----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:28:34]------------------------- 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: [1 2 2] 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: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.920962220000437 -3.796563110000000 0.000000000000000 b 5.920962220000437 3.796563110000000 0.000000000000000 c -2.175498248876927 0.000000000000000 5.618737484112879 Atomic positions (fractional): *1 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 *2 O 0.48614390916393 0.12768206054287 0.73859453984683 15.999 3 O 0.87231793945713 0.51385609083607 0.26140546015317 15.999 4 O 0.51385609083607 0.87231793945713 0.26140546015317 15.999 5 O 0.12768206054287 0.48614390916393 0.73859453984683 15.999 *6 O 0.69296050952195 0.69296050952195 0.87153708318626 15.999 7 O 0.30703949047805 0.30703949047805 0.12846291681374 15.999 *8 Si 0.35290475127324 0.35290475127324 0.89914371851219 28.085 9 Si 0.64709524872676 0.64709524872676 0.10085628148781 28.085 *10 Hg 0.35338961644182 0.87840341693447 0.58354431587827 200.590 11 Hg 0.12159658306553 0.64661038355818 0.41645568412173 200.590 12 Hg 0.64661038355818 0.12159658306553 0.41645568412173 200.590 13 Hg 0.87840341693447 0.35338961644182 0.58354431587827 200.590 *14 Hg 0.88529064788121 0.88529064788121 0.95225448828791 200.590 15 Hg 0.11470935211879 0.11470935211879 0.04774551171209 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.841924440000874 0.000000000000000 0.000000000000000 b 0.000000000000000 7.593126219999999 0.000000000000000 c -2.175498248876927 0.000000000000000 5.618737484112879 Atomic positions (fractional): *1 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 1 *2 O 0.30691298485340 0.82076907568947 0.73859453984683 15.999 > 2 3 O 0.69308701514660 0.82076907568947 0.26140546015317 15.999 > 3 4 O 0.69308701514660 0.17923092431053 0.26140546015317 15.999 > 4 5 O 0.30691298485340 0.17923092431053 0.73859453984683 15.999 > 5 *6 O 0.69296050952195 0.00000000000000 0.87153708318626 15.999 > 6 7 O 0.30703949047805 0.00000000000000 0.12846291681374 15.999 > 7 8 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 1 9 O 0.80691298485340 0.32076907568947 0.73859453984683 15.999 > 2 10 O 0.19308701514660 0.32076907568947 0.26140546015317 15.999 > 3 11 O 0.19308701514660 0.67923092431053 0.26140546015317 15.999 > 4 12 O 0.80691298485340 0.67923092431053 0.73859453984683 15.999 > 5 13 O 0.19296050952196 0.50000000000000 0.87153708318626 15.999 > 6 14 O 0.80703949047805 0.50000000000000 0.12846291681374 15.999 > 7 *15 Si 0.35290475127324 0.00000000000000 0.89914371851219 28.085 > 8 16 Si 0.64709524872676 0.00000000000000 0.10085628148781 28.085 > 9 17 Si 0.85290475127324 0.50000000000000 0.89914371851219 28.085 > 8 18 Si 0.14709524872676 0.50000000000000 0.10085628148781 28.085 > 9 *19 Hg 0.61589651668814 0.26250690024633 0.58354431587827 200.590 > 10 20 Hg 0.38410348331186 0.26250690024633 0.41645568412173 200.590 > 11 21 Hg 0.38410348331186 0.73749309975367 0.41645568412173 200.590 > 12 22 Hg 0.61589651668814 0.73749309975367 0.58354431587827 200.590 > 13 *23 Hg 0.88529064788121 0.00000000000000 0.95225448828791 200.590 > 14 24 Hg 0.11470935211879 0.00000000000000 0.04774551171209 200.590 > 15 25 Hg 0.11589651668815 0.76250690024633 0.58354431587827 200.590 > 10 26 Hg 0.88410348331186 0.76250690024633 0.41645568412173 200.590 > 11 27 Hg 0.88410348331186 0.23749309975367 0.41645568412173 200.590 > 12 28 Hg 0.11589651668815 0.23749309975367 0.58354431587827 200.590 > 13 29 Hg 0.38529064788121 0.50000000000000 0.95225448828791 200.590 > 14 30 Hg 0.61470935211879 0.50000000000000 0.04774551171209 200.590 > 15 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.841924440000874 0.000000000000000 0.000000000000000 b 0.000000000000000 15.186252439999999 0.000000000000000 c -4.350996497753854 0.000000000000000 11.237474968225758 Atomic positions (fractional): *1 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 1 2 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 1 3 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 1 4 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 1 *5 O 0.30691298485340 0.41038453784474 0.36929726992342 15.999 > 2 6 O 0.30691298485340 0.91038453784474 0.36929726992342 15.999 > 2 7 O 0.30691298485340 0.41038453784474 0.86929726992342 15.999 > 2 8 O 0.30691298485340 0.91038453784474 0.86929726992342 15.999 > 2 9 O 0.69308701514660 0.41038453784474 0.13070273007658 15.999 > 3 10 O 0.69308701514660 0.91038453784474 0.13070273007658 15.999 > 3 11 O 0.69308701514660 0.41038453784474 0.63070273007658 15.999 > 3 12 O 0.69308701514660 0.91038453784474 0.63070273007658 15.999 > 3 13 O 0.69308701514660 0.08961546215526 0.13070273007658 15.999 > 4 14 O 0.69308701514660 0.58961546215526 0.13070273007658 15.999 > 4 15 O 0.69308701514660 0.08961546215526 0.63070273007658 15.999 > 4 16 O 0.69308701514660 0.58961546215526 0.63070273007658 15.999 > 4 17 O 0.30691298485340 0.08961546215526 0.36929726992342 15.999 > 5 18 O 0.30691298485340 0.58961546215526 0.36929726992342 15.999 > 5 19 O 0.30691298485340 0.08961546215526 0.86929726992342 15.999 > 5 20 O 0.30691298485340 0.58961546215526 0.86929726992342 15.999 > 5 *21 O 0.69296050952195 0.00000000000000 0.43576854159313 15.999 > 6 22 O 0.69296050952195 0.50000000000000 0.43576854159313 15.999 > 6 23 O 0.69296050952195 0.00000000000000 0.93576854159313 15.999 > 6 24 O 0.69296050952195 0.50000000000000 0.93576854159313 15.999 > 6 25 O 0.30703949047805 0.00000000000000 0.06423145840687 15.999 > 7 26 O 0.30703949047805 0.50000000000000 0.06423145840687 15.999 > 7 27 O 0.30703949047805 0.00000000000000 0.56423145840687 15.999 > 7 28 O 0.30703949047805 0.50000000000000 0.56423145840687 15.999 > 7 29 O 0.00000000000000 0.25000000000000 0.00000000000000 15.999 > 1 30 O 0.00000000000000 0.75000000000000 0.00000000000000 15.999 > 1 31 O 0.00000000000000 0.25000000000000 0.50000000000000 15.999 > 1 32 O 0.00000000000000 0.75000000000000 0.50000000000000 15.999 > 1 33 O 0.80691298485340 0.16038453784474 0.36929726992342 15.999 > 2 34 O 0.80691298485340 0.66038453784474 0.36929726992342 15.999 > 2 35 O 0.80691298485340 0.16038453784474 0.86929726992342 15.999 > 2 36 O 0.80691298485340 0.66038453784474 0.86929726992342 15.999 > 2 37 O 0.19308701514660 0.16038453784474 0.13070273007658 15.999 > 3 38 O 0.19308701514660 0.66038453784474 0.13070273007658 15.999 > 3 39 O 0.19308701514660 0.16038453784474 0.63070273007658 15.999 > 3 40 O 0.19308701514660 0.66038453784474 0.63070273007658 15.999 > 3 41 O 0.19308701514660 0.33961546215526 0.13070273007658 15.999 > 4 42 O 0.19308701514660 0.83961546215526 0.13070273007658 15.999 > 4 43 O 0.19308701514660 0.33961546215526 0.63070273007658 15.999 > 4 44 O 0.19308701514660 0.83961546215526 0.63070273007658 15.999 > 4 45 O 0.80691298485340 0.33961546215526 0.36929726992342 15.999 > 5 46 O 0.80691298485340 0.83961546215526 0.36929726992342 15.999 > 5 47 O 0.80691298485340 0.33961546215526 0.86929726992342 15.999 > 5 48 O 0.80691298485340 0.83961546215526 0.86929726992342 15.999 > 5 49 O 0.19296050952196 0.25000000000000 0.43576854159313 15.999 > 6 50 O 0.19296050952196 0.75000000000000 0.43576854159313 15.999 > 6 51 O 0.19296050952196 0.25000000000000 0.93576854159313 15.999 > 6 52 O 0.19296050952196 0.75000000000000 0.93576854159313 15.999 > 6 53 O 0.80703949047805 0.25000000000000 0.06423145840687 15.999 > 7 54 O 0.80703949047805 0.75000000000000 0.06423145840687 15.999 > 7 55 O 0.80703949047805 0.25000000000000 0.56423145840687 15.999 > 7 56 O 0.80703949047805 0.75000000000000 0.56423145840687 15.999 > 7 *57 Si 0.35290475127324 0.00000000000000 0.44957185925609 28.085 > 8 58 Si 0.35290475127324 0.50000000000000 0.44957185925609 28.085 > 8 59 Si 0.35290475127324 0.00000000000000 0.94957185925609 28.085 > 8 60 Si 0.35290475127324 0.50000000000000 0.94957185925609 28.085 > 8 61 Si 0.64709524872676 0.00000000000000 0.05042814074391 28.085 > 9 62 Si 0.64709524872676 0.50000000000000 0.05042814074391 28.085 > 9 63 Si 0.64709524872676 0.00000000000000 0.55042814074391 28.085 > 9 64 Si 0.64709524872676 0.50000000000000 0.55042814074391 28.085 > 9 65 Si 0.85290475127324 0.25000000000000 0.44957185925609 28.085 > 8 66 Si 0.85290475127324 0.75000000000000 0.44957185925609 28.085 > 8 67 Si 0.85290475127324 0.25000000000000 0.94957185925609 28.085 > 8 68 Si 0.85290475127324 0.75000000000000 0.94957185925609 28.085 > 8 69 Si 0.14709524872676 0.25000000000000 0.05042814074391 28.085 > 9 70 Si 0.14709524872676 0.75000000000000 0.05042814074391 28.085 > 9 71 Si 0.14709524872676 0.25000000000000 0.55042814074391 28.085 > 9 72 Si 0.14709524872676 0.75000000000000 0.55042814074391 28.085 > 9 *73 Hg 0.61589651668814 0.13125345012316 0.29177215793914 200.590 > 10 74 Hg 0.61589651668814 0.63125345012316 0.29177215793914 200.590 > 10 75 Hg 0.61589651668814 0.13125345012316 0.79177215793914 200.590 > 10 76 Hg 0.61589651668814 0.63125345012316 0.79177215793914 200.590 > 10 77 Hg 0.38410348331186 0.13125345012316 0.20822784206086 200.590 > 11 78 Hg 0.38410348331186 0.63125345012316 0.20822784206086 200.590 > 11 79 Hg 0.38410348331186 0.13125345012316 0.70822784206086 200.590 > 11 80 Hg 0.38410348331186 0.63125345012316 0.70822784206086 200.590 > 11 81 Hg 0.38410348331186 0.36874654987684 0.20822784206086 200.590 > 12 82 Hg 0.38410348331186 0.86874654987684 0.20822784206086 200.590 > 12 83 Hg 0.38410348331186 0.36874654987684 0.70822784206086 200.590 > 12 84 Hg 0.38410348331186 0.86874654987684 0.70822784206086 200.590 > 12 85 Hg 0.61589651668814 0.36874654987684 0.29177215793914 200.590 > 13 86 Hg 0.61589651668814 0.86874654987684 0.29177215793914 200.590 > 13 87 Hg 0.61589651668814 0.36874654987684 0.79177215793914 200.590 > 13 88 Hg 0.61589651668814 0.86874654987684 0.79177215793914 200.590 > 13 *89 Hg 0.88529064788121 0.00000000000000 0.47612724414396 200.590 > 14 90 Hg 0.88529064788121 0.50000000000000 0.47612724414396 200.590 > 14 91 Hg 0.88529064788121 0.00000000000000 0.97612724414396 200.590 > 14 92 Hg 0.88529064788121 0.50000000000000 0.97612724414396 200.590 > 14 93 Hg 0.11470935211879 0.00000000000000 0.02387275585604 200.590 > 15 94 Hg 0.11470935211879 0.50000000000000 0.02387275585604 200.590 > 15 95 Hg 0.11470935211879 0.00000000000000 0.52387275585604 200.590 > 15 96 Hg 0.11470935211879 0.50000000000000 0.52387275585604 200.590 > 15 97 Hg 0.11589651668815 0.38125345012316 0.29177215793914 200.590 > 10 98 Hg 0.11589651668815 0.88125345012316 0.29177215793914 200.590 > 10 99 Hg 0.11589651668815 0.38125345012316 0.79177215793914 200.590 > 10 100 Hg 0.11589651668815 0.88125345012316 0.79177215793914 200.590 > 10 101 Hg 0.88410348331186 0.38125345012316 0.20822784206086 200.590 > 11 102 Hg 0.88410348331186 0.88125345012316 0.20822784206086 200.590 > 11 103 Hg 0.88410348331186 0.38125345012316 0.70822784206086 200.590 > 11 104 Hg 0.88410348331186 0.88125345012316 0.70822784206086 200.590 > 11 105 Hg 0.88410348331186 0.11874654987684 0.20822784206086 200.590 > 12 106 Hg 0.88410348331186 0.61874654987684 0.20822784206086 200.590 > 12 107 Hg 0.88410348331186 0.11874654987684 0.70822784206086 200.590 > 12 108 Hg 0.88410348331186 0.61874654987684 0.70822784206086 200.590 > 12 109 Hg 0.11589651668815 0.11874654987684 0.29177215793914 200.590 > 13 110 Hg 0.11589651668815 0.61874654987684 0.29177215793914 200.590 > 13 111 Hg 0.11589651668815 0.11874654987684 0.79177215793914 200.590 > 13 112 Hg 0.11589651668815 0.61874654987684 0.79177215793914 200.590 > 13 113 Hg 0.38529064788121 0.25000000000000 0.47612724414396 200.590 > 14 114 Hg 0.38529064788121 0.75000000000000 0.47612724414396 200.590 > 14 115 Hg 0.38529064788121 0.25000000000000 0.97612724414396 200.590 > 14 116 Hg 0.38529064788121 0.75000000000000 0.97612724414396 200.590 > 14 117 Hg 0.61470935211879 0.25000000000000 0.02387275585604 200.590 > 15 118 Hg 0.61470935211879 0.75000000000000 0.02387275585604 200.590 > 15 119 Hg 0.61470935211879 0.25000000000000 0.52387275585604 200.590 > 15 120 Hg 0.61470935211879 0.75000000000000 0.52387275585604 200.590 > 15 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3565757 0.0000000 0.4943923 0.0000000 5.1374930 0.0000000 0.4943929 0.0000000 5.7477467 -------------------------- Born effective charges -------------------------- 1 O -4.3410550 0.0000000 -1.1199902 0.0000000 -1.3262692 0.0000000 -1.1433296 0.0000000 -1.7490958 2 O -2.6634127 -0.1079236 -0.3084729 0.1140760 -2.2495594 -0.6384313 -0.2380357 -0.5865413 -2.0444517 3 O -2.6634127 0.1079236 -0.3084729 -0.1140760 -2.2495594 0.6384313 -0.2380357 0.5865413 -2.0444517 4 O -2.6634127 -0.1079236 -0.3084729 0.1140760 -2.2495594 -0.6384313 -0.2380357 -0.5865413 -2.0444517 5 O -2.6634127 0.1079236 -0.3084729 -0.1140760 -2.2495594 0.6384313 -0.2380357 0.5865413 -2.0444517 6 O -3.0603917 0.0000000 0.2787734 0.0000000 -1.8764973 0.0000000 -0.0506215 0.0000000 -2.3457755 7 O -3.0603917 0.0000000 0.2787734 0.0000000 -1.8764973 0.0000000 -0.0506215 0.0000000 -2.3457755 8 Si 3.5154252 0.0000000 -0.1388141 0.0000000 3.6693554 0.0000000 0.0202588 0.0000000 3.6658082 9 Si 3.5154252 0.0000000 -0.1388141 0.0000000 3.6693554 0.0000000 0.0202588 0.0000000 3.6658082 10 Hg 2.3831069 -0.1908142 0.2850106 -0.2936499 0.9401689 -0.2415492 0.3017752 -0.2515871 1.3710345 11 Hg 2.3831069 0.1908142 0.2850106 0.2936499 0.9401689 0.2415492 0.3017752 0.2515871 1.3710345 12 Hg 2.3831069 -0.1908142 0.2850106 -0.2936499 0.9401689 -0.2415492 0.3017752 -0.2515871 1.3710345 13 Hg 2.3831069 0.1908142 0.2850106 0.2936499 0.9401689 0.2415492 0.3017752 0.2515871 1.3710345 14 Hg 2.2761055 0.0000000 0.4669602 0.0000000 1.4890575 0.0000000 0.4745486 0.0000000 0.9013496 15 Hg 2.2761055 0.0000000 0.4669602 0.0000000 1.4890575 0.0000000 0.4745486 0.0000000 0.9013496 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 9882/9882 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2190 Number of blocks in projector: 2190 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: 502 Use submatrix version of eigh solver. (1) Block: 502 / 502 (2) Block: 250 / 502 (2) 239 eigenvectors found. (2) Block: 502 / 502 (2) 243 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 296 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 296 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 296 Use standard eigh solver. Tree of FC basis block matrices: - (2190, 2153), data: False |-- (296, 290), data: True |-- (296, 290), data: True |-- (296, 290), data: True |-- (400, 396), data: True |-- (400, 396), data: True |-- (502, 491), data: False |-- (502, 491), data: False |-- (502, 9), data: (502, 20) @ (20, 9) |-- (252, 243), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 480 - Time: 1.035 Solver_block: 200 / 480 - Time: 0.875 Solver_block: 300 / 480 - Time: 0.840 Solver_block: 400 / 480 - Time: 0.775 Solver_block: 480 / 480 - Time: 0.603 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.519 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 9882/9882 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2190 Number of blocks in projector: 2190 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: 502 Use submatrix version of eigh solver. (1) Block: 502 / 502 (2) Block: 250 / 502 (2) 239 eigenvectors found. (2) Block: 502 / 502 (2) 243 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 296 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 296 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 296 Use standard eigh solver. Tree of FC basis block matrices: - (2190, 2153), data: False |-- (296, 290), data: True |-- (296, 290), data: True |-- (296, 290), data: True |-- (400, 396), data: True |-- (400, 396), data: True |-- (502, 491), data: False |-- (502, 491), data: False |-- (502, 9), data: (502, 20) @ (20, 9) |-- (252, 243), data: True |-- (250, 239), 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 2026-01-08 07:29:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:29:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.920962220000437 -3.796563110000000 0.000000000000000 b 5.920962220000437 3.796563110000000 0.000000000000000 c -2.175498248876927 0.000000000000000 5.618737484112879 Atomic positions (fractional): 1 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 2 O 0.48614390916393 0.12768206054287 0.73859453984683 15.999 3 O 0.87231793945713 0.51385609083607 0.26140546015317 15.999 4 O 0.51385609083607 0.87231793945713 0.26140546015317 15.999 5 O 0.12768206054287 0.48614390916393 0.73859453984683 15.999 6 O 0.69296050952195 0.69296050952195 0.87153708318626 15.999 7 O 0.30703949047805 0.30703949047805 0.12846291681374 15.999 8 Si 0.35290475127324 0.35290475127324 0.89914371851219 28.085 9 Si 0.64709524872676 0.64709524872676 0.10085628148781 28.085 10 Hg 0.35338961644182 0.87840341693447 0.58354431587827 200.590 11 Hg 0.12159658306553 0.64661038355818 0.41645568412173 200.590 12 Hg 0.64661038355818 0.12159658306553 0.41645568412173 200.590 13 Hg 0.87840341693447 0.35338961644182 0.58354431587827 200.590 14 Hg 0.88529064788121 0.88529064788121 0.95225448828791 200.590 15 Hg 0.11470935211879 0.11470935211879 0.04774551171209 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.841924440000874 0.000000000000000 0.000000000000000 b 0.000000000000000 15.186252439999999 0.000000000000000 c -4.350996497753854 0.000000000000000 11.237474968225758 Atomic positions (fractional): 1 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 1 2 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 1 3 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 1 4 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 1 5 O 0.30691298485340 0.41038453784474 0.36929726992342 15.999 > 5 6 O 0.30691298485340 0.91038453784474 0.36929726992342 15.999 > 5 7 O 0.30691298485340 0.41038453784474 0.86929726992342 15.999 > 5 8 O 0.30691298485340 0.91038453784474 0.86929726992342 15.999 > 5 9 O 0.69308701514660 0.41038453784474 0.13070273007658 15.999 > 9 10 O 0.69308701514660 0.91038453784474 0.13070273007658 15.999 > 9 11 O 0.69308701514660 0.41038453784474 0.63070273007658 15.999 > 9 12 O 0.69308701514660 0.91038453784474 0.63070273007658 15.999 > 9 13 O 0.69308701514660 0.08961546215526 0.13070273007658 15.999 > 13 14 O 0.69308701514660 0.58961546215526 0.13070273007658 15.999 > 13 15 O 0.69308701514660 0.08961546215526 0.63070273007658 15.999 > 13 16 O 0.69308701514660 0.58961546215526 0.63070273007658 15.999 > 13 17 O 0.30691298485340 0.08961546215526 0.36929726992342 15.999 > 17 18 O 0.30691298485340 0.58961546215526 0.36929726992342 15.999 > 17 19 O 0.30691298485340 0.08961546215526 0.86929726992342 15.999 > 17 20 O 0.30691298485340 0.58961546215526 0.86929726992342 15.999 > 17 21 O 0.69296050952195 0.00000000000000 0.43576854159313 15.999 > 21 22 O 0.69296050952195 0.50000000000000 0.43576854159313 15.999 > 21 23 O 0.69296050952195 0.00000000000000 0.93576854159313 15.999 > 21 24 O 0.69296050952195 0.50000000000000 0.93576854159313 15.999 > 21 25 O 0.30703949047805 0.00000000000000 0.06423145840687 15.999 > 25 26 O 0.30703949047805 0.50000000000000 0.06423145840687 15.999 > 25 27 O 0.30703949047805 0.00000000000000 0.56423145840687 15.999 > 25 28 O 0.30703949047805 0.50000000000000 0.56423145840687 15.999 > 25 29 O 0.00000000000000 0.25000000000000 0.00000000000000 15.999 > 1 30 O 0.00000000000000 0.75000000000000 0.00000000000000 15.999 > 1 31 O 0.00000000000000 0.25000000000000 0.50000000000000 15.999 > 1 32 O 0.00000000000000 0.75000000000000 0.50000000000000 15.999 > 1 33 O 0.80691298485340 0.16038453784474 0.36929726992342 15.999 > 5 34 O 0.80691298485340 0.66038453784474 0.36929726992342 15.999 > 5 35 O 0.80691298485340 0.16038453784474 0.86929726992342 15.999 > 5 36 O 0.80691298485340 0.66038453784474 0.86929726992342 15.999 > 5 37 O 0.19308701514660 0.16038453784474 0.13070273007658 15.999 > 9 38 O 0.19308701514660 0.66038453784474 0.13070273007658 15.999 > 9 39 O 0.19308701514660 0.16038453784474 0.63070273007658 15.999 > 9 40 O 0.19308701514660 0.66038453784474 0.63070273007658 15.999 > 9 41 O 0.19308701514660 0.33961546215526 0.13070273007658 15.999 > 13 42 O 0.19308701514660 0.83961546215526 0.13070273007658 15.999 > 13 43 O 0.19308701514660 0.33961546215526 0.63070273007658 15.999 > 13 44 O 0.19308701514660 0.83961546215526 0.63070273007658 15.999 > 13 45 O 0.80691298485340 0.33961546215526 0.36929726992342 15.999 > 17 46 O 0.80691298485340 0.83961546215526 0.36929726992342 15.999 > 17 47 O 0.80691298485340 0.33961546215526 0.86929726992342 15.999 > 17 48 O 0.80691298485340 0.83961546215526 0.86929726992342 15.999 > 17 49 O 0.19296050952196 0.25000000000000 0.43576854159313 15.999 > 21 50 O 0.19296050952196 0.75000000000000 0.43576854159313 15.999 > 21 51 O 0.19296050952196 0.25000000000000 0.93576854159313 15.999 > 21 52 O 0.19296050952196 0.75000000000000 0.93576854159313 15.999 > 21 53 O 0.80703949047805 0.25000000000000 0.06423145840687 15.999 > 25 54 O 0.80703949047805 0.75000000000000 0.06423145840687 15.999 > 25 55 O 0.80703949047805 0.25000000000000 0.56423145840687 15.999 > 25 56 O 0.80703949047805 0.75000000000000 0.56423145840687 15.999 > 25 57 Si 0.35290475127324 0.00000000000000 0.44957185925609 28.085 > 57 58 Si 0.35290475127324 0.50000000000000 0.44957185925609 28.085 > 57 59 Si 0.35290475127324 0.00000000000000 0.94957185925609 28.085 > 57 60 Si 0.35290475127324 0.50000000000000 0.94957185925609 28.085 > 57 61 Si 0.64709524872676 0.00000000000000 0.05042814074391 28.085 > 61 62 Si 0.64709524872676 0.50000000000000 0.05042814074391 28.085 > 61 63 Si 0.64709524872676 0.00000000000000 0.55042814074391 28.085 > 61 64 Si 0.64709524872676 0.50000000000000 0.55042814074391 28.085 > 61 65 Si 0.85290475127324 0.25000000000000 0.44957185925609 28.085 > 57 66 Si 0.85290475127324 0.75000000000000 0.44957185925609 28.085 > 57 67 Si 0.85290475127324 0.25000000000000 0.94957185925609 28.085 > 57 68 Si 0.85290475127324 0.75000000000000 0.94957185925609 28.085 > 57 69 Si 0.14709524872676 0.25000000000000 0.05042814074391 28.085 > 61 70 Si 0.14709524872676 0.75000000000000 0.05042814074391 28.085 > 61 71 Si 0.14709524872676 0.25000000000000 0.55042814074391 28.085 > 61 72 Si 0.14709524872676 0.75000000000000 