4.833) 11.383 8.945 ( -2.780 7.138 0.475) 7.675 9.644 ( 9.788 2.873 1.071) 10.257 9.908 ( -1.654 2.061 -1.161) 2.887 10.424 ( -5.011 -6.675 1.587) 8.496 10.679 ( -3.602 -3.111 0.835) 4.832 10.783 ( -5.408 2.880 -3.442) 7.028 11.028 ( -0.525 0.338 -0.806) 1.019 11.265 ( -5.152 -2.565 -4.671) 7.412 11.974 ( -2.034 5.204 -10.679) 12.053 12.398 ( 9.556 -1.826 -2.593) 10.068 14.330 ( -1.083 1.638 8.143) 8.376 14.683 ( 0.789 -3.149 11.026) 11.494 ======================= Grid point 357 (182/275) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -5.657 7.519 10.967) 14.450 2.204 ( -3.147 15.616 8.942) 18.268 2.649 ( -2.905 -5.883 -0.541) 6.584 2.780 ( 2.715 -9.787 -6.119) 11.858 2.912 ( -2.893 -7.676 -5.475) 9.863 3.559 ( -3.148 -0.573 8.622) 9.196 3.869 ( 4.211 -1.182 18.687) 19.192 4.011 ( 1.633 -5.426 9.850) 11.363 4.348 ( 0.028 -4.444 2.853) 5.281 4.751 ( -0.649 -3.166 -6.949) 7.664 4.849 ( 8.149 -0.535 3.034) 8.712 5.231 ( 2.797 6.148 2.334) 7.146 5.468 ( -0.106 2.537 -2.091) 3.289 6.214 ( -6.784 -2.328 0.669) 7.204 6.311 ( -4.222 -11.395 -2.370) 12.381 6.773 ( -5.306 -5.651 -5.237) 9.355 7.207 ( 2.942 0.831 -0.250) 3.067 7.705 ( 7.891 -0.641 0.867) 7.965 7.835 ( -6.758 2.311 5.502) 9.016 8.251 ( -4.712 -0.199 3.101) 5.644 8.620 ( 7.312 13.240 -7.163) 16.735 8.773 ( -4.250 13.471 2.091) 14.280 9.796 ( 8.779 0.270 3.004) 9.282 9.923 ( 4.920 -1.983 -2.203) 5.743 10.392 ( -7.366 -5.638 1.854) 9.459 10.644 ( -5.124 -3.087 0.635) 6.016 10.667 ( -3.291 3.038 -2.355) 5.060 11.025 ( 0.497 -0.517 -0.936) 1.179 11.224 ( -2.189 -1.754 -3.209) 4.262 11.841 ( -3.226 6.132 -9.560) 11.807 12.519 ( 3.616 -2.531 -2.475) 5.060 14.325 ( -1.065 -0.068 6.265) 6.355 14.746 ( -0.094 -2.055 10.527) 10.726 ======================= Grid point 358 (183/275) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 6.238 5.128 14.000) 16.162 2.037 ( -1.396 12.581 12.259) 17.622 2.663 ( -2.221 -5.323 -6.202) 8.469 2.885 ( -5.291 -4.049 -9.487) 11.593 2.927 ( 2.243 -11.237 -4.261) 12.226 3.485 ( -5.071 5.998 13.911) 15.975 3.931 ( -3.838 -3.357 19.186) 19.852 4.167 ( 2.746 -5.736 14.446) 15.784 4.435 ( 4.827 -3.442 -3.579) 6.925 4.739 ( -2.354 -2.890 -6.351) 7.364 4.979 ( 5.502 -0.705 2.521) 6.093 5.216 ( 0.976 3.253 1.517) 3.720 5.409 ( -2.510 4.318 -2.076) 5.409 6.146 ( -3.155 -1.220 4.148) 5.352 6.428 ( 3.560 -11.704 -3.429) 12.705 6.730 ( -6.699 -7.876 -4.302) 11.199 7.240 ( 1.290 -0.569 0.048) 1.411 7.675 ( -3.746 10.487 0.554) 11.150 7.827 ( 1.998 0.160 2.758) 3.409 8.190 ( -0.059 2.812 1.102) 3.021 8.563 ( -0.235 15.322 1.879) 15.439 8.619 ( 7.779 7.150 -9.091) 13.939 9.911 ( 3.495 -3.302 1.729) 5.110 10.090 ( 11.428 -1.939 -1.430) 11.679 10.344 ( -5.701 -5.202 2.944) 8.261 10.577 ( -4.890 0.263 6.471) 8.115 10.607 ( -2.590 -0.884 -6.071) 6.659 11.027 ( -0.359 2.602 1.797) 3.183 11.219 ( 0.473 -2.833 -4.450) 5.296 11.700 ( -2.592 6.088 -7.986) 10.371 12.567 ( -0.389 -3.014 -2.699) 4.065 14.322 ( -2.420 -1.477 5.053) 5.794 14.778 ( -1.176 -0.840 10.048) 10.152 ======================= Grid point 359 (184/275) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 0.877 8.004 15.946) 17.864 2.071 ( 16.376 4.051 14.129) 22.005 2.635 ( -4.919 -2.513 -7.926) 9.661 2.801 ( -5.683 -3.239 -9.092) 11.200 3.061 ( 0.863 -10.418 -3.695) 11.087 3.372 ( -4.394 6.441 15.930) 17.736 3.927 ( -5.464 -0.208 17.900) 18.717 4.269 ( -1.872 -4.786 15.144) 15.992 4.528 ( 2.956 -3.215 -5.911) 7.349 4.723 ( -0.744 -2.695 -5.795) 6.434 5.052 ( 1.204 -1.963 1.517) 2.757 5.185 ( -1.838 2.211 -0.748) 2.971 5.280 ( -6.038 5.145 -1.208) 8.024 6.161 ( 2.046 1.214 6.065) 6.515 6.602 ( 1.038 -10.209 -5.418) 11.604 6.756 ( 2.529 -9.676 -2.048) 10.209 7.264 ( 1.242 0.415 1.533) 2.017 7.486 ( -5.558 9.314 -2.406) 11.110 7.752 ( -3.649 9.068 5.499) 11.215 8.203 ( 6.060 8.972 -0.984) 10.871 8.493 ( 5.897 2.487 -0.469) 6.417 8.690 ( 10.087 3.575 -8.702) 13.793 10.002 ( 1.252 -5.823 -0.622) 5.988 10.239 ( -0.715 -4.640 -1.108) 4.823 10.371 ( 5.120 -0.671 2.593) 5.778 10.513 ( -2.710 -0.275 1.500) 3.109 10.588 ( 1.059 -0.293 1.560) 1.908 10.953 ( -3.620 5.563 4.148) 7.827 11.263 ( 2.063 -1.440 -5.974) 6.482 11.614 ( 1.526 3.262 -5.707) 6.749 12.562 ( -3.224 -3.078 -3.473) 5.651 14.306 ( -3.611 -2.356 4.994) 6.597 14.779 ( -2.391 0.333 9.843) 10.135 ======================= Grid point 363 (185/275) ======================= q-point: ( 0.33 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 2.362 0.000 5.358) 5.855 2.249 ( 5.572 0.000 11.727) 12.983 2.652 ( -0.470 -0.000 4.838) 4.860 2.789 ( -10.281 -0.000 9.811) 14.211 3.064 ( 7.844 0.000 6.991) 10.507 3.093 ( -8.305 -0.000 -0.930) 8.357 3.726 ( -6.933 -0.000 -8.309) 10.821 3.992 ( -2.482 -0.000 6.133) 6.616 4.323 ( -7.641 -0.000 1.577) 7.802 4.648 ( -1.831 -0.000 12.717) 12.848 4.675 ( 4.501 0.000 -5.650) 7.224 5.205 ( 8.055 0.000 3.050) 8.613 5.543 ( 2.624 0.000 -3.116) 4.074 6.147 ( 5.929 0.000 -8.064) 10.009 6.367 ( -14.831 -0.000 0.012) 14.831 6.799 ( -5.724 -0.000 -2.262) 6.155 7.166 ( 8.821 0.000 2.985) 9.312 7.521 ( 0.873 0.000 3.654) 3.757 7.821 ( -3.874 -0.000 8.616) 9.447 8.527 ( -3.005 -0.000 5.468) 6.239 8.771 ( 4.771 0.000 -2.231) 5.267 9.015 ( -1.741 -0.000 -6.146) 6.387 9.638 ( 5.143 0.000 1.861) 5.469 10.045 ( -4.718 -0.000 -4.830) 6.752 10.355 ( -5.353 -0.000 4.510) 7.000 10.615 ( 1.119 0.000 4.046) 4.198 10.937 ( -5.017 -0.000 -10.458) 11.600 11.030 ( 2.277 0.000 3.444) 4.129 11.360 ( -11.712 -0.000 -5.039) 12.750 12.122 ( -0.944 -0.000 -13.029) 13.064 12.161 ( 16.635 0.000 -1.558) 16.707 14.427 ( -5.011 -0.000 10.272) 11.429 14.524 ( 3.340 0.000 11.352) 11.833 ======================= Grid point 365 (186/275) ======================= q-point: (-0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 0.196 7.244 6.701) 9.871 2.387 ( 2.256 -7.047 5.601) 9.280 2.613 ( -10.551 -0.664 8.787) 13.747 2.682 ( -0.624 -4.415 0.931) 4.555 2.885 ( -3.143 14.433 -1.215) 14.821 3.272 ( 3.045 -10.887 6.362) 12.972 3.712 ( 6.291 -0.454 -1.165) 6.414 3.955 ( -4.622 -1.529 7.794) 9.190 4.239 ( -5.371 -2.637 3.350) 6.858 4.680 ( 2.642 0.310 6.193) 6.741 4.727 ( 3.594 -0.737 -5.164) 6.335 5.328 ( 7.282 2.756 4.998) 9.253 5.540 ( -1.080 1.286 -0.966) 1.937 6.160 ( -12.762 -4.934 -0.059) 13.683 6.211 ( 2.184 -1.032 -8.226) 8.573 6.718 ( -4.875 -2.403 -3.633) 6.537 7.283 ( 7.218 5.254 3.130) 9.460 7.552 ( 1.909 -1.031 4.393) 4.899 7.782 ( -6.625 -5.706 8.422) 12.140 8.433 ( -6.192 3.230 2.427) 7.394 8.845 ( 7.824 5.333 -2.472) 9.786 9.022 ( 2.625 0.610 -0.396) 2.724 9.731 ( 8.585 3.783 0.152) 9.382 9.936 ( -6.540 -0.008 -3.472) 7.405 10.309 ( -3.610 -2.856 2.803) 5.389 10.613 ( -4.113 -2.307 2.108) 5.166 10.822 ( -5.003 0.826 -9.090) 10.408 11.031 ( -2.996 0.017 0.920) 3.134 11.226 ( -3.425 -0.933 -3.415) 4.926 12.055 ( -1.855 2.047 -12.550) 12.851 12.369 ( 8.969 -0.789 -1.061) 9.066 14.380 ( -2.258 2.125 9.547) 10.038 14.613 ( 1.610 -2.524 11.335) 11.724 ======================= Grid point 366 (187/275) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -5.791 9.264 8.140) 13.624 2.463 ( -1.281 -3.115 0.434) 3.396 2.559 ( -1.250 1.132 7.030) 7.229 2.689 ( -1.442 5.767 3.487) 6.891 2.760 ( 2.120 -3.585 -10.522) 11.316 3.416 ( -1.379 -10.256 5.795) 11.861 3.877 ( 9.240 -0.044 12.403) 15.467 3.932 ( -3.672 -2.481 10.162) 11.086 4.226 ( -1.789 -5.314 2.006) 5.955 4.714 ( 1.208 0.357 -5.092) 5.245 4.822 ( 7.061 -2.026 0.126) 7.347 5.383 ( 2.971 6.831 5.186) 9.077 5.507 ( 0.004 0.957 0.340) 1.015 6.050 ( -9.451 -9.107 -0.274) 13.128 6.211 ( -0.661 -0.978 -4.755) 4.899 6.660 ( -5.554 -3.842 -5.027) 8.419 7.304 ( 3.706 6.926 0.837) 7.900 7.637 ( 3.772 -2.983 3.559) 5.983 7.797 ( -1.937 -6.478 8.136) 10.579 8.300 ( -5.289 4.077 -0.062) 6.679 8.892 ( 9.123 10.710 -3.159) 14.419 9.014 ( -0.058 7.716 4.116) 8.746 9.807 ( 0.174 -0.262 -1.494) 1.527 9.895 ( 6.998 -0.029 -3.653) 7.894 10.284 ( -5.303 -3.288 2.867) 6.866 10.561 ( -6.171 -4.144 0.127) 7.434 10.720 ( -3.349 1.420 -6.421) 7.380 10.987 ( -2.295 -2.283 -2.411) 4.036 11.208 ( -0.216 0.091 0.063) 0.243 11.952 ( -2.801 3.838 -11.480) 12.424 12.472 ( 2.773 -1.694 -0.536) 3.294 14.354 ( -1.314 2.187 8.263) 8.648 14.686 ( 0.053 -3.002 11.098) 11.497 ======================= Grid point 367 (188/275) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 4.315 6.649 10.275) 12.977 2.364 ( -1.336 15.717 6.785) 17.171 2.559 ( 0.227 -3.823 -4.167) 5.659 2.709 ( -1.983 -6.409 0.457) 6.724 2.809 ( 2.674 -3.985 -11.734) 12.678 3.480 ( -4.700 -6.969 9.452) 12.649 3.919 ( -2.007 2.478 16.117) 16.429 4.036 ( 1.176 -5.933 16.603) 17.670 4.320 ( 4.312 -6.693 -2.211) 8.263 4.698 ( -0.771 -0.269 -6.603) 6.653 4.951 ( 4.839 -2.175 -2.043) 5.685 5.324 ( -1.491 5.968 3.592) 7.123 5.502 ( 0.802 4.391 0.833) 4.541 6.061 ( -0.415 -8.013 1.237) 8.119 6.235 ( 1.835 -5.383 -1.303) 5.835 6.587 ( -6.771 -4.285 -5.797) 9.891 7.286 ( 2.254 4.884 -0.732) 5.428 7.726 ( 0.490 -4.212 2.112) 4.737 7.882 ( 5.427 2.326 5.151) 7.835 8.190 ( -3.608 0.723 0.496) 3.713 8.856 ( 0.619 13.916 0.105) 13.931 8.912 ( 5.247 13.676 -0.592) 14.660 9.812 ( -2.019 -6.212 -3.049) 7.209 10.066 ( 12.637 -0.289 -4.019) 13.263 10.234 ( -5.106 -3.227 4.294) 7.411 10.506 ( -6.581 -4.523 0.180) 7.987 10.652 ( -1.150 1.919 -3.968) 4.556 11.011 ( 1.570 -3.891 -1.993) 4.645 11.197 ( -0.575 0.993 0.484) 1.245 11.827 ( -2.820 5.252 -9.864) 11.525 12.504 ( -1.321 -2.630 -0.458) 2.978 14.326 ( -2.207 1.686 7.295) 7.806 14.737 ( -1.173 -2.745 10.717) 11.125 ======================= Grid point 368 (189/275) ======================= q-point: (-0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 12.838 6.419 11.455) 18.364 2.221 ( 4.058 12.376 9.105) 15.891 2.581 ( -0.928 -2.338 -6.594) 7.058 2.687 ( -6.859 -6.047 -5.462) 10.651 2.898 ( 4.574 -4.810 -7.047) 9.681 3.461 ( -6.194 -0.957 12.814) 14.265 3.907 ( -2.554 1.199 19.095) 19.302 4.146 ( -1.566 -7.313 13.964) 15.840 4.431 ( 0.748 -5.336 -2.527) 5.952 4.676 ( -0.449 -1.200 -6.053) 6.187 5.004 ( 0.399 -2.464 -2.929) 3.848 5.248 ( -2.274 3.978 1.699) 4.886 5.419 ( -2.927 7.001 -1.682) 7.772 6.173 ( 4.227 -1.567 7.346) 8.619 6.406 ( 8.206 -9.264 -3.812) 12.949 6.538 ( -2.461 -7.749 -5.462) 9.795 7.272 ( 1.200 2.304 -1.091) 2.817 7.700 ( -3.628 7.275 -0.371) 8.138 7.890 ( 0.386 4.867 3.789) 6.180 8.234 ( 5.414 -3.323 2.483) 6.821 8.698 ( -0.784 12.347 3.219) 12.783 8.868 ( 8.282 13.074 -7.694) 17.284 9.845 ( -3.224 -8.893 -3.291) 10.015 10.170 ( -2.197 -1.469 0.216) 2.652 10.296 ( 5.522 -4.724 -3.352) 8.003 10.473 ( 1.014 -2.505 1.891) 3.298 10.625 ( 1.034 1.749 0.855) 2.205 11.052 ( -0.592 2.257 3.182) 3.946 11.206 ( 2.829 -2.570 -4.180) 5.664 11.710 ( -1.061 5.176 -7.884) 9.491 12.489 ( -4.189 -3.427 -1.101) 5.524 14.286 ( -3.306 0.727 7.149) 7.910 14.763 ( -2.248 -1.835 10.316) 10.716 ======================= Grid point 369 (190/275) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 1.871 12.104 11.546) 16.832 2.435 ( 17.388 2.741 9.359) 19.936 2.517 ( -5.662 0.243 -5.455) 7.866 2.644 ( -3.846 -5.537 -5.085) 8.444 2.992 ( 1.598 -4.506 -3.607) 5.989 3.411 ( -1.293 1.842 13.806) 13.988 3.894 ( -4.332 1.611 17.733) 18.325 4.202 ( -4.409 -5.192 12.227) 13.996 4.453 ( -3.098 -6.042 -3.934) 7.847 4.681 ( -0.483 -2.914 -1.894) 3.509 5.019 ( -2.006 -2.390 -1.651) 3.530 5.161 ( -4.014 3.472 -0.838) 5.373 5.281 ( -0.940 7.901 -6.245) 10.115 6.232 ( -0.623 0.985 8.919) 8.995 6.523 ( 4.671 -4.385 -7.591) 9.933 6.757 ( 10.014 -11.028 -1.860) 15.012 7.281 ( 1.180 -1.906 -0.177) 2.249 7.486 ( -7.378 12.185 -2.265) 14.423 7.844 ( 1.063 8.456 5.618) 10.207 8.335 ( 3.180 2.622 2.225) 4.683 8.636 ( 5.245 5.170 1.791) 7.579 8.879 ( 8.486 5.663 -8.489) 13.272 9.880 ( -4.382 -10.216 -3.177) 11.561 10.079 ( -10.435 -3.185 -3.426) 11.435 10.376 ( 1.990 -3.175 0.812) 3.834 10.622 ( 6.650 1.881 1.010) 6.985 10.700 ( 13.943 -1.489 2.743) 14.288 10.969 ( -3.620 6.588 4.892) 8.968 11.267 ( 1.831 -0.698 -6.474) 6.764 11.668 ( 3.352 1.840 -5.535) 6.727 12.434 ( -6.903 -3.927 -2.849) 8.438 14.251 ( -2.993 -0.563 7.795) 8.369 14.757 ( -3.419 -0.437 10.000) 10.577 ======================= Grid point 374 (191/275) ======================= q-point: ( 0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -10.980 -0.000 4.481) 11.859 2.312 ( 3.969 0.000 3.337) 5.185 2.562 ( 0.349 0.000 8.864) 8.871 2.671 ( 2.139 0.000 -4.521) 5.001 2.936 ( -2.028 -0.000 -1.336) 2.429 3.232 ( 0.314 0.000 2.736) 2.754 3.874 ( -6.534 -0.000 11.559) 13.278 3.886 ( 11.869 0.000 7.418) 13.996 4.171 ( -2.475 -0.000 2.861) 3.783 4.746 ( 1.985 0.000 -7.418) 7.679 4.776 ( 6.323 0.000 2.516) 6.805 5.477 ( 6.813 0.000 7.784) 10.345 5.506 ( -3.353 -0.000 -0.209) 3.359 5.942 ( -8.894 -0.000 0.255) 8.898 6.198 ( -1.828 -0.000 -6.923) 7.160 6.620 ( -4.106 -0.000 -5.078) 6.530 7.415 ( 3.445 0.000 1.096) 3.615 7.628 ( 6.977 0.000 7.190) 10.019 7.659 ( -5.450 -0.000 6.752) 8.677 8.353 ( -5.404 -0.000 -0.602) 5.437 9.018 ( 8.674 0.000 0.359) 8.682 9.098 ( 4.814 0.000 2.944) 5.643 9.788 ( -8.856 -0.000 -5.256) 10.298 9.909 ( 10.635 0.000 -2.089) 10.838 10.255 ( -2.455 -0.000 2.636) 3.602 10.503 ( -7.494 -0.000 0.621) 7.520 10.733 ( -3.218 -0.000 -8.804) 9.374 10.958 ( -4.060 -0.000 -2.244) 4.639 11.212 ( 0.746 0.000 1.115) 1.341 11.995 ( -2.599 -0.000 -12.410) 12.679 12.453 ( 2.417 0.000 0.436) 2.456 14.386 ( -1.538 -0.000 9.176) 9.304 14.646 ( 0.263 0.000 11.075) 11.078 ======================= Grid point 376 (192/275) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 0.608 5.068 5.341) 7.388 2.416 ( 3.588 -4.357 -0.498) 5.666 2.601 ( 0.829 0.248 6.912) 6.966 2.692 ( 0.026 0.299 -2.344) 2.363 2.835 ( 1.020 10.140 -6.346) 12.005 3.284 ( -2.777 -8.930 3.861) 10.117 3.838 ( -4.837 -5.658 12.544) 14.587 4.058 ( 4.992 4.253 13.511) 15.019 4.187 ( 2.448 -4.927 2.880) 6.210 4.730 ( 0.249 2.362 -6.924) 7.320 4.888 ( 4.361 -2.929 -3.702) 6.427 5.429 ( -3.766 2.938 1.284) 4.946 5.589 ( 4.822 2.863 8.168) 9.908 5.898 ( 1.158 -4.823 -1.189) 5.101 6.142 ( -3.783 -3.067 -3.182) 5.817 6.551 ( -2.910 -0.085 -6.051) 6.715 7.415 ( 1.517 5.461 -0.823) 5.727 7.642 ( 0.541 -2.712 4.261) 5.080 7.824 ( 9.264 -4.430 9.262) 13.828 8.252 ( -4.930 2.734 -2.904) 6.341 9.106 ( 1.420 5.339 5.469) 7.774 9.133 ( 5.830 8.283 1.549) 10.247 9.668 ( -6.208 -5.627 -7.636) 11.337 10.071 ( 10.941 0.453 -6.371) 12.669 10.220 ( -2.277 1.258 3.626) 4.463 10.404 ( -7.189 -4.095 0.637) 8.298 10.678 ( -0.590 0.673 -7.092) 7.148 10.924 ( -0.390 -2.824 -2.021) 3.494 11.223 ( 0.331 0.866 2.275) 2.457 11.909 ( -2.622 2.078 -11.244) 11.731 12.462 ( -2.010 -1.084 1.284) 2.619 14.373 ( -1.990 1.822 8.669) 9.079 14.679 ( -1.192 -2.032 10.876) 11.129 ======================= Grid point 377 (193/275) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 13.228 3.192 7.390) 15.485 2.486 ( 1.562 2.119 0.711) 2.727 2.575 ( -0.566 7.489 3.091) 8.122 2.625 ( -2.861 1.809 -0.406) 3.409 2.826 ( 5.479 -1.318 -10.977) 12.339 3.332 ( -4.935 -8.536 8.739) 13.175 3.898 ( -2.148 -8.426 10.900) 13.944 4.056 ( -0.791 4.508 13.694) 14.439 4.314 ( 1.616 -5.224 5.011) 7.417 4.681 ( -1.076 1.465 -6.165) 6.427 4.942 ( 0.201 -3.255 -6.880) 7.614 5.339 ( -3.235 3.814 2.090) 5.420 5.573 ( -1.502 6.988 3.142) 7.807 6.074 ( 8.549 -6.111 1.136) 10.570 6.171 ( 1.941 -10.232 -0.899) 10.453 6.504 ( 1.075 1.827 -5.979) 6.344 7.370 ( 1.002 5.897 -1.495) 6.166 7.726 ( 3.711 -2.495 2.824) 5.289 8.012 ( 4.056 3.060 6.108) 7.945 8.152 ( 0.148 -1.699 -0.685) 1.838 8.965 ( -4.803 11.627 5.670) 13.798 9.146 ( 5.834 10.389 -2.197) 12.116 9.648 ( -4.746 -8.307 -5.833) 11.205 10.163 ( -1.115 -0.706 -9.445) 9.537 10.211 ( 1.701 -1.582 -1.049) 2.549 10.400 ( 3.525 -4.242 5.849) 8.040 10.656 ( 1.199 1.505 -3.759) 4.223 11.002 ( 4.145 -4.918 -0.316) 6.439 11.214 ( 0.159 2.017 1.135) 2.320 11.812 ( -1.842 3.754 -9.492) 10.372 12.424 ( -5.193 -2.353 1.144) 5.815 14.330 ( -2.852 2.802 8.559) 9.447 14.707 ( -2.235 -2.950 10.655) 11.280 ======================= Grid point 378 (194/275) ======================= q-point: (-0.22 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 2.578 9.410 7.285) 12.176 2.469 ( 2.169 3.785 0.659) 4.412 2.518 ( 5.998 0.527 4.906) 7.767 2.598 ( 1.264 1.558 -3.900) 4.386 2.922 ( 5.029 -2.810 -5.516) 7.975 3.366 ( -2.493 -5.540 10.576) 12.197 3.955 ( -1.155 0.796 14.463) 14.531 4.061 ( -2.189 -4.662 9.218) 10.559 4.344 ( -4.005 -3.833 0.798) 5.601 4.636 ( -3.415 -1.188 -0.941) 3.736 4.954 ( -0.299 -3.168 -5.959) 6.755 5.250 ( -3.135 4.174 0.255) 5.227 5.455 ( -2.137 7.860 -2.382) 8.487 6.166 ( -1.805 -5.962 2.574) 6.740 6.451 ( 10.869 -10.131 -2.636) 15.091 6.554 ( 10.261 -0.127 -2.940) 10.675 7.310 ( -0.982 4.488 -1.908) 4.974 7.725 ( -3.644 8.550 -1.650) 9.440 7.963 ( 2.200 3.339 4.229) 5.820 8.305 ( 6.508 -3.868 6.057) 9.695 8.799 ( -2.872 8.157 3.319) 9.263 9.087 ( 3.880 12.137 -5.793) 13.998 9.650 ( -5.011 -9.720 -3.117) 11.372 10.033 ( -11.384 -2.134 -9.139) 14.754 10.295 ( 5.438 -3.196 0.296) 6.315 10.625 ( 14.144 -4.621 3.274) 15.236 10.668 ( 3.115 1.747 -0.211) 3.578 11.076 ( -0.298 1.865 4.768) 5.128 11.233 ( 4.685 -0.968 -5.276) 7.122 11.732 ( 0.273 3.599 -7.498) 8.321 12.350 ( -8.153 -3.632 -0.189) 8.927 14.276 ( -2.660 2.687 9.010) 9.771 14.723 ( -3.068 -2.607 10.296) 11.055 ======================= Grid point 379 (195/275) ======================= q-point: (-0.11 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 1.570 11.859 7.130) 13.926 2.379 ( -6.609 -1.678 -2.883) 7.403 2.573 ( -0.875 0.537 -0.656) 1.218 2.735 ( 11.255 2.352 7.068) 13.497 2.977 ( -0.878 -0.288 2.710) 2.863 3.465 ( 6.156 -2.955 7.561) 10.188 3.929 ( -1.925 6.132 14.220) 15.605 4.082 ( -5.537 -6.066 5.332) 9.792 4.330 ( -2.151 -5.199 -2.460) 6.141 4.600 ( -5.253 -5.116 6.515) 9.808 4.948 ( -3.344 -1.073 -1.211) 3.715 5.142 ( -3.588 5.015 -2.328) 6.591 5.357 ( 2.499 6.158 -9.703) 11.761 6.197 ( -1.113 -3.295 1.470) 3.776 6.626 ( 9.351 0.219 -2.105) 9.588 6.805 ( 8.510 -7.217 -1.571) 11.268 7.258 ( -0.891 -1.802 -2.143) 2.938 7.499 ( -6.975 12.244 -1.725) 14.196 7.985 ( 3.396 7.469 5.769) 10.030 8.401 ( 1.304 1.470 5.921) 6.239 8.733 ( -0.016 1.411 1.494) 2.055 9.023 ( 4.052 6.520 -6.641) 10.151 9.675 ( -5.317 -9.321 -4.710) 11.719 9.849 ( -10.480 -4.075 -3.462) 11.765 10.431 ( 6.867 -2.189 -0.293) 7.213 10.701 ( 2.210 0.882 3.207) 3.993 10.912 ( 7.356 -2.436 5.105) 9.279 11.046 ( 6.979 3.707 -0.930) 7.957 11.293 ( 4.894 2.258 -5.944) 8.024 11.725 ( 3.671 0.584 -5.553) 6.682 12.236 ( -10.731 -4.720 -3.125) 12.133 14.245 ( -1.130 1.503 9.745) 9.924 14.715 ( -3.753 -1.188 9.886) 10.641 ======================= Grid point 385 (196/275) ======================= q-point: (-0.44 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 10.463 0.000 4.608) 11.432 2.469 ( 4.266 0.000 1.123) 4.411 2.633 ( 0.742 0.000 6.488) 6.530 2.692 ( 1.031 0.000 -7.737) 7.806 2.885 ( -1.425 -0.000 0.519) 1.516 3.201 ( -0.858 -0.000 0.054) 0.859 3.764 ( -3.260 -0.000 11.128) 11.596 4.151 ( -0.621 -0.000 4.839) 4.879 4.229 ( 3.425 0.000 14.617) 15.013 4.709 ( -2.869 -0.000 -5.478) 6.184 4.894 ( 1.376 0.000 -9.013) 9.118 5.385 ( -3.738 -0.000 1.805) 4.152 5.669 ( -1.198 -0.000 8.352) 8.438 5.994 ( 13.214 0.000 -1.521) 13.301 6.042 ( -3.693 -0.000 -3.186) 4.878 6.532 ( 2.350 0.000 -5.772) 6.232 7.456 ( 0.242 0.000 -2.504) 2.515 7.684 ( 5.565 0.000 5.469) 7.802 7.999 ( 10.761 0.000 10.644) 15.136 8.172 ( -5.570 -0.000 -5.457) 7.797 9.122 ( -7.425 -0.000 6.787) 10.060 9.254 ( 2.935 0.000 4.433) 5.316 9.547 ( -0.171 -0.000 -10.797) 10.798 10.130 ( -3.694 -0.000 -18.091) 18.465 10.236 ( 1.196 0.000 3.532) 3.729 10.326 ( 3.936 0.000 7.740) 8.683 10.681 ( 2.366 0.000 -6.895) 7.290 10.933 ( 4.230 0.000 1.184) 4.392 11.239 ( 0.328 0.000 1.875) 1.903 11.855 ( -1.859 -0.000 -10.247) 10.415 12.397 ( -5.692 -0.000 2.188) 6.097 14.370 ( -2.536 -0.000 9.143) 9.488 14.666 ( -2.345 -0.000 10.660) 10.915 ======================= Grid point 387 (197/275) ======================= q-point: (-0.33 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 4.176 0.526 7.362) 8.480 2.515 ( 1.444 -0.365 2.054) 2.537 2.658 ( 4.898 4.056 1.604) 6.559 2.676 ( 1.459 5.570 -1.120) 5.866 2.870 ( 2.196 -1.076 -1.629) 2.938 3.252 ( 4.092 -3.330 2.364) 5.781 3.797 ( -1.125 -7.285 6.928) 10.116 4.134 ( -0.044 4.234 8.059) 9.104 4.282 ( -2.901 -1.893 9.041) 9.682 4.622 ( -6.349 -0.296 -1.062) 6.444 4.899 ( 1.224 -1.575 -9.408) 9.617 5.319 ( -3.822 1.879 1.932) 4.677 5.603 ( -4.154 4.882 2.776) 6.985 6.031 ( -0.577 -5.036 -2.383) 5.601 6.253 ( 14.225 -5.278 -2.127) 15.321 6.597 ( 8.380 1.563 -3.992) 9.413 7.418 ( -1.589 3.768 -1.950) 4.530 7.820 ( 7.477 1.180 4.418) 8.765 8.031 ( -5.429 2.425 -3.398) 6.849 8.218 ( 8.636 -2.954 9.180) 12.945 8.940 ( -10.827 3.924 3.622) 12.072 9.287 ( 2.370 3.795 1.296) 4.659 9.536 ( -0.569 0.281 -5.136) 5.175 9.955 ( -12.188 -4.194 -16.447) 20.896 10.278 ( 4.555 1.227 2.640) 5.406 10.512 ( 11.309 -4.416 5.061) 13.153 10.709 ( 4.275 1.462 -5.368) 7.017 11.046 ( 5.137 -2.298 4.265) 7.061 11.253 ( 3.002 1.287 -1.867) 3.762 11.797 ( -0.810 1.868 -8.828) 9.060 12.290 ( -9.245 -1.627 1.793) 9.557 14.342 ( -2.040 2.513 9.723) 10.248 14.662 ( -3.179 -2.261 10.331) 11.044 ======================= Grid point 388 (198/275) ======================= q-point: (-0.22 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -6.814 1.356 5.966) 9.158 2.497 ( -3.402 4.583 1.763) 5.974 2.640 ( 1.725 5.620 2.633) 6.442 2.768 ( 10.562 1.878 0.988) 10.773 2.944 ( 2.053 -2.850 3.667) 5.078 3.413 ( 11.097 -0.957 3.195) 11.588 3.890 ( -1.003 -8.722 4.072) 9.677 4.097 ( -1.238 6.408 9.907) 11.864 4.253 ( -2.412 -2.265 -1.137) 3.499 4.514 ( -9.405 -2.736 6.847) 11.951 4.911 ( -0.419 -1.789 -3.531) 3.981 5.230 ( -4.187 2.837 -0.551) 5.087 5.488 ( -2.119 5.318 -4.056) 7.016 6.096 ( 2.383 -4.952 -2.658) 6.105 6.525 ( 10.831 -7.623 -2.396) 13.460 6.746 ( 11.974 0.878 -1.754) 12.133 7.313 ( -4.664 4.946 -2.001) 7.086 7.741 ( -6.350 10.201 -3.753) 12.588 8.062 ( 6.211 -0.550 5.710) 8.455 8.381 ( 3.910 -2.478 9.809) 10.846 8.760 ( -8.314 0.928 0.513) 8.381 9.231 ( 0.813 10.610 -4.046) 11.385 9.512 ( -2.035 -3.770 -3.028) 5.247 9.771 ( -11.627 -4.693 -8.652) 15.234 10.376 ( 6.119 -1.983 0.486) 6.450 10.711 ( 4.236 -0.398 2.238) 4.807 10.818 ( 10.680 -4.298 -0.556) 11.526 11.107 ( 0.253 1.110 5.804) 5.915 11.336 ( 10.712 1.801 -6.805) 12.818 11.754 ( 1.159 1.815 -7.067) 7.387 12.144 ( -12.370 -3.565 -0.210) 12.875 14.310 ( -0.581 3.995 10.286) 11.050 14.664 ( -3.487 -3.176 9.768) 10.847 ======================= Grid point 389 (199/275) ======================= q-point: (-0.11 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -7.346 -2.378 5.761) 9.633 2.370 ( -4.463 6.545 0.804) 7.963 2.609 ( 1.187 5.128 3.851) 6.522 2.909 ( 7.008 1.025 4.323) 8.298 2.993 ( 1.740 2.040 7.378) 7.850 3.568 ( 4.106 1.554 1.045) 4.513 3.932 ( -5.611 -5.510 0.943) 7.921 4.034 ( 2.493 6.575 8.048) 10.688 4.280 ( 1.185 -2.815 1.833) 3.562 4.456 ( -5.579 -7.440 10.206) 13.807 4.888 ( -3.600 0.094 2.507) 4.387 5.127 ( -3.192 3.424 -3.407) 5.790 5.418 ( 1.633 2.997 -10.330) 10.879 6.191 ( 5.058 -2.182 -2.946) 6.247 6.744 ( 8.059 -5.090 -0.985) 9.582 6.889 ( 5.004 3.594 -1.608) 6.367 7.210 ( -1.341 -2.278 -3.195) 4.147 7.501 ( -7.459 10.428 -1.651) 12.927 8.126 ( 2.034 6.399 6.599) 9.415 8.439 ( -0.860 0.333 8.387) 8.437 8.651 ( -7.077 -3.697 -1.425) 8.110 9.122 ( 0.480 6.386 -6.822) 9.357 9.489 ( -6.985 -3.892 -4.522) 9.186 9.692 ( -1.264 -4.886 1.096) 5.164 10.500 ( 4.561 -3.873 -0.344) 5.994 10.752 ( 1.971 1.547 2.354) 3.438 10.953 ( -0.104 -0.205 4.938) 4.943 11.107 ( -0.623 -0.490 -3.671) 3.755 11.533 ( 19.241 3.212 -3.661) 19.848 11.764 ( 2.290 0.169 -5.472) 5.934 11.980 ( -11.650 -5.661 -4.690) 13.775 14.296 ( 0.474 3.639 10.418) 11.045 14.667 ( -2.887 -2.205 9.269) 9.956 ======================= Grid point 396 (200/275) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -7.539 -0.000 11.348) 13.624 2.486 ( -3.458 -0.000 0.869) 3.566 2.738 ( 1.145 0.000 3.040) 3.248 2.818 ( 8.744 0.000 1.128) 8.817 2.883 ( 3.084 0.000 0.642) 3.150 3.419 ( 15.418 0.000 -0.157) 15.419 3.765 ( 0.310 0.000 3.610) 3.623 4.180 ( 1.321 0.000 3.702) 3.931 4.228 ( -4.839 -0.000 4.957) 6.927 4.482 ( -10.529 -0.000 5.922) 12.080 4.889 ( 0.343 0.000 -4.244) 4.258 5.260 ( -5.053 -0.000 0.874) 5.128 5.553 ( -4.825 -0.000 -0.892) 4.907 6.031 ( 4.988 0.000 -4.738) 6.880 6.432 ( 12.028 0.000 -2.584) 12.302 6.760 ( 11.399 0.000 -3.274) 11.859 7.379 ( -5.201 -0.000 -1.300) 5.361 7.906 ( -7.820 -0.000 -7.184) 10.619 7.999 ( 8.749 0.000 6.862) 11.119 8.346 ( 4.717 0.000 12.117) 13.003 8.768 ( -11.246 -0.000 0.123) 11.246 9.345 ( 2.512 0.000 1.695) 3.030 9.559 ( 1.114 0.000 0.044) 1.114 9.650 ( -15.244 -0.000 -17.621) 23.300 10.359 ( 3.899 0.000 1.799) 4.294 10.688 ( 10.544 0.000 4.756) 11.567 10.778 ( 5.141 0.000 -6.076) 7.959 11.113 ( 1.608 0.000 8.183) 8.339 11.359 ( 11.548 0.000 -6.847) 13.426 11.779 ( 0.246 0.000 -7.936) 7.940 12.101 ( -13.281 -0.000 1.262) 13.341 14.369 ( 0.253 0.000 10.639) 10.642 14.616 ( -3.972 -0.000 9.513) 10.309 ======================= Grid point 397 (201/275) ======================= q-point: (-0.22 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -10.310 2.099 11.237) 15.394 2.409 ( -8.913 -1.860 1.547) 9.235 2.740 ( 2.155 5.252 5.968) 8.237 2.937 ( 8.506 1.641 1.091) 8.732 2.986 ( 5.341 -2.135 2.289) 6.191 3.628 ( 8.967 3.640 0.607) 9.697 3.811 ( -0.636 -5.159 1.688) 5.465 4.157 ( 0.808 3.929 0.930) 4.117 4.234 ( 2.801 -1.658 0.530) 3.298 4.340 ( -10.397 -2.723 13.037) 16.896 4.879 ( -1.862 -0.434 3.282) 3.798 5.171 ( -4.771 0.812 -1.651) 5.113 5.470 ( -2.572 1.448 -6.681) 7.304 6.144 ( 8.761 -1.511 -4.903) 10.153 6.628 ( 10.242 -3.687 -2.342) 11.135 6.934 ( 10.842 0.714 -2.607) 11.173 7.245 ( -8.424 2.766 -1.414) 8.978 7.709 ( -8.230 7.592 -5.983) 12.695 8.138 ( 2.092 -4.146 7.183) 8.554 8.412 ( -1.615 -0.634 11.480) 11.611 8.623 ( -6.197 -0.099 -1.802) 6.454 9.293 ( -8.383 7.380 -12.143) 16.498 9.423 ( -1.294 -1.515 -1.352) 2.408 9.611 ( 0.473 -3.440 2.473) 4.263 10.423 ( 2.038 -2.291 1.305) 3.332 10.791 ( 3.104 2.142 0.551) 3.811 10.878 ( 4.074 -4.451 -2.568) 6.558 11.131 ( -1.143 1.253 6.537) 6.753 11.590 ( 19.150 1.591 -6.934) 20.429 11.771 ( 1.815 0.532 -6.429) 6.701 11.883 ( -14.533 -2.946 -1.216) 14.879 14.395 ( 1.749 4.391 10.810) 11.798 14.596 ( -3.403 -3.577 8.464) 9.799 ======================= Grid point 398 (202/275) ======================= q-point: (-0.11 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -9.986 -1.175 10.301) 14.394 2.253 ( -12.226 -1.688 2.885) 12.675 2.739 ( 4.307 7.301 4.267) 9.490 3.060 ( 6.634 4.005 8.267) 11.331 3.092 ( 6.412 -0.144 1.277) 6.539 3.604 ( -3.348 5.095 -3.932) 7.254 3.786 ( -7.798 -2.622 1.845) 8.431 4.177 ( 2.879 4.754 8.195) 9.901 4.270 ( -1.489 -2.871 15.273) 15.612 4.385 ( 5.959 -6.238 -2.211) 8.906 4.858 ( -1.527 0.903 5.625) 5.898 5.095 ( -2.201 0.923 -3.232) 4.018 5.415 ( -0.303 -0.004 -10.201) 10.205 6.302 ( 10.766 0.294 -4.449) 11.653 6.791 ( 3.096 -1.579 -1.206) 3.679 6.995 ( 0.354 5.881 -1.910) 6.194 7.161 ( 2.301 -4.778 -3.196) 6.192 7.471 ( -7.944 8.109 -2.660) 11.659 8.184 ( -3.143 -1.120 7.850) 8.529 8.362 ( -7.831 -3.244 3.736) 9.263 8.538 ( -3.828 2.313 1.106) 4.607 9.050 ( -10.703 0.481 -12.374) 16.367 9.441 ( 3.086 2.572 2.993) 5.010 9.690 ( 3.959 -2.559 4.015) 6.192 10.479 ( -0.822 -5.449 1.304) 5.663 10.796 ( 0.024 1.234 0.461) 1.317 10.948 ( 1.021 -2.492 -0.907) 2.842 11.067 ( -5.056 3.510 1.815) 6.417 11.644 ( -11.070 -0.984 -2.954) 11.500 11.791 ( 0.927 -3.341 -5.982) 6.914 11.942 ( 20.892 0.595 -6.454) 21.874 14.383 ( 0.434 5.579 9.189) 10.759 14.629 ( -0.529 -3.706 8.548) 9.332 ======================= Grid point 406 (203/275) ======================= q-point: (-0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -11.578 -0.000 14.837) 18.820 2.211 ( -13.821 -0.000 1.780) 13.935 2.843 ( 3.999 0.000 5.253) 6.602 3.066 ( 6.709 0.000 -2.557) 7.180 3.107 ( 9.636 0.000 7.310) 12.095 3.690 ( -4.048 -0.000 -3.916) 5.632 3.738 ( -6.136 -0.000 3.239) 6.938 4.209 ( -6.712 -0.000 19.516) 20.638 4.265 ( 8.643 0.000 -0.845) 8.685 4.305 ( 5.733 0.000 -0.740) 5.781 4.868 ( -0.686 -0.000 7.430) 7.461 5.101 ( -3.064 -0.000 -2.674) 4.067 5.415 ( -2.100 -0.000 -9.255) 9.490 6.301 ( 12.600 0.000 -5.071) 13.582 6.764 ( 9.441 0.000 -2.190) 9.692 7.090 ( -11.632 -0.000 -0.665) 11.651 7.096 ( 9.175 0.000 -2.782) 9.587 7.591 ( -9.483 -0.000 -7.166) 11.886 8.075 ( -6.544 -0.000 5.620) 8.626 8.380 ( -6.537 -0.000 11.343) 13.092 8.565 ( -1.874 -0.000 -1.280) 2.269 9.063 ( -13.851 -0.000 -15.341) 20.668 9.492 ( 5.242 0.000 3.996) 6.592 9.652 ( 4.402 0.000 5.262) 6.860 10.410 ( -2.171 -0.000 2.077) 3.005 10.812 ( -1.829 -0.000 -0.553) 1.910 10.902 ( 3.272 0.000 -3.627) 4.885 11.119 ( -3.824 -0.000 6.094) 7.195 11.623 ( -13.310 -0.000 -2.692) 13.580 11.758 ( 1.395 0.000 -6.810) 6.951 11.951 ( 21.618 0.000 -5.908) 22.411 14.507 ( 3.839 0.000 11.321) 11.954 14.527 ( -3.465 -0.000 5.742) 6.706 ======================= Grid point 407 (204/275) ======================= q-point: (-0.11 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -12.112 0.846 10.164) 15.834 2.015 ( -13.079 -4.092 10.240) 17.107 2.884 ( 3.171 4.564 2.538) 6.109 3.148 ( 2.989 -0.551 -4.240) 5.217 3.283 ( 9.001 5.884 10.385) 14.950 3.568 ( -3.104 0.945 -3.567) 4.822 3.618 ( -10.964 -2.122 6.211) 12.778 4.200 ( -1.922 -0.995 15.112) 15.266 4.358 ( 3.837 2.919 7.988) 9.330 4.444 ( 7.995 -3.280 -1.580) 8.785 4.893 ( 2.171 1.323 3.770) 4.547 5.073 ( 0.403 -0.304 -2.174) 2.232 5.369 ( -0.813 -1.182 -9.314) 9.424 6.501 ( 13.187 0.812 -4.443) 13.939 6.797 ( -7.325 8.649 -0.600) 11.350 6.988 ( 2.685 -7.058 -1.111) 7.633 7.199 ( 3.742 2.207 -3.195) 5.393 7.396 ( -7.526 2.254 -4.791) 9.202 8.018 ( -7.857 -9.241 3.470) 12.616 8.243 ( -10.977 3.037 7.297) 13.526 8.513 ( -3.595 1.701 0.651) 4.030 8.823 ( -11.147 -0.370 -12.920) 17.068 9.578 ( 6.580 3.628 6.114) 9.688 9.765 ( 6.140 -1.287 5.174) 8.132 10.379 ( -4.748 -4.507 2.184) 6.901 10.773 ( -2.171 -0.406 -1.911) 2.921 10.937 ( 0.744 -1.452 -2.090) 2.651 11.030 ( -6.242 3.734 5.663) 9.218 11.448 ( -7.874 -1.317 -5.171) 9.512 11.749 ( -1.155 -1.765 -6.376) 6.716 12.265 ( 18.203 0.599 -5.677) 19.077 14.460 ( -0.914 5.103 4.652) 6.965 14.625 ( 2.383 -3.746 9.676) 10.646 ======================= Grid point 416 (205/275) ======================= q-point: (-0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -12.709 -0.000 8.709) 15.407 1.873 ( -8.250 -0.000 19.448) 21.126 2.936 ( -0.134 -0.000 1.261) 1.268 3.134 ( -2.704 -0.000 -7.240) 7.728 3.391 ( -9.616 -0.000 9.430) 13.468 3.487 ( -1.794 -0.000 -8.343) 8.534 3.608 ( 10.515 0.000 16.165) 19.284 4.222 ( 1.135 0.000 10.473) 10.534 4.411 ( -1.569 -0.000 10.974) 11.086 4.595 ( 12.058 0.000 0.909) 12.093 4.936 ( 0.735 0.000 -2.234) 2.352 5.096 ( 2.875 0.000 -1.035) 3.056 5.335 ( 0.296 0.000 -5.624) 5.632 6.570 ( -8.277 -0.000 -2.180) 8.559 6.834 ( 8.630 0.000 -0.963) 8.684 7.001 ( 4.965 0.000 -0.636) 5.005 7.224 ( -9.862 -0.000 -6.991) 12.089 7.284 ( 2.984 0.000 -1.432) 3.310 7.846 ( -7.473 -0.000 3.257) 8.152 8.067 ( -14.455 -0.000 6.564) 15.876 8.456 ( -3.708 -0.000 -0.540) 3.747 8.642 ( -6.703 -0.000 -12.776) 14.428 9.740 ( 8.121 0.000 8.875) 12.030 9.885 ( 7.643 0.000 4.322) 8.780 10.272 ( -5.115 -0.000 2.074) 5.519 10.735 ( -1.185 -0.000 -3.214) 3.425 10.928 ( -0.860 -0.000 0.586) 1.041 10.952 ( -7.670 -0.000 6.244) 9.890 11.345 ( -2.634 -0.000 -6.578) 7.086 11.682 ( -3.658 -0.000 -6.174) 7.176 12.496 ( 11.545 0.000 -5.640) 12.849 14.478 ( -0.738 -0.000 0.165) 0.757 14.675 ( 2.230 0.000 10.871) 11.097 ======================= Grid point 417 (206/275) ======================= q-point: ( 0.00 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 9.253 0.000 13.906) 16.703 2.206 ( -2.851 -0.000 18.419) 18.638 2.614 ( -8.014 -0.000 -11.507) 14.023 2.838 ( -2.503 -0.000 -3.529) 4.327 3.200 ( -0.883 -0.000 -11.858) 11.891 3.455 ( -1.559 -0.000 8.313) 8.458 4.183 ( 0.995 0.000 11.812) 11.854 4.385 ( 2.194 0.000 -2.029) 2.988 4.565 ( -1.119 -0.000 3.092) 3.288 4.689 ( -2.148 -0.000 -4.192) 4.710 5.115 ( 6.083 0.000 4.648) 7.655 5.156 ( -0.573 -0.000 0.104) 0.583 5.393 ( -1.962 -0.000 5.235) 5.591 6.166 ( -4.300 -0.000 -3.466) 5.523 6.893 ( -1.582 -0.000 -1.296) 2.045 7.071 ( -2.951 -0.000 1.980) 3.554 7.125 ( 0.664 0.000 3.523) 3.585 7.286 ( -0.067 -0.000 -2.931) 2.932 7.695 ( -5.782 -0.000 3.459) 6.737 7.863 ( 2.731 0.000 1.030) 2.919 8.331 ( 3.231 0.000 -7.373) 8.050 8.405 ( 4.529 0.000 -3.157) 5.521 10.153 ( 1.404 0.000 0.817) 1.624 10.211 ( 7.374 0.000 2.265) 7.714 10.236 ( 3.540 0.000 0.290) 3.552 10.574 ( -5.971 -0.000 -0.814) 6.026 10.901 ( -5.563 -0.000 7.565) 9.390 10.934 ( -1.520 -0.000 2.801) 3.187 11.164 ( -0.203 -0.000 -4.791) 4.795 11.439 ( 1.274 0.000 -5.462) 5.609 12.566 ( 0.473 0.000 -2.742) 2.782 14.419 ( -1.091 -0.000 -0.529) 1.213 14.914 ( -0.407 -0.000 5.481) 5.496 ======================= Grid point 418 (207/275) ======================= q-point: ( 0.11 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -0.061 1.634 17.217) 17.295 2.276 ( 12.409 -1.536 9.322) 15.596 2.471 ( -5.519 -0.933 -7.326) 9.219 2.775 ( -2.501 3.197 -0.917) 4.161 3.111 ( -1.159 5.819 -10.281) 11.871 3.494 ( -0.128 -4.337 8.217) 9.292 4.185 ( -5.262 -1.605 11.235) 12.510 4.437 ( 4.477 -0.169 -5.164) 6.837 4.541 ( -2.069 2.302 4.049) 5.096 4.662 ( 0.392 0.210 -2.825) 2.859 5.095 ( -7.038 -1.711 -0.647) 7.272 5.123 ( -3.496 2.346 -0.176) 4.214 5.346 ( -5.430 0.236 6.420) 8.412 6.186 ( 5.604 -1.214 1.085) 5.836 6.776 ( -6.205 9.251 0.110) 11.140 6.964 ( 2.850 10.160 0.963) 10.595 7.203 ( -1.952 -8.587 2.017) 9.034 7.296 ( -2.155 -5.379 -2.198) 6.197 7.665 ( -3.753 -7.061 5.788) 9.871 8.010 ( 10.019 -3.823 0.338) 10.728 8.410 ( 10.097 1.496 -7.704) 12.789 8.516 ( 8.746 -1.445 -4.542) 9.960 10.119 ( -0.759 4.242 -0.745) 4.373 10.245 ( -3.751 3.709 -6.494) 8.366 10.359 ( 10.131 -1.607 -0.682) 10.280 10.508 ( -4.184 -4.591 4.676) 7.775 10.806 ( -2.363 5.641 8.237) 10.260 10.949 ( -2.269 -4.365 5.528) 7.400 11.148 ( -0.595 -0.572 -4.499) 4.574 11.487 ( 5.536 0.102 -4.860) 7.367 12.533 ( -3.366 0.614 -2.696) 4.356 14.396 ( -1.044 0.914 1.025) 1.725 14.914 ( -1.886 -0.730 5.122) 5.507 ======================= Grid point 419 (208/275) ======================= q-point: ( 0.22 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -0.813 0.094 14.177) 14.201 2.321 ( -3.265 -0.964 -8.411) 9.074 2.610 ( 11.849 -3.042 10.769) 16.298 2.700 ( 0.105 5.067 1.068) 5.179 3.016 ( 0.213 4.883 -6.770) 8.351 3.576 ( 2.922 -2.733 7.505) 8.505 4.114 ( -9.745 -2.706 8.675) 13.325 4.437 ( -6.627 5.251 1.472) 8.583 4.470 ( 0.657 1.439 -3.677) 4.003 4.696 ( 5.342 1.195 -1.142) 5.592 4.984 ( -8.680 -4.803 -2.540) 10.240 5.040 ( -1.762 2.154 -3.252) 4.280 5.253 ( -8.035 -0.211 7.703) 11.133 6.319 ( 3.008 -4.674 6.335) 8.428 6.569 ( -2.378 10.753 -3.115) 11.445 6.953 ( 7.162 9.708 0.087) 12.064 7.211 ( -8.067 -8.952 -1.506) 12.144 7.334 ( 1.753 -2.279 0.866) 3.003 7.756 ( 1.013 -9.668 6.968) 11.960 8.207 ( 6.990 -5.624 0.117) 8.972 8.565 ( 11.837 1.346 -5.599) 13.163 8.678 ( 10.057 -2.058 -5.254) 11.532 9.995 ( -8.943 6.556 -3.817) 11.727 10.086 ( -3.949 4.972 -5.348) 8.301 10.502 ( -0.918 -0.373 5.643) 5.730 10.569 ( 10.922 -2.927 -3.194) 11.750 10.800 ( 4.388 1.341 7.334) 8.651 10.984 ( -1.111 -4.249 7.660) 8.830 11.133 ( -0.770 -1.111 -4.321) 4.528 11.568 ( 6.344 1.080 -4.741) 7.993 12.425 ( -7.871 1.251 -2.978) 8.508 14.378 ( -0.013 1.363 2.974) 3.271 14.895 ( -3.290 -1.171 4.862) 5.986 ======================= Grid point 420 (209/275) ======================= q-point: ( 0.33 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -3.250 -2.055 -0.270) 3.855 2.324 ( 1.569 -2.154 6.063) 6.622 2.648 ( 2.295 5.415 1.193) 6.001 2.834 ( 6.367 -2.216 6.869) 9.625 3.008 ( 2.467 -1.329 2.080) 3.490 3.669 ( 4.182 1.757 5.496) 7.126 3.976 ( -12.059 -3.565 1.383) 12.651 4.249 ( -8.239 5.209 1.348) 9.840 4.418 ( -0.511 5.527 -2.887) 6.256 4.781 ( 5.456 1.153 1.694) 5.828 4.917 ( -6.275 -5.121 -0.848) 8.143 5.027 ( 3.233 0.049 -6.503) 7.262 5.147 ( -8.342 -2.344 7.443) 11.423 6.295 ( -7.463 0.828 3.072) 8.113 6.579 ( 10.064 1.809 -1.282) 10.306 6.950 ( 3.218 7.607 0.168) 8.261 7.169 ( -7.645 -8.866 -2.176) 11.907 7.388 ( 3.175 0.670 1.064) 3.415 7.912 ( 3.153 -8.203 7.077) 11.284 8.352 ( 3.549 -5.573 0.337) 6.615 8.708 ( 7.273 0.178 -2.609) 7.729 8.834 ( 8.020 -1.473 -5.191) 9.666 9.736 ( -11.461 5.837 -4.151) 13.515 9.955 ( -2.617 8.250 -3.677) 9.403 10.523 ( 2.356 0.288 5.618) 6.099 10.720 ( 4.406 -1.863 -0.948) 4.876 10.937 ( 6.080 -3.334 0.080) 6.935 11.034 ( -0.941 -2.282 5.732) 6.241 11.170 ( 9.176 -0.847 -0.073) 9.215 11.634 ( 4.935 1.455 -4.939) 7.132 12.232 ( -12.550 1.909 -3.899) 13.280 14.386 ( 1.404 1.278 4.577) 4.955 14.861 ( -3.999 -1.275 4.731) 6.324 ======================= Grid point 421 (210/275) ======================= q-point: (-0.56 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -2.311 -2.757 -1.253) 3.810 2.393 ( 1.368 -1.335 5.344) 5.676 2.637 ( 0.978 2.560 2.634) 3.802 2.982 ( 8.839 -2.268 6.233) 11.051 3.084 ( -0.162 -4.500 7.657) 8.883 3.606 ( -12.244 -0.003 2.639) 12.525 3.882 ( -0.244 1.976 -8.869) 9.090 4.125 ( -3.006 -0.391 5.389) 6.183 4.356 ( 2.115 5.690 -2.412) 6.531 4.821 ( 2.638 7.098 4.570) 8.844 4.884 ( -5.856 -8.643 1.236) 10.513 5.025 ( -4.854 -0.812 3.930) 6.298 5.150 ( 5.356 -2.564 -6.210) 8.592 6.198 ( -2.426 0.988 -0.651) 2.699 6.729 ( 6.838 -2.684 -0.209) 7.349 6.896 ( -1.102 4.781 0.116) 4.908 7.147 ( -4.550 -6.201 -1.904) 7.924 7.422 ( 2.418 2.128 1.016) 3.377 8.048 ( 1.999 -5.713 5.059) 7.889 8.455 ( 0.342 -7.304 3.005) 7.906 8.731 ( -0.492 6.030 -2.857) 6.691 8.947 ( 4.245 -2.455 -2.997) 5.747 9.517 ( -7.080 3.687 -1.652) 8.152 9.823 ( -0.777 7.784 -2.568) 8.234 10.589 ( 3.600 0.260 4.491) 5.761 10.780 ( 1.861 -1.129 0.997) 2.394 10.963 ( -3.344 -1.015 -7.153) 7.961 11.054 ( -1.757 -3.789 8.700) 9.651 11.459 ( 21.315 -0.118 -0.350) 21.319 11.666 ( 1.879 0.496 -4.544) 4.942 11.971 ( -13.989 2.959 -5.440) 15.298 14.414 ( 1.357 0.424 5.104) 5.298 14.826 ( -2.941 -0.763 4.748) 5.637 ======================= Grid point 422 (211/275) ======================= q-point: (-0.44 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -3.814 -0.534 -0.231) 3.858 2.394 ( -2.854 1.569 5.569) 6.451 2.658 ( 1.004 -3.026 1.749) 3.636 3.095 ( -1.635 -2.834 2.285) 3.991 3.244 ( 11.099 -3.603 14.259) 18.425 3.389 ( -12.778 -3.036 -5.408) 14.204 3.817 ( -2.103 2.141 -3.784) 4.829 4.175 ( 2.443 -4.488 3.120) 5.987 4.364 ( 5.660 3.555 -3.215) 7.417 4.759 ( -0.198 9.337 9.776) 13.520 4.900 ( -5.973 -8.323 2.769) 10.612 4.978 ( -1.411 -1.363 -1.689) 2.588 5.246 ( 6.458 1.316 -5.537) 8.607 6.212 ( 3.492 -2.845 -2.004) 4.930 6.776 ( -3.857 0.878 -2.052) 4.456 6.885 ( 2.526 -3.078 0.622) 4.030 7.141 ( -1.126 -2.257 -1.685) 3.034 7.424 ( 1.006 2.998 0.884) 3.284 8.128 ( -0.796 -5.855 2.265) 6.328 8.525 ( -3.488 -7.137 5.557) 9.695 8.563 ( -6.327 11.527 -2.656) 13.415 8.955 ( -3.523 3.069 -2.817) 5.456 9.453 ( 1.820 -0.843 1.959) 2.803 9.779 ( 2.875 2.542 -0.570) 3.880 10.625 ( 0.354 2.135 3.640) 4.235 10.818 ( 0.234 -0.470 2.813) 2.861 10.882 ( -3.466 -0.459 -8.179) 8.895 11.078 ( -2.839 -2.986 7.954) 8.958 11.557 ( -10.567 -0.819 -5.000) 11.719 11.746 ( -1.647 4.278 -8.833) 9.951 11.860 ( 19.486 -0.394 0.266) 19.492 14.437 ( -0.711 -1.164 4.080) 4.302 14.815 ( -0.027 0.500 5.084) 5.109 ======================= Grid point 423 (212/275) ======================= q-point: (-0.33 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -6.568 2.444 3.102) 7.664 2.318 ( -5.716 1.932 9.415) 11.182 2.745 ( 2.948 -6.326 -1.994) 7.259 3.070 ( -3.740 -1.045 -4.591) 6.014 3.178 ( -13.146 -6.714 -1.602) 14.848 3.571 ( 13.982 -2.266 8.081) 16.307 3.766 ( -0.365 1.580 3.267) 3.647 4.284 ( 2.316 -6.125 2.854) 7.143 4.424 ( 5.825 1.693 -3.207) 6.862 4.690 ( 0.283 7.449 11.128) 13.394 4.874 ( -4.967 -4.049 0.296) 6.415 5.006 ( 2.948 -1.407 -3.866) 5.061 5.301 ( 4.717 2.726 -1.802) 5.738 6.354 ( 6.972 -7.880 -2.044) 10.718 6.666 ( -6.169 2.150 -3.064) 7.215 6.943 ( -4.253 -8.775 0.116) 9.752 7.160 ( 4.957 3.467 -2.029) 6.380 7.400 ( 0.462 3.656 0.487) 3.717 8.158 ( -3.924 -5.436 -0.345) 6.713 8.303 ( -7.993 12.528 -0.891) 14.888 8.513 ( -6.789 -3.738 4.545) 8.984 8.772 ( -9.407 7.426 -1.558) 12.086 9.583 ( 8.355 -4.257 3.887) 10.150 9.841 ( 4.442 -1.550 1.873) 5.064 10.565 ( -4.192 4.876 3.657) 7.398 10.765 ( -3.475 1.335 -3.695) 5.246 10.872 ( -0.688 -2.349 -0.618) 2.525 11.072 ( -3.349 -2.416 5.960) 7.251 11.359 ( -9.924 -0.340 -5.425) 11.315 11.668 ( -0.989 3.597 -8.000) 8.827 12.176 ( 17.020 -0.720 -1.409) 17.093 14.439 ( -2.097 -2.289 1.984) 3.684 14.837 ( 2.105 1.526 5.571) 6.148 ======================= Grid point 424 (213/275) ======================= q-point: (-0.22 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -5.383 2.611 8.167) 10.124 2.242 ( -5.308 0.639 13.841) 14.837 2.825 ( -1.492 -4.651 -4.274) 6.491 2.985 ( -4.994 -0.398 -7.665) 9.158 3.105 ( -5.080 -10.876 -8.153) 14.511 3.621 ( -3.301 4.500 3.955) 6.840 3.924 ( 12.938 1.034 11.623) 17.423 4.365 ( -0.776 -3.555 4.858) 6.069 4.494 ( 3.433 -1.317 0.134) 3.679 4.712 ( 6.735 1.840 5.915) 9.151 4.833 ( -2.456 -0.082 -2.180) 3.285 5.067 ( 4.244 -0.526 -2.648) 5.029 5.344 ( 3.513 1.557 1.930) 4.300 6.496 ( -11.503 -5.605 -2.830) 13.105 6.595 ( 9.645 -4.960 -2.280) 11.083 6.952 ( -6.740 -11.076 -0.646) 12.981 7.198 ( 7.572 8.754 -1.526) 11.675 7.368 ( 0.810 4.245 -0.347) 4.335 8.025 ( -4.637 13.752 -4.187) 15.104 8.117 ( -11.607 -3.956 4.797) 13.167 8.433 ( -5.886 -1.328 -1.016) 6.119 8.534 ( -9.682 5.628 0.320) 11.204 9.800 ( 10.101 -4.954 5.324) 12.447 9.947 ( 4.699 -2.796 2.872) 6.176 10.424 ( -5.750 6.324 2.908) 9.028 10.697 ( -1.505 1.760 -3.322) 4.050 10.879 ( -2.891 -4.855 1.047) 5.747 11.060 ( -2.449 -0.804 4.373) 5.076 11.232 ( -4.224 0.449 -5.039) 6.590 11.580 ( -3.087 2.732 -7.233) 8.325 12.405 ( 10.685 -0.737 -2.212) 10.936 14.435 ( -1.640 -2.166 -0.018) 2.717 14.872 ( 2.097 1.568 5.820) 6.382 ======================= Grid point 425 (214/275) ======================= q-point: (-0.11 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 0.420 1.178 12.739) 12.800 2.209 ( -3.824 -0.329 17.050) 17.476 2.764 ( -7.407 -1.839 -8.426) 11.369 2.893 ( -3.667 -0.565 -6.939) 7.869 3.174 ( 0.279 -9.833 -10.832) 14.632 3.515 ( -3.199 6.208 6.193) 9.334 4.097 ( 7.478 2.603 10.665) 13.283 4.375 ( -1.256 -0.919 3.364) 3.707 4.554 ( 0.017 -2.715 3.471) 4.407 4.749 ( -3.371 -0.721 -6.414) 7.282 4.921 ( 13.914 1.449 6.629) 15.480 5.132 ( 3.032 -0.601 -0.975) 3.241 5.385 ( 1.331 0.229 4.079) 4.296 6.314 ( -11.378 -0.579 -4.215) 12.147 6.819 ( 2.169 -13.733 -0.770) 13.924 6.989 ( -0.656 -8.617 -0.679) 8.669 7.187 ( 4.394 11.617 0.852) 12.449 7.325 ( 0.963 5.927 -1.536) 6.198 7.823 ( -4.073 8.944 -0.446) 9.838 7.944 ( -11.706 -0.203 3.563) 12.238 8.349 ( -3.127 0.725 -5.964) 6.773 8.397 ( -2.660 0.416 -0.084) 2.694 10.027 ( 9.018 -4.627 5.340) 11.456 10.064 ( 5.408 -2.452 2.219) 6.339 10.287 ( -3.356 5.616 1.796) 6.784 10.651 ( -1.721 1.576 -2.504) 3.423 10.896 ( -3.256 -6.495 2.719) 7.757 11.012 ( -3.443 3.246 4.793) 6.735 11.180 ( -0.677 -0.147 -5.285) 5.330 11.483 ( -3.127 1.542 -6.285) 7.188 12.529 ( 4.846 -0.490 -2.648) 5.544 14.431 ( -1.023 -1.191 -0.989) 1.855 14.899 ( 0.987 0.895 5.770) 5.922 ======================= Grid point 427 (215/275) ======================= q-point: ( 0.11 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -0.641 -0.000 18.473) 18.484 2.306 ( -5.038 -0.000 -10.390) 11.547 2.563 ( 12.087 0.000 11.675) 16.805 2.762 ( -1.372 -0.000 2.219) 2.609 3.079 ( -2.477 -0.000 -9.028) 9.361 3.545 ( 6.630 0.000 7.090) 9.706 4.077 ( -10.686 -0.000 9.811) 14.506 4.482 ( 2.805 0.000 -6.390) 6.979 4.496 ( -6.566 -0.000 3.466) 7.425 4.708 ( 5.357 0.000 -1.112) 5.471 4.921 ( -10.675 -0.000 -3.392) 11.201 5.076 ( -2.559 -0.000 -2.488) 3.569 5.254 ( -8.197 -0.000 8.112) 11.533 6.266 ( 1.813 0.000 6.057) 6.323 6.717 ( -3.476 -0.000 -1.121) 3.652 7.082 ( -5.800 -0.000 -0.276) 5.806 7.163 ( 9.431 0.000 -0.329) 9.436 7.200 ( -4.092 -0.000 -0.319) 4.104 7.634 ( 2.574 0.000 6.383) 6.882 8.155 ( 9.445 0.000 1.429) 9.552 8.617 ( 15.265 0.000 -8.795) 17.617 8.631 ( 7.346 0.000 -3.489) 8.132 10.107 ( -12.442 -0.000 -6.553) 14.062 10.117 ( -1.491 -0.000 -3.081) 3.423 10.476 ( 0.590 0.000 6.230) 6.258 10.523 ( 11.173 0.000 -4.493) 12.043 10.851 ( 0.560 0.000 11.314) 11.328 10.916 ( 1.269 0.000 4.605) 4.777 11.117 ( -1.025 -0.000 -3.232) 3.391 11.582 ( 6.701 0.000 -4.612) 8.135 12.439 ( -7.692 -0.000 -3.564) 8.478 14.398 ( 0.361 0.000 2.561) 2.586 14.879 ( -3.585 -0.000 4.824) 6.010 ======================= Grid point 428 (216/275) ======================= q-point: ( 0.22 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -3.364 0.457 -3.651) 4.985 2.296 ( 0.845 -0.508 15.062) 15.094 2.741 ( 4.523 0.275 6.728) 8.112 2.768 ( 3.118 -0.702 5.854) 6.670 3.014 ( -1.723 1.278 -4.188) 4.705 3.700 ( 7.458 0.906 5.278) 9.181 3.902 ( -12.655 -2.420 4.968) 13.809 4.340 ( -11.216 2.750 1.106) 11.601 4.489 ( 0.864 1.007 -5.664) 5.818 4.762 ( -6.446 -1.571 -1.621) 6.830 4.826 ( 5.099 -1.958 0.160) 5.464 5.058 ( 3.365 1.250 -5.646) 6.690 5.135 ( -8.917 0.279 9.724) 13.197 6.249 ( -6.746 -2.222 5.955) 9.269 6.713 ( 7.371 6.389 -1.562) 9.878 6.986 ( -9.047 -5.621 -1.466) 10.752 7.091 ( -2.803 4.843 1.005) 5.685 7.342 ( 6.097 -4.001 -0.151) 7.294 7.760 ( 6.369 -5.074 7.131) 10.824 8.307 ( 8.434 0.499 1.687) 8.615 8.709 ( 4.205 0.097 -2.452) 4.868 8.829 ( 11.820 0.132 -7.865) 14.198 9.853 ( -12.601 4.425 -4.049) 13.956 10.074 ( -1.883 1.669 -5.090) 5.678 10.510 ( 1.435 0.075 5.812) 5.987 10.652 ( 3.013 -3.430 -2.331) 5.126 10.908 ( 3.816 0.717 8.025) 8.915 10.990 ( 1.621 -1.909 -1.767) 3.065 11.157 ( 10.342 -0.330 2.893) 10.744 11.659 ( 4.365 0.661 -4.663) 6.421 12.263 ( -11.921 0.777 -5.317) 13.076 14.424 ( 2.543 1.483 4.302) 5.213 14.826 ( -5.020 -1.293 4.608) 6.936 ======================= Grid point 429 (217/275) ======================= q-point: ( 0.33 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -0.884 0.020 0.490) 1.011 2.366 ( 2.392 -0.937 11.295) 11.583 2.762 ( 2.816 7.128 -0.637) 7.690 2.884 ( 2.342 -6.365 8.446) 10.832 3.006 ( 1.414 -1.530 7.084) 7.384 3.587 ( -16.967 -1.769 1.746) 17.148 3.917 ( 5.923 1.208 -2.673) 6.609 4.117 ( -12.332 0.159 1.161) 12.388 4.468 ( 1.402 3.538 -4.431) 5.841 4.688 ( -7.080 -7.093 0.189) 10.024 4.939 ( 6.596 1.401 1.345) 6.876 5.015 ( -7.921 1.373 10.954) 13.587 5.141 ( 9.894 0.903 -7.208) 12.275 6.168 ( -6.661 -2.649 1.739) 7.376 6.773 ( 5.973 4.634 -0.460) 7.574 6.914 ( -6.151 -5.428 -0.762) 8.239 7.011 ( -4.253 -0.503 1.446) 4.520 7.448 ( 4.184 -0.402 -0.224) 4.209 7.955 ( 7.072 -5.582 8.869) 12.643 8.396 ( 4.026 3.233 0.902) 5.242 8.767 ( 1.707 -2.309 0.058) 2.872 8.935 ( 4.936 1.402 -7.095) 8.756 9.614 ( -8.574 5.093 -2.237) 10.220 9.990 ( -1.661 5.593 -5.742) 8.186 10.554 ( 0.878 -1.794 5.372) 5.732 10.716 ( 0.507 -4.720 1.625) 5.018 10.934 ( -2.432 -0.398 -5.627) 6.143 11.014 ( 1.367 -1.038 7.371) 7.568 11.458 ( 21.968 -0.023 1.383) 22.012 11.670 ( -1.651 -0.011 -4.042) 4.366 12.028 ( -11.626 2.115 -8.169) 14.366 14.460 ( 2.873 3.216 5.278) 6.816 14.781 ( -4.382 -2.950 4.713) 7.079 ======================= Grid point 430 (218/275) ======================= q-point: (-0.56 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 0.076 0.628 2.349) 2.433 2.437 ( 2.332 0.709 6.222) 6.683 2.685 ( -1.679 6.535 0.423) 6.761 2.973 ( -3.555 -7.614 5.690) 10.148 3.166 ( 8.402 -3.387 15.614) 18.051 3.339 ( -13.129 -1.979 -3.566) 13.747 3.851 ( -7.323 0.174 -4.861) 8.791 4.065 ( -0.439 -4.320 1.309) 4.535 4.449 ( 3.061 3.941 -3.761) 6.248 4.687 ( -5.066 -10.031 0.836) 11.269 4.905 ( -6.704 1.992 10.450) 12.574 5.013 ( 7.195 5.578 0.760) 9.135 5.284 ( 10.058 1.937 -5.266) 11.517 6.125 ( -2.550 -4.251 -1.622) 5.215 6.768 ( -6.912 -6.703 -0.263) 9.632 6.878 ( 0.064 5.888 -0.660) 5.926 7.011 ( 0.038 -6.110 1.802) 