0.55042814074391 28.085 > 61 73 Hg 0.61589651668814 0.13125345012316 0.29177215793914 200.590 > 73 74 Hg 0.61589651668814 0.63125345012316 0.29177215793914 200.590 > 73 75 Hg 0.61589651668814 0.13125345012316 0.79177215793914 200.590 > 73 76 Hg 0.61589651668814 0.63125345012316 0.79177215793914 200.590 > 73 77 Hg 0.38410348331186 0.13125345012316 0.20822784206086 200.590 > 77 78 Hg 0.38410348331186 0.63125345012316 0.20822784206086 200.590 > 77 79 Hg 0.38410348331186 0.13125345012316 0.70822784206086 200.590 > 77 80 Hg 0.38410348331186 0.63125345012316 0.70822784206086 200.590 > 77 81 Hg 0.38410348331186 0.36874654987684 0.20822784206086 200.590 > 81 82 Hg 0.38410348331186 0.86874654987684 0.20822784206086 200.590 > 81 83 Hg 0.38410348331186 0.36874654987684 0.70822784206086 200.590 > 81 84 Hg 0.38410348331186 0.86874654987684 0.70822784206086 200.590 > 81 85 Hg 0.61589651668814 0.36874654987684 0.29177215793914 200.590 > 85 86 Hg 0.61589651668814 0.86874654987684 0.29177215793914 200.590 > 85 87 Hg 0.61589651668814 0.36874654987684 0.79177215793914 200.590 > 85 88 Hg 0.61589651668814 0.86874654987684 0.79177215793914 200.590 > 85 89 Hg 0.88529064788121 0.00000000000000 0.47612724414396 200.590 > 89 90 Hg 0.88529064788121 0.50000000000000 0.47612724414396 200.590 > 89 91 Hg 0.88529064788121 0.00000000000000 0.97612724414396 200.590 > 89 92 Hg 0.88529064788121 0.50000000000000 0.97612724414396 200.590 > 89 93 Hg 0.11470935211879 0.00000000000000 0.02387275585604 200.590 > 93 94 Hg 0.11470935211879 0.50000000000000 0.02387275585604 200.590 > 93 95 Hg 0.11470935211879 0.00000000000000 0.52387275585604 200.590 > 93 96 Hg 0.11470935211879 0.50000000000000 0.52387275585604 200.590 > 93 97 Hg 0.11589651668815 0.38125345012316 0.29177215793914 200.590 > 73 98 Hg 0.11589651668815 0.88125345012316 0.29177215793914 200.590 > 73 99 Hg 0.11589651668815 0.38125345012316 0.79177215793914 200.590 > 73 100 Hg 0.11589651668815 0.88125345012316 0.79177215793914 200.590 > 73 101 Hg 0.88410348331186 0.38125345012316 0.20822784206086 200.590 > 77 102 Hg 0.88410348331186 0.88125345012316 0.20822784206086 200.590 > 77 103 Hg 0.88410348331186 0.38125345012316 0.70822784206086 200.590 > 77 104 Hg 0.88410348331186 0.88125345012316 0.70822784206086 200.590 > 77 105 Hg 0.88410348331186 0.11874654987684 0.20822784206086 200.590 > 81 106 Hg 0.88410348331186 0.61874654987684 0.20822784206086 200.590 > 81 107 Hg 0.88410348331186 0.11874654987684 0.70822784206086 200.590 > 81 108 Hg 0.88410348331186 0.61874654987684 0.70822784206086 200.590 > 81 109 Hg 0.11589651668815 0.11874654987684 0.29177215793914 200.590 > 85 110 Hg 0.11589651668815 0.61874654987684 0.29177215793914 200.590 > 85 111 Hg 0.11589651668815 0.11874654987684 0.79177215793914 200.590 > 85 112 Hg 0.11589651668815 0.61874654987684 0.79177215793914 200.590 > 85 113 Hg 0.38529064788121 0.25000000000000 0.47612724414396 200.590 > 89 114 Hg 0.38529064788121 0.75000000000000 0.47612724414396 200.590 > 89 115 Hg 0.38529064788121 0.25000000000000 0.97612724414396 200.590 > 89 116 Hg 0.38529064788121 0.75000000000000 0.97612724414396 200.590 > 89 117 Hg 0.61470935211879 0.25000000000000 0.02387275585604 200.590 > 93 118 Hg 0.61470935211879 0.75000000000000 0.02387275585604 200.590 > 93 119 Hg 0.61470935211879 0.25000000000000 0.52387275585604 200.590 > 93 120 Hg 0.61470935211879 0.75000000000000 0.52387275585604 200.590 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3565757 0.0000000 0.4943923 0.0000000 5.1374930 0.0000000 0.4943929 0.0000000 5.7477467 -------------------------- Born effective charges -------------------------- 1 O -4.3410550 0.0000000 -1.1199902 0.0000000 -1.3262692 0.0000000 -1.1433296 0.0000000 -1.7490958 2 O -2.6634127 -0.1079236 -0.3084729 0.1140760 -2.2495594 -0.6384313 -0.2380357 -0.5865413 -2.0444517 3 O -2.6634127 0.1079236 -0.3084729 -0.1140760 -2.2495594 0.6384313 -0.2380357 0.5865413 -2.0444517 4 O -2.6634127 -0.1079236 -0.3084729 0.1140760 -2.2495594 -0.6384313 -0.2380357 -0.5865413 -2.0444517 5 O -2.6634127 0.1079236 -0.3084729 -0.1140760 -2.2495594 0.6384313 -0.2380357 0.5865413 -2.0444517 6 O -3.0603917 0.0000000 0.2787734 0.0000000 -1.8764973 0.0000000 -0.0506215 0.0000000 -2.3457755 7 O -3.0603917 0.0000000 0.2787734 0.0000000 -1.8764973 0.0000000 -0.0506215 0.0000000 -2.3457755 8 Si 3.5154252 0.0000000 -0.1388141 0.0000000 3.6693554 0.0000000 0.0202588 0.0000000 3.6658082 9 Si 3.5154252 0.0000000 -0.1388141 0.0000000 3.6693554 0.0000000 0.0202588 0.0000000 3.6658082 10 Hg 2.3831069 -0.1908142 0.2850106 -0.2936499 0.9401689 -0.2415492 0.3017752 -0.2515871 1.3710345 11 Hg 2.3831069 0.1908142 0.2850106 0.2936499 0.9401689 0.2415492 0.3017752 0.2515871 1.3710345 12 Hg 2.3831069 -0.1908142 0.2850106 -0.2936499 0.9401689 -0.2415492 0.3017752 -0.2515871 1.3710345 13 Hg 2.3831069 0.1908142 0.2850106 0.2936499 0.9401689 0.2415492 0.3017752 0.2515871 1.3710345 14 Hg 2.2761055 0.0000000 0.4669602 0.0000000 1.4890575 0.0000000 0.4745486 0.0000000 0.9013496 15 Hg 2.2761055 0.0000000 0.4669602 0.0000000 1.4890575 0.0000000 0.4745486 0.0000000 0.9013496 ---------------------------------------------------------------------------- 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 5, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 21, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 57, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000006 (zxz) 0.00000006 (zxz) 0.00000006 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (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 2026-01-08 07:29:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:29:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.920962220000437 -3.796563110000000 0.000000000000000 b 5.920962220000437 3.796563110000000 0.000000000000000 c -2.175498248876927 0.000000000000000 5.618737484112879 Atomic positions (fractional): 1 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 2 O 0.48614390916393 0.12768206054287 0.73859453984683 15.999 3 O 0.87231793945713 0.51385609083607 0.26140546015317 15.999 4 O 0.51385609083607 0.87231793945713 0.26140546015317 15.999 5 O 0.12768206054287 0.48614390916393 0.73859453984683 15.999 6 O 0.69296050952195 0.69296050952195 0.87153708318626 15.999 7 O 0.30703949047805 0.30703949047805 0.12846291681374 15.999 8 Si 0.35290475127324 0.35290475127324 0.89914371851219 28.085 9 Si 0.64709524872676 0.64709524872676 0.10085628148781 28.085 10 Hg 0.35338961644182 0.87840341693447 0.58354431587827 200.590 11 Hg 0.12159658306553 0.64661038355818 0.41645568412173 200.590 12 Hg 0.64661038355818 0.12159658306553 0.41645568412173 200.590 13 Hg 0.87840341693447 0.35338961644182 0.58354431587827 200.590 14 Hg 0.88529064788121 0.88529064788121 0.95225448828791 200.590 15 Hg 0.11470935211879 0.11470935211879 0.04774551171209 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.841924440000874 0.000000000000000 0.000000000000000 b 0.000000000000000 15.186252439999999 0.000000000000000 c -4.350996497753854 0.000000000000000 11.237474968225758 Atomic positions (fractional): 1 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 1 2 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 1 3 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 1 4 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 1 5 O 0.30691298485340 0.41038453784474 0.36929726992342 15.999 > 5 6 O 0.30691298485340 0.91038453784474 0.36929726992342 15.999 > 5 7 O 0.30691298485340 0.41038453784474 0.86929726992342 15.999 > 5 8 O 0.30691298485340 0.91038453784474 0.86929726992342 15.999 > 5 9 O 0.69308701514660 0.41038453784474 0.13070273007658 15.999 > 9 10 O 0.69308701514660 0.91038453784474 0.13070273007658 15.999 > 9 11 O 0.69308701514660 0.41038453784474 0.63070273007658 15.999 > 9 12 O 0.69308701514660 0.91038453784474 0.63070273007658 15.999 > 9 13 O 0.69308701514660 0.08961546215526 0.13070273007658 15.999 > 13 14 O 0.69308701514660 0.58961546215526 0.13070273007658 15.999 > 13 15 O 0.69308701514660 0.08961546215526 0.63070273007658 15.999 > 13 16 O 0.69308701514660 0.58961546215526 0.63070273007658 15.999 > 13 17 O 0.30691298485340 0.08961546215526 0.36929726992342 15.999 > 17 18 O 0.30691298485340 0.58961546215526 0.36929726992342 15.999 > 17 19 O 0.30691298485340 0.08961546215526 0.86929726992342 15.999 > 17 20 O 0.30691298485340 0.58961546215526 0.86929726992342 15.999 > 17 21 O 0.69296050952195 0.00000000000000 0.43576854159313 15.999 > 21 22 O 0.69296050952195 0.50000000000000 0.43576854159313 15.999 > 21 23 O 0.69296050952195 0.00000000000000 0.93576854159313 15.999 > 21 24 O 0.69296050952195 0.50000000000000 0.93576854159313 15.999 > 21 25 O 0.30703949047805 0.00000000000000 0.06423145840687 15.999 > 25 26 O 0.30703949047805 0.50000000000000 0.06423145840687 15.999 > 25 27 O 0.30703949047805 0.00000000000000 0.56423145840687 15.999 > 25 28 O 0.30703949047805 0.50000000000000 0.56423145840687 15.999 > 25 29 O 0.00000000000000 0.25000000000000 0.00000000000000 15.999 > 1 30 O 0.00000000000000 0.75000000000000 0.00000000000000 15.999 > 1 31 O 0.00000000000000 0.25000000000000 0.50000000000000 15.999 > 1 32 O 0.00000000000000 0.75000000000000 0.50000000000000 15.999 > 1 33 O 0.80691298485340 0.16038453784474 0.36929726992342 15.999 > 5 34 O 0.80691298485340 0.66038453784474 0.36929726992342 15.999 > 5 35 O 0.80691298485340 0.16038453784474 0.86929726992342 15.999 > 5 36 O 0.80691298485340 0.66038453784474 0.86929726992342 15.999 > 5 37 O 0.19308701514660 0.16038453784474 0.13070273007658 15.999 > 9 38 O 0.19308701514660 0.66038453784474 0.13070273007658 15.999 > 9 39 O 0.19308701514660 0.16038453784474 0.63070273007658 15.999 > 9 40 O 0.19308701514660 0.66038453784474 0.63070273007658 15.999 > 9 41 O 0.19308701514660 0.33961546215526 0.13070273007658 15.999 > 13 42 O 0.19308701514660 0.83961546215526 0.13070273007658 15.999 > 13 43 O 0.19308701514660 0.33961546215526 0.63070273007658 15.999 > 13 44 O 0.19308701514660 0.83961546215526 0.63070273007658 15.999 > 13 45 O 0.80691298485340 0.33961546215526 0.36929726992342 15.999 > 17 46 O 0.80691298485340 0.83961546215526 0.36929726992342 15.999 > 17 47 O 0.80691298485340 0.33961546215526 0.86929726992342 15.999 > 17 48 O 0.80691298485340 0.83961546215526 0.86929726992342 15.999 > 17 49 O 0.19296050952196 0.25000000000000 0.43576854159313 15.999 > 21 50 O 0.19296050952196 0.75000000000000 0.43576854159313 15.999 > 21 51 O 0.19296050952196 0.25000000000000 0.93576854159313 15.999 > 21 52 O 0.19296050952196 0.75000000000000 0.93576854159313 15.999 > 21 53 O 0.80703949047805 0.25000000000000 0.06423145840687 15.999 > 25 54 O 0.80703949047805 0.75000000000000 0.06423145840687 15.999 > 25 55 O 0.80703949047805 0.25000000000000 0.56423145840687 15.999 > 25 56 O 0.80703949047805 0.75000000000000 0.56423145840687 15.999 > 25 57 Si 0.35290475127324 0.00000000000000 0.44957185925609 28.085 > 57 58 Si 0.35290475127324 0.50000000000000 0.44957185925609 28.085 > 57 59 Si 0.35290475127324 0.00000000000000 0.94957185925609 28.085 > 57 60 Si 0.35290475127324 0.50000000000000 0.94957185925609 28.085 > 57 61 Si 0.64709524872676 0.00000000000000 0.05042814074391 28.085 > 61 62 Si 0.64709524872676 0.50000000000000 0.05042814074391 28.085 > 61 63 Si 0.64709524872676 0.00000000000000 0.55042814074391 28.085 > 61 64 Si 0.64709524872676 0.50000000000000 0.55042814074391 28.085 > 61 65 Si 0.85290475127324 0.25000000000000 0.44957185925609 28.085 > 57 66 Si 0.85290475127324 0.75000000000000 0.44957185925609 28.085 > 57 67 Si 0.85290475127324 0.25000000000000 0.94957185925609 28.085 > 57 68 Si 0.85290475127324 0.75000000000000 0.94957185925609 28.085 > 57 69 Si 0.14709524872676 0.25000000000000 0.05042814074391 28.085 > 61 70 Si 0.14709524872676 0.75000000000000 0.05042814074391 28.085 > 61 71 Si 0.14709524872676 0.25000000000000 0.55042814074391 28.085 > 61 72 Si 0.14709524872676 0.75000000000000 0.55042814074391 28.085 > 61 73 Hg 0.61589651668814 0.13125345012316 0.29177215793914 200.590 > 73 74 Hg 0.61589651668814 0.63125345012316 0.29177215793914 200.590 > 73 75 Hg 0.61589651668814 0.13125345012316 0.79177215793914 200.590 > 73 76 Hg 0.61589651668814 0.63125345012316 0.79177215793914 200.590 > 73 77 Hg 0.38410348331186 0.13125345012316 0.20822784206086 200.590 > 77 78 Hg 0.38410348331186 0.63125345012316 0.20822784206086 200.590 > 77 79 Hg 0.38410348331186 0.13125345012316 0.70822784206086 200.590 > 77 80 Hg 0.38410348331186 0.63125345012316 0.70822784206086 200.590 > 77 81 Hg 0.38410348331186 0.36874654987684 0.20822784206086 200.590 > 81 82 Hg 0.38410348331186 0.86874654987684 0.20822784206086 200.590 > 81 83 Hg 0.38410348331186 0.36874654987684 0.70822784206086 200.590 > 81 84 Hg 0.38410348331186 0.86874654987684 0.70822784206086 200.590 > 81 85 Hg 0.61589651668814 0.36874654987684 0.29177215793914 200.590 > 85 86 Hg 0.61589651668814 0.86874654987684 0.29177215793914 200.590 > 85 87 Hg 0.61589651668814 0.36874654987684 0.79177215793914 200.590 > 85 88 Hg 0.61589651668814 0.86874654987684 0.79177215793914 200.590 > 85 89 Hg 0.88529064788121 0.00000000000000 0.47612724414396 200.590 > 89 90 Hg 0.88529064788121 0.50000000000000 0.47612724414396 200.590 > 89 91 Hg 0.88529064788121 0.00000000000000 0.97612724414396 200.590 > 89 92 Hg 0.88529064788121 0.50000000000000 0.97612724414396 200.590 > 89 93 Hg 0.11470935211879 0.00000000000000 0.02387275585604 200.590 > 93 94 Hg 0.11470935211879 0.50000000000000 0.02387275585604 200.590 > 93 95 Hg 0.11470935211879 0.00000000000000 0.52387275585604 200.590 > 93 96 Hg 0.11470935211879 0.50000000000000 0.52387275585604 200.590 > 93 97 Hg 0.11589651668815 0.38125345012316 0.29177215793914 200.590 > 73 98 Hg 0.11589651668815 0.88125345012316 0.29177215793914 200.590 > 73 99 Hg 0.11589651668815 0.38125345012316 0.79177215793914 200.590 > 73 100 Hg 0.11589651668815 0.88125345012316 0.79177215793914 200.590 > 73 101 Hg 0.88410348331186 0.38125345012316 0.20822784206086 200.590 > 77 102 Hg 0.88410348331186 0.88125345012316 0.20822784206086 200.590 > 77 103 Hg 0.88410348331186 0.38125345012316 0.70822784206086 200.590 > 77 104 Hg 0.88410348331186 0.88125345012316 0.70822784206086 200.590 > 77 105 Hg 0.88410348331186 0.11874654987684 0.20822784206086 200.590 > 81 106 Hg 0.88410348331186 0.61874654987684 0.20822784206086 200.590 > 81 107 Hg 0.88410348331186 0.11874654987684 0.70822784206086 200.590 > 81 108 Hg 0.88410348331186 0.61874654987684 0.70822784206086 200.590 > 81 109 Hg 0.11589651668815 0.11874654987684 0.29177215793914 200.590 > 85 110 Hg 0.11589651668815 0.61874654987684 0.29177215793914 200.590 > 85 111 Hg 0.11589651668815 0.11874654987684 0.79177215793914 200.590 > 85 112 Hg 0.11589651668815 0.61874654987684 0.79177215793914 200.590 > 85 113 Hg 0.38529064788121 0.25000000000000 0.47612724414396 200.590 > 89 114 Hg 0.38529064788121 0.75000000000000 0.47612724414396 200.590 > 89 115 Hg 0.38529064788121 0.25000000000000 0.97612724414396 200.590 > 89 116 Hg 0.38529064788121 0.75000000000000 0.97612724414396 200.590 > 89 117 Hg 0.61470935211879 0.25000000000000 0.02387275585604 200.590 > 93 118 Hg 0.61470935211879 0.75000000000000 0.02387275585604 200.590 > 93 119 Hg 0.61470935211879 0.25000000000000 0.52387275585604 200.590 > 93 120 Hg 0.61470935211879 0.75000000000000 0.52387275585604 200.590 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.3565757 0.0000000 0.4943923 0.0000000 5.1374930 0.0000000 0.4943929 0.0000000 5.7477467 -------------------------- Born effective charges -------------------------- 1 O -4.3410550 0.0000000 -1.1199902 0.0000000 -1.3262692 0.0000000 -1.1433296 0.0000000 -1.7490958 2 O -2.6634127 -0.1079236 -0.3084729 0.1140760 -2.2495594 -0.6384313 -0.2380357 -0.5865413 -2.0444517 3 O -2.6634127 0.1079236 -0.3084729 -0.1140760 -2.2495594 0.6384313 -0.2380357 0.5865413 -2.0444517 4 O -2.6634127 -0.1079236 -0.3084729 0.1140760 -2.2495594 -0.6384313 -0.2380357 -0.5865413 -2.0444517 5 O -2.6634127 0.1079236 -0.3084729 -0.1140760 -2.2495594 0.6384313 -0.2380357 0.5865413 -2.0444517 6 O -3.0603917 0.0000000 0.2787734 0.0000000 -1.8764973 0.0000000 -0.0506215 0.0000000 -2.3457755 7 O -3.0603917 0.0000000 0.2787734 0.0000000 -1.8764973 0.0000000 -0.0506215 0.0000000 -2.3457755 8 Si 3.5154252 0.0000000 -0.1388141 0.0000000 3.6693554 0.0000000 0.0202588 0.0000000 3.6658082 9 Si 3.5154252 0.0000000 -0.1388141 0.0000000 3.6693554 0.0000000 0.0202588 0.0000000 3.6658082 10 Hg 2.3831069 -0.1908142 0.2850106 -0.2936499 0.9401689 -0.2415492 0.3017752 -0.2515871 1.3710345 11 Hg 2.3831069 0.1908142 0.2850106 0.2936499 0.9401689 0.2415492 0.3017752 0.2515871 1.3710345 12 Hg 2.3831069 -0.1908142 0.2850106 -0.2936499 0.9401689 -0.2415492 0.3017752 -0.2515871 1.3710345 13 Hg 2.3831069 0.1908142 0.2850106 0.2936499 0.9401689 0.2415492 0.3017752 0.2515871 1.3710345 14 Hg 2.2761055 0.0000000 0.4669602 0.0000000 1.4890575 0.0000000 0.4745486 0.0000000 0.9013496 15 Hg 2.2761055 0.0000000 0.4669602 0.0000000 1.4890575 0.0000000 0.4745486 0.0000000 0.9013496 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (zxz) 0.00000006 (zxz) 0.00000006 (zzx) 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 ... [ 8 8 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.66, Number of G-points: 295, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/165) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.273 ( 0.000 0.000 0.000) 0.000 1.343 ( 0.000 0.000 0.000) 0.000 1.356 ( 0.000 0.000 0.000) 0.000 1.501 ( 0.000 0.000 0.000) 0.000 1.528 ( 0.000 0.000 0.000) 0.000 1.559 ( 0.000 0.000 0.000) 0.000 1.630 ( 0.000 0.000 0.000) 0.000 1.717 ( 0.000 0.000 0.000) 0.000 1.764 ( 0.000 0.000 0.000) 0.000 2.007 ( 0.000 0.000 0.000) 0.000 2.121 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 3.182 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 4.092 ( 0.000 0.000 0.000) 0.000 4.282 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 5.794 ( 0.000 0.000 0.000) 0.000 5.800 ( 0.000 0.000 0.000) 0.000 5.937 ( 0.000 0.000 0.000) 0.000 5.943 ( 0.000 0.000 0.000) 0.000 6.508 ( 0.000 0.000 0.000) 0.000 7.517 ( 0.000 0.000 0.000) 0.000 8.008 ( 0.000 0.000 0.000) 0.000 10.647 ( 0.000 0.000 0.000) 0.000 11.189 ( 0.000 0.000 0.000) 0.000 11.221 ( 0.000 0.000 0.000) 0.000 11.781 ( 0.000 0.000 0.000) 0.000 12.663 ( 0.000 0.000 0.000) 0.000 13.598 ( 0.000 0.000 0.000) 0.000 13.834 ( 0.000 0.000 0.000) 0.000 13.976 ( 0.000 0.000 0.000) 0.000 14.298 ( 0.000 0.000 0.000) 0.000 14.379 ( 0.000 0.000 0.000) 0.000 18.520 ( 0.000 0.000 0.000) 0.000 23.310 ( 0.000 0.000 0.000) 0.000 24.836 ( 0.000 0.000 0.000) 0.000 25.192 ( 0.000 0.000 0.000) 0.000 25.516 ( 0.000 0.000 0.000) 0.000 26.156 ( 0.000 0.000 0.000) 0.000 26.251 ( 0.000 0.000 0.000) 0.000 33.357 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/165) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.206 ( -3.681 -11.372 13.400) 17.957 0.371 ( 11.584 -14.647 -4.965) 19.323 0.796 ( 50.186 -9.218 15.812) 53.419 1.268 ( -8.190 -1.743 -1.775) 8.560 1.369 ( 0.680 -0.720 1.113) 1.490 1.389 ( 0.500 -2.675 0.300) 2.738 1.447 ( -2.436 2.218 -0.476) 3.329 1.540 ( 0.376 1.440 0.408) 1.543 1.583 ( 0.184 -1.012 -0.234) 1.055 1.633 ( -1.195 -1.332 -0.691) 1.918 1.740 ( 5.431 0.576 1.830) 5.760 1.785 ( 3.536 0.661 0.989) 3.730 1.986 ( -1.902 0.942 -2.026) 2.934 2.114 ( 5.798 4.578 0.490) 7.404 2.477 ( -13.651 -2.544 -3.814) 14.400 3.335 ( -5.603 -12.422 -3.656) 14.109 3.858 ( -39.517 -26.114 3.377) 47.487 4.095 ( 0.952 -6.531 -19.089) 20.198 4.449 ( 18.900 -3.848 12.294) 22.873 5.207 ( -7.511 0.186 1.598) 7.681 5.667 ( -15.420 3.101 -8.608) 17.930 5.797 ( -8.607 2.596 -3.168) 9.532 5.898 ( -2.163 1.331 -3.279) 4.147 5.914 ( -7.288 -2.381 -0.836) 7.713 6.585 ( 9.647 -1.070 2.176) 9.947 7.486 ( -10.243 0.198 -6.207) 11.978 8.388 ( 30.056 14.729 10.171) 34.983 10.634 ( -0.407 1.156 -0.549) 1.343 11.106 ( -4.262 5.153 -1.966) 6.971 11.355 ( -6.027 -8.609 -0.728) 10.534 11.776 ( 1.346 1.839 1.010) 2.492 12.689 ( 1.720 -1.570 2.187) 3.194 13.599 ( 0.434 0.330 1.572) 1.664 13.790 ( -4.895 1.457 -1.321) 5.276 14.187 ( 8.964 9.094 11.848) 17.419 14.320 ( 4.364 1.835 -4.350) 6.429 15.043 ( 32.913 20.646 5.251) 39.206 18.498 ( -2.048 0.980 -1.103) 2.524 23.494 ( 21.798 13.779 0.952) 25.805 24.846 ( -1.691 -1.833 2.812) 3.758 25.204 ( 3.664 1.688 1.250) 4.224 26.128 ( -4.166 -1.210 -5.824) 7.262 26.226 ( -1.526 1.332 0.599) 2.112 26.468 ( -42.189 -35.938 -10.315) 56.372 33.617 ( 22.820 17.719 8.803) 30.203 ======================= Grid point 2 (3/165) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( -4.443 -12.045 10.667) 16.692 0.671 ( 8.805 -10.886 -4.552) 14.723 1.200 ( -7.453 -1.671 0.214) 7.641 1.306 ( -2.789 2.989 1.533) 4.366 1.328 ( 10.193 -0.121 0.783) 10.224 1.435 ( 2.255 -1.697 -0.266) 2.835 1.505 ( -1.160 1.154 0.024) 1.636 1.540 ( 8.598 -2.921 2.736) 9.484 1.607 ( -1.320 0.059 -0.128) 1.327 1.656 ( 12.710 -3.659 1.697) 13.334 1.802 ( 1.828 2.348 0.672) 3.051 1.816 ( 5.741 0.329 3.513) 6.739 1.951 ( 4.666 0.996 -0.839) 4.844 2.128 ( 11.857 4.096 1.505) 12.634 2.361 ( -12.259 -4.567 -3.385) 13.513 3.496 ( -9.663 -12.095 2.339) 15.656 3.816 ( -17.063 -8.568 2.305) 19.232 4.231 ( 2.861 -14.198 -15.935) 21.534 4.819 ( 23.002 -3.831 16.021) 28.292 5.109 ( -8.863 0.829 1.839) 9.089 5.355 ( -21.464 3.760 -11.653) 24.711 5.613 ( -7.852 6.016 -3.880) 10.626 5.852 ( -6.069 0.299 1.345) 6.223 5.864 ( -2.125 -1.269 -4.950) 5.534 6.704 ( 7.671 0.680 1.655) 7.877 7.315 ( -8.964 3.146 -7.524) 12.118 8.526 ( 19.044 5.323 7.405) 21.115 10.604 ( -0.695 1.253 -0.165) 1.442 10.940 ( -4.921 7.451 -2.568) 9.291 11.439 ( -4.577 -8.102 1.207) 9.384 11.750 ( 2.354 4.079 0.107) 4.710 12.761 ( 2.860 -2.431 3.289) 4.991 13.617 ( 1.458 -0.299 3.562) 3.860 13.694 ( -5.761 1.798 -1.978) 6.351 14.162 ( 1.668 5.006 3.791) 6.497 14.314 ( 2.277 1.027 -3.602) 4.384 15.079 ( 13.432 7.239 4.151) 15.813 18.444 ( -2.891 1.375 -1.569) 3.565 23.502 ( 8.710 5.039 -0.038) 10.062 24.889 ( -1.980 -4.017 4.566) 6.395 25.210 ( 5.153 3.827 -0.886) 6.479 26.081 ( -2.237 -0.477 -6.136) 6.549 26.192 ( -0.614 1.805 1.000) 2.153 26.578 ( -15.637 -17.121 -2.455) 23.316 33.598 ( 8.419 7.507 3.319) 11.758 ======================= Grid point 3 (4/165) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -2.318 -10.434 6.744) 12.638 0.876 ( 6.188 -5.881 -2.836) 8.996 1.137 ( -7.314 0.580 2.697) 7.817 1.188 ( -4.185 2.961 -3.015) 5.947 1.364 ( 2.284 1.816 -1.534) 3.297 1.482 ( 0.385 -1.922 1.024) 2.211 1.507 ( -0.197 -1.856 -0.608) 1.962 1.521 ( -5.355 0.449 -2.986) 6.147 1.599 ( 0.234 -0.270 0.669) 0.758 1.723 ( -0.353 5.794 0.653) 5.841 1.803 ( 4.612 0.971 -0.235) 4.719 1.850 ( -2.668 -1.193 -0.324) 2.940 2.103 ( 9.700 -0.859 1.999) 9.941 2.252 ( 15.519 2.713 1.284) 15.807 2.444 ( 10.424 -7.415 5.472) 13.913 3.460 ( -15.490 -2.505 2.706) 15.923 3.879 ( -3.477 -7.839 -0.870) 8.619 4.417 ( 0.518 -10.200 -7.991) 12.968 4.906 ( -14.170 2.992 -1.438) 14.554 5.087 ( -3.448 -1.528 -6.901) 7.864 5.242 ( 16.481 -1.209 12.359) 20.635 5.439 ( -4.480 4.990 -1.529) 6.878 5.740 ( -11.801 -0.412 -6.311) 13.389 5.907 ( 4.580 -1.545 2.986) 5.682 6.684 ( -3.363 4.047 -1.901) 5.595 7.200 ( -1.101 0.808 -3.840) 4.076 8.650 ( 10.102 1.893 4.416) 11.186 10.589 ( -0.215 -0.316 0.804) 0.890 10.758 ( -3.982 6.783 -2.756) 8.334 11.529 ( -4.971 -7.825 2.337) 9.561 11.697 ( 3.700 5.674 -1.569) 6.954 12.837 ( 2.096 -1.618 2.203) 3.445 13.610 ( -3.678 1.156 -1.167) 4.029 13.675 ( 2.845 -1.639 4.469) 5.546 14.086 ( -2.387 3.757 -1.671) 4.755 14.310 ( 1.476 0.676 -1.260) 2.055 15.114 ( 5.507 2.515 2.523) 6.559 18.391 ( -2.044 0.967 -1.117) 2.522 23.510 ( 3.428 1.825 -0.193) 3.889 24.973 ( -1.853 -6.039 5.042) 8.083 25.170 ( 3.977 6.053 -2.716) 7.736 26.052 ( -0.406 -0.120 -3.609) 3.634 26.165 ( -0.341 1.040 0.508) 1.207 26.666 ( -6.177 -7.997 -0.510) 10.117 33.579 ( 3.055 3.182 1.238) 4.581 ======================= Grid point 4 (5/165) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 0.000 -0.000 0.000) 0.000 0.944 ( 0.000 -0.000 -0.000) 0.000 1.107 ( 0.000 -0.000 0.000) 0.000 1.112 ( -0.000 -0.000 -0.000) 0.000 1.352 ( -0.000 -0.000 -0.000) 0.000 1.467 ( 0.000 -0.000 0.000) 0.000 1.517 ( -0.000 -0.000 0.000) 0.000 1.525 ( 0.000 -0.000 -0.000) 0.000 1.611 ( 0.000 -0.000 0.000) 0.000 1.652 ( -0.000 -0.000 -0.000) 0.000 1.818 ( -0.000 -0.000 -0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 -0.000 0.000) 0.000 2.322 ( -0.000 -0.000 -0.000) 0.000 2.621 ( -0.000 -0.000 -0.000) 0.000 3.390 ( 0.000 -0.000 -0.000) 0.000 3.924 ( 0.000 -0.000 -0.000) 0.000 4.483 ( -0.000 -0.000 0.000) 0.000 4.768 ( 0.000 -0.000 0.000) 0.000 5.091 ( -0.000 -0.000 0.000) 0.000 5.360 ( 0.000 -0.000 -0.000) 0.000 5.430 ( -0.000 -0.000 -0.000) 0.000 5.619 ( 0.000 -0.000 0.000) 0.000 5.971 ( -0.000 -0.000 -0.000) 0.000 6.597 ( 0.000 -0.000 0.000) 0.000 7.191 ( 0.000 -0.000 0.000) 0.000 8.698 ( -0.000 -0.000 -0.000) 0.000 10.628 ( -0.000 -0.000 0.000) 0.000 10.634 ( 0.000 -0.000 0.000) 0.000 11.590 ( -0.000 -0.000 0.000) 0.000 11.649 ( 0.000 0.000 -0.000) 0.000 12.866 ( 0.000 -0.000 0.000) 0.000 13.577 ( 0.000 -0.000 0.000) 0.000 13.729 ( -0.000 -0.000 -0.000) 0.000 14.022 ( 0.000 -0.000 0.000) 0.000 14.310 ( 0.000 -0.000 -0.000) 0.000 15.128 ( 0.000 -0.000 0.000) 0.000 18.369 ( 0.000 -0.000 0.000) 0.000 23.512 ( 0.000 -0.000 -0.000) 0.000 25.078 ( -0.000 -0.000 0.000) 0.000 25.081 ( 0.000 0.000 -0.000) 0.000 26.044 ( -0.000 -0.000 -0.000) 0.000 26.156 ( -0.000 -0.000 -0.000) 0.000 26.699 ( 0.000 -0.000 0.000) 0.000 33.571 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/165) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( 10.972 0.000 6.203) 12.604 0.335 ( 15.338 0.000 2.171) 15.490 1.132 ( -9.079 -0.000 0.591) 9.098 1.341 ( 32.235 0.000 10.743) 33.978 1.348 ( -1.087 -0.000 -0.047) 1.088 1.376 ( -0.379 -0.000 0.866) 0.945 1.503 ( 16.635 0.000 7.748) 18.351 1.530 ( -1.635 -0.000 -4.005) 4.326 1.555 ( -0.331 -0.000 -1.154) 1.200 1.599 ( -1.719 -0.000 -0.578) 1.814 1.824 ( 4.320 0.000 2.748) 5.120 1.843 ( 6.761 0.000 1.788) 6.994 1.983 ( 1.686 0.000 -1.713) 2.404 2.244 ( -17.992 -0.000 -4.528) 18.553 2.249 ( 10.679 0.000 0.105) 10.680 3.131 ( 5.115 0.000 -7.971) 9.471 3.447 ( 5.587 0.000 3.661) 6.679 3.951 ( -10.661 -0.000 -2.259) 10.898 4.744 ( 29.173 0.000 18.636) 34.618 5.129 ( -8.798 -0.000 2.967) 9.285 5.451 ( -23.899 -0.000 -12.510) 26.975 5.709 ( -5.062 -0.000 -6.843) 8.511 5.800 ( -7.101 -0.000 -5.041) 8.708 5.903 ( -4.409 -0.000 1.242) 4.580 6.710 ( 11.991 0.000 2.008) 12.158 7.345 ( -11.924 -0.000 -8.430) 14.603 8.707 ( 6.543 0.000 2.479) 6.997 10.633 ( -0.833 -0.000 -1.069) 1.355 11.147 ( -3.682 -0.000 -0.654) 3.740 11.209 ( -2.231 -0.000 2.948) 3.697 11.817 ( 2.142 0.000 2.639) 3.398 12.734 ( 5.557 0.000 4.845) 7.372 13.612 ( 0.023 0.000 2.139) 2.139 13.730 ( -6.570 -0.000 -2.330) 6.971 14.303 ( 1.323 0.000 2.734) 3.037 14.311 ( -5.000 -0.000 -2.328) 5.515 15.496 ( -3.245 -0.000 -10.417) 10.911 18.487 ( -2.242 -0.000 -1.368) 2.627 23.917 ( 3.195 0.000 -13.504) 13.877 24.839 ( -1.797 -0.000 6.751) 6.986 25.292 ( 2.441 0.000 10.982) 11.250 25.488 ( -1.460 -0.000 -1.735) 2.268 26.226 ( -1.523 -0.000 -1.679) 2.267 26.269 ( 9.099 0.000 1.578) 9.235 33.923 ( -4.802 -0.000 -1.254) 4.963 ======================= Grid point 11 (7/165) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 9.806 1.522 8.407) 13.006 0.612 ( 12.179 -8.675 -0.780) 14.973 1.073 ( -7.145 -2.441 1.542) 7.706 1.333 ( -2.824 3.126 2.268) 4.785 1.345 ( -3.022 -1.211 -0.833) 3.361 1.420 ( -0.623 -1.382 1.684) 2.266 1.502 ( -0.121 0.449 -3.204) 3.237 1.528 ( -2.063 -0.123 -3.096) 3.722 1.581 ( -2.580 -0.567 -0.115) 2.644 1.811 ( 4.405 0.516 0.923) 4.530 1.835 ( 1.734 1.043 -0.310) 2.047 1.907 ( 4.478 3.023 1.148) 5.523 2.072 ( -3.237 -1.124 -0.278) 3.438 2.202 ( 26.960 -4.797 10.168) 29.211 2.348 ( 10.312 1.809 -1.218) 10.540 3.255 ( 0.688 -9.155 -2.618) 9.547 3.583 ( -0.884 -6.773 2.591) 7.306 3.944 ( -2.022 -11.811 -4.471) 12.790 5.038 ( -8.117 3.546 5.919) 10.653 5.082 ( -3.870 1.840 -6.613) 7.880 5.198 ( 12.144 -2.562 9.465) 15.608 5.584 ( -7.519 3.050 -6.111) 10.158 5.715 ( -7.710 -1.127 -6.481) 10.135 5.860 ( -2.747 -0.828 0.146) 2.873 6.803 ( 4.925 2.360 0.572) 5.491 7.177 ( -12.252 -1.411 -9.114) 15.336 8.737 ( 3.657 2.561 1.954) 4.874 10.611 ( -1.048 0.847 -0.866) 1.602 11.009 ( -4.630 7.451 -0.660) 8.797 11.276 ( -4.174 -6.891 2.984) 8.591 11.835 ( 2.761 2.338 2.537) 4.418 12.835 ( 9.318 0.530 6.485) 11.365 13.623 ( -0.800 -0.927 2.321) 2.625 13.649 ( -4.731 0.811 -2.502) 5.413 14.215 ( -4.939 2.975 -1.111) 5.872 14.321 ( 0.119 -0.192 -1.020) 1.045 15.312 ( -2.281 8.393 -5.051) 10.058 18.440 ( -2.179 1.650 -1.190) 2.981 23.752 ( 5.401 12.477 -3.671) 14.083 24.853 ( -1.051 -0.875 7.086) 7.216 25.334 ( 6.842 3.209 0.170) 7.559 25.709 ( -12.360 -21.369 -2.297) 24.793 26.195 ( -1.403 0.675 -2.009) 2.542 26.410 ( 10.241 -3.449 2.476) 11.086 33.786 ( -2.303 7.384 -0.642) 7.761 ======================= Grid point 12 (8/165) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 11.305 -4.239 7.535) 14.233 0.835 ( 6.415 -6.581 -2.108) 9.429 1.076 ( -0.732 -1.985 2.212) 3.061 1.228 ( -2.913 5.590 2.496) 6.780 1.338 ( -4.125 -1.960 -1.632) 4.850 1.435 ( -2.465 -1.659 0.256) 2.982 1.496 ( -0.536 0.179 -1.382) 1.494 1.501 ( 2.301 -0.149 -0.869) 2.464 1.568 ( -2.854 -1.570 -0.087) 3.258 1.761 ( -4.449 1.261 -2.610) 5.310 1.803 ( -1.575 2.235 -0.390) 2.762 1.904 ( 4.011 2.595 1.342) 4.962 2.075 ( -4.159 -3.927 0.636) 5.755 2.356 ( -3.807 1.335 -3.142) 5.113 2.594 ( 20.392 -0.951 6.209) 21.338 3.365 ( 3.852 -3.396 1.429) 5.331 3.732 ( 2.830 -8.717 3.398) 9.775 4.185 ( 4.934 -14.615 -4.171) 15.979 4.820 ( -7.444 2.889 -2.632) 8.408 5.030 ( -0.014 -0.796 -2.965) 3.070 5.398 ( -2.642 0.868 -7.037) 7.567 5.496 ( 4.459 2.937 8.523) 10.057 5.620 ( -3.217 0.093 0.151) 3.222 5.920 ( 5.685 -3.705 1.578) 6.967 6.701 ( -6.776 5.700 -2.258) 9.138 7.114 ( -5.436 -4.356 -4.631) 8.365 8.715 ( -3.477 0.894 -0.773) 3.673 10.588 ( -0.592 0.282 0.162) 0.676 10.827 ( -4.430 7.694 -1.189) 8.957 11.362 ( -4.595 -7.635 3.470) 9.563 11.819 ( 3.603 4.496 1.216) 5.889 12.940 ( 10.559 3.352 5.999) 12.598 13.590 ( -1.681 0.673 -1.319) 2.240 13.655 ( -1.336 -3.022 1.231) 3.526 14.106 ( -3.685 3.570 -1.836) 5.450 14.310 ( -1.391 -0.041 -1.332) 1.926 15.168 ( -5.210 2.667 -3.206) 6.673 18.393 ( -0.938 1.351 -0.316) 1.675 23.632 ( 3.797 7.445 -0.928) 8.408 24.906 ( -0.521 -3.082 6.352) 7.079 25.316 ( 5.378 6.433 -2.470) 8.741 25.846 ( -11.251 -12.770 -2.421) 17.190 26.165 ( -0.674 0.580 -1.860) 2.062 26.597 ( 9.620 -4.418 2.735) 10.934 33.660 ( -2.006 4.835 -0.693) 5.280 ======================= Grid point 13 (9/165) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 14.228 -2.264 3.374) 14.797 0.935 ( 0.885 -1.697 0.801) 2.075 1.081 ( -0.937 1.106 -3.653) 3.931 1.193 ( 5.105 0.641 7.099) 8.767 1.303 ( -4.134 -0.365 -1.071) 4.286 1.452 ( -2.013 -2.874 1.838) 3.961 1.501 ( -1.585 -2.606 -2.363) 3.858 1.537 ( 1.095 -1.631 0.087) 1.966 1.572 ( 1.885 0.038 -0.196) 1.896 1.669 ( -3.204 3.108 -1.311) 4.652 1.768 ( -2.079 -0.413 -0.899) 2.302 1.912 ( 3.464 2.098 1.799) 4.431 2.086 ( -5.862 -2.652 -0.039) 6.434 2.201 ( -18.355 0.375 -2.905) 18.587 2.652 ( -2.092 4.883 -3.195) 6.199 3.507 ( 16.236 -0.283 0.698) 16.254 3.908 ( 4.095 -5.546 4.143) 8.043 4.430 ( 5.087 -8.122 -0.188) 9.586 4.851 ( 14.256 -0.546 2.843) 14.547 5.065 ( 2.696 -2.771 -2.131) 4.415 5.288 ( -12.116 -1.366 -3.470) 12.677 5.388 ( -5.399 3.819 -5.305) 8.478 5.728 ( 11.014 -1.196 7.305) 13.270 5.989 ( -0.200 2.933 -0.235) 2.949 6.598 ( 0.298 -0.068 2.311) 2.331 7.110 ( -6.726 -4.424 -2.133) 8.329 8.619 ( -11.668 -0.166 -4.554) 12.526 10.606 ( 1.015 -2.265 1.552) 2.928 10.676 ( -2.455 5.186 -0.997) 5.824 11.458 ( -4.000 -7.817 3.355) 9.400 11.775 ( 4.077 6.127 0.070) 7.359 12.982 ( 8.839 6.727 4.268) 11.900 13.584 ( 1.773 -0.330 -0.346) 1.837 13.673 ( -4.625 -2.260 -3.221) 6.073 14.038 ( 0.507 1.310 0.571) 1.517 14.288 ( -2.756 -0.590 -0.727) 2.911 15.072 ( -8.232 -0.863 -3.569) 9.014 18.380 ( 0.997 0.295 0.812) 1.319 23.563 ( 1.698 4.545 -0.069) 4.852 24.987 ( -0.677 -4.370 4.932) 6.624 25.222 ( 3.194 8.392 -3.746) 9.730 25.904 ( -9.014 -8.633 -0.751) 12.503 26.148 ( -0.238 0.143 -1.367) 1.395 26.763 ( 10.102 -1.565 2.541) 10.533 33.574 ( -2.742 2.287 -1.072) 3.728 ======================= Grid point 14 (10/165) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 6.102 10.151 -4.234) 12.578 0.934 ( -1.030 3.896 4.256) 5.861 1.154 ( 7.937 -4.985 1.243) 9.455 1.250 ( 3.609 1.709 0.566) 4.033 1.297 ( -1.778 -3.024 2.867) 4.530 1.449 ( -6.757 -0.897 1.117) 6.907 1.512 ( -0.651 -0.611 -2.539) 2.691 1.564 ( -2.893 -1.524 -2.471) 4.099 1.610 ( -2.027 -4.048 -0.807) 4.599 1.629 ( 6.323 1.949 2.392) 7.036 1.752 ( -2.269 -0.637 -0.882) 2.516 1.888 ( -6.536 3.691 -1.726) 7.703 1.953 ( -15.868 1.238 -1.964) 16.037 2.035 ( -10.472 -1.492 -1.374) 10.667 2.520 ( 2.576 4.937 -0.688) 5.611 3.696 ( 21.296 1.790 -4.048) 21.751 4.024 ( 5.687 0.548 6.386) 8.569 4.502 ( -4.322 1.558 3.290) 5.650 4.935 ( -6.131 1.773 -8.758) 10.837 5.145 ( -1.403 3.155 -1.562) 3.790 5.240 ( 19.165 -3.601 9.454) 21.671 5.384 ( 2.760 -6.118 -0.335) 6.720 5.863 ( -6.716 3.563 -3.099) 8.210 5.905 ( 12.917 -0.947 5.542) 14.087 6.655 ( -0.730 -1.901 2.031) 2.876 7.136 ( -2.609 -6.753 1.484) 7.390 8.441 ( -18.038 -0.543 -7.469) 19.531 10.600 ( -0.604 1.718 -0.570) 1.908 10.705 ( 3.098 -5.855 2.523) 7.089 11.558 ( -2.950 -7.226 2.249) 8.123 11.704 ( 3.726 7.446 -0.151) 8.328 12.941 ( 5.449 8.709 1.932) 10.454 13.612 ( -3.956 -1.214 -6.265) 7.509 13.638 ( 3.015 -1.145 1.395) 3.514 14.057 ( 0.061 -1.255 0.145) 1.265 14.273 ( -2.722 -1.289 0.735) 3.100 14.986 ( -9.277 -1.644 -3.974) 10.225 18.408 ( 2.425 -0.772 1.487) 2.948 23.507 ( -0.484 3.345 0.231) 3.388 25.065 ( -1.596 -4.336 2.995) 5.506 25.094 ( 1.923 8.111 -3.802) 9.162 25.948 ( -6.639 -6.981 1.109) 9.698 26.145 ( -0.066 -0.646 -1.030) 1.218 26.879 ( 11.363 2.427 2.588) 11.904 33.511 ( -4.092 0.631 -1.635) 4.452 ======================= Grid point 15 (11/165) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 3.424 12.636 -5.347) 14.142 0.804 ( -4.748 10.673 6.001) 13.132 1.198 ( -15.098 10.929 -4.595) 19.196 1.270 ( 1.466 -1.527 -0.079) 2.118 1.318 ( 7.137 -3.490 -0.424) 7.956 1.388 ( -4.799 -0.894 0.824) 4.951 1.482 ( -1.042 0.310 -0.817) 1.361 1.551 ( -1.704 -1.710 -1.485) 2.834 1.566 ( -3.171 3.608 -0.439) 4.823 1.672 ( 1.865 0.912 0.986) 2.299 1.715 ( -7.043 -0.628 -3.371) 7.833 1.763 ( -0.928 -0.684 0.133) 1.161 1.861 ( -5.524 -5.806 -0.080) 8.014 2.007 ( -1.025 -0.525 0.596) 1.297 2.558 ( 9.627 1.831 3.358) 10.359 3.782 ( 11.411 9.699 -4.053) 15.514 4.100 ( 13.527 1.945 0.971) 13.700 4.368 ( -7.849 7.078 9.791) 14.407 4.650 ( -17.260 7.478 -10.460) 21.523 5.195 ( 8.110 -0.470 0.743) 8.157 5.525 ( 10.664 -5.689 7.473) 14.210 5.584 ( 10.354 -7.413 0.377) 12.740 5.772 ( -5.150 -2.306 -1.639) 5.875 6.053 ( 12.284 2.330 4.964) 13.452 6.619 ( -6.384 0.554 -1.025) 6.490 7.302 ( 3.966 -9.743 3.657) 11.137 8.213 ( -19.273 -0.209 -7.584) 20.713 10.591 ( 0.125 -0.670 -0.084) 0.687 10.870 ( 3.378 -8.184 2.034) 9.084 11.612 ( 2.684 7.670 0.630) 8.150 11.647 ( -1.633 -5.711 0.310) 5.948 12.840 ( 1.995 8.139 -0.059) 8.380 13.575 ( -2.103 -1.310 -3.004) 3.894 13.719 ( 3.948 -2.362 0.969) 4.701 14.045 ( -4.594 -0.921 -3.482) 5.838 14.276 ( -2.182 -1.371 1.700) 3.087 14.897 ( -7.501 -0.157 -2.985) 8.074 18.459 ( 2.218 -1.348 1.213) 2.865 23.439 ( -2.460 3.120 0.065) 3.974 24.978 ( 1.292 6.216 -2.422) 6.795 25.117 ( -2.062 -3.317 1.088) 4.054 26.008 ( -3.501 -6.019 1.749) 7.180 26.161 ( 0.240 -1.707 -0.700) 1.860 26.951 ( 11.819 4.837 2.921) 13.101 33.446 ( -5.580 0.285 -2.178) 5.996 ======================= Grid point 16 (12/165) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 0.000 13.441 -0.000) 13.441 0.552 ( 0.000 15.541 -0.000) 15.541 0.774 ( 0.000 21.183 -0.000) 21.183 1.319 ( -0.000 -1.827 0.000) 1.827 1.350 ( 0.000 0.398 -0.000) 0.398 1.433 ( -0.000 -3.406 0.000) 3.406 1.443 ( 0.000 3.717 -0.000) 3.717 1.515 ( 0.000 0.419 -0.000) 0.419 1.576 ( -0.000 -1.311 0.000) 1.311 1.646 ( 0.000 0.468 -0.000) 0.468 1.701 ( -0.000 -0.706 0.000) 0.706 1.754 ( -0.000 -0.187 0.000) 0.187 1.972 ( -0.000 -7.672 0.000) 7.672 2.004 ( -0.000 -0.046 0.000) 0.046 2.599 ( 0.000 2.088 -0.000) 2.088 3.608 ( 0.000 15.341 -0.000) 15.341 4.214 ( -0.000 -1.788 0.000) 1.788 4.228 ( 0.000 8.903 -0.000) 8.903 4.389 ( 0.000 4.718 -0.000) 4.718 5.249 ( 0.000 0.082 -0.000) 0.082 5.705 ( -0.000 -5.825 0.000) 5.825 5.757 ( -0.000 -6.392 0.000) 6.392 5.818 ( -0.000 -5.816 0.000) 5.816 6.097 ( 0.000 3.682 -0.000) 3.682 6.552 ( 0.000 1.797 -0.000) 1.797 7.508 ( -0.000 -8.868 0.000) 8.868 8.040 ( 0.000 1.864 -0.000) 1.864 10.613 ( -0.000 -1.582 0.000) 1.582 11.033 ( -0.000 -7.897 0.000) 7.897 11.514 ( 0.000 6.505 -0.000) 6.505 11.717 ( -0.000 -3.903 0.000) 3.903 12.737 ( 0.000 5.120 -0.000) 5.120 13.580 ( -0.000 -1.079 0.000) 1.079 13.786 ( -0.000 -2.466 0.000) 2.466 13.991 ( 0.000 0.815 -0.000) 0.815 14.283 ( -0.000 -0.835 0.000) 0.835 14.823 ( 0.000 2.214 -0.000) 2.214 18.497 ( -0.000 -1.270 0.000) 1.270 23.364 ( 0.000 3.155 -0.000) 3.155 24.898 ( 0.000 3.908 -0.000) 3.908 25.151 ( -0.000 -2.323 0.000) 2.323 26.081 ( -0.000 -4.469 0.000) 4.469 26.197 ( -0.000 -2.412 0.000) 2.412 26.976 ( 0.000 3.647 -0.000) 3.647 33.380 ( 0.000 1.372 -0.000) 1.372 ======================= Grid point 19 (13/165) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 13.762 0.000 4.467) 14.469 0.628 ( 9.611 0.000 -0.325) 9.617 1.026 ( -0.319 -0.000 3.588) 3.602 1.277 ( -4.493 -0.000 -1.620) 4.776 1.364 ( -0.832 -0.000 1.931) 2.103 1.392 ( -3.795 -0.000 3.806) 5.375 1.493 ( 3.847 0.000 -2.830) 4.776 1.509 ( -1.274 -0.000 -3.087) 3.340 1.532 ( -5.624 -0.000 0.543) 5.651 1.767 ( -6.373 -0.000 -3.459) 7.251 1.906 ( 3.718 0.000 0.279) 3.728 1.940 ( -7.839 -0.000 0.175) 7.841 1.970 ( 1.744 0.000 0.836) 1.934 2.381 ( -5.520 -0.000 -3.954) 6.790 2.586 ( 29.516 0.000 9.019) 30.863 3.205 ( 5.627 0.000 -5.664) 7.984 3.585 ( 6.386 0.000 0.989) 6.462 3.876 ( 10.144 0.000 7.088) 12.375 4.891 ( -13.018 -0.000 -5.036) 13.958 5.031 ( -1.029 -0.000 -0.674) 1.231 5.406 ( -2.142 -0.000 -7.989) 8.271 5.578 ( 9.945 0.000 16.625) 19.373 5.604 ( -6.528 -0.000 -7.195) 9.715 5.824 ( 3.437 0.000 -1.512) 3.755 6.869 ( 0.429 0.000 -0.274) 0.509 6.971 ( -13.818 -0.000 -8.407) 16.175 8.736 ( -6.035 -0.000 -1.265) 6.166 10.602 ( -1.012 -0.000 -1.307) 1.653 11.027 ( -6.840 -0.000 -0.757) 6.882 11.177 ( -3.444 -0.000 4.272) 5.488 11.898 ( 2.769 0.000 3.608) 4.548 13.007 ( 15.270 0.000 8.432) 17.444 13.593 ( -3.819 -0.000 0.055) 3.820 13.610 ( -1.753 -0.000 -1.879) 2.570 14.178 ( -4.535 -0.000 -1.542) 4.790 14.306 ( -2.496 -0.000 0.082) 2.497 15.247 ( -12.763 -0.000 -9.865) 16.131 18.427 ( -2.028 -0.000 -0.934) 2.233 23.857 ( -1.403 -0.000 -5.393) 5.573 24.883 ( -0.155 -0.000 8.633) 8.635 25.444 ( 5.221 0.000 3.357) 6.207 25.447 ( -0.761 -0.000 -1.935) 2.079 26.178 ( -1.005 -0.000 -2.029) 2.265 26.515 ( 11.694 0.000 1.800) 11.832 33.777 ( -6.889 -0.000 -2.442) 7.309 ======================= Grid point 20 (14/165) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 13.990 0.534 4.706) 14.770 0.801 ( 8.090 -4.107 0.375) 9.081 1.065 ( 1.690 -1.992 0.195) 2.620 1.236 ( -4.422 -0.268 -0.689) 4.484 1.333 ( 0.208 2.226 3.411) 4.078 1.380 ( -3.238 -1.241 -0.046) 3.468 1.454 ( -6.355 0.486 -2.149) 6.726 1.475 ( -5.762 -1.304 0.229) 5.912 1.579 ( 8.453 -0.620 2.450) 8.823 1.685 ( -5.707 -0.901 -4.388) 7.255 1.844 ( -1.333 3.556 0.690) 3.859 1.970 ( -2.910 -2.292 1.010) 3.839 1.980 ( 2.742 0.256 0.927) 2.905 2.229 ( -16.920 0.698 -3.876) 17.372 2.774 ( 5.678 2.614 -0.224) 6.254 3.318 ( 5.576 -8.866 -4.343) 11.338 3.701 ( 7.243 -4.458 2.544) 8.877 4.143 ( 20.299 -5.189 7.746) 22.338 4.855 ( 9.705 0.492 2.612) 10.063 5.028 ( 1.867 0.289 -2.360) 3.023 5.242 ( -16.057 -1.192 -10.716) 19.341 5.493 ( -5.593 1.989 -5.996) 8.438 5.675 ( 0.178 -1.473 4.704) 4.932 6.006 ( 16.381 -1.055 6.992) 17.842 6.719 ( -6.693 6.249 -1.341) 9.254 6.931 ( -8.197 -6.178 -3.539) 10.858 8.624 ( -12.194 0.265 -3.661) 12.734 10.585 ( -0.534 0.240 -0.819) 1.007 10.888 ( -5.997 6.123 -0.319) 8.577 11.216 ( -3.894 -5.928 3.586) 7.948 11.921 ( 2.798 2.404 2.925) 4.707 13.188 ( 17.331 4.199 7.810) 19.467 13.554 ( -5.295 -2.089 -2.334) 6.152 13.608 ( 1.836 -0.076 0.376) 1.876 14.119 ( -2.184 2.258 -0.023) 3.141 14.271 ( -4.244 -0.425 -0.627) 4.311 15.049 ( -15.159 -0.358 -9.359) 17.819 18.401 ( -0.852 0.644 -0.125) 1.075 23.766 ( -0.351 5.821 -2.499) 6.345 24.915 ( 0.833 0.036 7.362) 7.410 25.453 ( 5.137 3.774 -4.023) 7.538 25.543 ( -5.091 -9.776 2.261) 11.252 26.162 ( -0.095 0.416 -1.438) 1.500 26.664 ( 10.679 -2.664 1.897) 11.169 33.673 ( -5.600 2.523 -2.069) 6.482 ======================= Grid point 21 (15/165) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 12.549 -4.725 4.955) 14.295 0.933 ( 9.426 -1.541 1.133) 9.618 1.086 ( 0.303 1.429 -5.012) 5.221 1.195 ( -3.581 -1.667 3.086) 5.013 1.307 ( -5.311 0.804 -0.714) 5.419 1.378 ( -1.263 -3.815 -0.590) 4.062 1.394 ( -6.866 -2.402 1.038) 7.348 1.460 ( -3.856 -3.117 -0.893) 5.038 1.605 ( -1.465 0.789 -2.325) 2.859 1.707 ( 6.479 0.820 2.663) 7.053 1.780 ( -0.180 3.470 0.142) 3.477 1.956 ( -3.563 0.245 0.511) 3.608 2.002 ( -6.509 0.335 1.434) 6.674 2.017 ( -9.602 1.248 -2.118) 9.912 2.679 ( -5.254 4.477 -4.212) 8.086 3.554 ( 8.217 -11.955 -3.517) 14.927 3.884 ( 7.323 -5.967 4.041) 10.274 4.439 ( 15.133 -2.332 5.277) 16.196 4.964 ( -3.630 0.700 -7.748) 8.585 5.090 ( 0.295 -3.216 -0.263) 3.240 5.117 ( 10.244 -3.159 3.225) 11.194 5.389 ( -2.019 2.816 -2.132) 4.068 5.775 ( 5.748 -6.048 1.288) 8.443 6.068 ( -0.866 6.409 0.412) 6.480 6.630 ( -0.199 1.142 4.089) 4.250 6.928 ( -6.959 -5.598 -2.005) 9.154 8.450 ( -15.399 0.648 -5.473) 16.355 10.588 ( 0.500 -1.252 0.217) 1.366 10.733 ( -3.621 5.746 -0.116) 6.793 11.304 ( -3.224 -7.521 2.726) 8.625 11.904 ( 2.718 4.355 1.633) 5.387 13.272 ( 13.897 9.255 6.491) 17.914 13.534 ( -4.330 -3.002 -5.206) 7.407 13.633 ( 2.816 1.128 1.456) 3.365 14.071 ( -0.321 1.794 1.040) 2.098 14.235 ( -3.670 -0.981 -0.609) 3.847 14.893 ( -14.027 -3.896 -7.042) 16.172 18.396 ( 0.621 -0.062 0.691) 0.931 23.666 ( 0.586 5.587 -0.678) 5.659 24.963 ( 0.937 -1.483 5.005) 5.304 25.378 ( 2.678 7.989 -3.206) 9.015 25.653 ( -6.034 -10.061 -0.040) 11.732 26.149 ( 0.102 0.660 -0.691) 0.961 26.832 ( 8.773 -3.791 1.861) 9.737 33.574 ( -3.817 2.485 -1.472) 4.786 ======================= Grid point 22 (16/165) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 1.290 7.261 -3.071) 7.989 1.005 ( 2.905 0.983 3.148) 4.395 1.164 ( 6.296 -4.541 1.900) 7.992 1.206 ( -1.748 -2.573 -1.096) 3.298 1.299 ( -1.329 -3.836 1.550) 4.346 1.349 ( -6.204 -2.095 0.511) 6.568 1.440 ( -0.388 -3.290 -1.546) 3.656 1.497 ( -0.879 -5.420 -0.195) 5.494 1.579 ( 1.165 2.135 -0.298) 2.450 1.697 ( -4.125 3.059 0.455) 5.156 1.740 ( 0.568 1.528 -1.356) 2.120 1.822 ( -8.679 2.493 -0.281) 9.034 1.860 ( -6.294 5.011 -1.894) 8.265 2.015 ( 1.314 0.674 0.745) 1.654 2.598 ( 1.874 1.078 0.299) 2.182 3.825 ( 11.919 -9.489 -5.608) 16.234 4.041 ( 0.913 -3.093 6.499) 7.255 4.537 ( 4.162 3.180 3.424) 6.258 4.824 ( -10.940 1.397 -9.119) 14.310 5.127 ( -1.280 -5.010 1.052) 5.277 5.373 ( 7.866 -0.636 -1.882) 8.112 5.404 ( 13.812 -3.650 7.114) 15.959 5.874 ( -6.824 8.364 -1.488) 10.896 5.986 ( 9.300 -7.028 2.308) 11.883 6.617 ( -5.092 -0.653 1.190) 5.270 6.989 ( -0.516 -7.093 0.634) 7.140 8.252 ( -12.876 1.826 -5.006) 13.935 10.629 ( -0.457 2.479 -0.498) 2.570 10.650 ( 0.553 -3.551 1.294) 3.819 11.413 ( -1.940 -7.854 1.425) 8.215 11.848 ( 1.893 5.968 0.595) 6.290 13.223 ( 7.896 13.900 4.137) 16.513 13.505 ( -4.145 -2.623 -5.060) 7.047 13.660 ( 2.737 -0.741 0.813) 2.950 14.048 ( -1.467 0.710 -0.062) 1.631 14.230 ( -0.994 -1.305 0.435) 1.697 14.828 ( -7.908 -4.722 -3.439) 9.832 18.419 ( 1.163 -0.997 0.815) 1.735 23.583 ( 0.345 5.095 0.008) 5.107 25.016 ( 0.194 -2.317 2.294) 3.266 25.241 ( 1.001 9.093 -2.076) 9.381 25.755 ( -3.868 -8.972 -0.059) 9.771 26.138 ( -0.096 0.306 -0.267) 0.417 26.973 ( 5.786 -2.782 1.339) 6.558 33.498 ( -2.320 2.300 -0.924) 3.395 ======================= Grid point 23 (17/165) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 0.000 10.196 -0.000) 10.196 0.955 ( 0.000 7.602 -0.000) 7.602 1.225 ( -0.000 -3.113 0.000) 3.113 1.262 ( 0.000 2.047 -0.000) 2.047 1.298 ( -0.000 -3.140 0.000) 3.140 1.390 ( 0.000 2.230 -0.000) 2.230 1.461 ( -0.000 -1.551 0.000) 1.551 1.509 ( 0.000 1.648 -0.000) 1.648 1.587 ( -0.000 -2.369 0.000) 2.369 1.653 ( -0.000 -1.201 0.000) 1.201 1.707 ( 0.000 0.101 -0.000) 0.101 1.742 ( 0.000 1.794 -0.000) 1.794 1.764 ( 0.000 0.609 -0.000) 0.609 2.013 ( 0.000 0.600 -0.000) 0.600 2.625 ( -0.000 -0.405 0.000) 0.405 3.991 ( 0.000 6.625 -0.000) 6.625 4.065 ( -0.000 -8.398 0.000) 8.398 4.542 ( 0.000 3.695 -0.000) 3.695 4.609 ( 0.000 9.649 -0.000) 9.649 5.211 ( -0.000 -3.918 0.000) 3.918 5.467 ( -0.000 -5.252 0.000) 5.252 5.577 ( -0.000 -4.964 0.000) 4.964 5.722 ( 0.000 2.736 -0.000) 2.736 6.141 ( -0.000 -2.576 0.000) 2.576 6.588 ( 0.000 0.127 -0.000) 0.127 7.142 ( -0.000 -11.047 0.000) 11.047 8.121 ( 0.000 2.819 -0.000) 2.819 10.592 ( 0.000 0.960 -0.000) 0.960 10.759 ( -0.000 -7.411 0.000) 7.411 11.530 ( -0.000 -7.181 0.000) 7.181 11.751 ( 0.000 7.105 -0.000) 7.105 13.037 ( 0.000 13.143 -0.000) 13.143 13.520 ( -0.000 -2.696 0.000) 2.696 13.705 ( -0.000 -2.090 0.000) 2.090 14.021 ( 0.000 0.944 -0.000) 0.944 14.247 ( -0.000 -1.227 0.000) 1.227 14.840 ( -0.000 -2.100 0.000) 2.100 18.449 ( -0.000 -1.462 0.000) 1.462 23.502 ( 0.000 4.905 -0.000) 4.905 25.061 ( -0.000 -2.690 0.000) 2.690 25.098 ( 0.000 8.093 -0.000) 8.093 25.873 ( -0.000 -7.925 0.000) 7.925 26.140 ( -0.000 -0.742 0.000) 0.742 27.040 ( -0.000 -0.568 0.000) 0.568 33.443 ( 0.000 2.346 -0.000) 2.346 ======================= Grid point 28 (18/165) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 8.913 0.000 2.400) 9.231 0.926 ( 13.612 0.000 3.848) 14.146 1.036 ( -1.345 -0.000 -1.815) 2.259 1.208 ( -0.759 -0.000 -1.245) 1.459 1.314 ( -11.208 -0.000 -3.894) 11.865 1.327 ( -6.066 -0.000 0.186) 6.069 1.332 ( -9.103 -0.000 -1.722) 9.265 1.401 ( -4.147 -0.000 0.934) 4.250 1.622 ( -1.741 -0.000 -2.202) 2.808 1.710 ( 10.973 0.000 3.670) 11.570 1.886 ( 1.247 0.000 4.811) 4.970 1.917 ( -2.196 -0.000 -0.623) 2.283 2.015 ( -0.343 -0.000 2.312) 2.337 2.050 ( -12.622 -0.000 -2.777) 12.924 2.773 ( -6.949 -0.000 -4.607) 8.338 3.247 ( 2.883 0.000 -5.987) 6.645 3.748 ( 7.839 0.000 2.642) 8.273 4.418 ( 25.205 0.000 12.132) 27.973 4.984 ( -19.698 -0.000 -11.722) 22.922 5.044 ( 7.994 0.000 0.593) 8.016 5.054 ( 15.481 0.000 1.198) 15.527 5.441 ( -2.750 -0.000 -3.471) 4.428 5.643 ( -1.311 -0.000 -0.834) 1.554 6.176 ( 7.751 0.000 5.140) 9.300 6.705 ( -13.321 -0.000 -2.634) 13.579 6.791 ( 2.425 0.000 2.035) 3.166 8.463 ( -14.600 -0.000 -4.500) 15.277 10.579 ( -0.182 -0.000 -0.999) 1.016 10.877 ( -5.921 -0.000 -0.376) 5.933 11.139 ( -2.795 -0.000 3.128) 4.195 11.977 ( 1.921 0.000 2.702) 3.316 13.445 ( 16.016 0.000 3.707) 16.440 13.451 ( -6.703 -0.000 -3.094) 7.383 13.683 ( 10.601 0.000 6.136) 12.249 14.129 ( -0.449 -0.000 0.857) 0.968 14.210 ( -5.966 -0.000 0.910) 6.035 14.801 ( -20.172 -0.000 -12.661) 23.816 18.396 ( -0.598 -0.000 0.023) 0.599 23.785 ( -1.958 -0.000 -2.222) 2.961 24.957 ( 0.848 0.000 6.373) 6.429 25.425 ( -0.118 -0.000 -1.183) 1.189 25.535 ( 2.144 0.000 -0.159) 2.150 26.165 ( 0.696 0.000 -0.754) 1.027 26.745 ( 7.951 0.000 1.153) 8.034 33.625 ( -5.087 -0.000 -1.906) 5.432 ======================= Grid point 29 (19/165) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 6.738 -2.905 2.658) 7.804 1.021 ( 3.609 -1.812 -1.102) 4.186 1.104 ( 7.890 -2.647 1.214) 8.410 1.127 ( -11.139 -1.147 -3.296) 11.673 1.191 ( -2.605 0.917 -1.091) 2.969 1.260 ( -7.859 -2.018 -0.378) 8.123 1.317 ( -3.323 -3.143 0.311) 4.584 1.392 ( -1.229 -1.574 -0.234) 2.010 1.597 ( -1.416 0.147 -1.082) 1.788 1.781 ( 2.738 0.648 -0.095) 2.816 1.848 ( -2.849 3.568 1.147) 4.708 1.907 ( -6.142 2.186 -0.297) 6.526 1.960 ( 2.975 0.518 4.072) 5.070 2.039 ( 1.576 0.592 0.564) 1.775 2.655 ( -5.587 1.948 -3.372) 6.810 3.356 ( 1.714 -12.227 -3.651) 12.875 3.886 ( 7.163 -4.838 2.713) 9.060 4.651 ( 9.786 3.811 6.003) 12.097 4.785 ( -8.467 -2.728 -5.091) 10.249 5.034 ( -1.813 -0.232 -5.070) 5.389 5.294 ( 16.184 -1.682 3.186) 16.580 5.424 ( 2.316 1.278 1.258) 2.929 5.696 ( 2.011 -7.172 -0.870) 7.499 6.162 ( -1.968 6.413 0.378) 6.719 6.569 ( -10.290 -1.927 -1.091) 10.526 6.866 ( 4.522 -1.213 2.700) 5.405 8.301 ( -10.654 0.866 -3.515) 11.253 10.578 ( 0.214 -0.452 -0.387) 0.632 10.783 ( -3.024 4.461 -0.021) 5.389 11.176 ( -1.715 -5.438 1.585) 5.919 11.984 ( 1.178 2.148 1.386) 2.814 13.394 ( -3.745 -1.632 -1.643) 4.403 13.556 ( 7.544 1.466 -0.208) 7.688 13.802 ( 13.386 9.310 6.794) 17.664 14.088 ( -3.680 2.260 0.917) 4.415 14.191 ( -0.471 -1.512 1.528) 2.200 14.599 ( -16.614 -7.557 -9.874) 20.752 18.396 ( 0.017 -0.362 0.234) 0.431 23.735 ( -0.712 3.144 -0.836) 3.331 24.983 ( 0.788 0.156 3.390) 3.484 25.473 ( 0.555 -5.022 -3.029) 5.891 25.506 ( -0.734 4.107 1.582) 4.462 26.164 ( 0.498 0.782 -0.238) 0.957 26.844 ( 4.451 -3.370 0.739) 5.631 33.565 ( -2.629 1.312 -1.002) 3.104 ======================= Grid point 30 (20/165) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -0.000 -1.473 0.000) 1.473 1.086 ( 0.000 2.758 -0.000) 2.758 1.131 ( -0.000 -5.101 0.000) 5.101 1.153 ( -0.000 -1.594 0.000) 1.594 1.200 ( -0.000 -3.601 0.000) 3.601 1.282 ( -0.000 -4.533 0.000) 4.533 1.351 ( -0.000 -4.553 0.000) 4.553 1.418 ( -0.000 -2.718 0.000) 2.718 1.598 ( -0.000 -1.315 0.000) 1.315 1.747 ( 0.000 5.838 -0.000) 5.838 1.789 ( 0.000 1.113 -0.000) 1.113 1.810 ( 0.000 4.276 -0.000) 4.276 1.932 ( 0.000 5.239 -0.000) 5.239 2.038 ( 0.000 0.783 -0.000) 0.783 2.607 ( 0.000 0.060 -0.000) 0.060 3.616 ( -0.000 -17.263 0.000) 17.263 4.022 ( -0.000 -4.397 0.000) 4.397 4.620 ( 0.000 1.308 -0.000) 1.308 4.772 ( 0.000 2.861 -0.000) 2.861 5.035 ( -0.000 -3.813 0.000) 3.813 5.418 ( -0.000 -0.592 0.000) 0.592 5.444 ( -0.000 -1.756 0.000) 1.756 5.879 ( -0.000 -11.300 0.000) 11.300 5.993 ( 0.000 10.444 -0.000) 10.444 6.551 ( -0.000 -2.440 0.000) 2.440 6.923 ( -0.000 -2.375 0.000) 2.375 8.206 ( 0.000 2.064 -0.000) 2.064 10.600 ( -0.000 -2.205 0.000) 2.205 10.690 ( 0.000 4.611 -0.000) 4.611 11.278 ( -0.000 -7.388 0.000) 7.388 11.942 ( 0.000 4.115 -0.000) 4.115 13.414 ( -0.000 -3.228 0.000) 3.228 13.526 ( 0.000 11.149 -0.000) 11.149 13.698 ( 0.000 6.059 -0.000) 6.059 14.048 ( 0.000 0.559 -0.000) 0.559 14.214 ( -0.000 -0.662 0.000) 0.662 14.650 ( -0.000 -9.551 0.000) 9.551 18.409 ( -0.000 -0.934 0.000) 0.934 23.666 ( 0.000 4.575 -0.000) 4.575 24.999 ( -0.000 -0.817 0.000) 0.817 25.389 ( 0.000 8.426 -0.000) 8.426 25.589 ( -0.000 -8.443 0.000) 8.443 26.149 ( 0.000 1.030 -0.000) 1.030 26.940 ( -0.000 -4.604 0.000) 4.604 33.521 ( 0.000 2.077 -0.000) 2.077 ======================= Grid point 39 (21/165) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 0.000 0.000 -0.000) 0.000 1.005 ( -0.000 -0.000 0.000) 0.000 1.006 ( 0.000 0.000 0.000) 0.000 1.162 ( 0.000 0.000 -0.000) 0.000 1.172 ( -0.000 -0.000 -0.000) 0.000 1.219 ( 0.000 0.000 -0.000) 0.000 1.256 ( 0.000 0.000 0.000) 0.000 1.372 ( 0.000 0.000 -0.000) 0.000 1.579 ( 0.000 0.000 0.000) 0.000 1.797 ( 0.000 0.000 -0.000) 0.000 1.856 ( 0.000 0.000 -0.000) 0.000 1.899 ( 0.000 0.000 0.000) 0.000 2.011 ( 0.000 0.000 0.000) 0.000 2.054 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.893 ( 0.000 0.000 -0.000) 0.000 4.641 ( 0.000 0.000 0.000) 0.000 4.832 ( -0.000 -0.000 -0.000) 0.000 4.992 ( 0.000 0.000 0.000) 0.000 5.377 ( -0.000 -0.000 -0.000) 0.000 5.463 ( 0.000 0.000 0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 6.218 ( 0.000 0.000 -0.000) 0.000 6.470 ( 0.000 0.000 0.000) 0.000 6.898 ( 0.000 0.000 0.000) 0.000 8.242 ( 0.000 0.000 0.000) 0.000 10.575 ( -0.000 -0.000 0.000) 0.000 10.807 ( 0.000 0.000 0.000) 0.000 11.121 ( 0.000 0.000 -0.000) 0.000 12.011 ( 0.000 0.000 -0.000) 0.000 13.352 ( 0.000 0.000 0.000) 0.000 13.598 ( 0.000 0.000 0.000) 0.000 14.056 ( 0.000 0.000 0.000) 0.000 14.133 ( 0.000 0.000 0.000) 0.000 14.204 ( -0.000 -0.000 -0.000) 0.000 14.281 ( 0.000 0.000 0.000) 0.000 18.392 ( 0.000 0.000 -0.000) 0.000 23.753 ( 0.000 0.000 -0.000) 0.000 24.997 ( 0.000 0.000 0.000) 0.000 25.420 ( 0.000 0.000 0.000) 0.000 25.552 ( 0.000 0.000 -0.000) 0.000 26.174 ( 0.000 0.000 0.000) 0.000 26.838 ( 0.000 0.000 0.000) 0.000 33.559 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 69 (22/165) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.257 ( -2.394 -0.000 12.777) 13.000 0.333 ( 2.088 0.000 16.723) 16.853 0.573 ( 28.781 0.000 27.377) 39.722 1.251 ( -1.258 -0.000 -2.118) 2.463 1.300 ( 4.201 0.000 -3.651) 5.566 1.345 ( 0.519 0.000 -1.090) 1.207 1.463 ( -0.048 -0.000 -2.636) 2.636 1.576 ( -4.081 -0.000 0.976) 4.196 1.584 ( 1.944 0.000 2.896) 3.488 1.631 ( -0.750 -0.000 0.334) 0.821 1.748 ( 0.889 0.000 0.705) 1.135 1.795 ( 2.112 0.000 2.353) 3.162 2.002 ( -4.361 -0.000 -0.458) 4.385 2.116 ( 1.839 0.000 -0.499) 1.906 2.516 ( -7.583 -0.000 -2.513) 7.989 2.971 ( -4.846 -0.000 -11.261) 12.259 3.425 ( 2.176 0.000 5.283) 5.714 4.408 ( 18.053 0.000 12.147) 21.760 4.863 ( -45.942 -0.000 -2.758) 46.024 5.263 ( 6.762 0.000 1.553) 6.938 5.696 ( -1.844 -0.000 -7.135) 7.370 5.704 ( -14.922 -0.000 -9.146) 17.502 5.874 ( -6.086 -0.000 -5.888) 8.468 6.014 ( -2.279 -0.000 4.516) 5.058 6.615 ( -3.718 -0.000 2.660) 4.571 7.443 ( -5.918 -0.000 -7.178) 9.303 8.166 ( 35.038 0.000 4.858) 35.373 10.727 ( -5.753 -0.000 -1.999) 6.090 11.196 ( -1.222 -0.000 0.618) 1.369 11.200 ( 3.299 0.000 -1.587) 3.661 11.867 ( -0.453 -0.000 7.904) 7.917 12.688 ( 1.509 0.000 2.471) 2.895 13.595 ( 2.615 0.000 -0.180) 2.621 13.817 ( -1.668 -0.000 -1.625) 2.329 14.144 ( 27.705 0.000 -0.315) 27.707 14.367 ( -1.982 -0.000 -1.303) 2.372 14.660 ( 14.086 0.000 -0.801) 14.109 18.513 ( -2.075 -0.000 -0.737) 2.202 23.345 ( 7.479 0.000 2.140) 7.779 24.833 ( 1.546 0.000 -0.276) 1.571 25.490 ( -0.543 -0.000 -2.114) 2.183 26.180 ( 0.459 0.000 1.942) 1.996 26.200 ( -0.130 -0.000 -3.703) 3.705 26.397 ( -33.875 -0.000 3.700) 34.076 33.464 ( 25.656 0.000 0.172) 25.656 ======================= Grid point 70 (23/165) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( 10.471 -4.995 6.108) 13.111 0.497 ( -1.943 -9.017 14.542) 17.221 1.126 ( 36.510 -2.920 14.068) 39.236 1.210 ( -5.587 -1.336 -3.520) 6.737 1.348 ( 3.564 -1.223 -2.526) 4.536 1.389 ( 2.273 -3.646 -0.063) 4.297 1.451 ( 2.371 1.880 0.717) 3.110 1.522 ( -2.618 0.533 -1.105) 2.891 1.608 ( -2.030 -1.444 1.460) 2.887 1.623 ( -1.897 -0.434 0.391) 1.985 1.784 ( 5.859 0.252 2.013) 6.200 1.847 ( 6.733 0.965 5.584) 8.801 1.939 ( -4.217 1.227 -2.701) 5.156 2.121 ( 6.097 3.874 0.271) 7.229 2.382 ( -15.312 -3.004 -5.283) 16.475 3.175 ( 2.268 -22.289 -10.071) 24.564 3.596 ( 1.935 -14.515 -4.421) 15.296 4.326 ( -33.006 6.170 11.386) 35.456 4.763 ( 24.975 -3.516 17.192) 30.523 5.232 ( -7.339 2.744 -0.130) 7.836 5.444 ( -18.626 2.869 -12.438) 22.581 5.659 ( -4.759 -0.637 -6.670) 8.219 5.774 ( -7.851 -0.990 -7.832) 11.134 5.981 ( -4.624 1.526 3.196) 5.825 6.661 ( 7.044 -0.785 3.939) 8.108 7.310 ( -10.645 1.250 -10.799) 15.215 8.463 ( 25.249 4.758 1.923) 25.765 10.655 ( -3.688 0.992 0.588) 3.864 11.060 ( -1.304 8.056 -1.283) 8.262 11.330 ( -0.098 -7.151 -1.465) 7.301 11.868 ( -0.195 3.507 7.731) 8.491 12.744 ( 4.387 -1.188 3.314) 5.625 13.623 ( 2.397 -0.153 0.783) 2.527 13.754 ( -6.053 0.979 -2.063) 6.469 14.221 ( 4.638 4.783 -3.765) 7.653 14.338 ( -2.784 -0.099 2.501) 3.743 14.928 ( 27.848 3.257 -9.376) 29.564 18.473 ( -2.898 0.905 -1.328) 3.313 23.452 ( 12.561 3.299 -1.379) 13.060 24.862 ( 2.532 -1.535 -0.140) 2.964 25.345 ( -1.713 8.996 5.005) 10.436 26.078 ( -6.459 0.217 2.214) 6.832 26.209 ( -4.027 -0.927 -1.501) 4.396 26.400 ( -16.340 -19.930 0.254) 25.773 33.617 ( 15.587 7.125 -3.776) 17.550 ======================= Grid point 71 (24/165) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 7.285 -4.571 4.734) 9.817 0.696 ( -1.658 -11.342 8.823) 14.465 1.161 ( -5.215 -1.276 -3.662) 6.499 1.312 ( 0.518 2.896 -0.639) 3.011 1.344 ( -0.908 2.323 0.934) 2.663 1.403 ( 3.334 -0.981 -2.463) 4.259 1.490 ( -2.450 -2.253 -1.609) 3.696 1.559 ( -4.365 0.177 0.007) 4.369 1.615 ( 0.885 -0.239 1.605) 1.849 1.713 ( 14.003 -1.337 2.582) 14.302 1.817 ( -0.921 3.227 0.267) 3.366 1.863 ( -1.281 -0.290 -0.277) 1.342 1.982 ( 16.325 0.729 3.786) 16.775 2.168 ( 12.747 3.389 1.477) 13.273 2.339 ( -2.114 -7.453 2.509) 8.143 3.525 ( -6.336 -20.354 -2.115) 21.422 3.769 ( -6.584 -8.845 -5.386) 12.272 4.095 ( -5.359 -3.776 2.883) 7.162 5.012 ( -10.399 1.930 -7.146) 12.764 5.126 ( -0.623 2.865 6.042) 6.716 5.208 ( 4.663 0.607 0.318) 4.713 5.533 ( -5.763 3.510 -2.958) 7.367 5.740 ( -6.146 -4.686 -3.804) 8.614 5.920 ( -2.583 0.948 1.876) 3.330 6.737 ( 2.840 2.258 0.905) 3.739 7.144 ( -6.023 0.352 -8.531) 10.449 8.611 ( 14.055 2.932 1.709) 14.459 10.619 ( -1.955 0.223 0.927) 2.175 10.889 ( -2.877 8.900 -1.796) 9.524 11.440 ( -0.348 -7.374 -1.132) 7.469 11.810 ( 0.241 6.799 5.940) 9.032 12.825 ( 5.160 -0.350 3.059) 6.009 13.644 ( -1.776 0.522 -1.090) 2.148 13.681 ( -2.356 -0.866 0.354) 2.535 14.141 ( -1.837 4.090 -3.126) 5.465 14.334 ( -0.728 0.013 3.176) 3.258 15.048 ( 12.559 2.763 -6.344) 14.339 18.420 ( -2.473 1.237 -0.824) 2.885 23.495 ( 6.860 2.872 -0.148) 7.438 24.933 ( 2.758 -3.411 0.134) 4.388 25.231 ( 0.208 6.703 1.454) 6.862 26.056 ( -0.598 -0.186 3.724) 3.777 26.171 ( -5.465 -1.616 -2.348) 6.164 26.546 ( -6.526 -12.109 -1.331) 13.820 33.607 ( 6.009 5.280 -1.701) 8.178 ======================= Grid point 72 (25/165) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 2.247 -4.180 5.678) 7.400 0.868 ( -0.709 -6.362 2.227) 6.778 1.092 ( -3.975 1.131 -5.134) 6.591 1.220 ( -1.495 3.725 4.881) 6.320 1.341 ( 2.054 1.049 -1.246) 2.621 1.429 ( 1.066 -0.683 -3.768) 3.975 1.501 ( -2.205 -2.288 -0.297) 3.192 1.522 ( -1.590 -1.111 1.427) 2.408 1.621 ( -1.285 0.053 1.573) 2.032 1.720 ( -2.110 3.535 -1.225) 4.296 1.810 ( 1.264 -0.709 1.254) 1.916 1.844 ( 0.486 1.196 -0.443) 1.365 2.128 ( 4.860 -0.400 0.582) 4.911 2.248 ( 13.119 1.482 -0.844) 13.229 2.556 ( 8.721 -4.758 4.057) 10.731 3.501 ( -17.352 -1.062 0.077) 17.385 3.885 ( 0.907 -6.433 1.920) 6.774 4.289 ( 6.289 -13.172 -4.395) 15.244 4.806 ( -10.130 0.982 -5.804) 11.716 5.022 ( -2.534 0.666 -1.338) 2.942 5.311 ( 3.031 0.608 -2.224) 3.808 5.468 ( -1.710 1.836 -1.351) 2.850 5.717 ( -2.686 0.518 6.358) 6.922 5.960 ( 3.731 -2.162 2.072) 4.784 6.636 ( -3.889 4.678 -2.720) 6.664 7.142 ( 1.903 -2.864 -1.647) 3.813 8.672 ( 3.660 1.193 -1.952) 4.316 10.619 ( -0.490 -1.430 1.664) 2.248 10.716 ( -2.282 7.242 -1.058) 7.666 11.554 ( -0.823 -7.451 -0.855) 7.544 11.709 ( 1.521 8.594 3.858) 9.542 12.874 ( 4.071 1.768 1.572) 4.709 13.594 ( -2.842 0.242 -0.172) 2.857 13.695 ( -1.068 -0.942 -3.324) 3.616 14.055 ( -1.657 2.148 0.206) 2.720 14.343 ( -0.888 -0.518 3.483) 3.632 15.074 ( 3.667 1.084 -6.354) 7.416 18.384 ( -0.787 0.755 0.403) 1.162 23.512 ( 2.978 1.291 0.534) 3.289 25.026 ( 2.409 -4.032 0.053) 4.697 25.120 ( 0.153 6.622 -1.870) 6.883 26.092 ( 1.630 -0.609 6.819) 7.037 26.133 ( -5.284 -2.166 -3.249) 6.571 26.643 ( -0.756 -5.068 -1.829) 5.441 33.575 ( 1.602 2.511 -1.434) 3.306 ======================= Grid point 73 (26/165) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -6.542 6.824 -0.025) 9.453 0.923 ( 4.698 -2.307 -1.783) 5.529 1.081 ( -0.095 -1.511 1.214) 1.940 1.192 ( 2.658 3.442 3.230) 5.418 1.358 ( 0.908 -1.961 1.083) 2.417 1.453 ( 4.183 0.283 -1.484) 4.447 1.511 ( 1.272 -0.103 1.496) 1.967 1.560 ( -1.105 -2.541 1.023) 2.954 1.590 ( -2.227 0.876 -1.241) 2.696 1.668 ( -2.098 -0.694 1.177) 2.504 1.808 ( -3.270 -1.524 -0.893) 3.717 1.858 ( 4.791 1.774 1.701) 5.385 2.140 ( -0.084 0.928 -0.918) 1.308 2.316 ( -5.380 -2.386 -0.826) 5.943 2.567 ( -7.308 3.780 -4.534) 9.394 3.391 ( -0.666 1.433 -0.172) 1.589 3.946 ( 3.831 2.365 2.087) 4.962 4.504 ( 4.980 -5.176 1.043) 7.259 4.786 ( 7.320 -0.629 2.017) 7.619 5.056 ( 1.572 -4.983 -4.297) 6.765 5.246 ( -4.900 5.997 -8.028) 11.154 5.387 ( -5.727 -3.115 -0.846) 6.574 5.768 ( 6.677 0.391 8.164) 10.555 5.965 ( -3.674 2.717 0.892) 4.656 6.616 ( 5.721 -1.598 1.985) 6.263 7.201 ( -0.194 -2.965 0.696) 3.052 8.633 ( -6.246 -0.266 -6.150) 8.770 10.613 ( -0.313 3.212 0.357) 3.247 10.677 ( 1.684 -4.085 2.190) 4.931 11.593 ( 4.729 9.093 -0.579) 10.266 11.661 ( -2.855 -6.366 1.958) 7.246 12.863 ( 2.056 3.870 -0.308) 4.393 13.579 ( -0.833 -0.456 -1.368) 1.665 13.649 ( -2.432 0.527 -4.249) 4.924 14.052 ( 0.987 -0.736 1.338) 1.819 14.364 ( -1.835 -1.748 5.013) 5.617 15.046 ( -2.034 -0.421 -7.905) 8.173 18.386 ( 1.301 -0.151 1.643) 2.101 23.521 ( 0.030 -0.009 0.810) 0.810 24.980 ( 2.078 7.945 -4.956) 9.591 25.135 ( -0.895 -5.841 1.247) 6.039 26.107 ( -5.573 -3.517 -3.638) 7.528 26.154 ( 2.090 -0.225 8.712) 8.962 26.681 ( 4.450 1.851 -1.602) 5.079 33.549 ( -1.126 0.060 -2.002) 2.298 ======================= Grid point 74 (27/165) ======================= q-point: (-0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( -3.268 12.063 -4.404) 13.252 0.958 ( -1.739 3.695 3.733) 5.533 1.112 ( 7.894 1.858 1.183) 8.196 1.204 ( 3.518 -1.112 -1.470) 3.971 1.413 ( -0.839 -1.456 2.825) 3.287 1.433 ( 0.013 2.149 -2.435) 3.248 1.518 ( -1.655 1.617 -0.004) 2.314 1.583 ( 0.296 -0.998 -0.288) 1.080 1.587 ( 1.441 -0.292 1.942) 2.436 1.705 ( -2.894 -5.347 -1.193) 6.196 1.795 ( -3.140 -1.326 -1.668) 3.795 1.871 ( -0.563 2.602 2.317) 3.529 2.050 ( -15.685 1.043 -2.932) 15.991 2.189 ( -13.595 -0.896 -3.230) 14.002 2.408 ( 0.212 4.703 1.357) 4.900 3.431 ( 11.372 1.843 -0.048) 11.520 3.903 ( 7.321 11.792 1.176) 13.930 4.566 ( 2.438 3.816 5.341) 7.003 4.850 ( -9.493 1.771 -8.601) 12.932 4.974 ( 3.928 3.307 -7.410) 9.015 5.270 ( 14.347 -3.473 8.570) 17.069 5.451 ( 2.960 -6.022 -2.993) 7.348 5.837 ( 1.314 1.870 3.166) 3.904 5.923 ( 2.114 -1.026 5.430) 5.916 6.723 ( 1.342 -2.389 2.594) 3.773 7.265 ( 1.952 -4.344 1.981) 5.158 8.509 ( -14.525 -2.144 -8.926) 17.183 10.599 ( 0.824 -0.242 1.768) 1.965 10.803 ( 3.678 -6.403 1.329) 7.503 11.491 ( 5.869 9.285 -1.555) 11.094 11.735 ( -2.979 -5.174 1.949) 6.281 12.794 ( 0.432 5.065 -1.667) 5.349 13.551 ( -1.154 -0.334 -5.591) 5.718 13.659 ( 2.693 -1.243 2.301) 3.754 14.073 ( -0.908 -1.514 -2.227) 2.841 14.400 ( -2.735 -2.312 6.421) 7.352 14.986 ( -6.608 -2.357 -9.590) 11.882 18.425 ( 2.614 -0.917 2.200) 3.538 23.517 ( -3.267 -1.138 0.525) 3.499 24.862 ( 2.836 6.507 -5.186) 8.791 25.216 ( -2.783 -5.358 1.657) 6.261 26.101 ( -4.160 -4.078 -4.808) 7.553 26.208 ( 0.020 -0.326 9.532) 9.538 26.671 ( 10.891 8.545 0.156) 13.844 33.529 ( -4.073 -2.021 -3.417) 5.688 ======================= Grid point 75 (28/165) ======================= q-point: (-0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.234 ( 0.641 13.426 -5.213) 14.417 0.802 ( -8.092 10.773 6.376) 14.906 1.149 ( -2.202 3.298 -3.239) 5.120 1.266 ( -12.180 4.694 -2.610) 13.311 1.291 ( 0.421 -1.401 -1.768) 2.295 1.409 ( 0.358 0.910 -2.354) 2.549 1.463 ( -6.275 3.830 -3.055) 7.961 1.527 ( -0.980 -1.047 1.466) 2.051 1.607 ( -1.966 -1.032 0.350) 2.248 1.664 ( -0.671 1.730 0.771) 2.010 1.765 ( -5.385 -1.109 -1.275) 5.644 1.822 ( -2.934 -0.520 2.185) 3.695 1.972 ( -1.476 -2.668 0.956) 3.195 2.118 ( -10.176 -4.440 0.389) 11.110 2.439 ( 14.116 3.939 4.065) 15.209 3.501 ( 9.460 6.128 2.943) 11.649 3.713 ( 6.611 17.518 -8.040) 20.377 4.480 ( -11.186 3.225 -4.183) 12.371 4.614 ( 1.438 7.341 7.054) 10.282 5.067 ( 11.384 -0.843 -1.780) 11.553 5.544 ( 14.955 -4.755 2.882) 15.955 5.591 ( 7.487 -5.601 -2.421) 9.659 5.860 ( 1.441 -2.219 3.133) 4.100 5.996 ( 5.160 1.405 6.537) 8.446 6.706 ( -8.465 -0.087 2.384) 8.795 7.402 ( 6.246 -4.886 0.665) 7.958 8.330 ( -21.170 -3.807 -10.815) 24.076 10.638 ( 0.798 -1.957 2.821) 3.525 10.957 ( 4.097 -6.553 -1.092) 7.805 11.401 ( 6.387 8.415 -2.453) 10.845 11.786 ( -2.731 -3.558 3.170) 5.492 12.714 ( 0.954 4.333 -0.783) 4.505 13.544 ( 1.131 -0.910 -3.303) 3.608 13.732 ( 4.156 -1.687 1.557) 4.748 14.060 ( -5.098 -2.380 -4.208) 7.026 14.420 ( -3.645 -0.943 5.546) 6.703 14.905 ( -12.096 -4.749 -11.504) 17.355 18.479 ( 2.387 -1.110 1.795) 3.186 23.486 ( -7.856 -2.119 -1.167) 8.220 24.796 ( 4.275 3.616 -3.645) 6.681 25.269 ( -4.294 -4.788 3.612) 7.377 26.112 ( -2.847 -4.197 -5.310) 7.343 26.239 ( -1.332 -0.031 6.961) 7.088 26.648 ( 19.750 14.248 3.812) 24.650 33.490 ( -8.535 -3.219 -5.944) 10.887 ======================= Grid point 76 (29/165) ======================= q-point: (-0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.105 ( 3.522 -1.712 12.241) 12.852 0.486 ( -21.091 10.405 3.647) 23.799 0.701 ( -23.610 15.295 10.062) 29.877 1.242 ( 8.622 2.437 -3.532) 9.631 1.317 ( -0.670 0.308 -3.536) 3.612 1.372 ( 0.232 3.054 -1.126) 3.263 1.451 ( 3.994 -1.238 -0.758) 4.250 1.535 ( -1.200 -1.859 0.821) 2.360 1.609 ( -1.741 0.112 1.950) 2.616 1.644 ( 0.171 1.312 0.259) 1.348 1.734 ( -2.451 -1.366 0.577) 2.864 1.794 ( -3.338 0.016 1.656) 3.726 2.021 ( 0.312 -1.060 1.481) 1.847 2.100 ( -6.355 -4.411 -0.945) 7.793 2.529 ( 8.413 2.831 1.631) 9.025 3.347 ( -3.828 17.557 -13.295) 22.353 3.487 ( 8.180 12.683 -2.155) 15.246 4.318 ( -0.860 3.295 0.346) 3.423 4.779 ( 12.651 -9.997 17.942) 24.123 5.179 ( 8.030 -0.517 -2.022) 8.297 5.699 ( 5.026 -4.082 -8.231) 10.473 5.749 ( 3.972 -2.732 -0.504) 4.848 5.927 ( 2.893 -0.419 0.907) 3.061 6.029 ( 2.552 2.865 5.069) 6.358 6.632 ( -6.624 -0.967 4.829) 8.254 7.506 ( 3.519 -0.673 -4.710) 5.918 8.098 ( -21.145 -1.437 -8.487) 22.829 10.701 ( 0.471 -3.542 2.936) 4.624 11.079 ( 2.303 -5.217 -3.236) 6.557 11.322 ( 5.459 8.154 -3.157) 10.308 11.827 ( -1.531 -2.175 5.689) 6.281 12.678 ( 2.239 2.178 1.482) 3.457 13.568 ( 2.383 -0.549 -1.473) 2.855 13.798 ( 2.815 -1.142 -0.422) 3.067 14.009 ( -6.184 -0.878 -1.229) 6.366 14.399 ( -3.172 0.870 2.838) 4.344 14.770 ( -17.197 -2.844 -12.232) 21.295 18.517 ( 0.510 -0.696 0.609) 1.056 23.398 ( -11.783 -0.811 -2.890) 12.159 24.804 ( 3.989 0.105 -0.980) 4.109 25.349 ( -3.329 -8.979 6.769) 11.727 26.133 ( -1.717 -3.569 -3.743) 5.450 26.236 ( -0.382 1.335 1.722) 2.213 26.649 ( 23.041 17.014 2.091) 28.719 33.394 ( -9.997 -0.694 -4.985) 11.193 ======================= Grid point 78 (30/165) ======================= q-point: ( 0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 8.458 0.000 6.227) 10.503 0.514 ( 3.659 0.000 13.792) 14.270 1.122 ( -5.816 -0.000 -1.720) 6.065 1.331 ( -1.090 -0.000 -1.422) 1.792 1.364 ( 1.725 0.000 -2.536) 3.067 1.420 ( 7.735 0.000 -0.392) 7.745 1.455 ( -5.022 -0.000 -2.828) 5.764 1.551 ( -5.784 -0.000 1.759) 6.046 1.602 ( -1.776 -0.000 0.972) 2.024 1.680 ( 25.907 0.000 5.597) 26.504 1.861 ( 0.622 0.000 -0.223) 0.661 1.889 ( 2.517 0.000 0.662) 2.602 2.022 ( 20.235 0.000 9.114) 22.193 2.163 ( -13.904 -0.000 -3.335) 14.298 2.249 ( 10.111 0.000 0.026) 10.111 2.989 ( 6.370 0.000 -6.043) 8.781 3.494 ( 3.770 0.000 1.216) 3.961 4.110 ( -22.967 -0.000 11.430) 25.653 5.074 ( -18.042 -0.000 -10.626) 20.938 5.116 ( 28.711 0.000 16.885) 33.308 5.312 ( -12.911 -0.000 1.404) 12.987 5.547 ( -4.141 -0.000 -6.633) 7.819 5.651 ( -7.863 -0.000 -9.516) 12.344 5.945 ( -6.991 -0.000 1.356) 7.122 6.761 ( 9.330 0.000 2.611) 9.688 7.145 ( -12.911 -0.000 -10.840) 16.858 8.689 ( 10.877 0.000 -1.806) 11.026 10.626 ( -2.718 -0.000 -0.515) 2.767 11.136 ( -4.195 -0.000 -0.220) 4.201 11.243 ( 0.927 0.000 0.543) 1.074 11.933 ( 0.129 0.000 8.474) 8.475 12.828 ( 9.139 0.000 4.637) 10.248 13.637 ( 0.124 0.000 0.415) 0.433 13.680 ( -6.850 -0.000 -2.499) 7.291 14.263 ( -5.317 -0.000 -2.524) 5.886 14.295 ( 1.844 0.000 -2.734) 3.297 15.147 ( 12.898 0.000 -16.612) 21.031 18.451 ( -2.024 -0.000 -1.808) 2.714 23.629 ( 13.138 0.000 -8.699) 15.757 24.878 ( 3.099 0.000 0.369) 3.121 25.451 ( -1.328 -0.000 -1.345) 1.890 25.789 ( -22.530 -0.000 23.005) 32.200 26.177 ( -0.977 -0.000 -2.814) 2.979 26.302 ( 8.971 0.000 1.160) 9.046 33.765 ( 4.736 0.000 -9.243) 10.386 ======================= Grid point 79 (31/165) ======================= q-point: ( 0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 3.564 -4.610 8.680) 10.454 0.637 ( 8.540 -2.921 5.827) 10.743 1.077 ( -3.705 -1.146 -1.892) 4.315 1.315 ( -4.067 -2.155 -2.145) 5.078 1.368 ( -0.062 0.509 -1.006) 1.129 1.393 ( 0.509 2.479 -0.219) 2.540 1.464 ( 2.052 0.013 -1.600) 2.602 1.511 ( -3.207 -0.938 1.759) 3.776 1.595 ( -2.606 -1.079 1.588) 3.237 1.778 ( -6.162 0.665 -3.737) 7.237 1.836 ( 5.049 1.547 0.535) 5.308 1.917 ( 2.752 2.876 -0.039) 3.981 2.070 ( -4.432 -2.850 0.495) 5.292 2.309 ( 7.335 1.433 -2.506) 7.882 2.420 ( 28.066 -2.219 9.550) 29.729 3.163 ( 1.080 -14.718 -6.714) 16.213 3.610 ( 3.743 -6.510 0.670) 7.539 4.009 ( -4.050 -2.369 8.556) 9.758 4.853 ( -11.099 1.137 -9.639) 14.744 5.142 ( -10.228 4.830 3.686) 11.896 5.309 ( -0.924 -0.448 -4.764) 4.873 5.529 ( -3.689 1.495 -6.462) 7.590 5.677 ( 15.925 -3.465 12.441) 20.503 5.868 ( -6.875 -1.352 -0.800) 7.052 6.804 ( -0.569 4.404 -0.975) 4.547 7.014 ( -6.098 -4.040 -6.028) 9.479 8.724 ( 0.913 1.400 -2.639) 3.124 10.599 ( -1.790 -0.086 -0.540) 1.872 10.999 ( -4.136 8.138 -0.084) 9.129 11.315 ( -1.493 -6.193 0.757) 6.415 11.935 ( 0.499 4.024 7.130) 8.203 12.950 ( 11.868 1.783 4.898) 12.962 13.608 ( -3.807 0.410 -1.405) 4.079 13.635 ( -2.781 -1.596 -1.288) 3.456 14.166 ( -3.152 3.499 -2.580) 5.370 14.313 ( -1.065 -1.502 -0.663) 1.957 15.124 ( -0.208 1.566 -11.705) 11.811 18.418 ( -1.255 0.936 -0.846) 1.779 23.650 ( 7.429 5.502 -4.556) 10.306 24.926 ( 3.234 -1.236 0.980) 3.598 25.358 ( 0.637 6.702 0.865) 6.788 25.822 ( -15.099 -12.300 10.122) 21.948 26.152 ( 0.265 0.974 -1.230) 1.591 26.448 ( 9.589 -4.207 0.835) 10.505 33.708 ( -0.304 3.997 -5.583) 6.873 ======================= Grid point 80 (32/165) ======================= q-point: ( 0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 5.401 -3.028 10.441) 12.139 0.806 ( 6.948 -5.413 -0.621) 8.830 1.041 ( -2.636 0.258 -4.724) 5.416 1.296 ( -4.558 -2.117 -1.104) 5.146 1.329 ( 1.456 3.641 3.421) 5.204 1.408 ( 1.866 -1.544 -0.570) 2.488 1.455 ( -2.246 -0.863 -1.661) 2.923 1.540 ( 3.250 0.171 2.987) 4.418 1.592 ( -2.719 -1.052 2.342) 3.740 1.690 ( -5.417 -0.426 -4.226) 6.883 1.805 ( -1.803 2.717 0.505) 3.300 1.922 ( 4.808 1.819 0.303) 5.149 2.094 ( -3.641 -3.458 1.470) 5.233 2.287 ( -6.068 0.427 -3.738) 7.140 2.656 ( 8.470 1.895 0.281) 8.684 3.337 ( 0.798 -8.362 -5.257) 9.909 3.796 ( 5.849 -8.876 2.947) 11.031 4.167 ( 9.833 -8.266 1.860) 12.980 4.786 ( 6.024 0.397 0.784) 6.087 5.011 ( -4.235 1.931 -1.160) 4.797 5.271 ( -6.182 -3.710 -4.434) 8.464 5.404 ( -6.120 3.326 -7.163) 9.991 5.778 ( -1.987 -0.292 3.496) 4.032 6.002 ( 11.699 -1.439 8.112) 14.309 6.668 ( -2.780 4.643 -0.444) 5.430 7.052 ( -3.774 -5.587 -1.675) 6.947 8.652 ( -7.508 1.094 -5.205) 9.201 10.593 ( -0.840 -1.171 0.170) 1.451 10.818 ( -3.520 8.238 0.352) 8.965 11.409 ( -2.661 -7.461 0.899) 7.972 11.878 ( 1.657 6.847 4.692) 8.464 13.037 ( 12.023 5.464 3.545) 13.674 13.570 ( -2.605 -0.113 -1.734) 3.132 13.625 ( -2.696 -1.775 -2.808) 4.279 14.084 ( -0.709 2.687 0.254) 2.790 14.315 ( -2.902 -1.325 0.998) 3.343 15.035 ( -6.328 -0.666 -9.506) 11.439 18.396 ( 0.080 0.638 0.655) 0.918 23.609 ( 4.036 4.953 -1.009) 6.469 24.990 ( 1.849 -2.519 1.930) 3.673 25.256 ( 2.471 7.844 -2.474) 8.588 25.882 ( -12.755 -9.629 2.574) 16.188 26.152 ( 1.200 0.210 2.457) 2.742 26.624 ( 9.822 -4.055 -0.142) 10.627 33.616 ( -1.828 3.297 -3.235) 4.968 ======================= Grid point 81 (33/165) ======================= q-point: ( 0.50 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 5.423 6.148 -0.585) 8.219 0.933 ( 5.797 -2.454 -0.490) 6.314 1.044 ( 2.993 -4.760 0.516) 5.647 1.286 ( -2.182 1.055 -0.165) 2.430 1.315 ( 0.939 -1.157 2.483) 2.896 1.446 ( -3.621 -3.314 -2.796) 5.649 1.467 ( 1.186 -2.227 1.500) 2.935 1.562 ( -3.650 -0.836 2.470) 4.486 1.576 ( -1.841 -0.124 -1.570) 2.423 1.664 ( 3.903 2.386 2.064) 5.018 1.754 ( -2.971 0.033 -0.699) 3.052 1.943 ( 3.658 1.708 1.057) 4.173 2.078 ( -9.554 -0.561 -0.558) 9.587 2.151 ( -15.350 -0.332 -2.004) 15.483 2.582 ( -3.409 5.044 -2.983) 6.779 3.459 ( 10.997 -2.208 -5.639) 12.554 4.007 ( 8.098 -5.214 5.357) 11.020 4.432 ( 9.248 -8.400 0.450) 12.501 4.874 ( 1.221 1.014 -2.506) 2.967 5.028 ( 10.173 -3.078 -1.641) 10.755 5.200 ( -8.474 -0.985 -4.077) 9.456 5.338 ( 4.218 0.576 1.434) 4.492 5.830 ( 4.308 -3.694 2.094) 6.049 6.014 ( -3.449 6.584 3.331) 8.145 6.670 ( 5.216 -0.403 4.817) 7.112 7.080 ( -6.856 -6.071 -1.074) 9.221 8.494 ( -13.793 0.850 -7.306) 15.632 10.628 ( 0.269 -3.057 0.656) 3.139 10.681 ( -1.425 4.746 1.295) 5.121 11.508 ( -3.520 -7.893 1.101) 8.712 11.791 ( 3.075 8.250 1.639) 8.955 13.045 ( 10.032 9.201 1.749) 13.725 13.526 ( -4.202 -1.249 -6.105) 7.516 13.628 ( 1.145 -0.492 1.277) 1.784 14.063 ( 0.296 0.834 1.025) 1.354 14.313 ( -3.860 -2.193 2.737) 5.215 14.943 ( -7.837 -1.957 -8.825) 11.964 18.406 ( 1.355 -0.259 1.675) 2.170 23.568 ( 1.682 3.670 0.555) 4.075 25.058 ( -0.559 -3.267 2.069) 3.907 25.132 ( 3.550 8.688 -4.386) 10.360 25.904 ( -9.685 -7.711 -1.625) 12.486 26.180 ( -0.371 -0.668 5.860) 5.910 26.777 ( 10.811 -1.362 -1.141) 10.956 33.538 ( -2.563 1.984 -2.268) 3.956 ======================= Grid point 82 (34/165) ======================= q-point: (-0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 5.777 12.019 -5.928) 14.594 1.001 ( 1.276 1.316 1.181) 2.180 1.185 ( 7.197 -3.663 0.886) 8.124 1.240 ( -0.444 1.465 -0.185) 1.542 1.372 ( -2.337 -1.877 0.498) 3.039 1.426 ( -3.742 -0.614 -0.149) 3.795 1.477 ( -5.510 -1.271 -2.407) 6.145 1.524 ( -1.876 1.812 -0.356) 2.632 1.598 ( -1.108 -4.594 -0.372) 4.741 1.677 ( 4.249 2.525 2.226) 5.421 1.727 ( -3.850 -0.709 -1.015) 4.044 1.861 ( -15.137 4.221 -0.027) 15.715 1.928 ( -7.743 0.493 -0.399) 7.769 2.031 ( -5.820 -0.953 0.889) 5.964 2.539 ( 7.111 2.103 1.807) 7.633 3.596 ( 15.730 0.151 -5.595) 16.696 4.151 ( 9.162 3.696 5.424) 11.270 4.541 ( -3.999 -0.240 0.049) 4.007 4.771 ( -9.372 1.858 -5.563) 11.056 5.091 ( 9.904 2.902 -3.252) 10.821 5.291 ( 5.478 -8.676 -6.072) 11.923 5.460 ( 10.687 -2.612 7.550) 13.343 5.861 ( -5.886 4.212 2.597) 7.690 5.987 ( 10.170 -3.207 3.063) 11.095 6.714 ( -3.258 0.323 4.106) 5.252 7.145 ( -2.174 -9.010 -1.017) 9.324 8.290 ( -15.790 0.849 -6.732) 17.186 10.617 ( -0.627 1.248 2.108) 2.529 10.731 ( 1.904 -6.067 0.005) 6.359 11.599 ( -4.171 -7.311 1.517) 8.553 11.689 ( 4.001 8.570 -1.422) 9.564 12.964 ( 5.929 10.737 0.377) 12.271 13.501 ( -0.731 -1.779 -3.971) 4.412 13.674 ( 2.716 -1.506 2.106) 3.752 14.044 ( -1.658 0.759 -1.030) 2.094 14.329 ( -4.534 -3.023 3.949) 6.730 14.865 ( -5.537 -1.230 -7.594) 9.478 18.442 ( 1.580 -1.076 1.682) 2.546 23.522 ( -0.725 3.182 1.183) 3.472 24.993 ( 2.652 7.537 -4.501) 9.170 25.128 ( -0.918 -3.242 1.940) 3.888 25.928 ( -6.044 -6.715 -3.446) 9.669 26.208 ( -2.266 -1.120 6.940) 7.386 26.886 ( 11.382 1.652 -1.836) 11.647 33.474 ( -3.136 1.330 -1.812) 3.858 ======================= Grid point 83 (35/165) ======================= q-point: (-0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 8.731 14.227 -6.456) 17.898 0.844 ( -12.791 10.099 -1.379) 16.355 1.205 ( -6.833 10.711 5.144) 13.707 1.248 ( 0.926 -1.196 -1.847) 2.388 1.309 ( 4.346 -1.376 -1.755) 4.885 1.391 ( -0.855 -0.755 0.648) 1.312 1.451 ( -0.746 -0.197 -1.518) 1.703 1.544 ( 1.315 -1.874 0.459) 2.335 1.564 ( -1.924 2.601 0.011) 3.235 1.685 ( -0.428 1.534 0.816) 1.790 1.696 ( -3.140 -1.055 0.681) 3.382 1.792 ( -1.847 -1.868 2.489) 3.619 1.872 ( -4.946 -4.835 1.375) 7.052 2.015 ( -2.124 -0.483 0.284) 2.197 2.601 ( 4.765 0.961 0.487) 4.885 3.720 ( 15.100 3.600 -2.765) 15.768 4.032 ( 0.999 16.921 -7.128) 18.388 4.475 ( 3.137 5.054 2.773) 6.563 4.620 ( -13.691 -0.469 5.706) 14.840 5.175 ( 8.928 -0.253 -2.808) 9.363 5.471 ( 7.926 -7.975 -7.906) 13.745 5.602 ( -0.103 -4.838 -1.487) 5.062 5.830 ( -1.434 -2.717 4.984) 5.855 6.117 ( 5.920 0.738 1.589) 6.174 6.652 ( -6.292 1.239 4.079) 7.600 7.296 ( 0.051 -10.324 -4.194) 11.143 8.111 ( -8.351 1.788 -1.696) 8.707 10.623 ( -0.612 -1.131 2.871) 3.145 10.861 ( 1.217 -7.592 -2.610) 8.120 11.574 ( 2.366 7.500 -3.443) 8.585 11.685 ( -2.356 -5.809 2.539) 6.763 12.847 ( 2.272 8.442 0.898) 8.789 13.531 ( 2.558 -1.622 -1.211) 3.262 13.739 ( 2.103 -2.083 0.895) 3.092 14.013 ( -0.176 0.746 0.600) 0.974 14.337 ( -5.958 -2.701 3.823) 7.577 14.802 ( -0.840 1.338 -6.151) 6.351 18.479 ( 0.202 -1.423 0.698) 1.598 23.454 ( -2.680 3.431 1.342) 4.556 24.903 ( 4.234 5.537 -3.751) 7.916 25.174 ( -2.842 -3.719 3.015) 5.567 25.971 ( -2.610 -5.835 -3.749) 7.410 26.226 ( -2.612 -1.147 5.577) 6.264 26.941 ( 8.474 3.564 -3.655) 9.893 33.414 ( -2.060 1.593 -0.701) 2.697 ======================= Grid point 84 (36/165) ======================= q-point: (-0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 10.431 11.540 -3.274) 15.897 0.590 ( 3.889 11.007 8.724) 14.574 0.986 ( 5.725 15.719 13.748) 21.654 1.283 ( -2.591 -0.226 -3.554) 4.404 1.314 ( 5.418 -0.111 -2.851) 6.123 1.421 ( 0.751 0.958 -1.702) 2.092 1.441 ( -1.681 0.206 0.828) 1.885 1.524 ( 0.942 -0.355 0.864) 1.326 1.595 ( 0.432 -1.299 1.262) 1.862 1.658 ( -0.761 1.174 0.117) 1.404 1.719 ( 3.274 -0.829 2.858) 4.424 1.783 ( -0.741 0.126 2.672) 2.776 1.961 ( -3.675 -5.369 -0.959) 6.576 2.009 ( 1.383 -2.060 0.366) 2.508 2.564 ( -6.890 1.731 -3.444) 7.895 3.600 ( -3.175 21.537 -4.984) 22.333 3.788 ( 14.279 11.691 -13.323) 22.761 4.443 ( -8.913 -1.405 5.958) 10.813 4.600 ( 0.411 -0.761 13.200) 13.228 5.225 ( 0.993 -1.235 -2.783) 3.203 5.609 ( -11.376 -5.237 -9.022) 15.434 5.634 ( 5.184 -5.565 -6.624) 10.086 5.876 ( -4.692 -3.080 0.228) 5.617 6.059 ( -9.281 3.164 -1.475) 9.916 6.616 ( 0.350 1.035 4.910) 5.030 7.388 ( -5.901 -6.354 -9.726) 13.030 8.128 ( 17.172 0.284 6.936) 18.522 10.651 ( -1.914 -2.073 2.593) 3.832 10.968 ( -1.170 -7.103 -4.596) 8.541 11.456 ( 0.944 7.108 -3.983) 8.203 11.774 ( -1.100 -5.248 5.170) 7.448 12.757 ( 0.593 4.538 1.919) 4.963 13.585 ( 3.542 -0.738 0.272) 3.629 13.778 ( -1.624 -1.856 -0.674) 2.557 14.064 ( 8.948 -1.379 3.979) 9.890 14.333 ( -4.636 -2.068 4.675) 6.901 14.767 ( 8.727 3.565 -5.155) 10.744 18.491 ( -2.214 -1.198 -0.618) 2.592 23.384 ( 0.341 2.842 1.892) 3.431 24.868 ( 4.135 3.065 -1.868) 5.476 25.229 ( -2.663 -5.193 4.808) 7.561 26.033 ( -0.002 -4.777 -2.760) 5.518 26.233 ( -1.934 -0.458 2.497) 3.192 26.856 ( -6.914 8.227 -8.791) 13.883 33.412 ( 6.991 -0.037 2.224) 7.337 ======================= Grid point 87 (37/165) ======================= q-point: ( 0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 9.016 0.000 2.201) 9.281 0.747 ( 9.319 0.000 10.145) 13.776 1.026 ( -2.409 -0.000 -3.847) 4.539 1.234 ( -3.759 -0.000 -2.523) 4.527 1.349 ( -0.328 -0.000 -2.946) 2.964 1.430 ( -5.443 -0.000 0.004) 5.443 1.485 ( -1.004 -0.000 0.757) 1.258 1.518 ( 9.757 0.000 4.330) 10.675 1.556 ( -4.196 -0.000 2.453) 4.860 1.675 ( -8.844 -0.000 -5.477) 10.402 1.910 ( 3.663 0.000 0.026) 3.663 1.968 ( -4.700 -0.000 2.662) 5.401 1.976 ( 1.732 0.000 -0.304) 1.758 2.300 ( -7.087 -0.000 -4.071) 8.173 2.700 ( 15.967 0.000 2.254) 16.125 3.046 ( 4.767 0.000 -8.899) 10.095 3.627 ( 7.252 0.000 1.816) 7.476 4.057 ( 11.473 0.000 9.483) 14.885 4.794 ( 4.133 0.000 -2.046) 4.612 5.104 ( -8.208 -0.000 5.453) 9.855 5.163 ( -12.169 -0.000 -13.250) 17.990 5.468 ( -3.458 -0.000 -5.541) 6.531 5.747 ( -9.866 -0.000 -2.226) 10.114 5.967 ( 23.217 0.000 15.231) 27.768 6.843 ( -7.237 -0.000 -3.829) 8.187 6.868 ( -2.239 -0.000 0.077) 2.240 8.676 ( -8.342 -0.000 -4.589) 9.521 10.578 ( -1.222 -0.000 -1.060) 1.617 11.017 ( -6.738 -0.000 -0.082) 6.738 11.242 ( -2.062 -0.000 1.964) 2.848 11.999 ( 0.077 0.000 6.247) 6.247 13.140 ( 15.743 0.000 4.559) 16.390 13.558 ( -6.558 -0.000 -3.337) 7.358 13.596 ( 1.574 0.000 0.728) 1.734 14.163 ( -2.262 -0.000 -0.161) 2.267 14.276 ( -1.511 -0.000 -2.824) 3.203 15.017 ( -10.937 -0.000 -11.891) 16.156 18.411 ( -0.793 -0.000 -0.425) 0.900 23.735 ( 3.612 0.000 -5.334) 6.442 24.961 ( 3.785 0.000 0.618) 3.835 25.426 ( -0.536 -0.000 0.107) 0.547 25.629 ( -8.583 -0.000 10.467) 13.536 26.159 ( 0.219 0.000 1.148) 1.169 26.534 ( 11.552 0.000 -0.197) 11.553 33.690 ( -3.792 -0.000 -5.377) 6.580 ======================= Grid point 88 (38/165) ======================= q-point: ( 0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 9.666 -3.909 3.409) 10.969 0.879 ( 10.063 0.858 7.321) 12.474 1.001 ( -0.450 -0.915 -5.468) 5.563 1.207 ( -2.978 -1.677 -1.935) 3.928 1.334 ( -2.127 -0.420 -3.343) 3.984 1.378 ( -5.978 -0.465 -0.250) 6.001 1.415 ( -7.883 -1.058 -1.510) 8.095 1.511 ( -6.439 -1.186 2.323) 6.947 1.596 ( -1.337 0.624 -2.121) 2.583 1.667 ( 9.036 -0.739 3.976) 9.899 1.865 ( 0.189 4.585 1.036) 4.705 1.988 ( 3.246 0.815 -0.454) 3.378 2.005 ( -2.802 -2.978 3.163) 5.169 2.169 ( -12.861 0.631 -1.864) 13.010 2.721 ( -3.455 3.100 -4.592) 6.529 3.165 ( 5.372 -11.398 -9.505) 15.783 3.762 ( 8.003 -5.353 2.343) 9.909 4.296 ( 23.135 -0.461 6.576) 24.055 4.915 ( 12.602 -0.154 1.015) 12.644 4.948 ( -9.121 0.481 -8.667) 12.591 5.100 ( -5.229 -3.351 1.548) 6.400 5.413 ( 0.150 2.034 -0.711) 2.160 5.679 ( -5.400 -3.925 -2.814) 7.245 6.187 ( 9.185 2.953 9.346) 13.433 6.728 ( -0.842 3.807 2.094) 4.426 6.889 ( -6.933 -5.536 -0.789) 8.907 8.530 ( -13.276 0.808 -5.627) 14.442 10.569 ( -0.461 -0.578 -0.709) 1.024 10.890 ( -5.839 5.745 0.526) 8.208 11.272 ( -3.550 -5.390 1.748) 6.686 11.991 ( 0.145 3.377 3.999) 5.236 13.287 ( 15.383 3.979 1.949) 16.008 13.477 ( -6.952 -1.258 -4.760) 8.519 13.646 ( 6.559 1.322 3.243) 7.435 14.123 ( -0.437 2.384 0.347) 2.448 14.258 ( -3.197 -1.365 -0.709) 3.547 14.846 ( -15.088 -2.821 -10.221) 18.441 18.404 ( -0.183 0.049 0.517) 0.551 23.710 ( 1.866 3.580 -2.533) 4.766 24.998 ( 1.928 -0.316 1.083) 2.234 25.382 ( 1.855 4.880 -1.551) 5.446 25.643 ( -7.848 -6.222 4.647) 11.040 26.172 ( 0.465 0.026 3.212) 3.246 26.675 ( 10.463 -2.934 -0.875) 10.902 33.613 ( -3.627 1.735 -3.546) 5.361 ======================= Grid point 89 (39/165) ======================= q-point: ( 0.50 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 5.297 0.492 -2.401) 5.837 0.977 ( 4.255 -0.136 -1.216) 4.428 1.024 ( 10.734 -3.320 4.755) 12.201 1.231 ( -1.303 -2.701 1.943) 3.573 1.251 ( -9.028 -2.756 -4.323) 10.382 1.332 ( -5.022 -2.558 -3.434) 6.600 1.425 ( -2.579 -4.079 0.831) 4.897 1.467 ( -6.618 -1.163 0.301) 6.726 1.584 ( 1.226 0.591 1.020) 1.701 1.734 ( 1.005 1.032 -0.819) 1.657 1.802 ( 1.660 4.279 2.092) 5.044 1.961 ( -7.414 1.215 -1.182) 7.605 1.990 ( -6.659 2.233 0.862) 7.076 2.042 ( -3.103 1.357 2.409) 4.156 2.601 ( -2.437 2.106 -3.518) 4.770 3.413 ( 9.351 -12.547 -8.932) 18.019 3.980 ( 7.372 -8.857 4.131) 12.242 4.535 ( 16.408 1.498 4.009) 16.957 4.777 ( -10.048 -0.603 -9.489) 13.834 5.064 ( -1.566 -4.093 -1.805) 4.740 5.164 ( 14.033 -0.102 0.256) 14.036 5.430 ( 4.588 0.627 5.336) 7.065 5.768 ( 4.457 -8.760 -1.100) 9.890 6.118 ( -4.860 9.185 4.169) 11.197 6.712 ( -3.982 -0.722 4.128) 5.781 6.913 ( -2.465 -4.514 0.217) 5.148 8.342 ( -13.107 1.701 -4.938) 14.110 10.587 ( 0.258 -2.043 -0.317) 2.084 10.746 ( -3.552 5.419 1.278) 6.604 11.344 ( -4.082 -7.356 1.182) 8.495 11.931 ( 0.651 5.541 0.947) 5.659 13.338 ( 12.285 9.063 -1.942) 15.389 13.431 ( -2.545 -2.088 -2.312) 4.023 13.674 ( 3.284 2.876 2.369) 4.967 14.088 ( -0.898 1.758 0.364) 2.008 14.251 ( -2.812 -1.695 1.888) 3.788 14.742 ( -10.771 -6.041 -7.417) 14.405 18.413 ( 0.262 -0.627 1.026) 1.230 23.655 ( 1.208 4.264 -0.327) 4.444 25.023 ( -0.678 -1.395 0.831) 1.760 25.293 ( 3.570 7.840 -3.892) 9.453 25.689 ( -6.414 -7.013 1.876) 9.687 26.188 ( -0.818 -0.046 4.761) 4.831 26.829 ( 8.509 -3.815 -1.986) 9.534 33.538 ( -2.290 2.081 -1.953) 3.659 ======================= Grid point 90 (40/165) ======================= q-point: (-0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 5.312 7.379 -4.722) 10.245 1.048 ( 0.705 1.523 1.252) 2.093 1.175 ( -2.297 -1.743 -0.708) 2.969 1.203 ( 4.974 -5.146 0.840) 7.206 1.270 ( -7.276 -1.928 -4.035) 8.540 1.357 ( 0.391 -4.339 0.342) 4.370 1.429 ( -0.153 -1.460 0.355) 1.511 1.494 ( -1.339 -6.397 -0.237) 6.540 1.591 ( 1.639 3.457 0.118) 3.828 1.658 ( -5.120 0.626 -1.446) 5.357 1.775 ( -1.770 2.811 3.582) 4.886 1.817 ( -3.628 4.039 -0.274) 5.436 1.871 ( -5.414 3.599 2.473) 6.955 2.027 ( 0.001 0.988 0.565) 1.138 2.594 ( 1.737 -0.880 -1.216) 2.296 3.674 ( 14.176 -7.725 -7.919) 17.981 4.180 ( -1.555 -6.220 6.025) 8.798 4.594 ( -0.384 2.254 0.028) 2.287 4.691 ( 1.765 2.168 -1.905) 3.383 5.092 ( -1.582 -4.505 -4.378) 6.478 5.327 ( 15.531 -0.218 -1.679) 15.623 5.486 ( -1.443 -2.388 -0.204) 2.798 5.910 ( -6.075 8.448 4.678) 11.409 5.996 ( 6.894 -8.532 -0.843) 11.001 6.670 ( -7.999 -0.733 4.317) 9.119 6.987 ( -0.641 -6.262 -1.173) 6.403 8.188 ( -5.325 2.545 -1.027) 5.990 10.631 ( -0.155 -1.495 0.132) 1.509 10.667 ( -1.215 0.019 0.903) 1.514 11.433 ( -3.753 -7.930 0.626) 8.795 11.836 ( 1.087 6.751 -1.868) 7.088 13.220 ( 3.598 12.790 -3.977) 13.869 13.468 ( 2.734 -1.688 1.100) 3.396 13.682 ( 1.009 -0.792 1.327) 1.846 14.046 ( -1.437 1.178 -0.064) 1.859 14.264 ( -2.465 -1.694 2.541) 3.924 14.751 ( -1.377 -4.844 -3.930) 6.388 18.433 ( -0.253 -1.217 0.635) 1.396 23.591 ( 0.113 4.547 0.742) 4.608 25.030 ( -2.538 -1.359 -0.950) 3.032 25.187 ( 4.162 7.453 -3.021) 9.055 25.759 ( -2.834 -6.841 0.491) 7.421 26.195 ( -2.244 -0.382 5.498) 5.950 26.948 ( 5.145 -2.708 -3.585) 6.830 33.481 ( -0.641 2.253 -0.694) 2.444 ======================= Grid point 91 (41/165) ======================= q-point: (-0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 3.687 10.750 -7.866) 13.821 0.922 ( -2.055 7.822 0.950) 8.143 1.219 ( 0.637 -2.675 -0.269) 2.763 1.268 ( 4.536 -1.207 -1.327) 4.877 1.315 ( -0.420 -2.364 1.650) 2.913 1.353 ( -4.234 -1.091 -1.966) 4.794 1.489 ( 3.564 1.391 2.037) 4.334 1.511 ( 0.193 -0.299 -0.167) 0.394 1.584 ( 0.012 -1.680 -0.217) 1.694 1.669 ( -0.155 -1.672 -0.029) 1.679 1.741 ( 2.449 -1.881 1.479) 3.424 1.774 ( 4.694 5.207 5.900) 9.163 1.801 ( -3.660 0.118 3.230) 4.883 2.003 ( -1.436 0.694 -0.954) 1.858 2.593 ( -3.257 0.079 -2.777) 4.281 3.879 ( 13.061 -1.961 -6.430) 14.690 4.165 ( -9.701 2.226 5.231) 11.244 4.438 ( -11.221 5.308 -4.994) 13.380 4.759 ( 15.979 5.720 9.560) 19.479 5.143 ( -0.340 -4.334 -6.379) 7.720 5.409 ( -8.659 -4.129 -6.760) 11.736 5.507 ( 4.658 -2.536 -3.340) 6.268 5.799 ( -2.419 1.729 4.573) 5.454 6.094 ( -5.918 -2.587 -3.326) 7.265 6.637 ( -2.247 -0.264 4.200) 4.771 7.095 ( -1.394 -9.106 -4.361) 10.192 8.176 ( 9.846 2.080 5.004) 11.239 10.620 ( -0.748 0.536 2.587) 2.745 10.726 ( -1.534 -6.401 -2.833) 7.166 11.530 ( -2.151 -7.350 0.277) 7.663 11.722 ( 0.856 6.849 -2.672) 7.402 13.008 ( -2.363 10.680 -2.298) 11.177 13.545 ( 5.055 -1.625 1.567) 5.536 13.713 ( -1.440 -1.919 0.810) 2.532 14.041 ( 1.886 -0.199 1.556) 2.454 14.274 ( -2.090 -1.464 2.760) 3.759 14.815 ( 5.861 -1.194 -2.556) 6.505 18.446 ( -1.834 -1.359 -0.332) 2.306 23.513 ( -0.768 4.675 1.108) 4.865 25.005 ( 1.122 2.143 -3.307) 4.097 25.130 ( 0.227 1.578 0.316) 1.625 25.857 ( 1.286 -5.901 -0.116) 6.041 26.203 ( -2.479 -0.936 5.085) 5.734 26.978 ( -1.148 0.041 -5.639) 5.755 33.450 ( 1.998 1.967 0.594) 2.866 ======================= Grid point 92 (42/165) ======================= q-point: (-0.12 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 6.181 8.981 -4.855) 11.935 0.835 ( 2.923 8.640 7.849) 12.033 1.232 ( -3.537 -0.602 -4.032) 5.398 1.264 ( 3.736 2.484 1.237) 4.654 1.343 ( -7.714 -3.038 1.406) 8.409 1.363 ( 7.108 -0.771 -1.646) 7.337 1.504 ( 5.937 1.720 2.054) 6.514 1.565 ( 2.529 3.118 -0.038) 4.015 1.599 ( 5.441 -1.801 2.240) 6.153 1.642 ( -3.520 0.477 -1.686) 3.932 1.789 ( -1.434 -0.450 2.597) 3.000 1.824 ( 8.292 -0.002 5.215) 9.795 1.868 ( 4.402 -2.146 1.152) 5.031 1.998 ( 4.216 -1.750 0.168) 4.568 2.494 ( -7.272 3.489 -2.194) 8.359 3.868 ( -3.187 12.118 3.666) 13.055 4.000 ( -8.300 3.842 -9.104) 12.905 4.223 ( -5.113 6.471 -2.408) 8.592 4.899 ( 19.001 4.738 12.727) 23.355 5.138 ( -5.490 -2.325 -4.723) 7.606 5.317 ( -16.530 -4.880 -12.091) 21.053 5.542 ( -6.602 -4.643 -2.096) 8.339 5.823 ( 3.677 -0.152 0.424) 3.705 5.971 ( -12.283 1.287 -1.423) 12.432 6.668 ( 2.903 -1.062 2.849) 4.204 7.179 ( -3.731 -6.141 -7.805) 10.609 8.361 ( 20.236 -0.956 6.626) 21.315 10.622 ( -1.287 -0.479 2.454) 2.812 10.800 ( -3.214 -7.476 -3.921) 9.033 11.562 ( 0.940 5.543 -3.258) 6.498 11.682 ( -1.137 -5.626 3.344) 6.642 12.844 ( -1.235 5.382 0.379) 5.535 13.621 ( 4.244 -0.485 0.878) 4.361 13.712 ( -4.224 -1.413 0.362) 4.469 14.093 ( 1.372 -2.631 0.568) 3.021 14.303 ( 0.253 -1.396 4.348) 4.574 14.901 ( 12.281 0.178 -2.830) 12.604 18.436 ( -3.163 -1.188 -0.958) 3.512 23.451 ( 1.446 2.829 1.237) 3.410 24.967 ( 3.865 4.239 -2.136) 6.122 25.143 ( -1.926 -3.982 1.457) 4.657 25.972 ( 3.985 -4.282 0.109) 5.850 26.211 ( -2.338 -0.730 3.038) 3.903 26.847 ( -10.214 6.283 -6.713) 13.743 33.483 ( 6.044 -0.804 1.253) 6.225 ======================= Grid point 96 (43/165) ======================= q-point: ( 0.38 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 6.807 0.000 0.705) 6.844 0.964 ( 2.758 0.000 -3.214) 4.235 1.035 ( 9.053 0.000 6.070) 10.900 1.169 ( -1.439 -0.000 -2.319) 2.729 1.215 ( -15.452 -0.000 -3.955) 15.951 1.300 ( -2.542 -0.000 -2.510) 3.572 1.329 ( -4.261 -0.000 0.704) 4.318 1.438 ( -6.545 -0.000 2.196) 6.904 1.598 ( -0.145 -0.000 -0.225) 0.267 1.752 ( 4.635 0.000 0.911) 4.724 1.889 ( -3.361 -0.000 -2.334) 4.092 1.989 ( -4.932 -0.000 -2.716) 5.630 2.015 ( 3.088 0.000 6.681) 7.361 2.074 ( -4.229 -0.000 2.959) 5.161 2.658 ( -6.796 -0.000 -6.503) 9.406 3.085 ( 7.192 0.000 -8.325) 11.002 3.810 ( 8.004 0.000 1.635) 8.170 4.593 ( 23.761 0.000 3.950) 24.087 4.757 ( -13.243 -0.000 -9.852) 16.506 4.995 ( 2.742 0.000 0.387) 2.769 5.160 ( 12.684 0.000 4.698) 13.526 5.449 ( 2.249 0.000 3.603) 4.248 5.580 ( -1.962 -0.000 -4.618) 5.017 6.309 ( 0.506 0.000 7.851) 7.867 6.675 ( -13.277 -0.000 -0.102) 13.278 6.845 ( 4.904 0.000 2.580) 5.541 8.374 ( -12.644 -0.000 -4.286) 13.351 10.561 ( 0.316 0.000 -0.706) 0.774 10.878 ( -5.720 -0.000 0.457) 5.738 11.191 ( -4.013 -0.000 1.818) 4.405 12.026 ( -0.994 -0.000 2.048) 2.277 13.384 ( -4.852 -0.000 -3.233) 5.830 13.462 ( 11.611 0.000 -0.756) 11.635 13.804 ( 13.883 0.000 3.508) 14.320 14.144 ( -0.603 -0.000 0.448) 0.752 14.215 ( -1.387 -0.000 -0.732) 1.568 14.583 ( -19.862 -0.000 -7.362) 21.183 18.402 ( -0.427 -0.000 0.585) 0.724 23.740 ( 0.593 0.000 -2.013) 2.098 25.007 ( -0.196 -0.000 -1.098) 1.116 25.428 ( 0.030 0.000 1.350) 1.350 25.564 ( -2.041 -0.000 2.043) 2.888 26.191 ( 0.288 0.000 3.580) 3.592 26.742 ( 7.843 0.000 -1.421) 7.971 33.578 ( -2.765 -0.000 -2.513) 3.736 ======================= Grid point 97 (44/165) ======================= q-point: ( 0.50 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 3.966 -5.291 -4.729) 8.129 0.991 ( 0.694 0.887 0.446) 1.211 1.098 ( -2.719 -3.698 0.816) 4.662 1.132 ( 3.151 0.162 0.869) 3.272 1.205 ( 2.830 -2.713 2.871) 4.860 1.239 ( -5.465 0.892 -1.226) 5.672 1.324 ( -4.189 -3.329 0.269) 5.357 1.401 ( -2.916 -0.996 0.674) 3.155 1.590 ( -0.721 -0.296 0.566) 0.963 1.769 ( 1.200 2.066 -1.662) 2.911 1.827 ( -2.941 1.315 -1.877) 3.728 1.906 ( -4.744 1.734 -0.234) 5.056 2.017 ( -2.780 2.456 0.950) 3.829 2.062 ( -0.522 0.847 1.571) 1.860 2.587 ( 0.239 0.712 -3.243) 3.329 3.252 ( 8.645 -12.131 -5.442) 15.859 3.933 ( 4.127 -5.636 0.576) 7.009 4.634 ( -3.168 0.401 -2.504) 4.058 4.740 ( 5.634 0.895 -4.851) 7.488 5.040 ( 3.459 1.417 6.546) 7.538 5.312 ( 13.162 -0.689 0.070) 13.181 5.459 ( -2.738 0.547 -0.050) 2.793 5.650 ( 3.626 -9.114 -2.591) 10.146 6.239 ( -4.342 8.286 6.582) 11.438 6.591 ( -9.093 -3.498 3.657) 10.406 6.892 ( 0.875 -0.752 -0.531) 1.270 8.253 ( -5.141 1.112 -1.076) 5.369 10.569 ( 0.754 -0.568 -0.397) 1.024 10.793 ( -3.178 4.040 0.992) 5.235 11.201 ( -3.814 -5.133 0.792) 6.444 11.994 ( -1.257 2.554 -0.454) 2.883 13.357 ( -0.419 -1.238 -1.732) 2.170 13.552 ( 8.112 1.453 -0.507) 8.257 13.833 ( 4.584 10.039 -3.962) 11.725 14.091 ( -4.660 2.053 -0.723) 5.143 14.215 ( -2.200 -1.967 -0.701) 3.033 14.505 ( -3.141 -8.329 2.631) 9.283 18.404 ( -0.491 -0.510 0.548) 0.895 23.720 ( 0.816 2.535 -0.614) 2.733 24.987 ( -2.569 -0.598 -2.886) 3.910 25.412 ( 2.253 3.502 -1.777) 4.528 25.576 ( -1.797 -2.573 3.912) 5.015 26.201 ( -0.789 0.411 3.821) 3.924 26.827 ( 4.287 -3.108 -2.210) 5.738 33.543 ( -0.569 1.142 -1.180) 1.738 ======================= Grid point 98 (45/165) ======================= q-point: (-0.38 -0.62 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -1.387 0.551 -2.457) 2.875 1.036 ( 3.317 -1.258 -4.400) 5.652 1.131 ( -3.606 -2.325 -0.072) 4.291 1.192 ( 3.761 -1.965 2.095) 4.732 1.195 ( 1.472 -2.238 1.915) 3.293 1.275 ( -4.206 -2.602 0.204) 4.950 1.370 ( 1.678 -6.104 1.216) 6.446 1.418 ( 0.563 -2.155 -0.730) 2.344 1.609 ( -0.018 -0.875 0.949) 1.291 1.690 ( 2.814 5.547 -3.039) 6.922 1.802 ( -1.753 0.069 1.215) 2.134 1.839 ( 0.417 3.571 0.544) 3.636 1.931 ( -2.307 2.737 -0.038) 3.580 2.037 ( -1.741 1.116 -0.164) 2.074 2.600 ( 3.920 0.869 -0.215) 4.021 3.558 ( 6.981 -15.463 -4.813) 17.635 4.046 ( -5.362 -6.970 2.023) 9.023 4.580 ( -4.002 3.122 -4.190) 6.582 4.790 ( 9.188 -3.070 1.048) 9.744 5.060 ( 2.969 1.983 2.561) 4.394 5.371 ( -10.539 -0.391 -6.556) 12.418 5.428 ( 3.463 -1.210 0.698) 3.734 5.850 ( 0.104 -10.743 -1.256) 10.816 6.067 ( -0.732 11.051 5.939) 12.567 6.596 ( -3.010 -2.094 3.699) 5.209 6.898 ( -2.178 -3.019 -2.143) 4.295 8.241 ( 6.732 1.603 3.346) 7.687 10.590 ( 0.155 -1.560 -0.776) 1.749 10.708 ( -0.713 4.151 1.649) 4.523 11.273 ( -2.428 -7.351 -0.435) 7.754 11.919 ( -0.955 4.335 -2.290) 4.995 13.353 ( -0.550 4.717 -5.042) 6.926 13.538 ( 1.316 4.454 -0.442) 4.665 13.682 ( -2.420 1.708 -0.634) 3.029 14.043 ( -0.561 0.212 -0.470) 0.762 14.225 ( -1.748 -2.022 0.797) 2.789 14.692 ( 9.271 -5.553 3.976) 11.515 18.409 ( -1.010 -0.788 0.060) 1.282 23.670 ( 0.425 4.340 0.289) 4.370 24.957 ( -3.720 -1.844 -4.116) 5.846 25.343 ( 3.710 7.051 -3.479) 8.694 25.653 ( -0.197 -5.727 5.394) 7.870 26.195 ( -1.800 0.466 4.090) 4.493 26.899 ( -0.235 -3.889 -3.705) 5.377 33.520 ( 1.620 1.940 -0.143) 2.531 ======================= Grid point 99 (46/165) ======================= q-point: (-0.25 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -1.781 5.374 -8.357) 10.094 1.025 ( 2.318 3.364 1.536) 4.365 1.134 ( -9.496 -4.290 -1.466) 10.523 1.213 ( -1.891 -3.786 -0.055) 4.232 1.286 ( -1.450 -1.072 -0.394) 1.846 1.323 ( 6.981 -1.433 -0.816) 7.173 1.475 ( 2.632 -4.487 1.673) 5.465 1.506 ( 2.660 -5.399 0.699) 6.059 1.603 ( 2.180 1.797 1.723) 3.309 1.668 ( 0.112 1.917 -1.349) 2.347 1.776 ( -1.177 0.857 1.778) 2.298 1.834 ( 9.849 1.937 0.820) 10.071 1.920 ( 3.948 1.494 2.773) 5.051 1.996 ( -0.745 0.883 -1.174) 1.647 2.610 ( 3.803 3.667 2.217) 5.729 3.801 ( -1.803 -11.220 -5.753) 12.737 4.018 ( -14.872 -1.274 2.048) 15.067 4.478 ( -0.769 2.231 -2.570) 3.489 5.007 ( 15.676 -2.699 5.752) 16.915 5.069 ( 0.112 -0.847 -1.809) 2.001 5.207 ( -13.543 0.115 -10.124) 16.909 5.423 ( -7.685 -1.312 1.486) 7.937 5.924 ( -8.235 -2.748 -2.127) 8.939 5.948 ( 4.199 6.528 4.455) 8.949 6.600 ( -3.156 -2.062 -1.315) 3.993 6.979 ( 4.679 -5.377 0.127) 7.129 8.364 ( 15.358 0.627 5.727) 16.403 10.615 ( -1.318 -2.931 -1.920) 3.744 10.658 ( 0.417 2.757 2.338) 3.639 11.384 ( -0.390 -8.271 -1.136) 8.358 11.817 ( -0.806 5.662 -2.384) 6.196 13.110 ( -7.973 10.178 -6.208) 14.342 13.586 ( 5.713 -1.828 1.462) 6.174 13.661 ( -3.618 -1.250 1.112) 3.986 14.045 ( -0.044 -0.398 -0.307) 0.504 14.260 ( 1.430 -1.459 3.332) 3.909 14.874 ( 11.220 -1.888 0.981) 11.420 18.405 ( -1.953 -0.632 -0.510) 2.116 23.590 ( -0.722 5.088 0.561) 5.170 24.948 ( -2.563 -3.486 -4.381) 6.157 25.242 ( 2.638 7.631 -2.155) 8.357 25.799 ( 4.234 -6.452 4.856) 9.118 26.189 ( -1.853 -0.167 4.068) 4.474 26.901 ( -5.613 -1.883 -5.360) 7.986 33.513 ( 3.130 1.993 0.395) 3.732 ======================= Grid point 100 (47/165) ======================= q-point: (-0.12 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 3.238 5.465 -4.027) 7.521 0.981 ( -4.520 4.151 6.322) 8.810 1.100 ( -5.449 -4.560 -4.476) 8.397 1.233 ( -6.927 -0.658 0.034) 6.958 1.278 ( 3.610 -2.174 -0.885) 4.306 1.406 ( 4.529 -1.210 -2.386) 5.260 1.556 ( 0.065 0.643 1.396) 1.539 1.586 ( -5.282 0.378 -0.639) 5.334 1.603 ( 2.050 0.538 0.814) 2.270 1.634 ( 3.148 -4.022 1.200) 5.247 1.777 ( 0.769 -0.183 1.817) 1.982 1.893 ( -3.279 1.534 -0.788) 3.705 1.996 ( 20.165 1.447 2.026) 20.319 2.064 ( 9.845 -2.680 0.626) 10.222 2.579 ( 4.261 6.620 4.800) 9.220 3.732 ( -24.914 -1.981 -0.949) 25.011 3.942 ( -2.041 -0.279 -1.008) 2.293 4.426 ( 4.717 7.232 -4.186) 9.595 4.980 ( -16.908 -0.619 -7.782) 18.623 5.066 ( -2.085 1.635 -2.516) 3.653 5.216 ( 11.794 -1.175 3.095) 12.250 5.403 ( -0.573 -2.572 2.189) 3.426 5.818 ( -13.355 -0.185 -1.554) 13.446 5.935 ( 5.172 2.762 3.080) 6.623 6.610 ( -3.124 -4.214 -2.957) 6.022 7.110 ( 6.080 -2.049 -0.599) 6.444 8.552 ( 14.172 -0.806 3.323) 14.578 10.635 ( 0.157 1.259 2.361) 2.680 10.651 ( -2.305 -4.357 -2.179) 5.389 11.526 ( 1.829 -8.406 -0.695) 8.631 11.699 ( -1.432 6.369 -0.453) 6.544 12.898 ( -3.953 4.645 -2.175) 6.476 13.622 ( -2.743 -0.408 -0.191) 2.780 13.688 ( 2.509 -1.427 0.070) 2.887 14.047 ( -1.845 -1.236 -0.014) 2.221 14.318 ( 1.951 -0.679 4.818) 5.242 15.001 ( 9.711 -0.719 -2.678) 10.099 18.389 ( -2.068 -0.542 -0.357) 2.167 23.513 ( -0.018 3.248 0.723) 3.327 24.989 ( 0.627 -4.765 -3.971) 6.235 25.138 ( 0.281 5.824 -0.133) 5.832 25.973 ( 7.180 -4.259 4.072) 9.288 26.189 ( -2.212 -0.257 2.823) 3.595 26.794 ( -8.949 2.429 -5.460) 10.761 33.529 ( 3.470 0.264 0.109) 3.482 ======================= Grid point 105 (48/165) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 2.736 0.000 -4.331) 5.123 1.001 ( -4.619 -0.000 -3.086) 5.555 1.057 ( 6.185 0.000 4.549) 7.678 1.177 ( 5.521 0.000 1.790) 5.804 1.188 ( -5.869 -0.000 2.953) 6.570 1.225 ( -1.850 -0.000 -0.272) 1.870 1.266 ( 1.030 0.000 0.736) 1.266 1.376 ( -0.475 -0.000 -0.287) 0.555 1.597 ( 1.984 0.000 1.666) 2.591 1.797 ( 0.860 0.000 0.006) 0.860 1.818 ( 2.054 0.000 -2.805) 3.477 1.902 ( 0.335 0.000 -0.206) 0.393 1.951 ( -10.119 -0.000 -5.481) 11.508 2.061 ( -1.661 -0.000 0.391) 1.706 2.633 ( 7.615 0.000 0.802) 7.658 3.211 ( 6.874 0.000 -3.279) 7.617 3.885 ( -3.244 -0.000 -0.789) 3.339 4.669 ( -10.594 -0.000 -10.918) 15.213 4.696 ( 12.636 0.000 4.507) 13.416 5.156 ( 2.270 0.000 10.189) 10.439 5.346 ( -8.745 -0.000 -4.155) 9.682 5.449 ( 3.123 0.000 0.855) 3.237 5.581 ( 4.043 0.000 -3.607) 5.419 6.305 ( -4.854 -0.000 7.761) 9.154 6.527 ( 2.031 0.000 5.111) 5.499 6.853 ( -4.859 -0.000 -4.301) 6.489 8.269 ( 5.644 0.000 2.664) 6.242 10.576 ( 1.011 0.000 0.137) 1.021 10.816 ( -0.096 -0.000 0.858) 0.864 11.119 ( -2.946 -0.000 -0.188) 2.952 11.991 ( -2.027 -0.000 -1.964) 2.822 13.362 ( 3.583 0.000 1.052) 3.734 13.604 ( 0.415 0.000 0.042) 0.417 13.889 ( -13.787 -0.000 -17.269) 22.097 14.049 ( 1.116 0.000 -0.751) 1.345 14.125 ( -0.929 -0.000 -0.839) 1.251 14.565 ( 15.120 0.000 14.816) 21.169 18.396 ( -0.457 -0.000 0.339) 0.569 23.752 ( 1.698 0.000 -0.186) 1.708 24.928 ( -3.727 -0.000 -6.234) 7.263 25.443 ( 0.073 0.000 1.972) 1.974 25.575 ( 0.664 0.000 2.162) 2.262 26.209 ( -1.277 -0.000 3.211) 3.456 26.813 ( -0.035 -0.000 -2.114) 2.114 33.556 ( 1.916 0.000 -0.354) 1.948 ======================= Grid point 106 (49/165) ======================= q-point: (-0.38 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -8.183 -2.476 -3.007) 9.062 1.005 ( 0.759 -2.497 -3.023) 3.994 1.063 ( -7.775 -1.831 -1.129) 8.067 1.181 ( 0.250 2.480 0.932) 2.661 1.254 ( 10.536 -1.027 2.642) 10.911 1.274 ( 6.901 -1.265 2.731) 7.528 1.313 ( 1.468 -3.212 -0.003) 3.532 1.388 ( 1.175 -1.947 -1.244) 2.592 1.627 ( 2.529 0.305 1.883) 3.168 1.757 ( -7.912 1.754 -3.356) 8.772 1.809 ( 2.381 1.791 -0.509) 3.022 1.894 ( 5.910 -0.416 -1.811) 6.195 1.912 ( 2.339 -0.153 -0.345) 2.369 2.035 ( -1.272 1.079 -0.190) 1.679 2.722 ( 9.773 2.475 3.644) 10.719 3.354 ( 2.862 -11.315 -3.371) 12.148 3.875 ( -7.568 -5.021 1.243) 9.167 4.459 ( -17.906 -0.946 -11.363) 21.228 4.909 ( 19.631 -0.804 4.431) 20.141 5.145 ( -3.534 2.993 5.346) 7.073 5.181 ( -16.835 -0.983 -6.415) 18.043 5.458 ( 1.980 2.583 3.494) 4.775 5.690 ( 0.081 -7.560 0.260) 7.565 6.223 ( -5.685 4.934 5.322) 9.219 6.597 ( 4.549 2.193 0.590) 5.085 6.822 ( 0.942 -4.087 -0.389) 4.212 8.383 ( 12.870 0.363 4.546) 13.654 10.584 ( 0.532 0.230 0.264) 0.637 10.795 ( 2.627 4.288 1.142) 5.157 11.143 ( -0.912 -5.475 -1.548) 5.762 11.943 ( -2.003 1.903 -2.681) 3.850 13.394 ( -2.099 4.174 -3.468) 5.819 13.525 ( -7.888 -0.511 -4.564) 9.128 13.669 ( -4.863 1.652 -2.573) 5.745 14.064 ( 2.948 1.815 -1.397) 3.733 14.175 ( 2.725 -3.876 -0.389) 4.754 14.812 ( 16.490 -1.217 10.566) 19.622 18.395 ( -0.319 -0.066 0.093) 0.339 23.746 ( 1.814 3.375 0.087) 3.833 24.867 ( -3.745 -1.143 -7.486) 8.448 25.443 ( 1.871 2.285 -1.772) 3.444 25.604 ( -0.520 -2.891 6.671) 7.289 26.201 ( -1.551 0.548 3.103) 3.512 26.804 ( -4.418 -2.540 -2.732) 5.782 33.577 ( 3.919 1.345 0.020) 4.143 ======================= Grid point 107 (50/165) ======================= q-point: (-0.25 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -11.441 -2.591 -5.465) 12.941 0.951 ( -9.026 -1.718 2.516) 9.526 1.096 ( 2.237 -1.273 -5.234) 5.833 1.150 ( -1.356 0.292 1.194) 1.830 1.283 ( 0.837 0.892 -3.454) 3.665 1.354 ( 4.175 -1.208 -0.438) 4.368 1.420 ( 4.148 -4.951 1.099) 6.552 1.496 ( 5.366 -3.022 2.310) 6.577 1.626 ( -4.756 0.690 -0.235) 4.811 1.694 ( 3.418 0.746 1.662) 3.873 1.788 ( -0.079 1.832 0.713) 1.967 1.939 ( -0.281 0.718 -1.160) 1.393 1.983 ( 4.954 -1.805 -0.746) 5.325 2.061 ( 16.867 2.048 2.241) 17.138 2.757 ( 3.186 4.072 3.328) 6.149 3.538 ( -5.988 -11.131 -3.167) 13.030 3.833 ( -12.429 -3.068 -2.528) 13.049 4.350 ( -9.180 -8.929 -3.110) 13.178 4.968 ( -18.040 -0.351 -4.016) 18.484 5.074 ( 3.389 -0.013 -2.342) 4.119 5.162 ( 11.701 0.178 3.733) 12.284 5.456 ( 4.461 3.315 3.662) 6.656 5.747 ( -8.833 -3.943 0.452) 9.684 6.092 ( -7.304 3.683 2.139) 8.455 6.567 ( 3.841 3.314 -1.840) 5.396 6.993 ( 10.011 -5.076 4.292) 12.017 8.541 ( 13.227 -0.015 3.425) 13.663 10.581 ( -0.092 0.193 -0.305) 0.373 10.753 ( 3.361 5.105 1.814) 6.376 11.249 ( 1.393 -7.674 -2.434) 8.170 11.868 ( -1.876 3.425 -1.909) 4.347 13.116 ( -13.157 7.431 -8.801) 17.487 13.585 ( 2.920 -4.042 -0.523) 5.014 13.624 ( -2.199 0.494 0.923) 2.436 14.054 ( 1.643 1.418 -0.707) 2.283 14.275 ( 4.399 -2.442 3.046) 5.882 15.001 ( 12.400 0.915 3.585) 12.940 18.388 ( -0.424 0.403 0.003) 0.585 23.674 ( -0.453 5.971 -0.047) 5.988 24.839 ( -2.362 -3.275 -6.825) 7.930 25.373 ( 1.042 6.480 -2.611) 7.064 25.753 ( 4.369 -8.547 8.515) 12.832 26.191 ( -1.124 0.471 3.040) 3.275 26.767 ( -8.400 -2.618 -3.950) 9.645 33.587 ( 3.967 2.558 -0.348) 4.733 ======================= Grid point 108 (51/165) ======================= q-point: (-0.12 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -13.431 -5.583 -1.255) 14.599 0.922 ( 0.882 0.811 -0.978) 1.546 1.092 ( -2.360 -1.314 -1.559) 3.119 1.142 ( -1.058 -0.772 1.446) 1.951 1.316 ( 6.496 -0.036 0.356) 6.505 1.409 ( 2.991 -1.372 -2.043) 3.873 1.523 ( -1.841 -2.280 0.683) 3.009 1.543 ( -0.728 -1.540 0.353) 1.740 1.605 ( 0.505 -0.891 1.701) 1.986 1.695 ( 2.725 4.267 1.545) 5.293 1.789 ( 2.049 -0.756 0.867) 2.350 1.880 ( -3.371 2.061 -1.041) 4.086 2.076 ( 4.618 -3.091 -1.113) 5.668 2.257 ( 18.563 1.515 2.494) 18.791 2.675 ( -8.618 2.196 -1.484) 9.016 3.476 ( -16.244 -1.135 -0.909) 16.309 3.845 ( -1.571 -7.581 -2.294) 8.075 4.449 ( 0.799 -5.604 2.064) 6.026 4.806 ( -8.384 0.627 -1.962) 8.633 5.103 ( 1.830 0.191 1.822) 2.589 5.237 ( 4.725 0.254 -10.868) 11.854 5.470 ( -0.219 1.571 2.972) 3.369 5.693 ( -4.372 -0.874 5.271) 6.903 5.992 ( -4.788 0.956 0.472) 4.906 6.578 ( 6.181 1.995 0.109) 6.496 7.165 ( 6.979 -1.820 3.137) 7.865 8.655 ( 5.706 0.050 -1.072) 5.806 10.582 ( -0.196 -0.952 -0.526) 1.105 10.715 ( 2.719 4.579 2.596) 5.925 11.402 ( 3.340 -8.921 -1.893) 9.712 11.776 ( -1.917 4.940 -0.030) 5.299 12.890 ( -6.742 2.848 -4.640) 8.666 13.597 ( -1.637 0.340 0.762) 1.837 13.656 ( 0.177 -2.699 -3.870) 4.722 14.050 ( 1.792 1.347 0.769) 2.370 14.354 ( 2.018 -0.330 5.658) 6.016 15.070 ( 5.251 1.534 -3.664) 6.584 18.378 ( 0.114 0.469 0.689) 0.842 23.568 ( -1.776 4.464 0.253) 4.811 24.876 ( 0.044 -5.794 -5.728) 8.147 25.252 ( -0.652 7.131 -0.586) 7.185 25.998 ( 9.060 -6.444 7.265) 13.281 26.182 ( -1.669 0.633 2.255) 2.876 26.690 ( -8.054 -1.681 -4.131) 9.207 33.573 ( 1.678 2.211 -1.234) 3.037 ======================= Grid point 114 (52/165) ======================= q-point: (-0.38 -0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -6.635 -0.000 -1.657) 6.839 0.907 ( -15.096 -0.000 2.140) 15.247 1.009 ( 1.494 0.000 -4.186) 4.445 1.204 ( 1.850 0.000 -1.655) 2.483 1.295 ( 1.492 0.000 -3.198) 3.529 1.319 ( 3.591 0.000 -0.328) 3.605 1.364 ( 3.152 0.000 -3.613) 4.794 1.433 ( 11.593 0.000 5.415) 12.796 1.639 ( -9.252 -0.000 -2.187) 9.507 1.683 ( 5.386 0.000 3.663) 6.513 1.843 ( 2.292 0.000 -0.311) 2.313 1.917 ( 1.313 0.000 -0.632) 1.457 1.977 ( 2.032 0.000 -1.423) 2.481 2.103 ( 15.427 0.000 2.433) 15.618 2.833 ( 1.508 0.000 1.511) 2.135 3.265 ( 1.078 0.000 -3.392) 3.559 3.764 ( -7.511 -0.000 3.375) 8.234 4.162 ( -22.194 -0.000 -12.530) 25.487 4.953 ( -17.612 -0.000 -3.355) 17.929 5.137 ( -5.025 -0.000 4.469) 6.725 5.148 ( 20.969 0.000 2.872) 21.165 5.563 ( 4.748 0.000 7.985) 9.290 5.612 ( -2.178 -0.000 -2.842) 3.580 6.121 ( -17.481 -0.000 -0.056) 17.481 6.768 ( 11.046 0.000 3.555) 11.604 6.798 ( 7.395 0.000 3.138) 8.034 8.543 ( 12.992 0.000 3.336) 13.414 10.598 ( 0.804 0.000 0.974) 1.262 10.891 ( 5.910 0.000 0.913) 5.980 11.079 ( 0.424 0.000 -2.720) 2.752 11.923 ( -2.302 -0.000 -2.629) 3.494 13.274 ( -20.398 -0.000 -12.355) 23.848 13.492 ( 5.735 0.000 0.862) 5.799 13.638 ( -2.333 -0.000 0.882) 2.495 14.119 ( 1.778 0.000 0.000) 1.778 14.182 ( 7.710 0.000 -1.918) 7.945 15.030 ( 16.319 0.000 9.657) 18.963 18.399 ( 0.870 0.000 0.296) 0.919 23.808 ( 3.420 0.000 -0.570) 3.467 24.788 ( -2.761 -0.000 -9.085) 9.495 25.461 ( 0.138 0.000 1.750) 1.756 25.589 ( -2.514 -0.000 4.907) 5.513 26.204 ( -1.071 -0.000 2.783) 2.982 26.709 ( -7.833 -0.000 -1.877) 8.054 33.641 ( 5.784 0.000 -0.501) 5.806 ======================= Grid point 115 (53/165) ======================= q-point: (-0.25 -0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -13.371 3.232 -0.052) 13.756 0.834 ( -6.979 -5.579 3.459) 9.581 0.988 ( -5.017 -2.836 -6.428) 8.633 1.220 ( 4.579 3.184 -2.328) 6.044 1.283 ( 2.032 -1.085 -1.133) 2.567 1.353 ( 1.782 -2.457 -2.523) 3.947 1.442 ( 8.682 -0.898 -1.228) 8.814 1.531 ( 3.421 0.042 3.200) 4.684 1.576 ( -3.331 -0.483 1.554) 3.707 1.758 ( 4.838 0.072 2.737) 5.560 1.843 ( 2.151 2.895 0.567) 3.651 1.947 ( 0.397 0.478 -1.374) 1.508 1.964 ( 0.475 -2.176 -0.630) 2.314 2.306 ( 18.291 1.093 3.452) 18.646 2.721 ( -19.177 0.899 -5.443) 19.954 3.325 ( -2.257 -7.532 -2.109) 8.141 3.670 ( -11.449 0.935 -1.452) 11.579 4.054 ( -8.300 -13.096 -0.263) 15.507 4.828 ( -3.090 0.570 -0.456) 3.175 5.106 ( -0.212 1.556 4.557) 4.820 5.321 ( 10.296 1.865 -8.854) 13.707 5.503 ( -7.867 0.554 -1.747) 8.077 5.661 ( 2.375 -1.027 6.677) 7.160 5.978 ( -10.840 -1.358 4.098) 11.668 6.767 ( 9.112 7.797 3.088) 12.384 7.027 ( 10.443 -6.038 5.907) 13.432 8.665 ( 8.010 0.313 0.172) 8.018 10.602 ( 0.934 1.099 0.990) 1.749 10.900 ( 5.629 5.738 0.801) 8.078 11.146 ( 3.030 -6.238 -3.137) 7.611 11.878 ( -2.300 1.417 -1.403) 3.044 13.002 ( -15.596 2.561 -10.248) 18.836 13.557 ( 2.630 -1.797 -1.861) 3.689 13.628 ( 0.060 0.503 2.095) 2.155 14.121 ( 4.221 2.843 -0.141) 5.091 14.285 ( 4.869 -3.493 0.795) 6.045 15.183 ( 11.063 3.723 3.531) 12.195 18.407 ( 1.514 0.903 0.554) 1.848 23.778 ( 0.994 6.461 -1.905) 6.809 24.746 ( -0.964 -1.941 -7.854) 8.148 25.445 ( -0.990 3.360 -1.364) 3.759 25.667 ( 1.314 -10.048 10.002) 14.239 26.203 ( -0.270 0.534 2.602) 2.670 26.619 ( -10.440 -1.569 -1.989) 10.743 33.676 ( 5.121 2.769 -2.044) 6.170 ======================= Grid point 116 (54/165) ======================= q-point: (-0.12 -0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -16.368 -3.025 0.295) 16.648 0.892 ( -5.736 -6.568 3.839) 9.528 1.007 ( 4.748 -2.689 -3.137) 6.294 1.198 ( 4.069 2.570 -1.762) 5.125 1.366 ( 4.113 -2.815 1.311) 5.154 1.401 ( 1.877 -1.867 -2.448) 3.606 1.523 ( 1.619 0.944 2.390) 3.037 1.527 ( 2.399 0.183 0.094) 2.408 1.602 ( 0.250 -1.141 2.596) 2.846 1.790 ( 1.738 2.004 0.313) 2.671 1.816 ( 2.171 2.074 0.390) 3.028 1.882 ( -3.229 2.494 -0.279) 4.089 2.065 ( 5.226 -3.413 -0.449) 6.258 2.401 ( -8.807 2.063 -0.615) 9.067 2.431 ( -19.567 -3.291 -7.256) 21.127 3.360 ( -3.157 -1.023 2.339) 4.060 3.660 ( -0.234 -11.245 -3.830) 11.881 4.315 ( 3.788 -15.253 7.984) 17.628 4.839 ( 8.432 2.387 0.120) 8.764 5.098 ( -8.822 -0.693 -10.932) 14.064 5.192 ( -2.306 1.557 -2.176) 3.532 5.497 ( 4.479 3.058 0.453) 5.442 5.745 ( 5.844 -0.645 7.276) 9.354 5.935 ( -4.583 -0.004 4.384) 6.342 6.744 ( 5.636 5.683 2.223) 8.307 7.218 ( 7.396 -1.957 5.149) 9.222 8.672 ( -2.645 1.826 -5.049) 5.985 10.596 ( 1.182 1.315 1.101) 2.083 10.857 ( 4.619 6.332 1.536) 7.987 11.295 ( 4.968 -8.114 -2.772) 9.909 11.819 ( -2.206 2.815 0.838) 3.674 12.814 ( -7.875 0.356 -6.249) 10.059 13.576 ( -0.265 -0.785 -4.341) 4.419 13.640 ( 1.908 0.555 2.078) 2.875 14.110 ( 2.688 2.772 -1.537) 4.156 14.383 ( 1.928 -1.800 5.130) 5.769 15.146 ( -0.021 6.792 -5.275) 8.600 18.410 ( 2.012 1.253 1.429) 2.768 23.629 ( -3.791 6.940 -1.376) 8.026 24.772 ( 1.335 -4.331 -6.032) 7.545 25.338 ( -3.075 5.684 0.068) 6.463 25.993 ( 11.346 -11.912 8.927) 18.717 26.194 ( -0.877 1.410 2.155) 2.721 26.542 ( -8.209 -4.043 -1.928) 9.352 33.629 ( 0.149 4.630 -3.714) 5.937 ======================= Grid point 123 (55/165) ======================= q-point: (-0.25 -0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -15.873 -0.000 5.436) 16.778 0.644 ( -11.222 -0.000 1.215) 11.287 0.923 ( 4.596 0.000 -5.754) 7.365 1.299 ( 3.731 0.000 0.594) 3.778 1.303 ( 3.126 0.000 -4.643) 5.598 1.313 ( 2.446 0.000 -2.813) 3.728 1.528 ( 7.464 0.000 0.223) 7.467 1.561 ( -0.095 -0.000 2.876) 2.878 1.574 ( 1.146 0.000 2.793) 3.019 1.805 ( 1.236 0.000 0.193) 1.251 1.899 ( -2.881 -0.000 -0.391) 2.907 1.947 ( -2.124 -0.000 -1.428) 2.559 1.959 ( 10.464 0.000 2.061) 10.665 2.372 ( -34.633 -0.000 -11.043) 36.351 2.447 ( -0.043 -0.000 2.242) 2.243 3.235 ( -0.816 -0.000 -1.662) 1.852 3.618 ( -9.596 -0.000 3.253) 10.132 3.849 ( 2.289 0.000 5.184) 5.667 4.893 ( 10.245 0.000 -1.145) 10.308 5.132 ( -26.096 -0.000 -21.169) 33.602 5.186 ( 8.788 0.000 9.855) 13.204 5.554 ( 11.115 0.000 0.543) 11.128 5.735 ( 5.306 0.000 5.917) 7.947 5.932 ( -2.903 -0.000 9.380) 9.819 6.885 ( -2.952 -0.000 1.498) 3.311 7.142 ( 15.967 0.000 8.008) 17.863 8.713 ( 1.140 0.000 -3.929) 4.091 10.631 ( 1.350 0.000 1.597) 2.091 11.040 ( 6.721 0.000 0.507) 6.740 11.091 ( 3.166 0.000 -3.957) 5.068 11.861 ( -2.274 -0.000 -0.184) 2.282 12.829 ( -11.836 -0.000 -8.870) 14.791 13.559 ( 1.708 0.000 -3.003) 3.455 13.657 ( 2.605 0.000 2.588) 3.672 14.220 ( 5.996 0.000 2.417) 6.465 14.273 ( 1.952 0.000 -2.966) 3.551 15.340 ( 8.366 0.000 -1.527) 8.504 18.443 ( 2.622 0.000 0.741) 2.725 23.850 ( 1.973 0.000 -7.210) 7.475 24.701 ( 1.406 0.000 -5.871) 6.037 25.479 ( 0.667 0.000 0.664) 0.941 25.571 ( -4.500 -0.000 13.698) 14.418 26.221 ( 0.601 0.000 2.543) 2.613 26.484 ( -11.463 -0.000 -0.707) 11.485 33.748 ( 5.182 0.000 -5.671) 7.682 ======================= Grid point 124 (56/165) ======================= q-point: (-0.12 -0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( -17.840 7.201 3.236) 19.508 0.672 ( -10.343 -11.053 5.755) 16.194 1.032 ( 10.772 -3.588 -2.595) 11.647 1.279 ( 3.877 2.501 -2.879) 5.438 1.350 ( 1.298 -1.612 -0.488) 2.126 1.365 ( 1.155 -2.648 -3.160) 4.281 1.559 ( -0.115 1.789 2.011) 2.694 1.576 ( -2.383 -0.178 0.301) 2.408 1.596 ( 1.455 0.047 1.207) 1.891 1.720 ( -21.436 -2.905 -6.845) 22.689 1.845 ( -5.947 0.488 0.425) 