6.370 7.492 ( 2.794 1.929 -0.411) 3.420 8.124 ( 5.844 0.092 9.806) 11.416 8.391 ( -1.935 -0.660 0.424) 2.088 8.745 ( -4.418 4.669 -0.515) 6.448 8.967 ( 1.272 -1.438 -3.470) 3.966 9.483 ( -0.729 3.672 -0.066) 3.745 9.888 ( -0.339 6.349 -5.073) 8.134 10.595 ( -1.810 -4.263 3.900) 6.055 10.780 ( 0.477 -3.141 4.002) 5.110 10.855 ( -4.703 -0.941 -7.908) 9.249 11.063 ( 1.266 0.777 8.051) 8.187 11.533 ( -12.644 -1.282 -4.352) 13.434 11.818 ( 12.260 1.558 -6.718) 14.066 11.868 ( 6.343 1.734 -4.094) 7.746 14.461 ( -0.013 3.233 4.671) 5.681 14.786 ( -0.684 -3.078 5.399) 6.252 ======================= Grid point 431 (219/275) ======================= q-point: (-0.44 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -2.439 3.342 3.291) 5.286 2.415 ( -1.990 6.932 4.886) 8.712 2.639 ( -0.043 -2.704 0.166) 2.709 2.984 ( -5.503 -6.410 -1.826) 8.643 3.061 ( -16.476 -3.883 4.242) 17.451 3.507 ( 15.788 -3.409 8.800) 18.394 3.775 ( -2.071 -2.036 0.379) 2.929 4.128 ( 0.468 -6.918 1.972) 7.209 4.461 ( 2.993 1.777 -3.629) 5.029 4.708 ( -6.136 -7.858 1.082) 10.028 4.831 ( -1.780 1.364 7.922) 8.233 5.065 ( 7.656 7.199 -0.025) 10.509 5.371 ( 5.704 3.520 -2.708) 7.229 6.174 ( 1.278 -7.227 -2.766) 7.843 6.720 ( -10.958 -10.940 0.752) 15.503 6.787 ( -2.072 5.750 -2.417) 6.573 7.110 ( 3.415 -4.773 1.260) 6.003 7.505 ( 3.318 4.072 -1.043) 5.355 8.170 ( 1.478 6.166 7.715) 9.986 8.366 ( -6.348 -5.263 0.487) 8.261 8.573 ( -5.781 7.946 -0.615) 9.845 8.929 ( -3.758 5.772 -0.282) 6.894 9.521 ( 6.893 -0.714 1.831) 7.167 9.842 ( 1.850 1.949 -2.861) 3.925 10.596 ( -4.230 -2.752 3.048) 5.895 10.741 ( -6.033 -2.200 -5.647) 8.551 10.839 ( -0.494 -1.196 2.761) 3.049 11.067 ( -1.558 1.681 5.916) 6.344 11.331 ( -10.321 -2.056 -5.000) 11.651 11.754 ( -0.868 4.113 -10.619) 11.420 12.160 ( 16.644 -0.762 -0.911) 16.686 14.429 ( -1.517 1.529 3.248) 3.897 14.838 ( 1.570 -1.578 5.854) 6.263 ======================= Grid point 432 (220/275) ======================= q-point: (-0.33 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -4.594 5.116 6.901) 9.741 2.304 ( -3.985 5.843 8.186) 10.818 2.718 ( 2.595 -5.823 -2.882) 6.996 2.850 ( -13.012 -7.934 -3.532) 15.644 2.963 ( -6.228 -4.614 -5.042) 9.247 3.693 ( 1.258 1.215 4.191) 4.541 3.910 ( 14.247 -2.224 9.864) 17.471 4.233 ( 0.365 -7.945 5.455) 9.644 4.479 ( 0.325 -0.684 -0.598) 0.965 4.675 ( -3.176 -3.825 -1.982) 5.353 4.860 ( 2.518 -0.510 5.003) 5.624 5.108 ( 6.643 6.191 -0.551) 9.097 5.396 ( 2.785 3.053 -0.236) 4.139 6.276 ( -0.282 -9.012 -1.420) 9.127 6.617 ( -11.053 -4.059 1.493) 11.869 6.736 ( -1.470 -4.078 -5.257) 6.814 7.214 ( 2.383 -4.813 0.934) 5.451 7.513 ( 5.896 7.470 -2.124) 9.751 8.086 ( -8.845 2.201 7.718) 11.944 8.290 ( -0.272 6.005 -7.796) 9.844 8.422 ( -5.966 3.502 4.577) 8.295 8.734 ( -6.773 12.542 0.652) 14.268 9.704 ( 10.570 -3.828 3.674) 11.827 9.883 ( 2.861 -2.474 -0.294) 3.794 10.525 ( -5.683 1.687 1.333) 6.076 10.673 ( -4.557 -4.257 -5.095) 8.053 10.815 ( -4.055 -0.353 4.293) 5.915 11.041 ( -1.285 -0.840 2.090) 2.593 11.232 ( -3.515 -0.346 -2.278) 4.202 11.656 ( -2.406 4.112 -9.778) 10.877 12.385 ( 10.288 -1.026 -1.604) 10.463 14.406 ( -1.085 -0.004 1.750) 2.059 14.890 ( 1.553 -0.218 5.820) 6.027 ======================= Grid point 433 (221/275) ======================= q-point: (-0.22 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( -0.507 3.396 11.432) 11.936 2.224 ( -3.209 2.751 12.336) 13.040 2.699 ( -7.092 -3.898 -4.397) 9.210 2.848 ( -4.161 -5.423 -7.030) 9.806 2.920 ( -0.447 -10.122 -9.485) 13.879 3.659 ( -1.460 5.961 6.365) 8.842 4.158 ( 10.397 1.683 8.629) 13.616 4.310 ( -1.357 -5.592 5.778) 8.155 4.483 ( -1.778 -3.059 2.327) 4.235 4.696 ( -0.462 -4.177 -5.048) 6.568 4.951 ( 7.299 -0.294 5.186) 8.958 5.146 ( 4.737 3.682 -0.797) 6.052 5.402 ( 0.647 1.539 2.231) 2.787 6.280 ( -7.646 -2.644 -0.992) 8.151 6.557 ( -4.171 -10.451 0.452) 11.261 6.784 ( 0.199 -8.457 -4.261) 9.472 7.284 ( 0.099 -3.392 1.303) 3.635 7.510 ( 5.924 11.615 -2.464) 13.269 7.933 ( -8.848 -1.083 4.435) 9.957 8.135 ( -2.151 17.122 -2.289) 17.407 8.369 ( 0.016 -1.756 -1.855) 2.554 8.489 ( -5.592 12.166 0.203) 13.391 9.928 ( 8.640 -3.861 5.075) 10.738 9.978 ( 4.769 -4.961 0.155) 6.883 10.408 ( -4.123 4.094 -0.549) 5.836 10.656 ( -2.601 -4.173 -2.843) 5.680 10.769 ( -4.450 -2.407 5.070) 7.162 11.047 ( -0.383 -0.368 2.230) 2.292 11.182 ( -1.667 0.800 -2.407) 3.036 11.543 ( -2.894 3.815 -8.274) 9.560 12.510 ( 4.566 -1.153 -2.013) 5.122 14.401 ( -0.745 -0.960 0.613) 1.361 14.921 ( 0.664 0.646 5.620) 5.696 ======================= Grid point 434 (222/275) ======================= q-point: (-0.11 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 8.237 1.192 13.235) 15.634 2.205 ( -1.817 0.531 15.651) 15.765 2.602 ( -6.825 -1.447 -9.144) 11.502 2.791 ( -3.969 -3.844 -4.753) 7.288 3.041 ( 1.221 -11.036 -9.874) 14.858 3.568 ( -2.467 7.477 7.816) 11.094 4.228 ( -0.227 3.045 10.383) 10.823 4.374 ( 3.625 -1.318 -1.245) 4.053 4.513 ( -0.870 -4.343 3.471) 5.628 4.687 ( -2.108 -0.992 -3.422) 4.140 5.092 ( 3.500 -3.534 2.963) 5.790 5.165 ( 1.317 2.787 0.204) 3.090 5.391 ( -2.224 0.117 4.678) 5.181 6.172 ( -3.197 0.939 -1.786) 3.781 6.669 ( 0.474 -13.570 -0.378) 13.584 6.872 ( -2.417 -10.862 -0.507) 11.139 7.289 ( -0.786 2.925 2.612) 3.999 7.416 ( -1.575 9.811 -1.753) 10.090 7.840 ( -5.971 7.511 4.268) 10.502 7.944 ( 4.631 10.271 -1.300) 11.341 8.342 ( 1.192 4.449 -4.098) 6.165 8.420 ( 5.472 0.484 -4.009) 6.800 10.052 ( 1.669 -5.661 1.546) 6.101 10.160 ( 8.370 -3.968 1.022) 9.319 10.319 ( -0.502 4.094 -1.811) 4.505 10.619 ( -4.328 1.400 0.573) 4.585 10.767 ( -3.578 -6.644 5.748) 9.486 11.020 ( -2.020 3.696 4.623) 6.254 11.161 ( 0.269 -0.425 -4.599) 4.627 11.462 ( 0.191 2.161 -6.216) 6.584 12.555 ( 0.324 -1.018 -2.312) 2.547 14.400 ( -1.062 -1.259 0.306) 1.676 14.928 ( -0.485 0.960 5.393) 5.499 ======================= Grid point 437 (223/275) ======================= q-point: ( 0.22 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 0.083 0.000 -0.775) 0.779 2.358 ( 1.422 0.000 17.288) 17.346 2.796 ( 0.376 0.000 8.044) 8.053 2.852 ( 6.063 0.000 0.799) 6.116 3.000 ( 0.467 0.000 3.288) 3.321 3.557 ( -18.618 -0.000 2.032) 18.729 3.931 ( 8.005 0.000 0.507) 8.021 4.123 ( -16.864 -0.000 -1.645) 16.944 4.493 ( 1.223 0.000 -5.976) 6.100 4.618 ( -7.407 -0.000 0.863) 7.457 4.935 ( 4.142 0.000 3.296) 5.294 5.047 ( -3.196 -0.000 10.052) 10.548 5.155 ( 9.671 0.000 -7.129) 12.015 6.134 ( -6.690 -0.000 2.538) 7.155 6.785 ( -11.009 -0.000 -1.343) 11.091 6.896 ( 9.952 0.000 1.846) 10.122 7.013 ( -7.455 -0.000 0.498) 7.472 7.438 ( 6.253 0.000 0.625) 6.284 7.867 ( 7.182 0.000 7.447) 10.346 8.472 ( 9.266 0.000 3.911) 10.058 8.719 ( -0.785 -0.000 -2.452) 2.575 8.957 ( 4.936 0.000 -7.353) 8.856 9.689 ( -8.770 -0.000 -2.182) 9.037 10.032 ( -2.070 -0.000 -6.600) 6.917 10.583 ( 4.109 0.000 5.798) 7.107 10.609 ( -3.581 -0.000 1.491) 3.879 10.936 ( -3.510 -0.000 -7.897) 8.642 11.001 ( 3.845 0.000 9.743) 10.474 11.457 ( 22.266 0.000 1.985) 22.355 11.670 ( -3.266 -0.000 -3.715) 4.946 12.052 ( -10.681 -0.000 -9.251) 14.130 14.508 ( 4.794 0.000 5.576) 7.354 14.736 ( -6.278 -0.000 4.442) 7.691 ======================= Grid point 438 (224/275) ======================= q-point: ( 0.33 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 2.604 1.500 3.671) 4.744 2.431 ( 2.194 -0.450 13.127) 13.316 2.820 ( -3.529 -4.890 6.414) 8.803 2.867 ( 0.654 7.094 -5.300) 8.879 3.115 ( 8.024 -1.041 16.979) 18.808 3.286 ( -14.119 -2.698 -2.095) 14.527 3.826 ( -17.113 -1.447 -4.848) 17.845 4.015 ( 1.954 -0.759 -1.810) 2.769 4.506 ( 1.720 -1.246 -6.446) 6.787 4.529 ( -5.415 -1.429 4.018) 6.893 4.908 ( -5.934 -0.326 8.235) 10.155 5.127 ( 8.594 3.264 5.289) 10.606 5.315 ( 11.613 0.781 -6.026) 13.107 6.058 ( -3.564 -1.677 -1.222) 4.124 6.618 ( -12.326 -4.817 -0.459) 13.242 6.897 ( -7.535 -1.736 -0.205) 7.735 7.045 ( 10.322 4.720 3.552) 11.893 7.518 ( 3.608 0.634 0.948) 3.784 8.012 ( 3.540 -5.562 8.969) 11.132 8.546 ( 4.023 9.773 2.770) 10.925 8.740 ( 0.349 -4.742 0.719) 4.809 8.946 ( -1.940 -0.004 -6.472) 6.756 9.582 ( -0.816 4.012 -1.456) 4.345 9.975 ( -2.246 0.879 -7.449) 7.830 10.535 ( -4.225 0.147 4.400) 6.101 10.691 ( 2.144 -4.233 5.003) 6.895 10.845 ( -4.748 -0.193 -8.582) 9.810 11.082 ( 3.110 0.574 8.567) 9.132 11.511 ( -14.203 -0.593 -3.789) 14.712 11.826 ( 21.407 -0.044 -0.342) 21.409 11.911 ( -2.364 1.313 -11.589) 11.900 14.561 ( 1.216 5.492 5.381) 7.784 14.692 ( -1.924 -5.257 5.220) 7.655 ======================= Grid point 439 (225/275) ======================= q-point: (-0.56 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 1.404 3.995 5.254) 6.748 2.498 ( 1.720 -0.366 6.785) 7.009 2.719 ( -5.162 7.859 -3.022) 9.877 2.830 ( -3.870 -5.143 2.296) 6.834 3.021 ( -16.083 0.426 5.647) 17.051 3.411 ( 10.908 -6.438 10.391) 16.383 3.667 ( -3.376 -5.936 -2.882) 7.412 4.035 ( 0.302 -2.005 -1.383) 2.454 4.487 ( -4.059 -2.166 4.651) 6.542 4.539 ( 1.155 -3.425 -6.522) 7.457 4.843 ( -4.348 -0.102 6.804) 8.075 5.232 ( 9.111 6.687 4.405) 12.130 5.440 ( 6.573 2.511 -3.268) 7.758 6.059 ( 1.179 -3.549 -3.828) 5.351 6.485 ( -13.442 -9.288 0.445) 16.345 6.805 ( -7.085 -3.308 -1.581) 7.977 7.145 ( 8.752 7.302 3.620) 11.959 7.557 ( 2.822 1.244 0.847) 3.199 8.115 ( -4.403 -8.846 9.364) 13.613 8.477 ( 1.804 11.749 2.239) 12.096 8.694 ( -4.859 3.397 -1.848) 6.210 8.972 ( 3.507 -1.483 -0.241) 3.815 9.569 ( 5.170 4.386 -0.764) 6.823 9.900 ( -2.256 2.099 -6.687) 7.362 10.496 ( -4.841 -4.227 4.469) 7.828 10.711 ( -5.253 -0.786 -4.049) 6.679 10.789 ( -1.042 -3.205 0.241) 3.379 11.114 ( -1.438 2.004 6.086) 6.566 11.285 ( -10.509 -1.786 -3.981) 11.379 11.831 ( -0.975 2.712 -12.245) 12.580 12.145 ( 16.464 -0.536 -0.702) 16.488 14.499 ( -1.994 4.457 4.161) 6.415 14.774 ( 2.026 -4.074 6.179) 7.673 ======================= Grid point 440 (226/275) ======================= q-point: (-0.44 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -3.095 6.154 5.938) 9.094 2.500 ( -0.686 9.697 4.216) 10.596 2.576 ( -3.716 -3.870 -5.681) 7.814 2.770 ( -12.686 -0.608 3.184) 13.093 2.835 ( -5.199 -6.442 -1.188) 8.363 3.613 ( 1.231 -9.669 3.675) 10.416 3.848 ( 15.326 -2.630 8.541) 17.741 4.086 ( 1.396 -4.690 3.366) 5.939 4.454 ( -4.885 -2.610 4.087) 6.884 4.574 ( 0.388 -3.840 -6.918) 7.922 4.825 ( -0.104 -1.599 3.648) 3.985 5.295 ( 7.839 9.353 3.807) 12.783 5.464 ( 1.708 3.000 -1.283) 3.683 6.136 ( 3.121 -4.529 -2.814) 6.178 6.381 ( -13.972 -12.140 1.184) 18.547 6.722 ( -6.283 -2.827 -4.194) 8.066 7.195 ( 5.115 5.219 2.632) 7.767 7.605 ( 5.074 1.513 0.124) 5.296 8.096 ( -10.144 -4.963 7.296) 13.445 8.360 ( -3.304 5.845 0.999) 6.788 8.604 ( 2.736 10.337 -1.450) 10.791 8.984 ( 0.547 8.235 2.731) 8.693 9.659 ( 9.484 0.465 0.366) 9.502 9.848 ( -1.059 -1.103 -4.136) 4.409 10.475 ( -5.701 -4.835 3.118) 8.100 10.611 ( -5.374 -1.121 -6.476) 8.489 10.789 ( -4.400 -2.889 3.216) 6.169 11.025 ( -5.266 -0.710 -1.265) 5.462 11.230 ( -0.365 0.352 2.356) 2.410 11.743 ( -1.853 3.563 -11.790) 12.455 12.364 ( 9.916 -0.830 -1.029) 10.003 14.442 ( -1.119 3.131 3.209) 4.621 14.857 ( 1.554 -2.712 6.150) 6.899 ======================= Grid point 441 (227/275) ======================= q-point: (-0.33 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -2.479 5.171 8.950) 10.629 2.362 ( -1.900 10.251 5.627) 11.847 2.564 ( -7.899 -9.294 -5.528) 13.392 2.696 ( 1.515 -3.323 -2.742) 4.567 2.800 ( -5.416 -4.410 -5.219) 8.719 3.709 ( 0.113 -3.289 5.500) 6.409 4.132 ( 10.329 -4.087 4.568) 12.011 4.190 ( 3.532 -3.568 11.397) 12.454 4.410 ( -5.406 -3.866 3.073) 7.322 4.603 ( 0.600 -3.720 -6.580) 7.582 4.893 ( 3.473 -3.867 0.618) 5.234 5.305 ( 5.045 9.679 3.636) 11.505 5.447 ( 0.215 2.449 -0.115) 2.461 6.219 ( 1.523 -2.824 0.447) 3.239 6.309 ( -10.606 -12.692 1.551) 16.613 6.652 ( -5.055 -4.881 -6.623) 9.656 7.224 ( 2.053 0.868 1.611) 2.750 7.693 ( 8.744 3.043 -1.469) 9.374 7.937 ( -11.214 2.630 4.532) 12.378 8.305 ( -3.134 -3.061 1.447) 4.614 8.505 ( 4.093 17.025 -3.162) 17.793 8.833 ( -2.258 16.706 3.096) 17.140 9.854 ( 10.333 -3.124 2.595) 11.103 9.869 ( 1.187 -4.993 -2.580) 5.744 10.425 ( -5.944 -2.901 1.394) 6.759 10.541 ( -3.985 -3.148 -5.469) 7.463 10.747 ( -4.372 -1.897 4.524) 6.571 10.999 ( -0.667 -3.377 -1.920) 3.942 11.220 ( -0.400 2.338 3.065) 3.876 11.634 ( -2.376 4.318 -10.588) 11.679 12.484 ( 4.165 -1.178 -1.118) 4.470 14.409 ( -0.645 1.867 2.334) 3.057 14.913 ( 0.493 -1.529 5.857) 6.073 ======================= Grid point 442 (228/275) ======================= q-point: (-0.22 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 6.722 2.324 10.925) 13.036 2.268 ( -0.921 6.217 9.383) 11.293 2.533 ( -4.066 -5.308 -5.356) 8.567 2.704 ( -5.440 -3.621 -7.362) 9.844 2.820 ( 2.791 -8.047 -6.300) 10.594 3.705 ( -2.429 3.559 7.737) 8.856 4.231 ( -2.770 -3.961 9.165) 10.362 4.352 ( 8.664 0.623 1.954) 8.903 4.400 ( -2.688 -6.089 2.716) 7.189 4.631 ( -1.139 -3.763 -3.081) 4.995 4.991 ( 1.450 -5.287 -0.921) 5.559 5.276 ( 1.385 7.314 2.517) 7.858 5.411 ( -2.207 1.915 2.122) 3.612 6.215 ( 0.098 2.447 2.395) 3.425 6.384 ( 1.143 -12.951 -0.857) 13.029 6.643 ( -4.443 -10.237 -3.957) 11.840 7.256 ( 0.700 -2.065 1.222) 2.500 7.676 ( -4.079 12.734 -0.251) 13.374 7.864 ( 4.373 -2.999 0.867) 5.373 8.224 ( -4.813 8.418 2.781) 10.088 8.450 ( 8.596 7.013 -7.520) 13.402 8.615 ( -0.864 18.151 2.504) 18.344 9.928 ( -0.180 -6.307 0.051) 6.310 10.071 ( 8.437 -4.213 -0.558) 9.447 10.368 ( -2.508 -0.201 -0.471) 2.560 10.521 ( -3.976 -6.543 -1.664) 7.835 10.720 ( -2.275 -0.585 6.418) 6.835 11.046 ( 2.158 -2.391 -1.285) 3.468 11.180 ( -1.435 3.183 1.964) 4.006 11.531 ( -1.094 4.025 -8.412) 9.390 12.527 ( -0.066 -1.440 -1.280) 1.928 14.388 ( -1.056 0.583 1.887) 2.239 14.937 ( -0.589 -0.417 5.512) 5.559 ======================= Grid point 443 (229/275) ======================= q-point: (-0.11 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 1.894 2.363 12.848) 13.200 2.301 ( 9.765 0.886 5.181) 11.090 2.493 ( -1.458 0.523 -2.364) 2.826 2.665 ( -3.167 -5.982 -3.268) 7.516 2.938 ( 2.317 -8.436 -7.811) 11.728 3.620 ( -3.161 5.981 8.567) 10.916 4.216 ( -4.587 0.005 9.297) 10.367 4.420 ( 0.239 -4.380 -3.515) 5.621 4.469 ( 0.918 -1.508 4.436) 4.774 4.634 ( -0.383 -2.540 -2.202) 3.384 5.033 ( -2.510 -5.299 -1.841) 6.146 5.180 ( -5.190 5.997 -0.583) 7.952 5.347 ( -5.097 0.781 5.546) 7.573 6.244 ( 7.285 4.104 1.942) 8.584 6.533 ( -2.543 -11.367 -0.756) 11.672 6.728 ( 3.216 -11.864 -0.861) 12.322 7.300 ( 1.135 -2.403 1.568) 3.086 7.447 ( -7.029 11.176 -1.077) 13.247 7.876 ( -2.724 9.185 6.629) 11.650 8.156 ( 8.812 6.959 -3.832) 11.865 8.459 ( 4.635 8.562 -2.814) 10.135 8.557 ( 9.651 3.631 -4.280) 11.164 9.989 ( -1.469 -7.297 -0.584) 7.467 10.148 ( -4.329 -4.443 -6.265) 8.816 10.404 ( 8.318 1.132 0.376) 8.403 10.527 ( -3.368 -4.484 2.587) 6.176 10.729 ( 0.843 -0.235 7.507) 7.558 11.051 ( -1.425 4.867 5.101) 7.193 11.152 ( 0.473 -0.414 -4.296) 4.341 11.495 ( 3.222 1.254 -5.783) 6.738 12.509 ( -3.672 -1.498 -1.781) 4.347 14.374 ( -1.260 -0.562 2.092) 2.506 14.932 ( -1.779 0.526 5.177) 5.499 ======================= Grid point 447 (230/275) ======================= q-point: ( 0.33 -0.67 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 3.481 0.000 5.304) 6.344 2.487 ( 0.708 0.000 11.398) 11.420 2.697 ( -8.680 -0.000 0.101) 8.680 2.889 ( -3.459 -0.000 -0.475) 3.491 3.088 ( -6.225 -0.000 0.114) 6.226 3.264 ( -1.487 -0.000 11.588) 11.683 3.601 ( 0.787 0.000 -2.044) 2.190 4.016 ( -0.078 -0.000 -2.544) 2.545 4.420 ( -5.699 -0.000 5.946) 8.236 4.542 ( 2.516 0.000 -6.795) 7.246 4.839 ( -4.705 -0.000 6.559) 8.072 5.310 ( 9.447 0.000 6.350) 11.383 5.468 ( 7.242 0.000 -3.981) 8.264 6.020 ( 1.096 0.000 -4.642) 4.769 6.377 ( -13.812 -0.000 0.783) 13.834 6.759 ( -7.465 -0.000 -1.585) 7.631 7.255 ( 10.025 0.000 5.290) 11.335 7.570 ( 2.134 0.000 1.656) 2.701 7.992 ( -4.629 -0.000 7.833) 9.098 8.643 ( -7.241 -0.000 5.359) 9.008 8.724 ( 5.597 0.000 -2.166) 6.001 8.931 ( 5.016 0.000 -1.694) 5.295 9.639 ( 4.706 0.000 -1.910) 5.079 9.909 ( -3.631 -0.000 -7.979) 8.766 10.458 ( -5.931 -0.000 5.131) 7.843 10.705 ( -0.519 -0.000 4.689) 4.718 10.739 ( -5.012 -0.000 -9.074) 10.366 11.137 ( -1.685 -0.000 6.003) 6.235 11.265 ( -10.288 -0.000 -3.215) 10.779 11.861 ( -1.124 -0.000 -12.688) 12.738 12.139 ( 16.491 0.000 -0.705) 16.506 14.574 ( -4.246 -0.000 4.401) 6.116 14.704 ( 4.250 0.000 6.407) 7.689 ======================= Grid point 449 (231/275) ======================= q-point: (-0.56 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -1.386 4.317 3.607) 5.794 2.474 ( -6.156 -0.816 2.329) 6.632 2.612 ( -3.858 -5.166 -2.031) 6.760 2.776 ( -8.799 0.449 5.743) 10.517 2.911 ( -3.391 14.983 1.080) 15.400 3.318 ( -0.953 -15.634 -0.891) 15.688 3.815 ( 16.551 -0.654 10.578) 19.653 4.022 ( 0.721 -1.531 -0.076) 1.694 4.362 ( -6.178 -3.458 7.691) 10.454 4.559 ( 2.505 0.701 -8.515) 8.904 4.798 ( -2.034 -0.789 3.095) 3.787 5.455 ( 8.860 4.430 6.502) 11.850 5.515 ( 0.964 1.473 -1.593) 2.374 6.062 ( 3.643 -2.255 -5.546) 7.009 6.182 ( -13.720 -5.120 1.328) 14.704 6.651 ( -6.855 -2.243 -3.027) 7.822 7.361 ( 5.397 6.774 3.796) 9.456 7.620 ( 4.199 0.557 3.040) 5.214 7.935 ( -8.030 -6.942 6.181) 12.283 8.471 ( -10.257 2.916 1.200) 10.731 8.814 ( 9.774 7.212 -0.214) 12.149 9.058 ( 7.019 -0.122 3.800) 7.982 9.712 ( 7.314 2.991 -2.007) 8.152 9.820 ( -5.516 -1.532 -7.308) 9.283 10.393 ( -4.919 -2.030 4.884) 7.223 10.616 ( -5.152 1.916 -5.982) 8.124 10.699 ( -5.161 -4.736 0.601) 7.030 11.011 ( -8.205 -0.464 -2.852) 8.699 11.243 ( 1.547 0.509 5.236) 5.483 11.798 ( -1.621 1.383 -12.677) 12.855 12.351 ( 9.741 -0.316 -0.726) 9.773 14.517 ( -1.856 2.878 4.203) 5.421 14.791 ( 2.242 -2.574 6.239) 7.112 ======================= Grid point 450 (232/275) ======================= q-point: (-0.44 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -4.830 5.663 5.102) 9.023 2.383 ( -6.333 -6.410 -6.873) 11.333 2.598 ( -1.073 2.589 -2.213) 3.570 2.681 ( -1.320 4.827 4.214) 6.542 2.756 ( -2.214 4.945 1.148) 5.538 3.494 ( 0.540 -15.037 2.169) 15.202 4.059 ( 3.329 -2.694 3.265) 5.385 4.130 ( 12.548 -2.208 11.818) 17.378 4.323 ( -6.350 -3.835 7.020) 10.214 4.563 ( 1.513 0.250 -8.506) 8.643 4.818 ( 1.634 -2.895 -1.318) 3.576 5.475 ( -1.355 3.400 2.005) 4.173 5.538 ( 6.621 7.415 3.184) 10.439 6.058 ( -10.647 -9.024 0.855) 13.982 6.144 ( 3.227 -4.415 -1.626) 5.705 6.559 ( -6.981 -3.083 -4.861) 9.048 7.336 ( 1.656 7.642 1.861) 8.038 7.695 ( 4.072 -0.134 2.445) 4.751 7.935 ( -2.613 -5.202 5.232) 7.827 8.292 ( -7.670 2.113 -0.745) 7.990 8.854 ( 8.567 14.361 -0.300) 16.725 9.113 ( 2.448 8.124 5.219) 9.961 9.749 ( -4.892 -6.130 -4.486) 9.035 9.822 ( 9.203 0.595 -2.459) 9.545 10.353 ( -4.859 -2.387 3.708) 6.561 10.513 ( -4.019 -0.063 -5.503) 6.814 10.667 ( -4.865 -5.130 1.141) 7.161 10.929 ( -2.929 -2.628 -2.824) 4.843 11.267 ( 0.907 1.743 5.453) 5.796 11.714 ( -1.898 2.761 -11.887) 12.350 12.463 ( 3.838 -0.703 -0.388) 3.921 14.473 ( -0.805 3.513 3.694) 5.161 14.860 ( 0.594 -2.941 6.023) 6.729 ======================= Grid point 451 (233/275) ======================= q-point: (-0.33 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 4.056 2.585 7.115) 8.588 2.389 ( 0.077 -6.627 -9.012) 11.187 2.484 ( -0.628 12.433 3.653) 12.973 2.647 ( -3.641 -1.031 -3.920) 5.448 2.725 ( 1.357 -1.085 0.216) 1.750 3.636 ( -1.975 -10.449 5.471) 11.959 4.140 ( 0.529 -4.653 6.354) 7.894 4.275 ( -5.884 -3.536 4.090) 7.991 4.361 ( 9.700 -0.589 8.395) 12.842 4.561 ( -0.263 -1.648 -6.168) 6.390 4.881 ( 0.751 -4.818 -4.214) 6.445 5.415 ( -2.363 3.449 4.063) 5.830 5.518 ( 1.212 9.440 0.626) 9.538 6.083 ( 0.732 -12.141 0.783) 12.188 6.253 ( 4.429 -3.422 3.087) 6.392 6.464 ( -7.494 -4.433 -6.269) 10.729 7.289 ( 0.908 5.076 0.735) 5.208 7.767 ( 0.301 -3.605 1.659) 3.980 7.932 ( 3.044 8.321 0.459) 8.872 8.216 ( -2.498 -4.140 1.676) 5.117 8.775 ( 4.959 18.296 -4.089) 19.393 9.001 ( -0.650 15.693 5.040) 16.495 9.765 ( -3.093 -8.998 -1.745) 9.674 9.977 ( 7.186 -4.183 -3.814) 9.148 10.314 ( -3.592 -2.584 3.541) 5.667 10.456 ( -1.925 -0.714 -3.956) 4.457 10.668 ( -2.080 -4.266 3.460) 5.874 10.958 ( 2.283 -4.692 -3.023) 6.030 11.259 ( -0.482 3.322 5.498) 6.442 11.620 ( -1.420 3.820 -10.382) 11.153 12.498 ( -0.548 -1.170 -0.164) 1.303 14.431 ( -1.073 3.199 3.315) 4.730 14.905 ( -0.628 -2.484 5.746) 6.292 ======================= Grid point 452 (234/275) ======================= q-point: (-0.22 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 10.707 1.807 5.152) 12.019 2.369 ( 0.672 8.250 3.044) 8.819 2.465 ( 4.310 -3.237 -1.100) 5.501 2.572 ( -4.247 -1.682 -3.345) 5.661 2.798 ( 4.021 -4.022 -3.843) 6.864 3.673 ( -4.624 -3.264 7.758) 9.603 4.190 ( -1.517 -1.165 8.929) 9.131 4.254 ( -4.490 -8.563 -1.035) 9.724 4.479 ( 0.189 -0.198 4.596) 4.604 4.569 ( 2.078 -2.194 -4.003) 5.016 4.914 ( -1.513 -5.560 -4.172) 7.114 5.329 ( -4.404 6.011 3.770) 8.351 5.405 ( -3.646 5.971 0.654) 7.026 6.301 ( 4.203 -10.354 1.046) 11.223 6.346 ( 6.648 4.495 1.211) 8.116 6.449 ( 0.507 -13.590 -2.403) 13.810 7.264 ( 0.249 1.302 -0.032) 1.326 7.678 ( -6.536 8.428 -1.274) 10.741 7.969 ( 5.373 1.450 3.577) 6.615 8.261 ( 4.320 1.026 0.607) 4.481 8.655 ( 4.149 12.227 -6.840) 14.612 8.830 ( 1.748 17.512 2.967) 17.847 9.808 ( -3.926 -9.479 -0.640) 10.280 10.051 ( -4.029 -5.083 -7.488) 9.906 10.343 ( 1.295 -4.911 4.369) 6.699 10.474 ( 5.533 0.100 -0.741) 5.583 10.709 ( 1.104 -2.657 5.263) 5.999 11.062 ( 4.646 -3.795 -3.546) 6.969 11.206 ( -2.234 5.058 5.564) 7.844 11.545 ( 0.666 3.197 -8.086) 8.720 12.473 ( -4.218 -1.649 -0.443) 4.551 14.389 ( -1.419 2.174 3.345) 4.234 14.923 ( -1.699 -1.505 5.400) 5.857 ======================= Grid point 453 (235/275) ======================= q-point: (-0.11 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -0.426 6.156 8.089) 10.174 2.345 ( -1.178 1.341 -6.635) 6.871 2.571 ( 0.397 -4.803 -1.033) 4.929 2.668 ( 13.662 0.915 9.633) 16.742 2.912 ( 5.782 -4.113 -4.305) 8.299 3.631 ( -2.714 0.892 7.943) 8.441 4.157 ( -6.236 1.173 6.755) 9.268 4.280 ( -5.015 -9.056 -1.769) 10.502 4.421 ( -6.214 -3.010 0.263) 6.910 4.661 ( 6.142 -1.615 -0.546) 6.374 4.944 ( -0.172 -4.254 -3.404) 5.451 5.159 ( -6.398 8.373 -1.480) 10.641 5.286 ( -6.524 3.356 5.472) 9.152 6.341 ( -5.179 -9.193 -2.352) 10.810 6.447 ( 8.527 5.628 4.709) 11.250 6.724 ( 10.757 -11.932 -1.575) 16.142 7.272 ( -0.780 -3.373 -1.001) 3.604 7.455 ( -6.096 10.925 -0.392) 12.517 7.975 ( 0.410 8.746 7.231) 11.356 8.337 ( 7.317 4.341 -2.381) 8.835 8.620 ( 5.499 5.584 -4.257) 8.919 8.760 ( 7.466 8.215 -2.054) 11.289 9.826 ( -7.003 -9.381 -2.353) 11.941 9.968 ( -7.547 -5.048 -5.852) 10.802 10.443 ( 2.071 -4.697 5.087) 7.227 10.613 ( 10.576 1.018 -1.824) 10.780 10.798 ( 6.584 -0.671 5.610) 8.676 11.100 ( -2.055 6.088 6.937) 9.456 11.142 ( 0.575 -0.296 -4.955) 4.997 11.552 ( 4.571 0.004 -5.533) 7.177 12.390 ( -8.342 -1.920 -1.567) 8.702 14.365 ( -0.584 0.610 3.818) 3.911 14.909 ( -2.860 -0.212 5.020) 5.781 ======================= Grid point 458 (236/275) ======================= q-point: ( 0.44 -0.56 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -1.649 -0.000 -6.676) 6.877 2.300 ( -12.508 -0.000 3.191) 12.908 2.561 ( 1.116 0.000 -1.409) 1.797 2.719 ( -1.482 -0.000 6.220) 6.394 3.020 ( -1.397 -0.000 4.869) 5.066 3.190 ( 1.436 0.000 -4.299) 4.532 4.021 ( -0.365 -0.000 2.994) 3.016 4.106 ( 14.759 0.000 12.635) 19.429 4.276 ( -4.419 -0.000 7.537) 8.736 4.578 ( 2.103 0.000 -9.039) 9.280 4.782 ( 0.257 0.000 -1.526) 1.547 5.507 ( -2.022 -0.000 -0.088) 2.024 5.638 ( 8.044 0.000 7.298) 10.861 5.963 ( -9.827 -0.000 1.510) 9.942 6.073 ( 0.960 0.000 -5.180) 5.268 6.528 ( -5.585 -0.000 -3.893) 6.808 7.440 ( 0.015 0.000 1.009) 1.009 7.764 ( 9.805 0.000 6.697) 11.874 7.778 ( -6.407 -0.000 4.451) 7.802 8.328 ( -8.636 -0.000 -1.997) 8.864 9.040 ( 11.427 0.000 2.133) 11.624 9.188 ( 6.425 0.000 5.552) 8.491 9.660 ( -9.702 -0.000 -7.150) 12.052 9.844 ( 7.134 0.000 -3.768) 8.068 10.329 ( -3.074 -0.000 4.463) 5.419 10.544 ( -7.661 -0.000 2.211) 7.974 10.568 ( -1.995 -0.000 -7.544) 7.804 10.900 ( -4.116 -0.000 -2.818) 4.988 11.287 ( 1.233 0.000 6.018) 6.143 11.744 ( -1.714 -0.000 -12.260) 12.379 12.456 ( 3.715 0.000 -0.110) 3.717 14.522 ( -1.033 -0.000 4.318) 4.440 14.819 ( 0.801 0.000 5.964) 6.018 ======================= Grid point 460 (237/275) ======================= q-point: (-0.44 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 0.463 1.545 3.219) 3.601 2.279 ( 3.141 -2.956 -10.821) 11.649 2.577 ( -0.231 -0.757 -1.492) 1.689 2.721 ( 0.408 1.056 4.533) 4.672 2.878 ( -1.149 16.752 2.644) 16.998 3.321 ( -1.130 -16.649 0.832) 16.708 4.025 ( -3.082 -3.988 5.879) 7.743 4.250 ( -1.854 -0.191 6.294) 6.564 4.341 ( 9.507 -0.742 10.739) 14.362 4.573 ( 1.237 1.762 -8.382) 8.654 4.789 ( -0.694 -3.115 -5.704) 6.537 5.464 ( -2.449 1.328 1.719) 3.274 5.732 ( 3.940 8.016 5.078) 10.275 5.885 ( -0.310 -4.736 -0.157) 4.748 6.100 ( -0.860 -7.656 -0.966) 7.764 6.446 ( -2.891 0.516 -3.883) 4.868 7.412 ( -0.155 4.220 0.417) 4.243 7.725 ( 0.300 0.154 3.366) 3.383 7.979 ( 10.189 -3.037 6.352) 12.385 8.182 ( -7.383 1.245 -4.074) 8.524 9.141 ( 7.476 13.635 0.467) 15.557 9.238 ( 0.490 6.287 5.687) 8.492 9.543 ( -6.732 -10.786 -4.613) 13.525 9.918 ( 2.984 -1.037 -6.525) 7.250 10.301 ( -1.788 0.757 4.234) 4.658 10.450 ( -2.631 0.079 0.927) 2.791 10.563 ( -0.543 -4.140 -3.210) 5.267 10.877 ( 1.293 -2.212 -2.561) 3.623 11.309 ( 0.185 1.214 6.243) 6.363 11.680 ( -1.336 1.523 -11.245) 11.426 12.480 ( -0.899 -0.442 0.558) 1.147 14.503 ( -1.072 2.524 4.276) 5.080 14.847 ( -0.630 -2.109 5.751) 6.158 ======================= Grid point 461 (238/275) ======================= q-point: (-0.33 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 11.591 0.531 2.506) 11.871 2.376 ( 7.915 -3.241 -8.990) 12.409 2.552 ( -1.127 1.440 -0.430) 1.878 2.665 ( -2.442 13.339 3.681) 14.051 2.766 ( 3.449 1.809 0.504) 3.927 3.462 ( -3.507 -14.729 4.299) 15.739 4.042 ( -4.517 -8.026 4.354) 10.187 4.236 ( -0.991 1.915 6.233) 6.596 4.446 ( -2.774 -0.907 2.889) 4.107 4.568 ( 4.647 1.033 -3.873) 6.137 4.798 ( -0.967 -5.068 -5.808) 7.769 5.409 ( -3.010 2.562 3.908) 5.559 5.607 ( -4.165 10.796 0.412) 11.579 6.083 ( 11.419 -8.822 -0.111) 14.431 6.172 ( -3.879 -11.478 -0.369) 12.122 6.427 ( 4.789 2.524 -0.649) 5.452 7.358 ( 0.017 5.833 0.122) 5.834 7.766 ( 1.879 1.085 0.478) 2.222 8.032 ( -2.515 3.277 -1.290) 4.328 8.209 ( 9.211 -3.830 3.919) 10.717 8.981 ( -3.027 15.674 -4.302) 16.533 9.161 ( 0.518 11.864 3.607) 12.411 9.596 ( -3.007 -9.793 0.396) 10.252 9.923 ( -4.746 -6.097 -9.205) 12.018 10.292 ( 0.861 0.381 4.693) 4.786 10.476 ( 5.629 -0.253 0.317) 5.644 10.619 ( 1.637 -4.990 1.079) 5.361 10.969 ( 5.949 -3.849 -2.951) 7.676 11.297 ( -1.137 2.976 6.966) 7.660 11.613 ( -0.397 2.618 -9.941) 10.288 12.443 ( -4.831 -1.078 0.740) 5.004 14.459 ( -1.346 3.734 4.339) 5.880 14.871 ( -1.749 -2.920 5.503) 6.471 ======================= Grid point 462 (239/275) ======================= q-point: (-0.22 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 0.253 2.864 -4.355) 5.218 2.479 ( 1.406 7.223 0.303) 7.365 2.520 ( 2.260 3.835 0.464) 4.476 2.658 ( 12.511 -1.795 6.937) 14.418 2.855 ( 8.677 -1.009 -1.842) 8.927 3.547 ( -3.445 -9.196 6.861) 11.979 4.070 ( -4.538 -9.570 -0.497) 10.603 4.201 ( -2.788 3.194 4.821) 6.420 4.346 ( -8.949 -3.229 -1.908) 9.703 4.636 ( 3.356 -1.122 -0.901) 3.652 4.854 ( 2.938 -3.673 -1.889) 5.069 5.310 ( -6.037 5.068 4.094) 8.882 5.420 ( -4.885 8.998 -0.825) 10.272 6.163 ( -4.782 -7.723 -2.458) 9.411 6.424 ( 11.287 -12.002 -0.589) 16.486 6.551 ( 11.731 0.849 2.714) 12.070 7.283 ( -2.111 4.775 -1.100) 5.335 7.665 ( -5.564 8.235 -3.464) 10.525 8.066 ( 5.164 -0.166 5.548) 7.582 8.393 ( 9.378 0.582 2.313) 9.676 8.770 ( -3.147 9.304 -6.481) 11.767 9.027 ( 0.470 13.514 0.420) 13.529 9.624 ( -5.367 -8.012 0.491) 9.656 9.856 ( -8.123 -6.078 -6.865) 12.250 10.358 ( 4.184 -2.281 4.902) 6.837 10.613 ( 8.994 -0.777 -2.816) 9.457 10.740 ( 6.974 -4.453 5.219) 9.783 11.095 ( 5.452 -2.626 -4.962) 7.826 11.242 ( -2.511 5.396 7.713) 9.742 11.573 ( 1.969 1.773 -7.643) 8.089 12.348 ( -9.021 -1.803 0.011) 9.199 14.412 ( -0.762 3.546 4.635) 5.886 14.879 ( -2.716 -2.532 5.122) 6.326 ======================= Grid point 463 (240/275) ======================= q-point: (-0.11 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -3.529 4.198 -3.968) 6.769 2.401 ( 0.439 5.812 5.114) 7.754 2.582 ( 3.644 0.055 1.587) 3.974 2.844 ( 7.446 -0.928 3.977) 8.493 3.038 ( 8.995 0.497 3.345) 9.610 3.613 ( 1.265 -4.121 6.439) 7.748 4.022 ( -11.087 -0.453 -7.286) 13.274 4.128 ( -3.485 -5.224 3.234) 7.064 4.299 ( -1.707 -4.005 0.567) 4.390 4.710 ( 2.129 -4.615 2.218) 5.545 4.937 ( 3.534 -1.116 0.143) 3.709 5.135 ( -6.727 7.075 -0.880) 9.802 5.251 ( -5.696 6.927 1.029) 9.027 6.183 ( -1.957 -7.020 -2.195) 7.611 6.639 ( 8.490 1.289 2.888) 9.060 6.781 ( 8.622 -6.322 -0.941) 10.733 7.207 ( -2.875 -1.740 -2.918) 4.451 7.476 ( -4.439 8.481 -0.319) 9.578 8.107 ( 1.999 8.402 6.041) 10.539 8.487 ( 4.711 5.371 2.269) 7.496 8.684 ( 0.362 -1.461 -6.592) 6.762 8.936 ( 3.290 7.623 -1.179) 8.386 9.597 ( -7.696 -6.747 -2.832) 10.619 9.793 ( -4.730 -5.777 -1.826) 7.686 10.481 ( 5.222 -2.848 4.731) 7.600 10.727 ( 4.641 -0.993 -1.161) 4.886 10.946 ( 8.035 -3.010 -0.130) 8.581 11.144 ( -3.330 7.067 7.779) 11.024 11.188 ( 9.729 0.716 -3.641) 10.412 11.607 ( 4.461 -0.760 -5.381) 7.030 12.186 ( -13.345 -2.291 -1.900) 13.673 14.392 ( 0.648 2.082 5.008) 5.462 14.863 ( -3.359 -1.244 4.749) 5.948 ======================= Grid point 469 (241/275) ======================= q-point: (-0.44 0.56 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 12.599 0.000 3.103) 12.975 2.337 ( 8.968 0.000 -11.923) 14.919 2.565 ( -0.898 -0.000 -0.323) 0.955 2.746 ( 0.384 0.000 4.453) 4.470 3.003 ( -1.581 -0.000 5.800) 6.011 3.158 ( -1.429 -0.000 -2.906) 3.238 3.946 ( -5.090 -0.000 6.841) 8.527 4.254 ( -0.465 -0.000 5.390) 5.410 4.446 ( -0.489 -0.000 4.361) 4.388 4.589 ( 1.306 0.000 -6.419) 6.551 4.727 ( 0.307 0.000 -5.541) 5.550 5.440 ( -2.380 -0.000 3.093) 3.903 5.779 ( -5.261 -0.000 1.888) 5.590 5.980 ( 12.403 0.000 0.152) 12.404 5.996 ( -3.404 -0.000 -1.249) 3.626 6.455 ( 4.054 0.000 -1.404) 4.291 7.434 ( -0.073 -0.000 0.093) 0.118 7.783 ( 5.902 0.000 3.881) 7.063 8.048 ( -7.547 -0.000 -6.717) 10.104 8.173 ( 11.861 0.000 6.525) 13.537 9.200 ( -13.309 -0.000 -1.384) 13.381 9.333 ( 1.114 0.000 2.154) 2.425 9.413 ( 7.192 0.000 0.143) 7.193 9.844 ( -7.728 -0.000 -9.158) 11.983 10.318 ( 1.108 0.000 4.617) 4.748 10.463 ( 4.074 0.000 5.798) 7.086 10.551 ( 2.934 0.000 -6.074) 6.745 10.924 ( 6.472 0.000 -2.103) 6.805 11.329 ( -0.717 -0.000 7.091) 7.127 11.643 ( -0.587 -0.000 -10.516) 10.532 12.431 ( -5.123 -0.000 1.229) 5.268 14.510 ( -1.192 -0.000 4.788) 4.934 14.830 ( -1.871 -0.000 5.445) 5.757 ======================= Grid point 471 (242/275) ======================= q-point: (-0.33 0.56 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 6.376 2.842 -5.019) 8.598 2.507 ( 7.207 2.194 -2.598) 7.969 2.593 ( 8.254 -4.094 3.777) 9.957 2.731 ( -2.087 5.417 3.446) 6.751 2.912 ( 4.932 8.720 2.098) 10.235 3.278 ( 2.006 -13.723 0.754) 13.889 3.908 ( -4.413 -4.431 4.712) 7.830 4.253 ( -0.955 0.623 4.804) 4.937 4.320 ( -10.998 0.881 -7.091) 13.115 4.601 ( 0.463 -1.576 -2.243) 2.780 4.800 ( 6.387 -1.243 0.559) 6.531 5.387 ( -4.600 1.990 4.235) 6.562 5.617 ( -7.396 7.520 -1.195) 10.615 5.994 ( -2.714 -7.004 -1.365) 7.634 6.221 ( 13.399 -5.077 -0.966) 14.361 6.563 ( 9.277 0.179 0.522) 9.293 7.403 ( -1.659 4.019 0.203) 4.352 7.827 ( -2.793 7.513 -4.828) 9.357 7.992 ( 4.569 -6.219 1.338) 7.832 8.385 ( 11.131 -0.452 6.415) 12.855 8.940 ( -12.628 4.232 -3.577) 13.790 9.278 ( -1.069 8.856 -3.039) 9.424 9.527 ( 0.884 -0.986 4.112) 4.320 9.698 ( -9.215 -7.454 -7.092) 13.812 10.356 ( 3.368 1.323 4.967) 6.145 10.595 ( 7.396 -0.406 -3.459) 8.175 10.633 ( 7.470 -4.383 3.661) 9.403 11.049 ( 8.123 -1.256 -3.494) 8.931 11.322 ( -1.457 1.891 8.092) 8.437 11.609 ( 0.646 1.086 -9.389) 9.473 12.319 ( -9.648 -0.775 1.122) 9.744 14.493 ( -0.396 2.958 5.241) 6.031 14.817 ( -3.027 -2.397 5.005) 6.321 ======================= Grid point 472 (243/275) ======================= q-point: (-0.22 -0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -3.471 5.246 -1.420) 6.449 2.555 ( -3.187 6.051 4.068) 7.958 2.646 ( 5.946 5.421 -0.818) 8.088 2.799 ( 9.117 -2.800 1.988) 9.742 3.022 ( 7.864 -1.747 3.426) 8.753 3.486 ( 8.335 -6.851 3.680) 11.400 3.918 ( -3.043 -6.260 0.090) 6.961 4.091 ( -10.563 0.375 -10.643) 15.000 4.260 ( -0.342 -0.541 4.141) 4.190 4.618 ( -1.244 -3.231 1.914) 3.956 4.919 ( 5.914 -0.533 2.680) 6.515 5.260 ( -7.770 4.237 2.922) 9.320 5.413 ( -6.854 7.191 -2.947) 10.362 6.041 ( 0.937 -5.904 -2.495) 6.478 6.498 ( 11.209 -8.523 -0.420) 14.088 6.741 ( 11.126 -0.960 0.996) 11.212 7.278 ( -6.074 6.720 -1.832) 9.242 7.647 ( -5.770 7.068 -4.679) 10.254 8.177 ( 7.987 -2.469 5.057) 9.771 8.550 ( 6.119 0.738 6.708) 9.110 8.705 ( -9.499 2.906 -6.179) 11.698 9.115 ( -3.933 8.584 -6.363) 11.386 9.493 ( -4.828 -2.272 1.134) 5.455 9.688 ( -1.895 -4.805 0.416) 5.182 10.433 ( 4.649 -1.051 4.659) 6.665 10.692 ( 5.232 -1.725 -3.329) 6.437 10.846 ( 7.497 -5.303 2.236) 9.452 11.193 ( 10.765 0.095 -3.122) 11.209 11.282 ( -1.076 4.666 6.259) 7.881 11.605 ( 2.853 0.397 -6.670) 7.265 12.140 ( -14.139 -1.773 -0.143) 14.251 14.469 ( 0.800 4.530 5.487) 7.161 14.808 ( -3.516 -3.515 4.508) 6.711 ======================= Grid point 473 (244/275) ======================= q-point: (-0.11 -0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -4.618 3.664 -1.991) 6.222 2.445 ( -3.681 3.767 5.308) 7.478 2.665 ( 2.503 4.259 1.642) 5.205 2.999 ( 11.551 -0.779 3.786) 12.181 3.132 ( 2.242 -0.544 6.317) 6.725 3.604 ( -4.533 0.338 2.761) 5.319 3.844 ( -4.233 -1.102 -10.057) 10.967 4.079 ( 5.684 -5.085 -0.643) 7.654 4.283 ( 1.486 -0.853 1.773) 2.466 4.657 ( -1.221 -6.679 5.699) 8.865 4.998 ( 1.298 1.256 6.249) 6.504 5.088 ( -6.547 5.132 -0.764) 8.354 5.240 ( -3.091 4.998 -6.195) 8.539 6.135 ( 4.425 -3.766 -2.409) 6.290 6.745 ( 8.040 -7.089 0.813) 10.750 6.873 ( 3.168 5.500 -0.192) 6.350 7.134 ( -2.272 -1.995 -4.065) 5.067 7.480 ( -4.832 6.000 -0.345) 7.712 8.243 ( 0.862 9.363 4.709) 10.516 8.544 ( -6.372 -7.147 -3.497) 10.194 8.615 ( 0.097 3.946 3.086) 5.011 8.992 ( -2.315 1.339 -4.725) 5.429 9.457 ( -2.545 -1.610 0.260) 3.022 9.717 ( 1.036 -1.975 1.999) 2.995 10.542 ( 3.900 -3.289 4.124) 6.560 10.777 ( 3.752 -0.881 -0.362) 3.871 10.931 ( -1.893 -3.570 -4.306) 5.905 11.176 ( -4.051 6.070 6.777) 9.959 11.465 ( 20.020 0.457 -2.880) 20.231 11.653 ( 4.393 -0.497 -4.276) 6.151 11.908 ( -16.155 -2.728 -2.657) 16.597 14.451 ( 0.760 3.785 5.115) 6.408 14.805 ( -2.407 -2.714 4.435) 5.730 ======================= Grid point 480 (245/275) ======================= q-point: (-0.33 -0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -3.970 -0.000 -2.581) 4.735 2.613 ( -5.482 -0.000 10.513) 11.856 2.693 ( 12.944 0.000 -2.582) 13.199 2.802 ( 5.979 0.000 -2.973) 6.677 2.986 ( -0.225 -0.000 5.852) 5.856 3.391 ( 18.727 0.000 -1.494) 18.786 3.842 ( -2.290 -0.000 4.610) 5.148 4.102 ( -11.628 -0.000 -14.749) 18.782 4.251 ( -0.679 -0.000 3.897) 3.956 4.584 ( -1.439 -0.000 2.498) 2.883 4.913 ( 6.548 0.000 3.449) 7.401 5.308 ( -7.962 -0.000 3.614) 8.744 5.506 ( -9.540 -0.000 -3.598) 10.196 5.963 ( 3.684 0.000 -1.929) 4.158 6.397 ( 11.907 0.000 -0.795) 11.934 6.727 ( 10.729 0.000 -0.311) 10.733 7.370 ( -5.744 -0.000 -0.098) 5.744 7.748 ( -7.230 -0.000 -7.845) 10.668 8.106 ( 9.260 0.000 3.243) 9.811 8.557 ( 7.020 0.000 8.501) 11.025 8.737 ( -11.910 -0.000 -2.575) 12.186 9.246 ( -8.094 -0.000 -13.461) 15.707 9.477 ( -5.797 -0.000 2.664) 6.380 9.608 ( 3.716 0.000 5.011) 6.238 10.430 ( 3.011 0.000 4.980) 5.820 10.671 ( 5.960 0.000 -4.774) 7.636 10.774 ( 7.594 0.000 3.053) 8.185 11.193 ( 11.984 0.000 -3.026) 12.361 11.333 ( -0.652 -0.000 6.747) 6.779 11.612 ( 2.059 0.000 -7.659) 7.931 12.119 ( -14.584 -0.000 0.631) 14.598 14.537 ( 1.820 0.000 5.973) 6.244 14.753 ( -4.509 -0.000 4.078) 6.079 ======================= Grid point 481 (246/275) ======================= q-point: (-0.22 -0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -7.567 3.143 -2.253) 8.498 2.508 ( -8.490 1.186 9.753) 12.985 2.795 ( 4.237 7.260 -0.874) 8.451 2.941 ( 8.939 -4.781 -0.930) 10.180 3.082 ( 7.919 -2.538 6.792) 10.737 3.629 ( 3.089 1.504 -0.613) 3.490 3.833 ( -2.470 -0.461 -0.393) 2.543 3.973 ( 6.490 -3.078 -12.136) 14.102 4.267 ( 1.123 -0.916 2.874) 3.218 4.566 ( -3.157 -1.742 6.693) 7.603 5.013 ( 3.801 0.376 6.383) 7.438 5.165 ( -8.210 1.738 1.127) 8.468 5.331 ( -7.634 2.592 -6.734) 10.504 6.069 ( 8.039 -1.918 -2.514) 8.638 6.601 ( 10.355 -4.320 -0.241) 11.223 6.903 ( 10.210 -0.698 -0.735) 10.261 7.209 ( -9.697 4.837 -2.614) 11.147 7.596 ( -6.551 3.877 -4.531) 8.859 8.234 ( 0.673 -6.221 1.356) 6.403 8.551 ( -6.210 5.892 0.328) 8.566 8.653 ( -0.116 -1.344 7.542) 7.662 9.022 ( -10.687 1.348 -12.294) 16.345 9.461 ( 1.968 1.467 3.055) 3.919 9.690 ( 3.338 -1.333 5.369) 6.461 10.486 ( 1.623 -1.363 4.586) 5.052 10.762 ( 5.664 -0.271 -2.629) 6.250 10.845 ( -0.780 -3.167 -1.712) 3.684 11.275 ( -2.907 2.611 6.212) 7.339 11.475 ( 17.904 0.309 -4.595) 18.486 11.648 ( 5.313 -0.022 -3.904) 6.593 11.861 ( -17.429 -1.349 -1.030) 17.512 14.560 ( 1.661 5.497 5.545) 7.983 14.717 ( -3.310 -4.879 3.717) 6.970 ======================= Grid point 482 (247/275) ======================= q-point: (-0.11 -0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -8.354 1.133 -0.351) 8.438 2.393 ( -7.278 0.591 9.545) 12.017 2.771 ( 3.185 6.998 -1.204) 7.782 3.077 ( 1.583 -4.231 -1.800) 4.863 3.305 ( 13.742 1.584 13.396) 19.256 3.469 ( -10.562 3.894 -9.372) 14.647 3.794 ( -2.502 0.278 -0.184) 2.524 4.202 ( 12.744 -1.757 -2.623) 13.129 4.320 ( 3.611 -0.806 0.544) 3.739 4.581 ( -1.781 -6.092 9.751) 11.635 5.002 ( -4.994 3.070 4.901) 7.640 5.053 ( -3.402 3.078 -0.200) 4.593 5.230 ( 1.520 -0.234 -7.320) 7.480 6.232 ( 10.566 -0.490 -2.637) 10.901 6.778 ( 1.953 -1.432 -0.131) 2.425 6.962 ( -0.464 5.174 -1.720) 5.472 7.089 ( 2.733 -3.183 -3.446) 5.429 7.440 ( -6.070 2.992 -0.444) 6.782 8.278 ( -7.164 -13.023 -2.290) 15.038 8.355 ( -5.264 12.355 0.826) 13.455 8.635 ( -4.543 2.136 6.867) 8.506 8.859 ( -8.631 -4.601 -6.252) 11.608 9.504 ( 5.571 3.546 3.038) 7.269 9.771 ( 4.338 0.427 4.344) 6.154 10.539 ( -0.690 -4.492 4.293) 6.252 10.805 ( -2.392 -1.612 -0.447) 2.919 10.861 ( 2.375 -1.366 -4.582) 5.338 11.177 ( -5.145 4.955 5.553) 9.048 11.566 ( -10.930 0.116 -4.870) 11.967 11.657 ( -2.138 -3.615 -5.905) 7.246 11.872 ( 20.482 0.535 -0.692) 20.501 14.506 ( -1.837 4.803 3.271) 6.094 14.766 ( 1.049 -3.861 4.970) 6.380 ======================= Grid point 490 (248/275) ======================= q-point: (-0.22 -0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -10.583 -0.000 -1.483) 10.686 2.399 ( -8.826 -0.000 13.311) 15.971 2.918 ( 1.744 0.000 1.869) 2.556 2.959 ( 4.879 0.000 -8.043) 9.407 3.317 ( 15.594 0.000 12.117) 19.749 3.520 ( -9.570 -0.000 -12.291) 15.577 3.805 ( -3.813 -0.000 3.468) 5.154 4.172 ( 17.306 0.000 -5.310) 18.103 4.305 ( 3.775 0.000 1.244) 3.975 4.518 ( -3.911 -0.000 10.293) 11.011 5.060 ( -2.581 -0.000 8.218) 8.614 5.062 ( -4.560 -0.000 -0.958) 4.659 5.230 ( -1.567 -0.000 -8.857) 8.995 6.221 ( 12.164 0.000 -2.981) 12.524 6.741 ( 9.618 0.000 0.009) 9.618 7.051 ( -11.652 -0.000 -3.376) 12.131 7.055 ( 9.045 0.000 -1.541) 9.175 7.485 ( -8.533 -0.000 -3.271) 9.138 8.108 ( -8.181 -0.000 -2.283) 8.494 8.577 ( -8.965 -0.000 7.589) 11.746 8.580 ( -0.305 -0.000 2.733) 2.750 8.807 ( -11.114 -0.000 -9.128) 14.382 9.564 ( 7.095 0.000 3.292) 7.821 9.765 ( 4.748 0.000 6.077) 7.712 10.484 ( -2.204 -0.000 4.908) 5.381 10.777 ( -3.763 -0.000 -3.036) 4.835 10.847 ( 5.060 0.000 -1.821) 5.377 11.241 ( -4.821 -0.000 4.334) 6.482 11.567 ( -16.223 -0.000 -2.903) 16.480 11.612 ( 2.531 0.000 -6.351) 6.837 11.878 ( 20.489 0.000 -1.094) 20.518 14.595 ( -5.420 -0.000 1.265) 5.566 14.688 ( 4.618 0.000 6.573) 8.033 ======================= Grid point 491 (249/275) ======================= q-point: (-0.11 -0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -9.105 -0.606 3.064) 9.626 2.304 ( -7.238 -0.015 14.180) 15.921 2.889 ( 1.718 6.322 -2.969) 7.193 3.029 ( -0.141 -4.083 -6.754) 7.893 3.322 ( -7.438 5.149 -10.534) 13.885 3.587 ( 9.580 -0.667 11.683) 15.123 3.740 ( -1.543 -0.606 4.641) 4.928 4.371 ( 3.977 1.919 1.459) 4.650 4.397 ( 9.282 -0.152 -1.989) 9.494 4.542 ( 2.370 -4.947 10.406) 11.764 4.955 ( -6.621 2.979 -0.641) 7.289 5.033 ( 0.809 0.164 -2.353) 2.494 5.260 ( 4.205 -0.998 -0.451) 4.346 6.423 ( 12.862 -0.176 -3.568) 13.348 6.770 ( -7.884 9.357 -2.017) 12.400 6.965 ( 5.360 -7.705 -1.045) 9.444 7.145 ( 1.956 5.115 -1.980) 5.823 7.343 ( -5.972 -2.712 -0.943) 6.627 8.015 ( -7.799 -8.799 -3.514) 12.272 8.357 ( -10.828 7.758 3.165) 13.692 8.563 ( -6.614 0.073 4.106) 7.786 8.638 ( -9.784 -4.160 -4.333) 11.480 9.683 ( 9.010 4.068 4.448) 10.840 9.867 ( 5.461 0.093 5.046) 7.435 10.452 ( -5.475 -3.804 4.783) 8.205 10.720 ( -2.987 -1.719 -3.588) 4.975 10.907 ( 2.559 0.707 -0.620) 2.726 11.145 ( -5.768 2.999 4.153) 7.715 11.347 ( -9.820 -1.033 -5.062) 11.096 11.611 ( -1.122 -1.420 -6.174) 6.434 12.188 ( 17.262 0.319 -1.844) 17.363 14.503 ( -3.574 2.573 0.281) 4.413 14.790 ( 3.533 -2.074 6.151) 7.390 ======================= Grid point 500 (250/275) ======================= q-point: (-0.11 -0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -5.744 -0.000 8.512) 10.269 2.241 ( -5.511 -0.000 16.571) 17.463 2.896 ( -4.336 -0.000 -4.545) 6.281 2.962 ( -2.209 -0.000 -9.332) 9.590 3.266 ( -0.741 -0.000 -12.580) 12.602 3.547 ( -7.224 -0.000 5.734) 9.223 3.899 ( 11.116 0.000 12.983) 17.092 4.394 ( -1.475 -0.000 4.461) 4.698 4.529 ( 4.564 0.000 1.757) 4.890 4.661 ( 12.731 0.000 6.342) 14.223 4.851 ( -6.077 -0.000 -5.979) 8.525 5.075 ( 4.020 0.000 -1.004) 4.143 5.328 ( 3.861 0.000 3.138) 4.975 6.495 ( -5.759 -0.000 -5.015) 7.637 6.798 ( 7.458 0.000 -2.686) 7.927 7.010 ( 6.144 0.000 1.474) 6.318 7.150 ( -9.937 -0.000 -0.919) 9.980 7.255 ( 3.319 0.000 -1.599) 3.684 7.851 ( -5.202 -0.000 -2.643) 5.835 8.179 ( -15.683 -0.000 3.931) 16.169 8.450 ( -7.856 -0.000 -5.272) 9.461 8.473 ( -6.362 -0.000 2.514) 6.841 9.878 ( 10.121 0.000 5.461) 11.501 9.974 ( 5.913 0.000 4.243) 7.278 10.335 ( -6.737 -0.000 4.033) 7.852 10.668 ( -1.122 -0.000 -3.554) 3.727 10.942 ( 0.858 0.000 0.844) 1.204 11.071 ( -6.503 -0.000 4.252) 7.770 11.222 ( -3.357 -0.000 -5.666) 6.585 11.549 ( -3.419 -0.000 -6.065) 6.962 12.413 ( 10.851 0.000 -2.478) 11.130 14.466 ( -2.164 -0.000 -1.153) 2.452 14.848 ( 2.609 0.000 6.191) 6.718 ======================= Grid point 501 (251/275) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.437 ( -0.000 -0.000 -0.000) 0.000 2.806 ( 0.000 0.000 -0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.536 ( -0.000 -0.000 0.000) 0.000 4.326 ( -0.000 -0.000 -0.000) 0.000 4.346 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 0.000) 0.000 4.664 ( -0.000 -0.000 0.000) 0.000 5.148 ( 0.000 0.000 0.000) 0.000 5.176 ( -0.000 -0.000 0.000) 0.000 5.455 ( -0.000 -0.000 0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 6.884 ( -0.000 -0.000 0.000) 0.000 7.094 ( -0.000 -0.000 0.000) 0.000 7.183 ( -0.000 -0.000 0.000) 0.000 7.235 ( -0.000 -0.000 0.000) 0.000 7.733 ( -0.000 -0.000 0.000) 0.000 7.873 ( 0.000 0.000 0.000) 0.000 8.255 ( 0.000 0.000 0.000) 0.000 8.368 ( -0.000 -0.000 0.000) 0.000 10.163 ( 0.000 0.000 0.000) 0.000 10.225 ( 0.000 0.000 0.000) 0.000 10.238 ( -0.000 -0.000 0.000) 0.000 10.571 ( 0.000 0.000 0.000) 0.000 10.971 ( -0.000 -0.000 -0.000) 0.000 10.996 ( -0.000 -0.000 0.000) 0.000 11.107 ( 0.000 0.000 0.000) 0.000 11.369 ( -0.000 -0.000 0.000) 0.000 12.538 ( -0.000 -0.000 0.000) 0.000 14.413 ( 0.000 0.000 0.000) 0.000 14.970 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 503 (252/275) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -2.615 -0.508 -11.752) 12.050 2.418 ( 1.250 2.900 0.232) 3.167 2.578 ( 10.296 -1.599 9.692) 14.230 2.797 ( -0.199 1.788 2.335) 2.948 2.993 ( -0.172 7.100 2.923) 7.680 3.577 ( 1.009 -4.993 0.302) 5.103 4.255 ( -5.422 -0.761 -4.534) 7.109 4.396 ( 2.431 -0.403 0.944) 2.639 4.577 ( -0.428 2.127 0.455) 2.217 4.661 ( 0.775 0.224 2.211) 2.354 5.046 ( -11.795 -1.742 -4.927) 12.901 5.115 ( -3.615 2.221 0.341) 4.256 5.428 ( -3.145 0.286 0.873) 3.276 6.229 ( 9.955 -0.894 3.499) 10.590 6.799 ( -4.479 11.258 1.382) 12.195 6.980 ( 1.060 10.227 0.518) 10.295 7.211 ( -5.676 -9.167 -1.173) 10.845 7.290 ( 0.246 -6.554 1.539) 6.736 7.771 ( -0.893 -7.852 4.377) 9.034 8.001 ( 11.995 -1.449 -1.688) 12.199 8.305 ( 6.347 -0.566 -1.888) 6.646 8.433 ( 7.304 -1.051 -3.358) 8.107 10.099 ( -2.935 3.542 -1.331) 4.789 10.126 ( -7.563 4.006 -5.130) 9.978 10.326 ( 6.672 -3.563 -2.016) 7.827 10.593 ( -0.734 -2.668 3.471) 4.439 10.914 ( 0.693 6.389 1.745) 6.659 11.054 ( 0.233 -5.351 2.640) 5.972 11.101 ( -0.052 0.879 1.078) 1.391 11.414 ( 4.800 -0.231 -0.800) 4.872 12.504 ( -4.148 0.342 -0.118) 4.164 14.412 ( 0.396 0.657 0.822) 1.124 14.962 ( -1.427 -0.759 -0.388) 1.662 ======================= Grid point 504 (253/275) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -0.190 -1.784 -8.832) 9.012 2.415 ( 2.541 3.056 -0.312) 3.986 2.726 ( 1.186 3.734 4.183) 5.731 2.829 ( 6.492 -1.444 8.243) 10.591 2.958 ( 6.081 6.083 3.506) 9.289 3.657 ( 2.396 -3.651 0.783) 4.437 4.127 ( -10.775 -0.601 -7.067) 12.900 4.406 ( -1.322 2.854 -0.441) 3.176 4.478 ( -6.576 2.461 1.036) 7.098 4.711 ( 5.750 2.047 2.436) 6.572 4.902 ( -7.403 -5.946 -5.524) 10.985 5.023 ( -4.404 2.090 1.175) 5.014 5.358 ( -5.549 -0.158 1.997) 5.899 6.423 ( 9.639 -2.247 4.288) 10.787 6.556 ( -8.870 10.554 1.232) 13.841 6.952 ( 7.713 11.039 -0.239) 13.469 7.187 ( -8.429 -8.686 -0.486) 12.113 7.355 ( 0.556 -3.776 0.971) 3.939 7.902 ( 2.026 -10.691 7.246) 13.073 8.191 ( 9.314 -1.128 -2.115) 9.618 8.456 ( 11.220 -0.960 -3.900) 11.918 8.589 ( 9.429 -3.422 -3.933) 10.775 9.902 ( -10.815 5.461 -4.976) 13.098 10.005 ( -3.060 4.714 -3.068) 6.403 10.494 ( 8.841 -4.516 -3.807) 10.632 10.611 ( -0.183 -0.788 4.966) 5.032 10.891 ( 2.326 3.074 1.047) 3.995 11.092 ( 0.667 0.098 0.258) 0.722 11.136 ( 2.089 -2.805 5.928) 6.883 11.499 ( 5.205 0.105 -0.529) 5.233 12.389 ( -9.477 0.610 -0.573) 9.514 14.420 ( 1.523 1.186 1.364) 2.363 14.938 ( -2.718 -1.318 -0.641) 3.087 ======================= Grid point 505 (254/275) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 1.319 -2.196 -3.953) 4.711 2.433 ( 2.789 1.894 -0.123) 3.374 2.683 ( -0.061 4.039 2.894) 4.969 2.950 ( 6.610 0.451 6.094) 9.002 3.095 ( 9.120 -0.908 5.342) 10.608 3.719 ( 3.108 1.371 -1.777) 3.834 3.867 ( -16.737 0.827 -8.684) 18.874 4.292 ( -5.393 4.255 1.840) 7.112 4.382 ( -3.641 1.657 0.067) 4.001 4.811 ( 5.558 -0.653 0.466) 5.616 4.880 ( -2.292 -4.447 -2.473) 5.581 4.960 ( -0.245 1.210 -0.213) 1.252 5.269 ( -7.145 -1.249 3.313) 7.974 6.327 ( -7.731 6.385 0.896) 10.066 6.602 ( 8.261 -1.847 2.833) 8.927 6.949 ( 4.202 8.587 -0.278) 9.564 7.142 ( -6.367 -6.456 -0.280) 9.072 7.402 ( 1.342 -1.761 0.305) 2.235 8.059 ( 3.173 -4.689 7.176) 9.141 8.336 ( 5.966 -5.764 -1.961) 8.524 8.614 ( 9.121 2.557 -5.531) 10.969 8.775 ( 7.492 -6.324 -1.376) 9.900 9.657 ( -9.824 5.229 -3.663) 11.716 9.886 ( -3.464 5.514 -2.846) 7.107 10.640 ( 2.171 -2.056 2.058) 3.630 10.661 ( 6.369 -0.971 -0.124) 6.444 10.904 ( -0.229 -0.546 -2.337) 2.411 11.130 ( 3.204 -0.568 1.148) 3.450 11.244 ( 8.932 -0.156 6.176) 10.860 11.569 ( 3.513 -0.084 0.229) 3.522 12.178 ( -15.157 0.736 -1.482) 15.247 14.444 ( 2.515 1.332 1.354) 3.152 14.901 ( -3.184 -1.412 -0.658) 3.545 ======================= Grid point 506 (255/275) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 0.683 -0.852 -0.703) 1.299 2.454 ( 1.175 0.486 0.049) 1.272 2.669 ( 0.761 1.081 0.544) 1.429 3.085 ( 6.948 -0.091 3.218) 7.657 3.232 ( 3.539 -1.142 7.236) 8.135 3.563 ( -10.768 1.302 -11.949) 16.137 3.745 ( 0.394 1.523 1.180) 1.967 4.197 ( -2.391 1.447 1.310) 3.087 4.322 ( -1.431 1.134 0.027) 1.826 4.850 ( -2.472 -4.069 -0.146) 4.763 4.884 ( 1.180 2.075 0.101) 2.389 5.028 ( 8.456 0.803 -3.091) 9.039 5.170 ( -8.137 -1.666 3.744) 9.111 6.189 ( -2.937 2.485 0.169) 3.851 6.741 ( 4.849 -2.232 1.285) 5.491 6.896 ( -1.380 4.102 -0.256) 4.336 7.126 ( -1.617 -2.154 -0.188) 2.700 7.433 ( 0.727 -0.474 0.055) 0.870 8.127 ( 1.312 0.241 2.319) 2.675 8.509 ( 3.232 -10.765 2.570) 11.529 8.637 ( 2.588 8.211 -5.605) 10.273 8.927 ( 3.080 -3.868 0.320) 4.955 9.488 ( -4.089 2.297 -1.478) 4.917 9.782 ( -1.965 3.060 -1.177) 3.822 10.684 ( 0.893 -0.547 1.812) 2.093 10.760 ( 4.728 -0.097 0.497) 4.755 10.869 ( -3.359 -0.793 -2.622) 4.334 11.173 ( 0.722 -0.683 0.671) 1.199 11.468 ( 13.777 0.954 2.392) 14.016 11.627 ( 4.202 -1.196 2.033) 4.819 11.890 ( -17.258 0.837 -2.672) 17.484 14.471 ( 1.421 0.651 0.599) 1.674 14.870 ( -1.591 -0.671 -0.308) 1.754 ======================= Grid point 512 (256/275) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -0.280 -0.000 -9.348) 9.352 2.463 ( 2.733 0.000 -1.065) 2.933 2.765 ( 9.051 0.000 8.389) 12.341 2.807 ( -0.667 -0.000 3.754) 3.813 3.038 ( 0.033 0.000 7.458) 7.458 3.610 ( 6.567 0.000 -0.282) 6.573 4.112 ( -10.443 -0.000 -6.621) 12.365 4.415 ( -0.112 -0.000 0.114) 0.160 4.532 ( -6.974 -0.000 0.801) 7.020 4.740 ( 6.790 0.000 4.122) 7.943 4.812 ( -10.996 -0.000 -7.209) 13.148 5.059 ( -4.289 -0.000 0.401) 4.308 5.359 ( -5.702 -0.000 1.580) 5.917 6.383 ( 5.172 0.000 5.787) 7.761 6.739 ( -6.740 -0.000 2.627) 7.234 7.051 ( -6.974 -0.000 -2.294) 7.341 7.153 ( 9.550 0.000 -0.635) 9.571 7.220 ( -3.065 -0.000 1.741) 3.525 7.760 ( 3.330 0.000 5.844) 6.726 8.193 ( 11.259 0.000 1.812) 11.404 8.464 ( 13.585 0.000 -5.671) 14.721 8.547 ( 7.958 0.000 -4.375) 9.081 9.983 ( -10.774 -0.000 -5.502) 12.098 10.052 ( -3.904 -0.000 -3.524) 5.259 10.426 ( 8.986 0.000 -4.896) 10.233 10.586 ( 0.364 0.000 4.731) 4.745 10.958 ( -1.156 -0.000 -0.310) 1.197 11.052 ( 2.678 0.000 6.868) 7.372 11.123 ( 2.458 0.000 3.655) 4.404 11.501 ( 5.677 0.000 -2.033) 6.030 12.396 ( -9.497 -0.000 -0.706) 9.523 14.438 ( 2.023 0.000 1.605) 2.582 14.919 ( -3.073 -0.000 -0.789) 3.173 ======================= Grid point 513 (257/275) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 2.704 -0.712 -4.158) 5.011 2.502 ( 4.151 2.966 -1.150) 5.230 2.776 ( -1.156 3.886 3.928) 5.645 2.907 ( 3.482 -3.734 6.071) 7.933 3.088 ( 4.633 0.412 10.339) 11.337 3.746 ( 8.987 0.869 -1.140) 9.100 3.865 ( -17.805 -0.550 -7.795) 19.444 4.359 ( -11.968 2.161 1.238) 12.224 4.396 ( -1.668 -0.192 -2.348) 2.887 4.700 ( -4.284 -4.136 -5.066) 7.818 4.879 ( 8.559 0.524 4.618) 9.740 5.006 ( -0.126 1.704 -0.232) 1.724 5.261 ( -6.780 0.044 2.284) 7.154 6.348 ( -10.450 -1.349 4.128) 11.316 6.724 ( 9.031 8.454 2.082) 12.545 6.960 ( -8.321 -6.720 -0.728) 10.720 7.115 ( -2.255 5.111 1.230) 5.720 7.338 ( 5.936 -3.828 -0.155) 7.065 7.904 ( 7.075 -6.798 6.836) 11.959 8.352 ( 9.322 3.924 2.368) 10.387 8.642 ( 8.408 -0.295 -3.678) 9.182 8.679 ( 9.237 -2.038 -6.552) 11.507 9.768 ( -10.532 4.170 -4.230) 12.091 9.970 ( -3.844 1.335 -5.160) 6.571 10.556 ( 5.219 -2.798 -4.765) 7.601 10.633 ( 3.086 -1.683 4.524) 5.729 10.914 ( -2.823 0.823 -1.309) 3.219 11.124 ( 3.071 -0.115 6.849) 7.507 11.242 ( 11.203 -0.076 5.100) 12.310 11.571 ( 3.541 0.103 -2.656) 4.428 12.190 ( -15.178 0.285 -1.923) 15.302 14.485 ( 3.996 1.640 1.950) 4.739 14.863 ( -4.320 -1.500 -0.988) 4.678 ======================= Grid point 514 (258/275) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 4.112 0.302 0.557) 4.161 2.520 ( 3.395 4.821 0.247) 5.901 2.724 ( -0.485 3.653 0.549) 3.726 3.014 ( 1.097 -6.052 4.580) 7.668 3.224 ( 7.928 0.555 12.723) 15.001 3.547 ( -17.965 -1.943 -7.224) 19.460 3.821 ( 3.276 4.526 -3.928) 6.829 4.152 ( -12.855 -3.184 2.015) 13.396 4.368 ( -0.105 0.938 -4.241) 4.345 4.684 ( -3.665 -5.740 -1.433) 6.959 4.999 ( 5.827 3.755 3.805) 7.907 5.059 ( 10.145 1.371 -1.633) 10.367 5.154 ( -6.961 0.275 2.965) 7.571 6.194 ( -9.478 -1.281 1.273) 9.649 6.776 ( 2.434 1.925 0.288) 3.117 6.923 ( -1.428 -0.144 1.659) 2.194 7.040 ( -4.336 -1.832 1.585) 4.967 7.442 ( 4.773 0.613 -0.321) 4.823 8.137 ( 8.531 -7.137 8.878) 14.232 8.397 ( 3.581 6.648 -1.164) 7.640 8.760 ( 4.979 2.152 -2.749) 6.081 8.807 ( 5.330 -5.509 -3.096) 8.267 9.562 ( -6.850 4.379 -2.798) 8.598 9.872 ( -3.141 3.378 -5.675) 7.313 10.618 ( -0.103 -3.633 -1.492) 3.929 10.737 ( 4.803 -2.369 3.022) 6.149 10.846 ( -4.920 -0.832 -1.744) 5.286 11.185 ( 2.809 1.150 6.022) 6.744 11.491 ( 15.570 1.139 1.919) 15.729 11.602 ( 1.968 -1.174 -1.102) 2.543 11.905 ( -17.050 0.538 -3.921) 17.503 14.524 ( 3.228 3.795 1.221) 5.129 14.822 ( -2.940 -3.350 -0.495) 4.485 ======================= Grid point 515 (259/275) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 2.669 2.948 2.678) 4.794 2.510 ( 1.815 5.237 0.013) 5.542 2.680 ( -1.753 2.057 -0.342) 2.724 3.035 ( -8.272 -4.493 0.524) 9.428 3.244 ( -6.687 -0.385 -4.795) 8.237 3.507 ( 9.313 -2.783 15.564) 18.350 3.745 ( -4.409 0.700 -4.521) 6.354 4.072 ( -4.538 -7.448 0.014) 8.722 4.352 ( 1.623 1.835 -4.851) 5.435 4.700 ( -2.922 -7.203 0.099) 7.774 5.027 ( -5.248 0.712 3.420) 6.304 5.063 ( 5.545 7.871 1.923) 9.818 5.216 ( 10.432 2.281 -2.249) 10.913 6.108 ( -4.247 -4.010 0.151) 5.843 6.761 ( -7.584 -7.926 -0.593) 10.985 6.873 ( -0.656 7.284 -0.050) 7.314 7.059 ( 1.312 -4.125 3.125) 5.339 7.483 ( 3.239 3.228 -0.431) 4.593 8.282 ( 6.217 12.244 3.041) 14.065 8.414 ( -1.051 -11.477 4.458) 12.357 8.705 ( -3.397 6.730 -3.627) 8.366 8.939 ( 3.311 -2.860 0.707) 4.432 9.472 ( 0.649 1.156 -0.872) 1.587 9.785 ( -0.920 2.580 -4.624) 5.375 10.633 ( -2.565 -3.982 -2.736) 5.470 10.750 ( -5.796 -1.020 -0.029) 5.885 10.854 ( 3.208 -2.388 3.414) 5.259 11.217 ( 1.762 2.767 4.801) 5.815 11.451 ( -14.508 -0.670 -2.797) 14.790 11.659 ( -4.275 1.759 -5.334) 7.058 11.868 ( 17.599 -1.226 1.328) 17.691 14.505 ( -0.439 3.686 -0.248) 3.721 14.845 ( 1.097 -2.972 0.453) 3.200 ======================= Grid point 516 (260/275) ======================= q-point: (-0.44 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 0.674 4.240 3.907) 5.804 2.462 ( -0.770 4.942 -0.464) 5.024 2.622 ( -3.603 -1.494 -1.800) 4.296 2.916 ( -7.999 -2.445 -3.625) 9.116 3.090 ( -13.624 -1.353 -1.209) 13.745 3.684 ( 1.249 -2.514 2.112) 3.513 3.818 ( 13.407 -3.752 8.522) 16.323 4.148 ( 2.585 -8.461 0.348) 8.854 4.362 ( 2.860 0.252 -4.940) 5.713 4.720 ( -5.052 -6.408 0.274) 8.165 4.923 ( -4.773 0.388 1.882) 5.146 5.096 ( 8.241 10.044 2.308) 13.195 5.321 ( 7.249 3.286 -3.302) 8.617 6.150 ( 1.148 -7.732 0.432) 7.829 6.704 ( -7.109 -3.533 -2.703) 8.386 6.765 ( -7.657 -1.126 0.402) 7.749 7.149 ( 3.730 -2.700 2.594) 5.285 7.484 ( 3.112 5.374 -0.909) 6.277 8.210 ( 2.051 9.923 -3.468) 10.710 8.446 ( -10.449 -0.298 6.640) 12.384 8.579 ( -1.552 2.031 1.594) 3.012 8.931 ( -2.170 6.859 0.117) 7.195 9.555 ( 7.496 -3.638 1.657) 8.495 9.791 ( 2.616 -2.614 -1.581) 4.022 10.599 ( -4.610 -3.362 -6.385) 8.563 10.673 ( -6.082 -1.417 3.246) 7.039 10.913 ( -0.309 -1.008 3.347) 3.509 11.152 ( -9.976 1.089 1.261) 10.115 11.259 ( -2.000 1.677 -2.607) 3.689 11.581 ( -2.997 1.028 -4.656) 5.632 12.159 ( 15.181 -0.983 0.730) 15.231 14.451 ( -1.543 2.184 -0.955) 2.840 14.904 ( 2.666 -1.347 0.667) 3.061 ======================= Grid point 517 (261/275) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -0.236 3.550 7.369) 8.183 2.393 ( -2.234 2.049 -0.001) 3.031 2.622 ( 0.244 -5.595 -5.320) 7.724 2.826 ( -5.161 -1.917 -1.969) 5.847 2.850 ( -16.593 -2.814 -3.117) 17.116 3.725 ( 2.487 1.312 -1.375) 3.130 4.099 ( 11.325 -3.586 8.429) 14.566 4.291 ( 3.535 -6.013 -0.090) 6.975 4.435 ( 5.867 -2.833 -1.753) 6.747 4.654 ( -7.543 -2.969 -0.141) 8.107 4.914 ( 0.908 -3.163 0.563) 3.338 5.123 ( 7.689 9.760 1.883) 12.567 5.379 ( 4.711 1.858 -2.637) 5.710 6.279 ( 0.970 -9.205 1.840) 9.437 6.575 ( -4.043 5.530 -5.808) 8.981 6.694 ( -10.539 -12.985 1.095) 16.759 7.242 ( 2.717 -3.334 1.705) 4.626 7.472 ( 4.995 8.186 -1.763) 9.750 8.127 ( 1.377 8.935 -7.704) 11.878 8.240 ( -11.716 3.154 6.639) 13.831 8.517 ( -5.334 3.288 4.967) 7.996 8.749 ( -6.179 12.516 0.389) 13.963 9.773 ( 10.417 -6.583 3.123) 12.712 9.889 ( 3.532 -5.032 1.660) 6.368 10.548 ( -5.823 -1.990 -2.862) 6.787 10.576 ( -5.503 -1.411 -0.654) 5.718 10.870 ( -4.387 -0.304 -0.278) 4.406 11.058 ( -2.745 -2.235 1.456) 3.828 11.222 ( 0.872 4.676 -1.865) 5.110 11.504 ( -3.973 0.725 -3.083) 5.081 12.372 ( 9.478 -0.946 0.191) 9.527 14.412 ( -0.773 0.908 -1.007) 1.561 14.955 ( 2.274 -0.114 0.520) 2.336 ======================= Grid point 518 (262/275) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 1.192 1.372 10.135) 10.297 2.359 ( -1.419 -1.263 -0.655) 2.010 2.603 ( -9.772 0.387 -6.479) 11.731 2.721 ( 1.230 -7.000 -8.823) 11.330 2.795 ( -4.100 -7.003 4.061) 9.075 3.715 ( 1.529 6.143 -0.908) 6.395 4.270 ( 5.622 -0.225 2.836) 6.301 4.377 ( -0.526 -3.551 1.100) 3.755 4.506 ( -0.792 -2.524 0.129) 2.648 4.636 ( 1.287 -3.060 -1.430) 3.614 5.008 ( 4.072 -5.496 0.923) 6.902 5.154 ( 6.782 6.786 1.634) 9.733 5.424 ( 2.672 0.158 -1.232) 2.947 6.261 ( -7.847 1.601 -0.616) 8.032 6.551 ( -0.894 -9.852 -1.264) 9.973 6.727 ( -1.419 -12.301 -1.155) 12.437 7.308 ( 0.302 -3.298 0.770) 3.400 7.459 ( 6.629 11.488 -2.111) 13.430 7.994 ( -6.098 4.127 -2.445) 7.759 8.076 ( -2.116 10.527 1.296) 10.816 8.391 ( -4.779 4.558 3.198) 7.338 8.508 ( -6.885 10.454 1.336) 12.588 9.980 ( 2.790 -6.859 0.266) 7.409 10.029 ( 7.742 -4.445 5.269) 10.366 10.403 ( -7.203 2.794 0.078) 7.727 10.592 ( 0.620 -5.056 -3.407) 6.129 10.823 ( -2.039 -1.025 -0.872) 2.443 11.062 ( -1.044 -2.696 1.071) 3.083 11.170 ( 0.368 5.673 -1.839) 5.975 11.427 ( -3.405 0.973 -1.114) 3.713 12.491 ( 4.173 -0.834 -0.005) 4.255 14.400 ( -0.083 -0.037 -0.649) 0.655 14.981 ( 1.231 0.642 0.297) 1.419 ======================= Grid point 519 (263/275) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 0.000 -0.140 0.000) 0.140 2.363 ( -0.000 -2.804 0.000) 2.804 2.486 ( -0.000 1.571 0.000) 1.571 2.768 ( 0.000 -2.944 -0.000) 2.944 2.884 ( -0.000 -11.484 0.000) 11.484 3.647 ( -0.000 7.769 0.000) 7.769 4.333 ( -0.000 0.847 -0.000) 0.847 4.354 ( 0.000 0.033 0.000) 0.033 4.543 ( 0.000 -3.809 0.000) 3.809 4.661 ( -0.000 -0.040 0.000) 0.040 5.109 ( 0.000 -4.856 0.000) 4.856 5.181 ( -0.000 2.573 0.000) 2.573 5.447 ( -0.000 -0.479 0.000) 0.479 6.147 ( 0.000 2.596 0.000) 2.596 6.669 ( -0.000 -13.495 0.000) 13.495 6.868 ( -0.000 -12.666 0.000) 12.666 7.324 ( -0.000 0.904 0.000) 0.904 7.391 ( -0.000 12.096 0.000) 12.096 7.904 ( -0.000 1.564 0.000) 1.564 7.912 ( 0.000 14.768 -0.000) 14.768 8.295 ( -0.000 6.223 0.000) 6.223 8.382 ( -0.000 1.374 0.000) 1.374 10.067 ( 0.000 -5.965 0.000) 5.965 10.169 ( 0.000 -4.672 0.000) 4.672 10.297 ( -0.000 3.625 0.000) 3.625 10.626 ( -0.000 0.949 0.000) 0.949 10.835 ( -0.000 -5.292 0.000) 5.292 11.083 ( 0.000 -2.237 0.000) 2.237 11.109 ( -0.000 5.476 0.000) 5.476 11.381 ( -0.000 1.126 0.000) 1.126 12.531 ( -0.000 -0.629 0.000) 0.629 14.402 ( 0.000 -0.602 0.000) 0.602 14.983 ( -0.000 0.946 0.000) 0.946 ======================= Grid point 523 (264/275) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 5.730 0.000 0.965) 5.811 2.595 ( 5.137 0.000 -0.831) 5.204 2.787 ( -1.767 -0.000 3.756) 4.151 2.908 ( -0.472 -0.000 2.990) 3.027 3.234 ( 9.401 0.000 14.914) 17.630 3.519 ( -20.814 -0.000 -6.355) 21.762 3.883 ( 6.168 0.000 -4.102) 7.407 4.110 ( -19.346 -0.000 0.843) 19.364 4.367 ( -0.315 -0.000 -5.184) 5.193 4.626 ( -1.960 -0.000 -1.293) 2.348 5.040 ( 7.816 0.000 6.941) 10.453 5.071 ( 7.411 0.000 -1.944) 7.662 5.163 ( -4.896 -0.000 1.113) 5.021 6.175 ( -10.267 -0.000 1.892) 10.440 6.757 ( -10.060 -0.000 -1.289) 10.142 6.966 ( 11.619 0.000 4.519) 12.467 7.029 ( -8.397 -0.000 1.050) 8.463 7.450 ( 7.097 0.000 0.726) 7.134 8.011 ( 8.154 0.000 6.543) 10.454 8.573 ( 11.813 0.000 5.763) 13.144 8.653 ( -0.507 -0.000 -3.883) 3.916 8.808 ( 5.959 0.000 -6.952) 9.156 9.630 ( -7.607 -0.000 -3.312) 8.296 9.896 ( -3.698 -0.000 -6.783) 7.725 10.584 ( 1.117 0.000 -4.039) 4.190 10.694 ( 4.175 0.000 5.042) 6.546 10.838 ( -5.819 -0.000 -1.565) 6.025 11.200 ( 3.318 0.000 8.278) 8.918 11.508 ( 19.076 0.000 2.855) 19.289 11.585 ( -1.623 -0.000 -3.530) 3.885 11.912 ( -16.914 -0.000 -4.427) 17.484 14.585 ( 5.925 0.000 2.157) 6.306 14.768 ( -5.458 -0.000 -1.252) 5.600 ======================= Grid point 524 (265/275) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 5.844 1.828 4.164) 7.405 2.640 ( 3.118 5.408 3.766) 7.291 2.749 ( -0.503 3.383 -3.166) 4.661 2.910 ( -6.629 -5.844 2.616) 9.216 3.211 ( -13.294 -2.008 -5.349) 14.470 3.471 ( 13.542 -0.545 16.659) 21.476 3.757 ( -19.604 0.323 -0.784) 19.623 3.947 ( -0.462 -3.313 -3.915) 5.149 4.362 ( 1.058 -0.613 -6.579) 6.691 4.604 ( -2.209 -1.627 2.006) 3.399 5.034 ( -6.680 0.088 4.123) 7.850 5.198 ( 9.861 4.217 -0.252) 10.728 5.247 ( 11.119 0.108 0.423) 11.128 6.044 ( -6.679 -1.648 0.048) 6.879 6.608 ( -10.993 -4.598 -0.558) 11.929 6.896 ( -9.035 -1.709 0.099) 9.196 7.133 ( 11.136 5.891 4.638) 13.425 7.538 ( 4.419 1.498 1.500) 4.901 8.175 ( 3.140 -7.500 6.511) 10.416 8.562 ( 3.047 10.460 -0.885) 10.930 8.799 ( -3.445 2.097 -2.210) 4.599 8.831 ( 8.715 -5.988 2.359) 10.834 9.528 ( -0.944 2.931 -3.413) 4.597 9.822 ( -3.049 0.054 -7.428) 8.030 10.573 ( -1.688 -0.901 -2.141) 2.871 10.730 ( -7.140 -0.584 -1.251) 7.272 10.785 ( 2.870 -2.909 4.123) 5.805 11.265 ( 2.603 1.285 7.974) 8.486 11.441 ( -15.450 -0.207 -2.485) 15.650 11.696 ( -4.954 1.272 -7.955) 9.457 11.842 ( 19.161 -0.954 0.766) 19.200 14.616 ( -0.153 6.133 0.020) 6.135 14.749 ( 1.092 -5.680 0.530) 5.808 ======================= Grid point 525 (266/275) ======================= q-point: (-0.56 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 2.398 5.162 4.714) 7.391 2.607 ( -3.206 3.384 3.621) 5.903 2.642 ( -3.382 7.277 -4.292) 9.100 2.835 ( -6.686 -4.984 -1.253) 8.433 3.066 ( -12.061 -0.388 -0.524) 12.079 3.542 ( -9.129 -10.620 -1.074) 14.045 3.761 ( 15.417 -0.482 13.749) 20.663 3.994 ( 2.903 -5.011 -1.740) 6.047 4.372 ( 1.795 -0.070 -7.159) 7.381 4.597 ( -3.362 -3.833 3.549) 6.212 4.930 ( -6.542 0.018 2.027) 6.849 5.295 ( 9.651 7.641 0.864) 12.340 5.392 ( 7.762 2.834 -1.154) 8.344 6.017 ( -0.404 -4.750 -0.372) 4.782 6.494 ( -12.218 -9.034 0.243) 15.197 6.771 ( -9.216 -2.540 -1.758) 9.720 7.224 ( 8.299 8.448 3.678) 12.400 7.579 ( 3.780 3.253 1.893) 5.334 8.231 ( -8.015 -7.901 0.970) 11.297 8.556 ( 6.429 10.987 6.589) 14.334 8.649 ( -6.473 2.766 -3.178) 7.723 9.009 ( 6.769 0.362 3.821) 7.781 9.534 ( 5.486 1.495 -2.360) 6.157 9.764 ( -1.626 -0.788 -6.141) 6.401 10.538 ( -3.603 -1.578 -3.911) 5.547 10.624 ( -7.133 -2.198 1.485) 7.610 10.849 ( -1.667 -4.316 2.386) 5.206 11.161 ( -14.562 -0.013 -0.723) 14.580 11.312 ( 2.148 2.423 4.979) 5.940 11.609 ( -2.460 1.369 -8.412) 8.871 12.139 ( 15.456 -0.830 -0.049) 15.478 14.532 ( -1.648 4.805 -0.777) 5.139 14.845 ( 3.074 -3.856 0.878) 5.009 ======================= Grid point 526 (267/275) ======================= q-point: (-0.44 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -1.810 4.908 5.518) 7.603 2.481 ( -6.694 -0.303 -2.353) 7.102 2.552 ( 0.101 6.029 0.129) 6.031 2.778 ( -8.873 -3.608 -4.556) 10.607 2.821 ( -11.447 1.176 1.858) 11.656 3.632 ( 1.971 -11.197 -1.595) 11.480 4.012 ( 9.926 -2.870 5.796) 11.847 4.167 ( 8.997 -5.321 5.372) 11.752 4.389 ( 3.053 -0.822 -6.145) 6.911 4.579 ( -5.899 -3.887 3.819) 8.031 4.856 ( -3.247 -2.000 -0.220) 3.819 5.347 ( 8.200 10.019 0.907) 12.978 5.435 ( 3.102 3.392 -1.785) 4.931 6.119 ( 4.463 -6.189 1.036) 7.700 6.406 ( -13.124 -12.729 1.176) 18.320 6.633 ( -8.949 -0.778 -4.629) 10.106 7.250 ( 3.926 5.761 2.363) 7.361 7.614 ( 5.530 4.735 1.313) 7.397 8.154 ( -8.821 -4.406 -1.933) 10.048 8.393 ( -8.125 6.471 1.986) 10.575 8.636 ( 4.049 9.580 4.818) 11.462 9.030 ( 1.857 10.698 1.225) 10.927 9.652 ( 7.999 -3.269 -1.370) 8.749 9.788 ( 2.375 -4.889 -0.383) 5.449 10.472 ( -4.439 -2.339 -6.034) 7.848 10.549 ( -7.166 -2.340 3.174) 8.180 10.822 ( -6.349 -4.346 -1.639) 7.867 11.011 ( -5.288 -1.867 1.951) 5.938 11.323 ( 1.959 4.197 3.774) 5.975 11.530 ( -2.685 1.593 -7.233) 7.878 12.351 ( 9.628 -0.880 -0.339) 9.674 14.465 ( -0.503 3.830 -0.760) 3.937 14.925 ( 2.240 -2.572 0.561) 3.457 ======================= Grid point 527 (268/275) ======================= q-point: (-0.33 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -1.762 1.849 6.969) 7.423 2.387 ( -3.362 1.769 -0.917) 3.908 2.521 ( -4.733 -5.080 -1.676) 7.143 2.612 ( -3.896 0.023 -5.300) 6.578 2.742 ( -3.401 -0.064 0.562) 3.447 3.760 ( 2.633 -4.288 -0.796) 5.094 4.205 ( 6.633 -5.564 3.230) 9.240 4.294 ( 1.953 -1.561 -1.540) 2.936 4.486 ( -0.941 -0.656 3.916) 4.080 4.530 ( 0.620 -5.574 -0.445) 5.626 4.882 ( 1.142 -5.771 -0.731) 5.929 5.350 ( 5.655 10.745 0.908) 12.176 5.439 ( 1.471 1.286 -1.377) 2.391 6.250 ( 2.693 -3.944 2.614) 5.444 6.349 ( -11.077 -10.800 2.119) 15.615 6.515 ( -4.191 -5.167 -6.729) 9.462 7.255 ( 0.992 1.052 1.087) 1.809 7.668 ( 8.349 6.418 -0.534) 10.544 8.000 ( -12.166 0.603 1.064) 12.227 8.286 ( 0.757 1.748 -2.123) 2.852 8.529 ( -2.605 14.110 4.777) 15.123 8.869 ( -1.101 18.373 -0.078) 18.406 9.818 ( 3.805 -7.961 -1.658) 8.978 9.928 ( 6.524 -5.267 4.618) 9.572 10.429 ( -4.641 -1.443 -3.450) 5.961 10.460 ( -4.219 -3.829 -0.178) 5.700 10.788 ( -2.273 -3.505 -1.515) 4.443 10.989 ( -2.724 -3.874 2.126) 5.192 11.300 ( 1.119 5.993 1.374) 6.250 11.456 ( -2.114 1.716 -3.891) 4.749 12.471 ( 4.270 -0.898 -0.234) 4.370 14.427 ( 0.148 2.680 -0.486) 2.728 14.975 ( 1.118 -1.407 0.264) 1.817 ======================= Grid point 528 (269/275) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 0.000 -0.238 0.000) 0.238 2.342 ( 0.000 1.040 0.000) 1.040 2.491 ( -0.000 -2.008 0.000) 2.008 2.647 ( -0.000 -7.882 0.000) 7.882 2.715 ( 0.000 -1.277 -0.000) 1.277 3.785 ( -0.000 3.136 0.000) 3.136 4.320 ( -0.000 -2.649 0.000) 2.649 4.335 ( 0.000 -3.031 -0.000) 3.031 4.445 ( -0.000 -2.471 0.000) 2.471 4.621 ( 0.000 -4.071 0.000) 4.071 4.973 ( 0.000 -7.099 0.000) 7.099 5.299 ( -0.000 8.418 0.000) 8.418 5.444 ( -0.000 0.240 0.000) 0.240 6.238 ( 0.000 5.451 0.000) 5.451 6.381 ( -0.000 -13.468 0.000) 13.468 6.597 ( -0.000 -12.340 0.000) 12.340 7.271 ( -0.000 -2.539 0.000) 2.539 7.672 ( 0.000 13.323 0.000) 13.323 7.870 ( -0.000 -3.869 0.000) 3.869 8.295 ( 0.000 19.705 -0.000) 19.705 8.331 ( -0.000 -2.695 0.000) 2.695 8.644 ( -0.000 19.746 0.000) 19.746 9.925 ( 0.000 -7.257 0.000) 7.257 10.065 ( 0.000 -5.248 0.000) 5.248 10.357 ( -0.000 1.899 0.000) 1.899 10.511 ( -0.000 -8.297 0.000) 8.297 10.797 ( -0.000 -1.329 -0.000) 1.329 11.013 ( -0.000 -4.121 0.000) 4.121 11.240 ( -0.000 6.709 0.000) 6.709 11.414 ( -0.000 1.757 0.000) 1.757 12.514 ( -0.000 -0.894 0.000) 0.894 14.406 ( -0.000 1.332 0.000) 1.332 14.994 ( -0.000 -0.305 0.000) 0.305 ======================= Grid point 534 (270/275) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 3.304 0.000 5.444) 6.368 2.683 ( -14.350 -0.000 -0.840) 14.374 2.686 ( -4.248 -0.000 7.785) 8.869 2.803 ( 4.863 0.000 -7.141) 8.640 3.071 ( -1.735 -0.000 -2.385) 2.949 3.376 ( -22.323 -0.000 0.595) 22.331 3.765 ( 16.637 0.000 16.283) 23.279 3.939 ( 1.768 0.000 -4.625) 4.951 4.362 ( 1.714 0.000 -7.075) 7.280 4.563 ( -3.179 -0.000 4.077) 5.170 4.928 ( -7.094 -0.000 2.195) 7.426 5.388 ( 8.892 0.000 -4.041) 9.767 5.424 ( 10.480 0.000 4.685) 11.479 5.958 ( -2.020 -0.000 -1.477) 2.503 6.389 ( -12.576 -0.000 0.356) 12.581 6.735 ( -9.146 -0.000 -0.890) 9.189 7.347 ( 8.564 0.000 2.937) 9.054 7.620 ( 4.347 0.000 4.259) 6.085 8.109 ( -7.217 -0.000 3.161) 7.879 8.677 ( -10.752 -0.000 -2.862) 11.126 8.701 ( 8.850 0.000 0.318) 8.856 9.000 ( 11.182 0.000 9.106) 14.421 9.567 ( 4.693 0.000 -4.774) 6.695 9.744 ( -3.708 -0.000 -7.968) 8.788 10.530 ( -2.487 -0.000 -1.432) 2.870 10.601 ( -7.520 -0.000 -1.080) 7.598 10.783 ( -2.849 -0.000 2.286) 3.653 11.160 ( -14.893 -0.000 -0.818) 14.916 11.340 ( 2.349 0.000 7.232) 7.604 11.626 ( -2.345 -0.000 -9.706) 9.985 12.129 ( 15.700 0.000 -0.402) 15.705 14.607 ( -3.185 -0.000 -0.979) 3.332 14.781 ( 4.703 0.000 1.246) 4.866 ======================= Grid point 535 (271/275) ======================= q-point: (-0.56 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -8.772 0.493 3.498) 9.457 2.495 ( -5.728 4.677 0.653) 7.424 2.624 ( -7.840 -5.105 0.956) 9.404 2.810 ( 0.901 3.924 -2.925) 4.976 2.919 ( -7.409 12.672 0.782) 14.699 3.295 ( -1.011 -18.002 -1.005) 18.058 3.978 ( 4.919 -0.862 -1.530) 5.223 4.087 ( 15.274 -1.664 12.721) 19.947 4.377 ( 1.910 -0.693 -7.291) 7.569 4.519 ( -4.600 -1.213 5.612) 7.357 4.825 ( -5.960 -0.800 -0.311) 6.022 5.466 ( 3.596 1.773 -3.224) 5.145 5.564 ( 8.573 6.184 3.976) 11.294 5.991 ( 3.391 -5.005 -1.495) 6.228 6.206 ( -13.352 -4.859 0.853) 14.234 6.596 ( -8.434 -1.326 -2.374) 8.861 7.406 ( 2.690 5.468 0.540) 6.118 7.706 ( 6.320 4.372 5.772) 9.611 8.009 ( -8.580 -7.151 1.000) 11.214 8.468 ( -12.383 1.462 -1.903) 12.613 8.851 ( 11.734 6.790 3.868) 14.098 9.167 ( 7.430 3.004 6.577) 10.367 9.647 ( 4.333 1.217 -5.654) 7.226 9.679 ( -0.815 -4.080 -4.331) 6.006 10.472 ( -3.197 1.728 -5.658) 6.725 10.497 ( -6.107 -1.681 4.099) 7.545 10.709 ( -7.999 -4.705 -1.843) 9.461 10.984 ( -7.545 -0.580 1.428) 7.701 11.386 ( 1.865 1.509 7.276) 7.662 11.561 ( -1.950 0.893 -9.811) 10.043 12.337 ( 9.856 -0.370 -0.756) 9.892 14.552 ( -0.935 3.172 -0.644) 3.369 14.861 ( 2.763 -2.542 0.659) 3.812 ======================= Grid point 536 (272/275) ======================= q-point: (-0.44 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -5.434 -2.278 2.207) 6.292 2.326 ( -10.498 -0.997 0.643) 10.565 2.571 ( -2.152 0.346 -1.369) 2.573 2.717 ( 0.356 13.871 -0.966) 13.909 2.767 ( -2.110 1.850 0.482) 2.847 3.510 ( 2.222 -17.085 -0.641) 17.241 4.087 ( 4.723 -4.744 -0.248) 6.698 4.317 ( 6.633 2.472 3.553) 7.920 4.416 ( 4.124 -3.240 -2.937) 6.011 4.475 ( -4.278 -1.474 7.224) 8.524 4.774 ( -2.137 -3.887 -2.322) 5.007 5.470 ( 0.686 1.616 -1.863) 2.560 5.595 ( 5.991 10.978 1.723) 12.624 6.076 ( -11.361 -9.148 0.707) 14.604 6.145 ( 5.800 -8.283 1.353) 10.202 6.470 ( -7.510 -0.498 -3.857) 8.457 7.360 ( 0.522 6.703 0.342) 6.732 7.743 ( 2.809 2.571 2.248) 4.422 8.004 ( -1.519 -2.601 1.896) 3.559 8.267 ( -9.313 -0.524 -1.899) 9.519 8.888 ( 5.862 16.343 3.680) 17.748 9.191 ( 2.607 10.107 1.573) 10.555 9.649 ( -1.092 -7.899 -4.498) 9.155 9.814 ( 6.636 -4.111 1.954) 8.047 10.392 ( -2.118 0.739 -4.985) 5.467 10.431 ( -5.336 -0.964 3.010) 6.201 10.670 ( -3.458 -6.951 -2.024) 8.023 10.912 ( -4.416 -2.854 1.681) 5.520 11.404 ( 1.267 3.290 6.142) 7.082 11.495 ( -1.416 1.644 -7.904) 8.196 12.455 ( 4.432 -0.561 -0.480) 4.494 14.506 ( 0.111 4.085 -0.361) 4.103 14.924 ( 1.201 -2.942 0.273) 3.190 ======================= Grid point 537 (273/275) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 0.000 -0.076 0.000) 0.076 2.279 ( -0.000 -7.548 0.000) 7.548 2.518 ( 0.000 5.990 0.000) 5.990 2.616 ( -0.000 4.897 0.000) 4.897 2.725 ( 0.000 1.922 0.000) 1.922 3.691 ( -0.000 -12.232 0.000) 12.232 4.201 ( 0.000 -7.131 0.000) 7.131 4.317 ( -0.000 3.084 -0.000) 3.084 4.438 ( -0.000 -0.683 0.000) 0.683 4.520 ( -0.000 -3.942 0.000) 3.942 4.823 ( 0.000 -6.605 0.000) 6.605 5.458 ( -0.000 1.071 0.000) 1.071 5.525 ( -0.000 11.919 0.000) 11.919 6.091 ( -0.000 -12.667 0.000) 12.667 6.338 ( -0.000 -11.736 -0.000) 11.736 6.349 ( 0.000 4.119 0.000) 4.119 7.299 ( -0.000 5.070 0.000) 5.070 7.785 ( 0.000 -3.238 0.000) 3.238 7.931 ( -0.000 9.997 0.000) 9.997 8.237 ( -0.000 -5.895 0.000) 5.895 8.730 ( 0.000 20.200 0.000) 20.200 9.059 ( -0.000 16.828 0.000) 16.828 9.745 ( -0.000 -9.775 0.000) 9.775 9.936 ( 0.000 -6.122 0.000) 6.122 10.381 ( 0.000 0.490 -0.000) 0.490 10.381 ( -0.000 -2.768 0.000) 2.768 10.716 ( -0.000 -6.079 0.000) 6.079 10.917 ( -0.000 -4.415 0.000) 4.415 11.378 ( -0.000 5.492 -0.000) 5.492 11.451 ( -0.000 1.617 0.000) 1.617 12.496 ( 0.000 -0.717 0.000) 0.717 14.464 ( -0.000 3.803 0.000) 3.803 14.963 ( -0.000 -2.425 0.000) 2.425 ======================= Grid point 545 (274/275) ======================= q-point: ( 0.44 -0.56 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -7.536 -0.000 1.225) 7.635 2.335 ( -13.414 -0.000 0.118) 13.415 2.564 ( 1.117 0.000 0.370) 1.176 2.792 ( -1.682 -0.000 0.577) 1.779 3.069 ( 0.409 0.000 -0.407) 0.577 3.128 ( 2.536 0.000 -0.830) 2.668 4.030 ( 3.575 0.000 -1.685) 3.952 4.351 ( 11.896 0.000 10.741) 16.028 4.383 ( 1.569 0.000 -5.953) 6.156 4.453 ( -4.260 -0.000 5.529) 6.980 4.730 ( -4.167 -0.000 -3.137) 5.216 5.491 ( 0.198 0.000 -1.718) 1.730 5.753 ( 7.296 0.000 3.898) 8.272 5.984 ( -10.487 -0.000 0.271) 10.490 6.001 ( 2.537 0.000 -1.899) 3.169 6.467 ( -5.725 -0.000 -2.113) 6.103 7.445 ( -0.260 -0.000 -0.530) 0.591 7.824 ( -6.442 -0.000 0.058) 6.443 7.905 ( 9.652 0.000 7.262) 12.079 8.272 ( -11.426 -0.000 -3.634) 11.990 9.111 ( 13.063 0.000 4.860) 13.937 9.301 ( 3.906 0.000 4.831) 6.212 9.513 ( -8.812 -0.000 -7.125) 11.332 9.780 ( 6.950 0.000 -1.592) 7.130 10.411 ( -2.959 -0.000 -0.988) 3.119 10.450 ( -1.746 -0.000 0.321) 1.775 10.549 ( -5.670 -0.000 -2.244) 6.098 10.880 ( -5.289 -0.000 1.221) 5.428 11.439 ( 1.095 0.000 8.252) 8.324 11.515 ( -1.077 -0.000 -9.736) 9.796 12.449 ( 4.520 0.000 -0.591) 4.559 14.561 ( -0.052 -0.000 -0.311) 0.315 14.882 ( 1.370 0.000 0.283) 1.399 ======================= Grid point 547 (275/275) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 0.000 -3.409 0.000) 3.409 2.216 ( 0.000 0.084 0.000) 0.084 2.571 ( 0.000 0.606 0.000) 0.606 2.771 ( -0.000 1.581 0.000) 1.581 2.900 ( -0.000 18.038 0.000) 18.038 3.331 ( -0.000 -19.299 0.000) 19.299 4.079 ( 0.000 -3.389 0.000) 3.389 4.399 ( 0.000 -1.563 -0.000) 1.563 4.402 ( -0.000 3.226 0.000) 3.226 4.479 ( -0.000 -0.635 -0.000) 0.635 4.705 ( 0.000 -3.636 0.000) 3.636 5.483 ( -0.000 0.897 0.000) 0.897 5.782 ( -0.000 10.890 0.000) 10.890 5.885 ( 0.000 -5.432 0.000) 5.432 6.094 ( -0.000 -10.358 0.000) 10.358 6.406 ( 0.000 1.284 0.000) 1.284 7.419 ( -0.000 3.839 0.000) 3.839 7.761 ( -0.000 1.042 0.000) 1.042 8.081 ( 0.000 3.619 0.000) 3.619 8.100 ( -0.000 -5.383 -0.000) 5.383 9.145 ( 0.000 17.980 0.000) 17.980 9.306 ( -0.000 5.450 0.000) 5.450 9.492 ( -0.000 -13.918 0.000) 13.918 9.849 ( 0.000 -1.559 0.000) 1.559 10.385 ( 0.000 0.036 -0.000) 0.036 10.398 ( -0.000 3.899 0.000) 3.899 10.558 ( -0.000 -7.645 0.000) 7.645 10.844 ( 0.000 -1.947 0.000) 1.947 11.461 ( -0.000 2.017 -0.000) 2.017 11.477 ( 0.000 0.653 0.000) 0.653 12.485 ( 0.000 -0.266 0.000) 0.266 14.545 ( -0.000 2.810 0.000) 2.810 14.906 ( -0.000 -2.152 0.000) 2.152 =================== 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 3/32076 10.0 1234.320 1269.432 1087.266 -0.000 -181.396 -0.000 3/32076 20.0 263.399 212.440 226.955 -0.000 -37.627 -0.000 3/32076 30.0 93.237 76.459 87.886 -0.000 -12.351 -0.000 3/32076 40.0 49.108 40.722 48.812 -0.000 -6.247 -0.000 3/32076 50.0 31.540 26.347 32.391 -0.000 -3.899 -0.000 3/32076 60.0 22.632 19.004 23.755 -0.000 -2.733 -0.000 3/32076 70.0 17.405 14.673 18.550 -0.000 -2.058 -0.000 3/32076 80.0 14.034 11.868 15.120 -0.000 -1.628 -0.000 3/32076 90.0 11.712 9.927 12.715 -0.000 -1.333 -0.000 3/32076 100.0 10.030 8.517 10.949 -0.000 -1.122 -0.000 3/32076 110.0 8.766 7.453 9.606 -0.000 -0.965 -0.000 3/32076 120.0 7.785 6.624 8.555 -0.000 -0.844 -0.000 3/32076 130.0 7.004 5.961 7.711 -0.000 -0.749 -0.000 3/32076 140.0 6.368 5.421 7.022 -0.000 -0.673 -0.000 3/32076 150.0 5.841 4.972 6.448 -0.000 -0.611 -0.000 3/32076 160.0 5.398 4.593 5.963 -0.000 -0.559 -0.000 3/32076 170.0 5.019 4.270 5.548 -0.000 -0.516 -0.000 3/32076 180.0 4.692 3.990 5.189 -0.000 -0.478 -0.000 3/32076 190.0 4.407 3.746 4.875 -0.000 -0.446 -0.000 3/32076 200.0 4.156 3.530 4.598 -0.000 -0.418 -0.000 3/32076 210.0 3.933 3.339 4.352 -0.000 -0.394 -0.000 3/32076 220.0 3.733 3.168 4.132 -0.000 -0.372 -0.000 3/32076 230.0 3.554 3.015 3.934 -0.000 -0.353 -0.000 3/32076 240.0 3.392 2.876 3.755 -0.000 -0.336 -0.000 3/32076 250.0 3.244 2.749 3.592 -0.000 -0.320 -0.000 3/32076 260.0 3.109 2.634 3.442 -0.000 -0.306 -0.000 3/32076 270.0 2.985 2.528 3.306 -0.000 -0.293 -0.000 3/32076 280.0 2.871 2.431 3.179 -0.000 -0.281 -0.000 3/32076 290.0 2.766 2.340 3.063 -0.000 -0.270 -0.000 3/32076 300.0 2.668 2.257 2.955 -0.000 -0.260 -0.000 3/32076 310.0 2.577 2.179 2.854 -0.000 -0.251 -0.000 3/32076 320.0 2.492 2.107 2.760 -0.000 -0.242 -0.000 3/32076 330.0 2.413 2.040 2.673 -0.000 -0.234 -0.000 3/32076 340.0 2.339 1.976 2.591 -0.000 -0.226 -0.000 3/32076 350.0 2.269 1.917 2.513 -0.000 -0.219 -0.000 3/32076 360.0 2.203 1.861 2.441 -0.000 -0.213 -0.000 3/32076 370.0 2.141 1.808 2.372 -0.000 -0.207 -0.000 3/32076 380.0 2.083 1.759 2.308 -0.000 -0.201 -0.000 3/32076 390.0 2.028 1.712 2.247 -0.000 -0.195 -0.000 3/32076 400.0 1.975 1.667 2.189 -0.000 -0.190 -0.000 3/32076 410.0 1.926 1.625 2.134 -0.000 -0.185 -0.000 3/32076 420.0 1.878 1.585 2.081 -0.000 -0.181 -0.000 3/32076 430.0 1.834 1.547 2.032 -0.000 -0.176 -0.000 3/32076 440.0 1.791 1.511 1.984 -0.000 -0.172 -0.000 3/32076 450.0 1.750 1.476 1.939 -0.000 -0.168 -0.000 3/32076 460.0 1.711 1.443 1.896 -0.000 -0.164 -0.000 3/32076 470.0 1.674 1.411 1.855 -0.000 -0.160 -0.000 3/32076 480.0 1.638 1.381 1.815 -0.000 -0.157 -0.000 3/32076 490.0 1.604 1.352 1.777 -0.000 -0.154 -0.000 3/32076 500.0 1.571 1.324 1.741 -0.000 -0.150 -0.000 3/32076 510.0 1.540 1.298 1.706 -0.000 -0.147 -0.000 3/32076 520.0 1.510 1.272 1.673 -0.000 -0.144 -0.000 3/32076 530.0 1.481 1.248 1.641 -0.000 -0.142 -0.000 3/32076 540.0 1.453 1.224 1.610 -0.000 -0.139 -0.000 3/32076 550.0 1.426 1.201 1.580 -0.000 -0.136 -0.000 3/32076 560.0 1.400 1.180 1.552 -0.000 -0.134 -0.000 3/32076 570.0 1.375 1.158 1.524 -0.000 -0.131 -0.000 3/32076 580.0 1.351 1.138 1.497 -0.000 -0.129 -0.000 3/32076 590.0 1.328 1.118 1.472 -0.000 -0.127 -0.000 3/32076 600.0 1.305 1.099 1.447 -0.000 -0.125 -0.000 3/32076 610.0 1.284 1.081 1.423 -0.000 -0.122 -0.000 3/32076 620.0 1.263 1.063 1.399 -0.000 -0.120 -0.000 3/32076 630.0 1.242 1.046 1.377 -0.000 -0.118 -0.000 3/32076 640.0 1.223 1.030 1.355 -0.000 -0.117 -0.000 3/32076 650.0 1.204 1.014 1.334 -0.000 -0.115 -0.000 3/32076 660.0 1.185 0.998 1.314 -0.000 -0.113 -0.000 3/32076 670.0 1.167 0.983 1.294 -0.000 -0.111 -0.000 3/32076 680.0 1.150 0.968 1.275 -0.000 -0.110 -0.000 3/32076 690.0 1.133 0.954 1.256 -0.000 -0.108 -0.000 3/32076 700.0 1.117 0.940 1.238 -0.000 -0.106 -0.000 3/32076 710.0 1.101 0.927 1.220 -0.000 -0.105 -0.000 3/32076 720.0 1.085 0.914 1.203 -0.000 -0.103 -0.000 3/32076 730.0 1.070 0.901 1.187 -0.000 -0.102 -0.000 3/32076 740.0 1.056 0.889 1.170 -0.000 -0.101 -0.000 3/32076 750.0 1.042 0.877 1.155 -0.000 -0.099 -0.000 3/32076 760.0 1.028 0.865 1.139 -0.000 -0.098 -0.000 3/32076 770.0 1.014 0.854 1.124 -0.000 -0.097 -0.000 3/32076 780.0 1.001 0.843 1.110 -0.000 -0.095 -0.000 3/32076 790.0 0.988 0.832 1.096 -0.000 -0.094 -0.000 3/32076 800.0 0.976 0.821 1.082 -0.000 -0.093 -0.000 3/32076 810.0 0.964 0.811 1.068 -0.000 -0.092 -0.000 3/32076 820.0 0.952 0.801 1.055 -0.000 -0.091 -0.000 3/32076 830.0 0.940 0.792 1.043 -0.000 -0.089 -0.000 3/32076 840.0 0.929 0.782 1.030 -0.000 -0.088 -0.000 3/32076 850.0 0.918 0.773 1.018 -0.000 -0.087 -0.000 3/32076 860.0 0.907 0.764 1.006 -0.000 -0.086 -0.000 3/32076 870.0 0.897 0.755 0.994 -0.000 -0.085 -0.000 3/32076 880.0 0.887 0.746 0.983 -0.000 -0.084 -0.000 3/32076 890.0 0.877 0.738 0.972 -0.000 -0.083 -0.000 3/32076 900.0 0.867 0.729 0.961 -0.000 -0.082 -0.000 3/32076 910.0 0.857 0.721 0.950 -0.000 -0.081 -0.000 3/32076 920.0 0.848 0.713 0.940 -0.000 -0.081 -0.000 3/32076 930.0 0.839 0.706 0.930 -0.000 -0.080 -0.000 3/32076 940.0 0.830 0.698 0.920 -0.000 -0.079 -0.000 3/32076 950.0 0.821 0.691 0.910 -0.000 -0.078 -0.000 3/32076 960.0 0.812 0.684 0.901 -0.000 -0.077 -0.000 3/32076 970.0 0.804 0.676 0.891 -0.000 -0.076 -0.000 3/32076 980.0 0.796 0.670 0.882 -0.000 -0.076 -0.000 3/32076 990.0 0.788 0.663 0.873 -0.000 -0.075 -0.000 3/32076 1000.0 0.780 0.656 0.864 -0.000 -0.074 -0.000 3/32076 Thermal conductivity related properties were written into "kappa-m9912.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:33:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|