5.982 1.868 ( -3.972 2.057 -1.777) 4.813 2.043 ( -11.498 0.395 -1.017) 11.550 2.145 ( 13.574 -2.534 2.557) 14.043 2.363 ( -12.245 1.335 0.491) 12.328 3.313 ( 1.377 -8.002 3.376) 8.794 3.517 ( -1.811 -2.593 -3.026) 4.377 4.171 ( 14.469 -15.390 15.371) 26.124 4.767 ( -26.216 -1.555 -18.218) 31.963 4.981 ( 9.638 1.087 -1.627) 9.834 5.369 ( 18.660 2.192 9.357) 20.989 5.623 ( 7.690 3.555 -3.239) 9.070 5.817 ( 5.098 -0.572 4.472) 6.806 5.948 ( -0.697 0.685 8.567) 8.622 6.805 ( -7.473 1.970 1.317) 7.840 7.330 ( 11.614 -0.058 5.494) 12.848 8.622 ( -9.606 3.471 -9.654) 14.054 10.642 ( 1.641 1.392 2.203) 3.080 11.013 ( 4.622 5.942 -0.463) 7.542 11.216 ( 5.456 -7.083 -2.591) 9.309 11.833 ( -2.013 1.086 2.056) 3.076 12.710 ( -5.340 -0.747 -5.419) 7.644 13.558 ( 0.859 0.137 -3.747) 3.847 13.698 ( 4.344 0.835 2.284) 4.978 14.179 ( -0.184 5.035 -3.816) 6.320 14.368 ( 2.253 -4.559 2.741) 5.777 15.247 ( -4.987 11.831 -11.126) 16.989 18.463 ( 2.651 1.169 1.366) 3.203 23.700 ( -6.080 9.665 -8.114) 14.008 24.726 ( 3.615 -1.608 -3.471) 5.263 25.388 ( -4.238 5.580 3.255) 7.726 25.899 ( 14.008 -21.329 12.889) 28.588 26.225 ( -0.278 1.701 2.643) 3.155 26.385 ( -8.928 -3.145 0.664) 9.489 33.689 ( -1.909 6.268 -9.644) 11.659 ======================= Grid point 132 (57/165) ======================= q-point: (-0.12 -0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( -12.105 -0.000 11.132) 16.445 0.369 ( -13.679 -0.000 5.622) 14.789 1.092 ( -48.676 -0.000 -10.256) 49.745 1.102 ( 11.116 0.000 -2.276) 11.347 1.321 ( 1.215 0.000 -2.597) 2.867 1.351 ( 0.380 0.000 -1.502) 1.550 1.413 ( 2.694 0.000 -1.776) 3.227 1.580 ( -3.017 -0.000 0.777) 3.116 1.601 ( 1.364 0.000 2.531) 2.875 1.618 ( 0.120 0.000 1.562) 1.567 1.790 ( -5.276 -0.000 -0.825) 5.340 1.833 ( -4.289 -0.000 0.602) 4.331 2.021 ( -0.091 -0.000 1.901) 1.903 2.241 ( -11.510 -0.000 -0.716) 11.532 2.331 ( 17.797 0.000 4.192) 18.284 3.252 ( 2.173 0.000 -0.756) 2.301 3.380 ( -13.612 -0.000 1.329) 13.677 4.380 ( 31.894 0.000 29.614) 43.522 4.431 ( -19.357 -0.000 -11.883) 22.713 5.091 ( 10.420 0.000 0.355) 10.426 5.628 ( 18.008 0.000 4.481) 18.558 5.713 ( 5.090 0.000 -4.681) 6.915 5.868 ( 3.882 0.000 2.024) 4.378 5.986 ( -0.299 -0.000 7.839) 7.844 6.717 ( -11.014 -0.000 3.035) 11.424 7.453 ( 7.316 0.000 2.073) 7.604 8.471 ( -17.737 -0.000 -19.049) 26.028 10.692 ( 3.224 0.000 3.363) 4.659 11.140 ( 4.123 0.000 -3.407) 5.349 11.154 ( 3.552 0.000 0.267) 3.562 11.836 ( -1.489 -0.000 4.211) 4.467 12.652 ( -0.962 -0.000 -2.351) 2.540 13.560 ( 1.591 0.000 -2.773) 3.197 13.764 ( 4.926 0.000 0.973) 5.021 14.181 ( -8.097 -0.000 -7.921) 11.327 14.349 ( 3.582 0.000 1.284) 3.805 15.216 ( -15.732 -0.000 -28.369) 32.439 18.504 ( 2.047 0.000 1.031) 2.292 23.662 ( -11.829 -0.000 -20.820) 23.946 24.767 ( 5.392 0.000 -0.211) 5.396 25.497 ( 0.975 0.000 -1.031) 1.419 25.832 ( 18.629 0.000 35.193) 39.819 26.261 ( -8.623 -0.000 0.968) 8.677 26.267 ( 1.613 0.000 5.651) 5.877 33.648 ( -9.422 -0.000 -20.646) 22.694 ======================= Grid point 133 (58/165) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -3.074 -0.000 11.229) 11.642 0.658 ( 1.314 0.000 15.984) 16.038 1.045 ( 20.558 0.000 19.234) 28.153 1.188 ( -3.721 -0.000 -4.299) 5.686 1.228 ( 7.140 0.000 -3.160) 7.808 1.312 ( 0.829 0.000 -2.164) 2.317 1.411 ( 2.358 0.000 -2.307) 3.299 1.572 ( -5.885 -0.000 -1.365) 6.042 1.638 ( 1.942 0.000 2.095) 2.856 1.651 ( -1.285 -0.000 1.530) 1.998 1.784 ( 0.847 0.000 2.771) 2.898 1.847 ( 5.380 0.000 2.270) 5.839 2.004 ( -5.953 -0.000 1.784) 6.214 2.104 ( 3.166 0.000 -0.554) 3.214 2.421 ( -14.674 -0.000 -6.751) 16.153 2.833 ( 2.958 0.000 -2.296) 3.745 3.464 ( -0.622 -0.000 -0.785) 1.002 4.716 ( 26.584 0.000 17.444) 31.796 4.792 ( -22.043 -0.000 -4.119) 22.425 5.290 ( 12.245 0.000 0.255) 12.248 5.476 ( -23.994 -0.000 -12.491) 27.051 5.562 ( -2.874 -0.000 -5.648) 6.338 5.736 ( -10.000 -0.000 -7.195) 12.320 6.079 ( -4.895 -0.000 1.547) 5.133 6.667 ( -0.403 -0.000 2.296) 2.331 7.256 ( -9.419 -0.000 -10.957) 14.449 8.289 ( 21.821 0.000 6.995) 22.914 10.679 ( -2.439 -0.000 -2.651) 3.603 11.174 ( 4.061 0.000 -0.852) 4.150 11.208 ( -1.734 -0.000 0.495) 1.803 12.055 ( -0.057 -0.000 10.270) 10.270 12.755 ( 2.294 0.000 4.072) 4.674 13.595 ( 4.089 0.000 0.340) 4.104 13.776 ( -2.753 -0.000 -2.385) 3.642 14.133 ( 10.024 0.000 -0.867) 10.062 14.323 ( -3.100 -0.000 -3.150) 4.419 14.640 ( 8.994 0.000 -1.155) 9.067 18.493 ( -3.164 -0.000 -1.154) 3.368 23.401 ( 2.701 0.000 3.343) 4.298 24.824 ( 2.530 0.000 -0.601) 2.601 25.457 ( 0.011 0.000 -0.733) 0.733 26.129 ( 2.517 0.000 -3.230) 4.095 26.210 ( -0.100 -0.000 0.595) 0.603 26.468 ( -16.878 -0.000 3.283) 17.194 33.468 ( 10.670 0.000 0.248) 10.673 ======================= Grid point 134 (59/165) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 3.581 -1.311 8.826) 9.615 0.782 ( -1.738 -6.072 13.755) 15.136 1.131 ( -4.158 -0.506 -4.262) 5.975 1.270 ( 9.040 1.369 1.469) 9.261 1.289 ( 4.069 -1.005 -3.158) 5.248 1.375 ( 2.225 -3.757 -1.671) 4.675 1.474 ( -0.878 1.028 -0.107) 1.356 1.531 ( 12.305 -1.272 3.018) 12.733 1.628 ( -3.430 0.603 1.547) 3.811 1.658 ( 0.690 -0.905 2.125) 2.411 1.818 ( 3.128 -0.752 0.598) 3.273 1.873 ( -1.621 1.736 -2.438) 3.404 1.994 ( 4.318 2.830 6.137) 8.019 2.136 ( 8.670 2.695 2.058) 9.309 2.297 ( -8.960 -5.598 -2.080) 10.768 3.037 ( 4.636 -18.751 -3.997) 19.725 3.548 ( 0.969 -9.258 -2.110) 9.545 4.480 ( -23.510 5.758 5.392) 24.798 5.062 ( 8.682 1.697 5.731) 10.541 5.152 ( -10.482 -1.358 -4.269) 11.399 5.266 ( 2.641 7.896 -1.900) 8.540 5.584 ( -4.640 -0.082 -2.384) 5.217 5.619 ( -5.788 -6.307 -4.955) 9.891 6.007 ( -6.790 1.357 -1.033) 7.001 6.722 ( 5.587 -0.899 2.165) 6.059 7.090 ( -9.628 1.270 -10.514) 14.313 8.511 ( 17.046 1.649 2.538) 17.312 10.642 ( -2.644 -0.176 -1.427) 3.010 11.055 ( -1.023 9.407 0.410) 9.471 11.302 ( 1.088 -5.777 -1.285) 6.017 12.050 ( -0.830 4.970 9.812) 11.030 12.816 ( 4.841 -0.441 3.775) 6.155 13.630 ( 2.066 0.165 -0.095) 2.074 13.713 ( -5.957 0.089 -1.958) 6.271 14.158 ( 1.445 2.697 -2.398) 3.887 14.338 ( -2.883 -5.185 -2.057) 6.279 14.773 ( 17.441 0.970 -6.299) 18.569 18.450 ( -2.984 0.521 -0.899) 3.160 23.460 ( 5.681 0.490 1.674) 5.943 24.854 ( 3.176 -0.804 -0.714) 3.353 25.389 ( -1.062 6.746 1.205) 6.935 26.098 ( 2.751 3.286 -1.881) 4.680 26.223 ( -4.765 -1.202 2.568) 5.544 26.421 ( -11.340 -11.059 1.957) 15.960 33.551 ( 8.151 2.076 -2.619) 8.809 ======================= Grid point 135 (60/165) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 6.979 -2.692 4.416) 8.686 0.911 ( -5.177 -7.720 10.860) 14.294 1.072 ( -5.078 0.202 -4.836) 7.015 1.302 ( 3.869 1.094 -1.335) 4.236 1.324 ( 0.849 -0.148 -2.443) 2.590 1.380 ( -0.291 2.045 1.001) 2.296 1.455 ( -1.691 -2.986 -1.583) 3.779 1.576 ( -3.568 0.333 1.595) 3.923 1.646 ( 2.037 0.031 1.140) 2.335 1.734 ( 2.374 0.896 -1.544) 2.971 1.803 ( 0.855 -0.186 -0.452) 0.985 1.866 ( -0.536 0.588 0.988) 1.268 2.034 ( 14.414 1.884 1.619) 14.627 2.162 ( 5.186 2.983 -1.400) 6.144 2.447 ( 7.312 -7.363 6.061) 12.017 3.393 ( -4.726 -21.430 -8.766) 23.631 3.719 ( 1.719 -11.127 -0.735) 11.283 4.226 ( -10.770 4.165 8.588) 14.391 4.836 ( -14.007 1.075 -7.469) 15.910 5.086 ( -1.459 5.767 -4.638) 7.543 5.338 ( -1.763 1.696 4.819) 5.404 5.459 ( -2.810 -0.317 -4.059) 4.947 5.790 ( 7.927 -5.187 8.375) 12.644 5.908 ( -3.584 0.066 -2.963) 4.651 6.723 ( -2.924 4.758 -1.996) 5.931 7.024 ( 2.284 -3.323 -3.219) 5.160 8.609 ( 7.098 1.933 -1.751) 7.562 10.624 ( -1.843 -1.042 -0.373) 2.149 10.879 ( -1.844 9.859 0.573) 10.047 11.404 ( 1.268 -6.131 -2.174) 6.627 11.962 ( -1.139 8.662 8.631) 12.281 12.881 ( 5.688 1.410 2.496) 6.370 13.626 ( -1.338 0.090 -0.506) 1.433 13.649 ( -4.873 -0.156 -3.304) 5.890 14.110 ( -1.518 1.676 0.048) 2.262 14.378 ( -2.240 -3.309 1.013) 4.122 14.876 ( 10.302 0.735 -10.053) 14.413 18.414 ( -1.505 0.638 0.222) 1.650 23.506 ( 4.323 1.033 1.182) 4.599 24.918 ( 4.184 -2.589 -1.412) 5.119 25.249 ( -1.388 8.785 0.800) 8.930 26.072 ( -0.014 0.759 -3.862) 3.936 26.217 ( -4.419 -2.746 7.257) 8.929 26.520 ( -2.815 -8.209 -0.881) 8.723 33.559 ( 3.428 2.493 -2.646) 4.997 ======================= Grid point 136 (61/165) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 6.913 -2.580 1.683) 7.568 0.922 ( -12.088 2.789 -0.095) 12.406 1.035 ( -1.653 -5.003 1.701) 5.536 1.279 ( 0.227 3.295 -1.726) 3.727 1.328 ( 1.236 -0.661 -0.651) 1.546 1.402 ( 6.684 0.291 4.253) 7.928 1.476 ( -1.978 -2.845 -1.784) 3.897 1.571 ( -0.142 -0.304 2.666) 2.687 1.647 ( -1.854 1.580 0.654) 2.522 1.681 ( -2.078 -0.385 -2.101) 2.980 1.818 ( -0.674 1.707 -1.919) 2.655 1.860 ( 1.513 -0.923 3.016) 3.499 2.131 ( 3.231 1.635 -0.145) 3.624 2.235 ( 12.527 -1.310 -0.113) 12.596 2.576 ( -1.308 -1.079 -2.017) 2.635 3.440 ( -14.627 -5.425 -5.589) 16.571 3.943 ( 1.495 -7.031 2.841) 7.729 4.250 ( 5.797 -8.460 0.341) 10.261 4.755 ( 2.810 -0.332 0.885) 2.965 4.994 ( -2.327 1.574 -1.357) 3.120 5.242 ( -1.046 3.964 -4.015) 5.738 5.397 ( -12.351 -1.967 -5.170) 13.533 5.823 ( 0.365 0.126 1.884) 1.923 6.048 ( 7.456 -1.188 7.970) 10.978 6.604 ( 1.354 3.728 0.258) 3.975 7.129 ( 2.957 -4.464 -0.154) 5.356 8.590 ( -2.201 1.308 -5.788) 6.329 10.640 ( -0.575 -2.582 0.490) 2.691 10.721 ( -0.889 7.290 1.301) 7.458 11.509 ( 1.457 -5.734 -2.933) 6.603 11.825 ( -1.031 9.757 6.629) 11.841 12.901 ( 4.692 3.897 1.157) 6.208 13.564 ( -5.985 0.579 -5.496) 8.146 13.628 ( 0.278 -0.746 0.828) 1.149 14.078 ( -0.734 1.335 1.052) 1.852 14.419 ( -2.232 -3.505 3.682) 5.552 14.889 ( 2.643 0.251 -11.437) 11.741 18.404 ( 0.425 0.227 1.562) 1.635 23.531 ( 2.260 0.672 1.247) 2.667 25.001 ( 3.954 -1.178 -1.811) 4.505 25.095 ( -0.936 6.452 -1.065) 6.606 26.036 ( -4.460 -1.781 -5.445) 7.260 26.278 ( 0.171 -2.405 9.698) 9.994 26.604 ( 1.410 -3.372 -1.611) 3.994 33.534 ( 0.432 1.522 -2.344) 2.828 ======================= Grid point 137 (62/165) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -12.194 7.532 -1.244) 14.387 0.908 ( 6.590 -2.161 0.563) 6.958 1.098 ( 0.547 -2.863 -0.912) 3.054 1.216 ( 1.430 4.524 -0.491) 4.771 1.369 ( 1.577 -2.100 -0.314) 2.645 1.471 ( 0.045 -1.036 0.377) 1.104 1.539 ( 4.095 -3.127 3.661) 6.321 1.573 ( -1.344 0.270 0.182) 1.383 1.586 ( 0.080 3.278 1.262) 3.513 1.680 ( -3.442 -2.178 -0.179) 4.077 1.779 ( -1.424 0.230 -1.930) 2.409 1.903 ( 2.971 0.050 2.441) 3.845 2.125 ( 0.988 1.649 -0.172) 1.930 2.281 ( -14.224 -2.115 -2.560) 14.607 2.495 ( 0.544 4.334 -1.650) 4.669 3.372 ( -3.991 -2.309 -1.905) 4.989 3.996 ( 6.210 4.441 2.655) 8.083 4.484 ( 6.861 -7.532 -2.957) 10.608 4.835 ( 2.808 -0.178 1.273) 3.088 4.926 ( -2.844 3.642 -5.928) 7.516 5.182 ( 1.563 -1.307 -2.165) 2.973 5.326 ( 1.254 -1.281 -2.699) 3.240 5.871 ( 2.456 -1.598 2.410) 3.794 6.054 ( -3.989 2.746 7.693) 9.090 6.679 ( 9.763 -1.666 4.373) 10.827 7.205 ( -1.642 -4.359 -0.510) 4.686 8.487 ( -9.242 0.052 -7.668) 12.009 10.641 ( 0.840 3.022 2.126) 3.789 10.706 ( 0.775 -4.659 0.648) 4.767 11.561 ( 3.279 3.705 -2.220) 5.423 11.719 ( -2.089 0.798 3.102) 3.824 12.862 ( 3.051 5.936 0.476) 6.691 13.483 ( -3.201 -0.025 -5.211) 6.115 13.662 ( 1.525 -0.949 3.048) 3.538 14.052 ( -0.534 1.003 -1.137) 1.607 14.474 ( -3.028 -4.083 5.306) 7.348 14.843 ( -2.116 -0.452 -11.799) 11.996 18.427 ( 1.851 -0.421 2.302) 2.984 23.542 ( 0.146 0.199 1.266) 1.290 24.907 ( 1.001 8.809 -2.191) 9.133 25.130 ( 1.632 -5.237 -1.842) 5.786 26.001 ( -4.929 -3.020 -5.880) 8.245 26.356 ( -0.659 -1.839 9.862) 10.054 26.650 ( 5.774 1.542 -1.266) 6.109 33.503 ( -1.585 0.401 -2.375) 2.884 ======================= Grid point 138 (63/165) ======================= q-point: (-0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( -10.025 8.495 0.263) 13.143 0.973 ( 1.066 0.616 -1.395) 1.861 1.153 ( 4.000 2.073 -2.339) 5.076 1.170 ( 4.857 0.985 1.665) 5.228 1.380 ( -0.665 0.685 -2.237) 2.432 1.483 ( -2.286 4.073 3.496) 5.834 1.520 ( -1.182 -1.415 0.431) 1.894 1.524 ( -8.112 -1.322 -4.960) 9.600 1.630 ( 0.099 1.971 1.383) 2.410 1.677 ( -2.024 -2.758 -0.393) 3.443 1.765 ( -1.307 -0.887 -0.953) 1.845 1.927 ( 0.035 1.282 2.513) 2.821 2.015 ( -14.845 0.433 -0.092) 14.852 2.170 ( -5.323 -1.914 1.137) 5.770 2.460 ( 4.124 3.419 3.353) 6.320 3.434 ( 7.191 -2.324 -0.735) 7.593 3.912 ( 6.264 16.687 -0.259) 17.826 4.525 ( -5.945 1.617 -7.064) 9.373 4.734 ( 2.579 5.289 -0.975) 5.965 4.933 ( 6.159 -0.391 -0.245) 6.176 5.258 ( 1.708 -7.892 -10.344) 13.122 5.472 ( 15.568 -1.544 6.972) 17.128 5.883 ( -1.252 0.373 0.318) 1.345 6.070 ( 0.298 -2.102 9.207) 9.449 6.795 ( 1.355 -1.168 4.273) 4.633 7.261 ( -1.021 -5.704 -2.461) 6.296 8.341 ( -13.864 -0.938 -7.042) 15.578 10.643 ( 1.679 -0.137 2.038) 2.644 10.810 ( 1.398 -6.130 -0.173) 6.290 11.459 ( 4.225 9.737 -1.732) 10.754 11.769 ( -1.910 -5.971 1.620) 6.475 12.792 ( 2.938 6.310 1.695) 7.164 13.463 ( 0.914 -0.902 -3.114) 3.368 13.709 ( 1.885 -0.959 2.496) 3.272 14.030 ( -1.039 -0.256 -1.726) 2.031 14.518 ( -3.853 -2.587 4.950) 6.785 14.770 ( -5.413 -1.434 -11.599) 12.880 18.469 ( 2.039 -0.903 2.032) 3.017 23.532 ( -2.551 0.312 0.999) 2.757 24.789 ( 2.505 6.144 -2.158) 6.977 25.223 ( 0.088 -5.553 -1.188) 5.679 25.988 ( -3.160 -3.521 -5.602) 7.333 26.388 ( -4.267 -0.588 7.717) 8.838 26.675 ( 10.644 5.392 0.210) 11.934 33.465 ( -3.408 -0.128 -2.546) 4.256 ======================= Grid point 139 (64/165) ======================= q-point: (-0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.268 ( -5.083 0.597 8.869) 10.240 0.851 ( -12.528 6.301 0.533) 14.033 1.134 ( 7.326 3.584 -1.602) 8.312 1.237 ( -2.182 1.472 -1.565) 3.062 1.278 ( -11.636 5.741 3.205) 13.365 1.374 ( 3.049 0.114 -0.695) 3.129 1.423 ( 0.595 4.264 -0.811) 4.381 1.551 ( -3.487 -0.515 0.606) 3.576 1.609 ( -0.595 -2.971 -0.271) 3.042 1.671 ( -0.151 1.370 0.287) 1.408 1.755 ( -3.062 -0.556 0.027) 3.112 1.881 ( -3.911 1.023 3.449) 5.314 1.986 ( -1.161 -3.656 0.492) 3.868 2.138 ( -10.719 -3.363 1.600) 11.347 2.507 ( 10.465 3.210 2.335) 11.193 3.445 ( -0.757 11.788 -11.867) 16.744 3.647 ( 3.002 12.649 4.739) 13.837 4.403 ( 0.304 4.634 1.030) 4.757 4.745 ( 11.200 1.986 2.230) 11.591 5.028 ( 6.940 -2.045 -2.945) 7.811 5.396 ( 5.352 -8.678 -9.210) 13.739 5.650 ( 4.126 -3.519 0.542) 5.450 5.898 ( 3.349 -0.448 0.677) 3.446 6.130 ( 0.002 0.020 6.761) 6.761 6.777 ( -7.079 0.365 3.780) 8.033 7.342 ( -0.047 -5.629 -6.119) 8.314 8.178 ( -13.360 -0.141 -3.488) 13.808 10.679 ( 1.326 -1.193 0.596) 1.880 10.925 ( 1.045 -6.465 -1.077) 6.637 11.351 ( 4.415 7.650 -2.260) 9.117 11.866 ( -0.750 -5.757 4.941) 7.623 12.744 ( 3.611 4.834 3.528) 6.990 13.495 ( 3.524 -0.985 -1.679) 4.026 13.751 ( 1.964 -0.924 0.332) 2.196 14.028 ( -1.019 -1.017 0.624) 1.570 14.504 ( -2.698 2.203 2.507) 4.291 14.685 ( -9.107 -3.156 -10.125) 13.979 18.508 ( 0.773 -0.959 0.906) 1.529 23.481 ( -5.258 1.227 0.823) 5.462 24.752 ( 4.272 1.907 -1.124) 4.811 25.307 ( -0.925 -5.789 -0.001) 5.863 26.007 ( -0.441 -3.651 -4.468) 5.786 26.350 ( -5.548 1.502 4.325) 7.193 26.693 ( 11.061 7.228 0.531) 13.224 33.414 ( -3.956 0.344 -1.579) 4.273 ======================= Grid point 140 (65/165) ======================= q-point: (-0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 0.519 -7.972 14.984) 16.981 0.637 ( -6.119 5.049 11.647) 14.092 0.993 ( -6.571 11.533 15.525) 20.425 1.172 ( 8.801 1.831 -3.250) 9.559 1.238 ( -1.852 0.202 -4.188) 4.584 1.344 ( 1.301 3.662 -1.701) 4.242 1.419 ( 0.110 -0.015 -2.268) 2.271 1.568 ( 2.527 -2.158 2.101) 3.932 1.627 ( -2.109 -0.064 -0.586) 2.190 1.657 ( -0.338 0.323 1.535) 1.605 1.753 ( 0.792 -0.903 1.459) 1.890 1.837 ( -3.293 0.693 2.487) 4.184 2.043 ( 0.310 -1.549 0.608) 1.693 2.083 ( -8.113 -2.996 -0.352) 8.656 2.536 ( 0.255 1.440 -1.477) 2.078 3.046 ( -6.643 17.179 -11.404) 21.664 3.548 ( 0.572 7.857 1.641) 8.047 4.442 ( 15.327 2.816 11.597) 19.425 4.893 ( -0.464 -6.636 -1.278) 6.774 5.112 ( 12.270 -0.585 -4.083) 12.945 5.545 ( 3.938 -5.561 -6.663) 9.530 5.660 ( -9.099 -3.199 -7.689) 12.335 5.900 ( -4.437 2.308 -3.783) 6.271 6.117 ( -4.321 0.536 3.687) 5.706 6.705 ( -6.337 0.662 2.781) 6.952 7.356 ( -4.806 -2.572 -9.412) 10.876 8.103 ( 3.811 0.651 5.583) 6.791 10.700 ( -0.348 -0.754 -2.077) 2.237 11.046 ( 1.591 -7.202 -0.161) 7.377 11.279 ( 3.004 5.593 -1.224) 6.466 11.976 ( 0.286 -4.048 8.779) 9.672 12.734 ( 2.496 2.265 3.867) 5.130 13.546 ( 4.554 -0.422 -0.581) 4.611 13.781 ( 1.538 -0.591 -1.302) 2.100 14.048 ( 3.008 0.121 2.855) 4.149 14.413 ( -1.253 5.625 -1.749) 6.022 14.618 ( -6.475 -3.071 -4.433) 8.427 18.518 ( -1.497 -0.584 -0.444) 1.667 23.407 ( -4.025 1.413 2.540) 4.965 24.788 ( 3.900 -0.586 -0.662) 3.999 25.400 ( -0.349 -5.948 0.088) 5.959 26.063 ( 1.981 -3.976 -3.021) 5.372 26.271 ( -3.808 3.123 1.517) 5.153 26.640 ( 0.192 7.401 -1.046) 7.477 33.387 ( 2.091 0.429 1.717) 2.739 ======================= Grid point 142 (66/165) ======================= q-point: ( 0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 1.946 0.000 7.273) 7.529 0.789 ( 0.699 0.000 13.521) 13.539 1.060 ( -4.796 -0.000 -4.430) 6.530 1.278 ( -1.594 -0.000 -4.511) 4.785 1.302 ( 0.851 0.000 -2.216) 2.374 1.401 ( 5.550 0.000 -0.858) 5.616 1.443 ( -0.655 -0.000 1.498) 1.636 1.593 ( -5.340 -0.000 1.833) 5.646 1.635 ( -1.461 -0.000 2.389) 2.800 1.727 ( 10.994 0.000 -0.300) 10.998 1.810 ( -2.930 -0.000 -3.308) 4.419 1.906 ( 5.995 0.000 1.091) 6.094 2.119 ( -8.218 -0.000 -0.964) 8.274 2.173 ( 13.819 0.000 1.032) 13.858 2.306 ( 16.216 0.000 7.487) 17.861 2.900 ( 2.601 0.000 -2.921) 3.911 3.493 ( 4.700 0.000 -1.424) 4.911 4.321 ( -19.584 -0.000 9.957) 21.970 4.857 ( -16.843 -0.000 -9.506) 19.341 5.233 ( -2.373 -0.000 -4.768) 5.326 5.377 ( -3.014 -0.000 3.195) 4.393 5.463 ( -9.458 -0.000 -7.856) 12.295 5.628 ( 21.618 0.000 14.311) 25.925 5.925 ( -9.103 -0.000 -3.775) 9.854 6.804 ( 7.922 0.000 1.719) 8.106 6.955 ( -9.051 -0.000 -7.462) 11.730 8.653 ( 6.724 0.000 -2.229) 7.084 10.607 ( -2.422 -0.000 -1.153) 2.683 11.140 ( -4.591 -0.000 0.558) 4.625 11.238 ( 2.370 0.000 -0.880) 2.528 12.118 ( -1.740 -0.000 9.370) 9.530 12.912 ( 9.783 0.000 3.688) 10.455 13.630 ( -2.180 -0.000 -1.142) 2.461 13.640 ( -5.574 -0.000 -1.281) 5.719 14.212 ( -3.660 -0.000 -2.509) 4.437 14.223 ( 2.404 0.000 -3.968) 4.639 14.900 ( 9.487 0.000 -9.219) 13.228 18.427 ( -1.662 -0.000 -0.496) 1.735 23.547 ( 7.786 0.000 -1.105) 7.864 24.876 ( 3.174 0.000 -0.632) 3.236 25.449 ( -0.778 -0.000 1.120) 1.363 26.039 ( -14.429 -0.000 0.198) 14.431 26.208 ( -4.144 -0.000 9.489) 10.355 26.302 ( 8.450 0.000 -1.151) 8.528 33.620 ( 4.057 0.000 -5.485) 6.823 ======================= Grid point 143 (67/165) ======================= q-point: ( 0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 4.840 -4.485 4.414) 7.938 0.860 ( 1.356 -0.639 11.779) 11.874 0.997 ( -4.692 -0.743 -5.210) 7.051 1.254 ( -4.032 -2.814 -3.767) 6.195 1.306 ( 0.408 -0.791 -2.963) 3.094 1.438 ( 2.099 0.405 -0.648) 2.234 1.468 ( 3.629 2.546 4.615) 6.399 1.553 ( -1.137 -0.980 1.840) 2.374 1.641 ( -1.479 -1.024 3.004) 3.501 1.684 ( -7.817 0.204 -5.093) 9.331 1.849 ( 5.428 0.298 0.591) 5.468 1.909 ( 0.760 3.592 -0.580) 3.717 2.096 ( -1.492 -3.201 2.311) 4.221 2.246 ( 3.580 1.141 -3.784) 5.332 2.545 ( 17.797 -0.339 2.871) 18.030 3.027 ( -1.178 -13.602 -6.200) 14.995 3.606 ( 6.275 -6.642 -1.447) 9.252 4.196 ( -8.300 0.741 9.098) 12.338 4.739 ( -0.134 -0.367 -2.202) 2.237 5.091 ( -9.887 2.198 -7.230) 12.445 5.292 ( -9.743 0.354 2.416) 10.044 5.395 ( -1.527 1.382 -3.975) 4.477 5.807 ( -8.947 -1.538 -5.048) 10.387 5.970 ( 21.962 -1.641 14.057) 26.127 6.774 ( -2.420 5.550 -0.898) 6.121 6.957 ( 0.747 -5.559 -0.505) 5.631 8.644 ( -2.720 1.302 -5.360) 6.150 10.586 ( -1.771 -0.724 -0.672) 2.028 11.008 ( -3.989 7.987 0.893) 8.972 11.308 ( 0.196 -5.286 -1.205) 5.425 12.091 ( -2.397 4.735 7.889) 9.508 13.021 ( 11.248 2.489 2.037) 11.699 13.574 ( -6.471 0.045 -3.763) 7.486 13.605 ( -0.671 -0.434 0.628) 1.016 14.134 ( -0.606 2.678 -0.655) 2.823 14.285 ( -1.184 -4.702 -2.152) 5.305 14.901 ( -0.096 0.356 -10.205) 10.212 18.414 ( -0.362 0.220 0.513) 0.665 23.595 ( 5.850 2.184 -1.213) 6.361 24.921 ( 3.892 -1.375 -1.292) 4.325 25.381 ( -0.748 7.110 1.667) 7.341 25.927 ( -13.591 -4.262 -0.443) 14.250 26.222 ( 0.480 -0.201 8.129) 8.145 26.442 ( 8.424 -4.650 -1.028) 9.677 33.603 ( 0.405 1.781 -4.723) 5.064 ======================= Grid point 144 (68/165) ======================= q-point: ( 0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 5.166 -2.503 0.495) 5.762 0.923 ( 0.174 3.459 3.694) 5.064 0.951 ( -0.046 -4.135 1.398) 4.365 1.256 ( -2.574 -3.737 -3.210) 5.558 1.298 ( -1.071 -0.053 -2.986) 3.173 1.421 ( -2.962 -0.105 -1.376) 3.268 1.478 ( 0.304 -0.758 2.742) 2.861 1.584 ( -4.403 0.515 -1.679) 4.741 1.612 ( -1.181 -1.998 1.110) 2.572 1.672 ( 4.096 -0.025 4.073) 5.776 1.818 ( -2.426 3.258 0.835) 4.147 1.916 ( 5.174 0.733 -0.651) 5.266 2.140 ( -2.597 -2.017 3.155) 4.557 2.215 ( -5.365 -0.351 -3.253) 6.285 2.627 ( 2.199 3.225 -2.561) 4.668 3.187 ( -1.576 -10.756 -8.390) 13.732 3.832 ( 7.587 -11.451 0.437) 13.743 4.229 ( 8.216 -2.482 3.825) 9.396 4.829 ( 9.959 -1.379 1.867) 10.226 4.935 ( -10.430 -0.450 -6.485) 12.290 5.227 ( -9.548 -0.446 -1.639) 9.698 5.332 ( 7.035 3.916 1.892) 8.271 5.769 ( -4.068 -4.204 -1.741) 6.103 6.182 ( 7.387 3.001 8.482) 11.641 6.698 ( 3.915 2.961 3.317) 5.924 7.038 ( -3.675 -5.521 0.054) 6.632 8.527 ( -9.019 1.764 -6.934) 11.512 10.592 ( -0.930 -2.041 -0.150) 2.247 10.838 ( -3.081 7.923 1.538) 8.639 11.398 ( -0.550 -6.599 -1.687) 6.833 11.984 ( -2.535 8.022 5.172) 9.876 13.071 ( 10.254 5.778 -0.236) 11.773 13.482 ( -6.096 -0.080 -4.938) 7.846 13.635 ( 2.664 -0.418 2.820) 3.902 14.099 ( -0.347 1.585 0.570) 1.720 14.331 ( -2.778 -4.121 0.333) 4.981 14.830 ( -5.102 -0.833 -10.180) 11.417 18.418 ( 0.605 -0.141 1.525) 1.646 23.599 ( 3.591 2.803 -0.022) 4.555 24.988 ( 3.382 -2.698 -1.943) 4.743 25.237 ( -0.304 9.718 0.216) 9.725 25.871 ( -10.178 -4.719 -2.504) 11.496 26.280 ( -0.173 -1.939 8.553) 8.772 26.600 ( 8.974 -3.747 -1.792) 9.889 33.549 ( -1.138 1.938 -3.201) 3.911 ======================= Grid point 145 (69/165) ======================= q-point: (-0.50 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -0.067 8.008 -3.870) 8.895 0.961 ( 6.237 -0.760 2.075) 6.617 1.064 ( 5.088 -3.773 1.442) 6.497 1.247 ( -1.952 0.023 -5.085) 5.446 1.328 ( 0.854 -4.003 1.855) 4.494 1.390 ( -5.220 -2.918 -2.674) 6.551 1.504 ( -5.223 0.946 -1.701) 5.573 1.522 ( -2.244 -4.017 -1.349) 4.795 1.615 ( -2.161 0.410 2.583) 3.392 1.735 ( 0.407 -0.666 0.840) 1.146 1.753 ( 2.466 4.253 4.174) 6.449 1.943 ( 1.590 0.427 -1.016) 1.935 2.079 ( -13.140 1.688 0.676) 13.265 2.134 ( -7.757 -0.017 0.720) 7.791 2.552 ( -0.947 2.240 -0.206) 2.441 3.318 ( 8.177 -5.901 -7.218) 12.401 4.089 ( 10.387 -6.426 2.362) 12.441 4.456 ( 12.928 -5.911 2.068) 14.365 4.765 ( -10.824 -0.504 -6.956) 12.876 4.982 ( 9.590 1.012 -2.546) 9.973 5.104 ( -5.413 0.131 -6.350) 8.345 5.444 ( 11.391 0.117 7.335) 13.549 5.841 ( 2.765 -5.242 -0.369) 5.938 6.113 ( -5.284 6.484 6.632) 10.675 6.773 ( 6.330 -0.372 5.031) 8.094 7.063 ( -7.422 -5.502 -0.687) 9.264 8.359 ( -11.448 1.700 -5.737) 12.918 10.635 ( -0.278 -3.908 0.024) 3.918 10.715 ( -1.308 4.722 2.015) 5.298 11.500 ( -0.853 -7.399 -1.544) 7.606 11.827 ( -2.178 9.357 1.336) 9.699 13.045 ( 7.745 8.263 -1.417) 11.414 13.435 ( -0.975 -0.855 -2.557) 2.868 13.681 ( 1.771 -0.405 3.553) 3.990 14.063 ( -0.770 1.832 -0.937) 2.197 14.370 ( -4.101 -4.338 2.241) 6.376 14.757 ( -4.421 -1.498 -8.810) 9.970 18.441 ( 0.859 -0.754 1.775) 2.111 23.583 ( 1.616 2.645 0.905) 3.229 25.061 ( 1.883 -3.699 -2.267) 4.729 25.070 ( 0.346 9.774 -1.567) 9.904 25.849 ( -6.466 -4.593 -2.756) 8.396 26.336 ( -2.682 -2.091 8.187) 8.865 26.733 ( 9.587 -1.505 -2.658) 10.062 33.495 ( -1.587 1.623 -1.969) 3.005 ======================= Grid point 146 (70/165) ======================= q-point: (-0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 3.076 12.098 -4.743) 13.354 1.004 ( 1.378 2.612 0.139) 2.956 1.179 ( 5.601 -1.758 -0.907) 5.940 1.220 ( -0.652 -0.577 -3.077) 3.198 1.317 ( -6.995 -0.476 -1.960) 7.280 1.403 ( -4.486 -2.087 -3.405) 6.006 1.464 ( 0.759 -3.373 1.026) 3.607 1.544 ( -1.076 1.607 0.781) 2.086 1.604 ( -1.939 -1.392 1.050) 2.608 1.705 ( -2.173 0.552 0.351) 2.269 1.756 ( 2.394 2.829 3.669) 5.215 1.869 ( -12.152 0.156 0.375) 12.159 1.946 ( -3.331 1.187 2.165) 4.146 2.071 ( -6.613 -0.563 3.252) 7.391 2.560 ( 3.590 0.048 -0.440) 3.617 3.496 ( 14.114 -3.383 -3.812) 15.006 4.195 ( 5.095 8.772 -1.425) 10.244 4.543 ( 5.262 3.151 2.333) 6.562 4.736 ( -6.700 -4.538 0.478) 8.106 5.011 ( 7.363 1.571 -6.072) 9.672 5.130 ( 9.662 -4.943 -7.697) 13.306 5.542 ( -1.856 -2.262 -0.170) 2.931 5.896 ( 1.027 1.888 0.460) 2.198 6.086 ( 2.101 -2.944 7.122) 7.988 6.809 ( -3.134 1.028 5.089) 6.064 7.096 ( -4.353 -7.642 -3.676) 9.532 8.205 ( -8.391 1.723 -1.560) 8.707 10.668 ( -0.244 1.121 2.477) 2.730 10.713 ( -0.200 -5.680 -1.259) 5.821 11.609 ( 1.538 -4.866 -0.963) 5.194 11.657 ( -3.463 6.024 -0.938) 7.011 12.968 ( 4.594 8.379 0.314) 9.561 13.459 ( 3.089 -1.079 -0.861) 3.383 13.716 ( 0.870 -1.014 1.937) 2.353 14.032 ( 0.480 0.995 0.072) 1.107 14.398 ( -5.814 -4.161 2.318) 7.516 14.711 ( -0.766 0.153 -7.132) 7.175 18.470 ( 0.047 -1.213 1.092) 1.633 23.550 ( -0.647 2.829 1.468) 3.252 24.925 ( 2.256 8.011 -2.440) 8.673 25.130 ( -0.403 -4.768 -1.992) 5.183 25.865 ( -2.657 -4.446 -2.018) 5.559 26.354 ( -4.601 -1.064 6.830) 8.304 26.824 ( 8.459 0.733 -3.757) 9.285 33.447 ( -1.315 1.553 -0.816) 2.192 ======================= Grid point 147 (71/165) ======================= q-point: (-0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 6.262 9.809 -0.965) 11.677 0.873 ( -5.833 7.852 4.620) 10.818 1.199 ( 3.864 -0.215 -3.008) 4.902 1.222 ( -0.778 -0.627 -4.165) 4.283 1.322 ( 0.634 3.376 4.153) 5.389 1.369 ( -1.445 -1.270 -2.554) 3.198 1.497 ( 1.190 1.666 4.115) 4.596 1.542 ( -0.397 -0.726 -0.976) 1.279 1.562 ( -0.803 0.417 -0.177) 0.922 1.682 ( -1.423 0.310 -0.162) 1.466 1.759 ( 2.322 2.264 3.968) 5.124 1.845 ( -2.439 -3.537 3.002) 5.242 1.915 ( -3.270 -1.453 2.656) 4.457 2.026 ( -5.762 -0.694 1.120) 5.911 2.569 ( -1.589 0.167 -3.444) 3.797 3.637 ( 13.768 5.544 -5.599) 15.863 3.928 ( -1.137 19.138 -1.875) 19.263 4.584 ( 3.740 3.489 7.100) 8.750 4.709 ( -3.012 -2.271 3.059) 4.857 5.064 ( 4.600 -2.974 -8.394) 10.024 5.349 ( 17.054 -4.533 -3.477) 17.985 5.497 ( -12.224 -5.286 -8.071) 15.572 5.890 ( -3.393 -1.276 0.269) 3.635 6.145 ( -3.024 -0.247 1.949) 3.606 6.751 ( -5.438 1.772 5.219) 7.743 7.166 ( -4.092 -8.048 -8.182) 12.184 8.146 ( 3.329 1.827 4.522) 5.905 10.672 ( -0.369 -0.501 1.210) 1.361 10.805 ( -1.126 -7.011 -1.935) 7.360 11.500 ( 1.502 7.918 -3.647) 8.846 11.749 ( -1.286 -8.761 4.256) 9.824 12.876 ( 0.561 6.274 1.937) 6.590 13.519 ( 5.002 -1.111 -0.369) 5.137 13.750 ( 0.974 -1.178 0.189) 1.540 14.051 ( 3.395 -0.084 2.831) 4.422 14.409 ( -5.781 -3.772 2.865) 7.474 14.666 ( 3.038 3.367 -7.289) 8.585 18.485 ( -1.654 -1.288 -0.052) 2.097 23.489 ( -2.283 3.274 2.035) 4.480 24.846 ( 4.288 4.613 -2.112) 6.643 25.196 ( -1.867 -5.724 -0.918) 6.090 25.920 ( 0.622 -4.238 -1.001) 4.399 26.332 ( -4.656 0.491 4.708) 6.639 26.840 ( 3.248 3.252 -5.580) 7.229 33.417 ( 0.877 1.370 0.723) 1.780 ======================= Grid point 148 (72/165) ======================= q-point: (-0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 7.963 0.649 9.189) 12.176 0.805 ( 7.099 5.643 11.607) 14.729 1.179 ( -0.072 2.631 -0.741) 2.735 1.217 ( -0.440 4.227 2.124) 4.751 1.262 ( 6.010 1.394 -1.623) 6.380 1.391 ( 3.226 -0.731 -1.347) 3.571 1.450 ( 0.793 5.114 0.256) 5.181 1.546 ( -3.718 -1.097 0.681) 3.936 1.607 ( 3.635 -2.256 0.097) 4.280 1.656 ( -2.292 0.254 0.492) 2.358 1.810 ( 6.832 0.571 4.476) 8.188 1.835 ( -1.688 1.112 1.891) 2.768 1.960 ( -5.266 -3.040 2.256) 6.485 2.014 ( 2.114 -3.367 0.067) 3.976 2.479 ( -8.379 2.419 -4.297) 9.722 3.397 ( 6.348 26.275 -9.265) 28.575 3.724 ( 1.552 10.283 -0.130) 10.401 4.559 ( -16.501 -7.344 4.141) 18.530 4.830 ( 18.149 2.639 11.849) 21.835 5.131 ( 2.927 -4.881 -6.112) 8.351 5.386 ( -17.916 -4.567 -12.498) 22.317 5.551 ( 8.977 -2.676 -1.692) 9.519 5.810 ( -10.689 1.597 -5.052) 11.930 6.069 ( -8.199 0.362 1.026) 8.270 6.706 ( -0.645 1.607 3.747) 4.128 7.177 ( -7.306 -4.954 -11.014) 14.115 8.272 ( 17.455 -0.237 7.140) 18.860 10.671 ( -1.745 -0.343 -0.732) 1.923 10.913 ( -1.135 -8.595 -0.756) 8.702 11.390 ( 1.797 6.155 -2.599) 6.919 11.907 ( -0.483 -8.074 8.050) 11.412 12.807 ( 0.100 3.105 2.905) 4.253 13.586 ( 4.693 -0.652 -0.134) 4.740 13.760 ( -2.378 -0.730 -1.226) 2.773 14.110 ( 3.682 -0.606 1.478) 4.014 14.422 ( -3.970 -0.707 3.260) 5.185 14.638 ( 11.817 3.116 -7.474) 14.325 18.476 ( -3.150 -0.973 -0.828) 3.400 23.433 ( -0.058 2.204 2.862) 3.613 24.837 ( 4.521 1.786 -1.315) 5.036 25.280 ( -1.866 -7.107 0.680) 7.379 26.005 ( 2.839 -3.999 -0.480) 4.928 26.283 ( -3.533 1.811 2.459) 4.670 26.710 ( -7.124 7.888 -5.479) 11.958 33.446 ( 6.040 -0.450 1.199) 6.175 ======================= Grid point 151 (73/165) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 8.426 0.000 5.944) 10.311 0.907 ( -4.366 -0.000 -6.861) 8.133 0.954 ( 5.822 0.000 9.716) 11.327 1.184 ( -2.491 -0.000 -2.442) 3.488 1.285 ( -0.367 -0.000 -3.299) 3.319 1.434 ( -3.951 -0.000 0.428) 3.975 1.467 ( -9.716 -0.000 -3.665) 10.384 1.565 ( 0.420 0.000 1.388) 1.450 1.598 ( -2.916 -0.000 -0.725) 3.005 1.655 ( 4.576 0.000 5.159) 6.896 1.907 ( 3.004 0.000 -0.183) 3.010 1.954 ( 0.421 0.000 -2.034) 2.077 2.052 ( 0.266 0.000 6.150) 6.156 2.223 ( -4.521 -0.000 -3.618) 5.791 2.689 ( 4.828 0.000 -2.665) 5.514 2.895 ( 1.621 0.000 -5.679) 5.906 3.621 ( 8.316 0.000 -2.705) 8.745 4.214 ( 7.072 0.000 6.092) 9.334 4.790 ( 9.631 0.000 0.162) 9.632 4.920 ( -14.391 -0.000 -11.112) 18.182 5.226 ( -5.853 -0.000 7.076) 9.184 5.433 ( 3.248 0.000 2.610) 4.166 5.659 ( -9.463 -0.000 -5.705) 11.050 6.230 ( 17.076 0.000 10.812) 20.211 6.828 ( -0.701 -0.000 2.124) 2.237 6.871 ( -3.829 -0.000 0.231) 3.836 8.563 ( -9.243 -0.000 -6.629) 11.375 10.562 ( -1.152 -0.000 -0.520) 1.264 11.025 ( -6.750 -0.000 0.849) 6.804 11.253 ( -0.423 -0.000 -0.737) 0.850 12.126 ( -3.770 -0.000 5.980) 7.070 13.176 ( 12.486 0.000 -0.936) 12.521 13.479 ( -7.921 -0.000 -4.172) 8.952 13.635 ( 5.586 0.000 2.779) 6.239 14.162 ( -0.756 -0.000 -0.026) 0.756 14.213 ( -0.123 -0.000 -2.861) 2.863 14.812 ( -8.953 -0.000 -8.484) 12.334 18.416 ( -0.024 -0.000 0.929) 0.929 23.663 ( 4.333 0.000 -2.177) 4.850 24.943 ( 3.562 0.000 -2.212) 4.193 25.449 ( -0.309 -0.000 1.874) 1.899 25.748 ( -12.141 -0.000 1.805) 12.275 26.252 ( -0.279 -0.000 7.504) 7.509 26.509 ( 11.301 0.000 -1.897) 11.460 33.590 ( -1.550 -0.000 -4.466) 4.728 ======================= Grid point 152 (74/165) ======================= q-point: ( 0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 0.762 -4.440 -1.365) 4.707 0.875 ( 6.796 0.667 -0.450) 6.844 1.051 ( 6.819 1.143 7.152) 9.948 1.161 ( -2.376 -2.027 -2.716) 4.139 1.252 ( -3.438 -0.055 -3.998) 5.273 1.357 ( -9.685 -2.676 -1.464) 10.154 1.395 ( -3.346 -0.848 0.400) 3.475 1.535 ( -5.518 0.094 0.319) 5.528 1.603 ( 0.717 -0.392 2.045) 2.202 1.722 ( 3.001 0.070 0.951) 3.149 1.870 ( -1.975 2.261 -0.485) 3.041 1.960 ( 1.586 0.357 -2.022) 2.595 2.099 ( -1.457 0.069 5.421) 5.614 2.157 ( -5.091 0.654 0.350) 5.144 2.621 ( -7.726 1.837 -4.921) 9.342 3.001 ( 5.988 -10.240 -5.845) 13.224 3.759 ( 8.955 -7.088 -2.892) 11.781 4.381 ( 19.292 0.160 1.740) 19.371 4.742 ( -12.175 -0.852 -9.284) 15.335 4.922 ( 11.532 -1.965 -0.164) 11.699 5.197 ( -2.544 3.163 5.292) 6.669 5.475 ( 5.920 1.271 5.734) 8.339 5.618 ( -4.618 -6.371 -2.348) 8.211 6.350 ( 4.205 5.468 7.138) 9.926 6.782 ( -0.158 1.209 2.929) 3.172 6.900 ( -4.593 -4.379 1.872) 6.616 8.415 ( -11.073 1.149 -5.563) 12.445 10.559 ( -0.388 -0.883 -0.200) 0.985 10.908 ( -5.738 5.172 1.213) 7.820 11.281 ( -2.160 -4.790 -0.728) 5.305 12.064 ( -4.498 4.095 2.895) 6.737 13.263 ( 11.136 4.001 -4.184) 12.551 13.400 ( -3.943 -1.161 -2.604) 4.866 13.707 ( 6.223 1.666 2.245) 6.822 14.127 ( -0.393 2.053 -0.050) 2.091 14.244 ( -1.175 -3.547 -0.648) 3.792 14.683 ( -10.723 -1.912 -5.485) 12.196 18.422 ( -0.098 -0.332 1.287) 1.333 23.674 ( 2.754 2.022 -1.219) 3.628 24.971 ( 1.403 -1.393 -3.429) 3.958 25.382 ( -0.190 7.518 0.795) 7.562 25.695 ( -7.354 -4.423 1.174) 8.661 26.283 ( -0.928 -0.827 6.940) 7.051 26.640 ( 9.947 -2.657 -2.097) 10.507 33.546 ( -1.570 1.085 -3.008) 3.563 ======================= Grid point 153 (75/165) ======================= q-point: ( 0.50 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 3.230 2.445 -4.947) 6.394 0.990 ( 4.986 -3.372 -0.196) 6.022 1.119 ( 5.637 -0.030 3.903) 6.857 1.171 ( -2.360 -1.805 -3.001) 4.223 1.272 ( -3.268 -2.757 -1.017) 4.395 1.290 ( -1.250 -2.390 2.935) 3.986 1.418 ( -2.097 -3.637 -0.990) 4.314 1.459 ( -6.373 0.578 -1.040) 6.483 1.620 ( -0.301 0.019 1.846) 1.870 1.698 ( -3.463 1.328 -1.798) 4.122 1.845 ( -0.324 -0.170 1.772) 1.809 1.923 ( -5.707 1.433 -2.153) 6.265 2.020 ( -6.645 4.140 1.132) 7.911 2.098 ( -3.640 1.463 3.241) 5.088 2.536 ( -1.515 -0.752 -3.401) 3.798 3.266 ( 12.456 -11.103 -4.667) 17.326 4.013 ( 8.067 -12.915 -0.765) 15.246 4.580 ( 13.629 -1.522 -1.229) 13.769 4.618 ( -6.093 0.269 -4.858) 7.797 5.039 ( 2.305 1.175 -0.122) 2.590 5.157 ( 11.366 2.900 -0.558) 11.743 5.503 ( -4.063 -0.233 0.530) 4.104 5.766 ( 5.454 -9.855 1.204) 11.328 6.223 ( -4.587 10.379 6.373) 13.014 6.803 ( -3.503 -1.900 5.197) 6.549 6.917 ( -3.869 -3.120 -0.252) 4.977 8.272 ( -7.168 1.892 -1.874) 7.646 10.581 ( -0.145 -2.075 -0.197) 2.090 10.778 ( -3.401 4.866 1.788) 6.201 11.350 ( -3.190 -7.155 -0.511) 7.851 11.933 ( -3.545 6.753 -0.941) 7.685 13.238 ( 6.236 6.604 -5.532) 10.635 13.426 ( 4.139 -0.862 -0.555) 4.264 13.713 ( 0.024 1.607 1.509) 2.205 14.082 ( -1.616 1.849 -0.863) 2.603 14.283 ( -2.347 -3.302 0.465) 4.078 14.642 ( -2.700 -3.538 -1.637) 4.742 18.434 ( -0.564 -0.852 1.088) 1.493 23.652 ( 1.596 2.989 -0.031) 3.388 24.988 ( -2.080 -2.912 -4.202) 5.519 25.241 ( 1.664 9.448 -1.562) 9.720 25.722 ( -2.790 -4.355 1.841) 5.490 26.309 ( -2.698 -1.194 6.448) 7.091 26.772 ( 7.465 -3.019 -3.046) 8.609 33.503 ( -0.601 1.579 -1.527) 2.277 ======================= Grid point 154 (76/165) ======================= q-point: (-0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 3.106 8.865 -7.127) 11.791 1.050 ( -2.514 0.120 -1.343) 2.853 1.160 ( -0.826 -1.221 -2.408) 2.823 1.182 ( -0.667 -0.001 0.140) 0.681 1.252 ( 4.235 -4.195 1.112) 6.064 1.359 ( -1.533 0.312 0.937) 1.824 1.428 ( 0.833 -2.856 -0.706) 3.058 1.492 ( 0.216 -6.328 -0.088) 6.332 1.593 ( -1.668 1.999 1.450) 2.980 1.660 ( -2.740 -1.588 0.728) 3.250 1.794 ( -4.512 3.719 -0.615) 5.879 1.860 ( 0.356 -0.075 2.975) 2.997 1.924 ( -3.625 2.156 2.080) 4.703 2.047 ( -3.775 1.477 1.435) 4.300 2.549 ( 1.621 -0.937 -2.591) 3.197 3.555 ( 14.691 -7.936 -3.389) 17.038 4.264 ( 2.037 -6.383 2.570) 7.176 4.526 ( -9.372 -0.470 -4.351) 10.343 4.727 ( 11.550 -1.734 0.430) 11.688 4.994 ( 2.215 2.299 -3.087) 4.441 5.309 ( 17.974 0.724 -0.354) 17.993 5.405 ( -12.478 -0.775 -7.009) 14.332 5.939 ( 1.223 -0.006 -1.736) 2.124 6.062 ( -4.447 1.014 7.230) 8.549 6.779 ( -9.002 -0.720 6.040) 10.864 6.938 ( -2.004 -4.521 -3.690) 6.170 8.213 ( 2.627 2.050 3.294) 4.685 10.620 ( -0.917 -3.614 -0.900) 3.836 10.700 ( -1.359 2.540 2.172) 3.608 11.444 ( -3.806 -8.747 0.801) 9.573 11.777 ( -0.522 7.744 -3.778) 8.632 13.133 ( 0.795 8.617 -4.119) 9.584 13.482 ( 4.493 -0.981 -0.398) 4.616 13.710 ( -0.098 -0.942 1.428) 1.714 14.048 ( -0.442 0.157 0.331) 0.574 14.308 ( -2.770 -2.896 1.044) 4.142 14.695 ( 4.560 -1.132 -1.117) 4.830 18.443 ( -1.579 -1.125 0.358) 1.972 23.608 ( 0.023 3.707 0.775) 3.787 24.982 ( -4.296 -2.205 -3.744) 6.111 25.122 ( 4.015 6.559 -3.347) 8.388 25.791 ( 1.123 -3.852 2.607) 4.785 26.316 ( -4.041 -1.012 5.932) 7.249 26.857 ( 3.570 -1.728 -4.678) 6.132 33.471 ( 0.730 1.802 -0.339) 1.973 ======================= Grid point 155 (77/165) ======================= q-point: (-0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 3.825 8.526 -4.870) 10.538 0.972 ( 1.387 3.750 2.839) 4.904 1.165 ( -0.962 -1.705 -4.885) 5.263 1.243 ( 5.195 -0.947 -1.154) 5.405 1.318 ( -1.055 -1.716 -0.613) 2.105 1.376 ( -2.907 -0.996 3.015) 4.305 1.491 ( 4.974 -3.890 -0.991) 6.392 1.542 ( 1.589 1.553 2.584) 3.408 1.578 ( -0.023 0.521 -0.283) 0.593 1.666 ( -1.882 -0.236 0.161) 1.903 1.762 ( 1.229 -1.985 0.741) 2.449 1.872 ( -4.460 -0.825 3.621) 5.804 1.897 ( 6.164 1.535 4.053) 7.535 1.982 ( -4.174 1.095 -0.974) 4.424 2.554 ( 1.524 2.154 0.136) 2.642 3.784 ( 11.057 -3.405 -2.662) 11.872 4.214 ( 0.413 13.009 -1.103) 13.063 4.372 ( -20.437 -2.736 -1.886) 20.706 4.913 ( 13.460 -1.774 -0.802) 13.600 5.028 ( 9.042 0.683 1.982) 9.281 5.217 ( -16.719 -3.129 -10.486) 19.982 5.482 ( 8.391 -1.481 -0.387) 8.530 5.841 ( -2.520 3.560 0.198) 4.367 6.070 ( -8.105 -1.833 0.808) 8.349 6.716 ( -8.367 -1.636 2.729) 8.951 6.993 ( 0.784 -4.611 -5.090) 6.913 8.290 ( 12.669 1.131 5.955) 14.045 10.670 ( -1.566 -3.008 -1.831) 3.854 10.676 ( -1.285 -1.534 2.017) 2.841 11.548 ( -3.530 -5.336 1.257) 6.520 11.667 ( 2.701 2.708 -1.976) 4.305 12.966 ( -3.938 6.666 -1.817) 7.953 13.555 ( 5.390 -1.274 -0.572) 5.569 13.729 ( -1.782 -1.178 0.459) 2.185 14.071 ( 0.650 -1.686 1.522) 2.362 14.343 ( -0.027 -2.488 3.311) 4.141 14.743 ( 8.120 2.001 -4.195) 9.356 18.439 ( -2.675 -1.092 -0.271) 2.902 23.540 ( -1.175 3.968 1.418) 4.375 24.946 ( 1.073 2.143 -2.557) 3.504 25.093 ( 0.104 -1.572 -3.486) 3.825 25.889 ( 4.225 -3.239 2.622) 5.935 26.307 ( -4.031 -0.308 5.097) 6.506 26.852 ( -2.127 1.050 -6.137) 6.580 33.462 ( 2.511 1.267 0.429) 2.845 ======================= Grid point 156 (78/165) ======================= q-point: (-0.12 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 8.826 3.115 3.715) 10.070 0.992 ( 5.197 3.891 7.073) 9.601 1.138 ( -3.796 -0.404 -4.626) 5.998 1.260 ( -0.706 -0.206 -1.644) 1.801 1.333 ( -1.252 0.741 -0.780) 1.651 1.351 ( -0.533 -2.374 -0.494) 2.483 1.528 ( -0.835 2.097 -0.512) 2.314 1.581 ( 4.870 1.156 1.824) 5.327 1.620 ( 2.586 -0.352 0.017) 2.610 1.641 ( 3.718 -1.073 1.785) 4.261 1.810 ( 0.241 -1.532 -2.163) 2.662 1.871 ( 2.144 0.548 3.558) 4.190 1.913 ( -2.780 -0.417 0.315) 2.828 2.028 ( 8.900 -3.056 1.901) 9.600 2.509 ( 1.946 6.380 4.023) 7.790 3.790 ( -0.882 11.038 -9.619) 14.667 3.922 ( 0.435 17.316 0.669) 17.334 4.242 ( -15.371 -5.848 2.890) 16.698 4.972 ( -4.842 -1.470 -6.206) 8.008 5.067 ( -8.402 -4.867 -9.756) 13.764 5.210 ( 13.723 1.142 10.717) 17.450 5.501 ( -8.000 -3.161 -2.317) 8.908 5.821 ( 6.040 4.244 1.334) 7.502 5.966 ( -10.726 -0.430 -1.126) 10.794 6.696 ( -4.463 -3.568 -0.508) 5.737 7.038 ( 2.165 -1.018 -5.373) 5.881 8.461 ( 14.565 -0.783 3.360) 14.968 10.656 ( -1.278 0.732 0.434) 1.536 10.751 ( -2.218 -7.787 -0.690) 8.126 11.498 ( 1.524 5.725 -3.036) 6.657 11.782 ( -0.397 -9.534 6.672) 11.643 12.856 ( -1.089 2.377 0.800) 2.734 13.615 ( 3.039 -0.665 -1.063) 3.287 13.707 ( -4.492 -0.543 -1.310) 4.711 14.101 ( -1.615 -1.673 0.926) 2.502 14.401 ( 0.161 -0.864 4.751) 4.832 14.788 ( 12.621 1.827 -8.253) 15.190 18.424 ( -2.747 -0.896 -0.212) 2.897 23.485 ( 0.448 2.345 1.971) 3.096 24.925 ( 4.605 3.126 -1.976) 5.906 25.139 ( -2.225 -6.619 -1.349) 7.112 26.000 ( 5.649 -2.516 1.184) 6.297 26.280 ( -3.893 1.104 4.143) 5.791 26.722 ( -7.340 5.564 -5.163) 10.559 33.493 ( 4.196 -0.689 -0.117) 4.254 ======================= Grid point 160 (79/165) ======================= q-point: ( 0.38 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -0.036 -0.000 -5.730) 5.730 0.988 ( 7.630 0.000 3.075) 8.226 1.090 ( -1.509 -0.000 -0.050) 1.510 1.134 ( -0.546 -0.000 -0.676) 0.869 1.234 ( -1.419 -0.000 5.235) 5.424 1.244 ( -0.769 -0.000 -2.951) 3.050 1.365 ( -3.573 -0.000 2.971) 4.647 1.463 ( -7.623 -0.000 0.144) 7.625 1.614 ( -0.013 -0.000 1.883) 1.883 1.755 ( 2.219 0.000 -0.605) 2.300 1.824 ( -5.364 -0.000 -4.070) 6.734 1.944 ( -3.186 -0.000 -1.868) 3.693 2.099 ( -5.733 -0.000 1.013) 5.822 2.129 ( -3.457 -0.000 2.424) 4.222 2.538 ( -3.626 -0.000 -5.140) 6.291 2.976 ( 9.937 0.000 -1.867) 10.111 3.774 ( 8.317 0.000 -5.262) 9.842 4.558 ( 12.229 0.000 -5.801) 13.535 4.620 ( -3.609 -0.000 -4.042) 5.419 5.074 ( 18.867 0.000 5.518) 19.657 5.265 ( 1.008 0.000 7.014) 7.086 5.497 ( -1.646 -0.000 -3.130) 3.536 5.510 ( -3.885 -0.000 0.812) 3.969 6.473 ( 1.053 0.000 8.401) 8.467 6.714 ( -9.059 -0.000 4.125) 9.954 6.872 ( -0.425 -0.000 0.083) 0.433 8.306 ( -7.334 -0.000 -2.235) 7.667 10.554 ( 0.584 0.000 0.065) 0.587 10.894 ( -5.577 -0.000 1.072) 5.679 11.206 ( -3.515 -0.000 -0.234) 3.523 12.050 ( -5.434 -0.000 0.136) 5.436 13.339 ( -1.612 -0.000 -1.073) 1.936 13.413 ( 12.448 0.000 -5.185) 13.484 13.784 ( 3.280 0.000 -4.055) 5.216 14.142 ( -1.343 -0.000 -0.605) 1.473 14.179 ( -4.776 -0.000 -2.350) 5.323 14.567 ( -3.631 -0.000 5.033) 6.206 18.419 ( -0.748 -0.000 1.087) 1.320 23.709 ( 1.937 0.000 -1.214) 2.286 24.937 ( -2.165 -0.000 -5.375) 5.795 25.463 ( 0.106 0.000 1.538) 1.542 25.599 ( -2.712 -0.000 1.669) 3.185 26.290 ( -1.475 -0.000 5.647) 5.836 26.704 ( 7.682 0.000 -1.748) 7.878 33.532 ( -0.605 -0.000 -2.051) 2.138 ======================= Grid point 161 (80/165) ======================= q-point: (-0.50 -0.62 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 3.848 -5.174 -5.862) 8.715 0.993 ( -1.896 1.405 -0.777) 2.484 1.113 ( -0.350 -2.215 0.833) 2.392 1.177 ( 4.444 -0.711 3.617) 5.774 1.228 ( -2.281 0.180 0.050) 2.288 1.272 ( 2.345 -2.643 2.225) 4.175 1.346 ( -4.919 -1.606 2.817) 5.891 1.390 ( -5.258 -0.268 -2.020) 5.639 1.623 ( -0.112 -0.251 2.659) 2.673 1.708 ( -0.458 3.950 -3.377) 5.217 1.808 ( -0.478 -2.052 -0.455) 2.156 1.891 ( -3.018 1.465 -1.217) 3.568 1.990 ( -9.804 0.455 -3.535) 10.432 2.087 ( -3.924 1.028 0.566) 4.095 2.543 ( 7.072 0.571 -0.717) 7.131 3.178 ( 9.651 -11.123 -1.552) 14.808 3.892 ( 5.209 -8.010 -4.560) 10.587 4.567 ( -1.553 1.141 -6.907) 7.171 4.654 ( 6.619 -1.676 -0.466) 6.844 5.194 ( 4.533 8.572 7.269) 12.119 5.319 ( 13.980 -0.284 0.762) 14.004 5.397 ( -11.366 0.623 -5.831) 12.789 5.637 ( 4.273 -11.630 1.952) 12.543 6.392 ( -3.256 10.405 8.265) 13.681 6.703 ( -7.921 -3.791 6.888) 11.161 6.846 ( -3.906 -1.603 -3.778) 5.666 8.264 ( 1.454 0.848 2.231) 2.795 10.566 ( 0.906 -0.268 0.144) 0.956 10.819 ( -3.021 3.452 1.495) 4.825 11.206 ( -4.294 -4.865 -0.173) 6.491 11.965 ( -4.110 3.086 -2.461) 5.698 13.333 ( 2.942 1.875 -1.097) 3.657 13.488 ( 6.779 1.530 -7.333) 10.103 13.729 ( -3.360 2.325 -3.154) 5.162 14.067 ( -4.960 0.966 -1.455) 5.258 14.176 ( -3.674 -4.762 -2.324) 6.448 14.652 ( 9.011 -0.757 9.786) 13.324 18.417 ( -1.171 -0.434 0.710) 1.437 23.708 ( 1.566 1.898 -0.671) 2.551 24.889 ( -4.786 -1.777 -6.274) 8.089 25.393 ( 1.259 7.298 -0.649) 7.435 25.651 ( 0.453 -4.506 3.445) 5.690 26.293 ( -2.485 -0.265 4.860) 5.465 26.778 ( 3.988 -2.005 -1.975) 4.881 33.520 ( 0.976 0.905 -1.079) 1.713 ======================= Grid point 162 (81/165) ======================= q-point: (-0.38 -0.62 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -1.913 3.866 -8.457) 9.493 0.974 ( 0.248 -4.173 -2.196) 4.722 1.121 ( -1.758 0.135 -1.708) 2.455 1.217 ( 1.049 0.123 1.926) 2.197 1.240 ( 0.848 -2.181 -0.225) 2.350 1.316 ( -5.721 -2.057 2.503) 6.575 1.379 ( 2.732 -2.406 -1.478) 3.929 1.403 ( 2.202 -6.320 2.704) 7.218 1.628 ( 0.621 0.528 0.925) 1.233 1.676 ( 4.734 2.768 1.419) 5.665 1.822 ( -1.050 2.407 -1.446) 2.998 1.830 ( -1.982 -1.156 1.212) 2.595 1.914 ( -2.246 -1.198 -2.158) 3.337 2.025 ( -3.386 1.452 -1.164) 3.864 2.627 ( 10.629 2.218 3.552) 11.424 3.474 ( 6.795 -13.874 -2.757) 15.693 4.073 ( -4.914 -11.140 -0.014) 12.176 4.466 ( -7.244 -0.285 -7.280) 10.274 4.754 ( 9.224 -0.611 -4.913) 10.468 5.153 ( 6.895 5.171 6.754) 10.949 5.222 ( -12.880 0.687 -7.589) 14.965 5.440 ( 5.315 -0.401 0.489) 5.352 5.865 ( 1.270 -8.442 2.778) 8.977 6.193 ( -1.367 13.046 6.243) 14.527 6.642 ( -12.922 -1.673 -0.399) 13.036 6.877 ( 2.817 -3.631 1.214) 4.754 8.327 ( 9.835 0.907 5.008) 11.074 10.578 ( 0.007 -0.571 -0.298) 0.644 10.748 ( -0.505 3.500 2.247) 4.190 11.268 ( -3.756 -7.731 0.156) 8.597 11.857 ( -1.123 4.786 -3.769) 6.194 13.227 ( -5.076 8.275 -7.749) 12.421 13.499 ( 3.428 -1.955 -2.304) 4.569 13.696 ( -1.453 -0.455 1.591) 2.202 14.030 ( -1.094 -0.569 -0.798) 1.468 14.228 ( 0.210 -4.858 -0.783) 4.926 14.795 ( 11.229 1.522 5.987) 12.816 18.412 ( -1.613 -0.496 0.238) 1.704 23.672 ( 0.396 3.614 -0.194) 3.640 24.853 ( -5.240 -3.585 -5.750) 8.566 25.279 ( 3.162 8.089 -2.877) 9.149 25.763 ( 2.914 -4.758 4.840) 7.386 26.287 ( -3.232 -0.436 4.788) 5.793 26.823 ( -0.597 -2.003 -3.158) 3.787 33.514 ( 2.217 1.576 -0.551) 2.775 ======================= Grid point 163 (82/165) ======================= q-point: (-0.25 -0.62 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 1.813 4.109 -4.798) 6.572 1.025 ( 0.908 -0.941 -1.409) 1.923 1.110 ( -0.490 -1.476 -1.721) 2.319 1.211 ( -3.989 -1.912 0.900) 4.514 1.246 ( -4.832 -2.531 -2.797) 6.131 1.333 ( 1.588 -1.345 0.376) 2.115 1.497 ( 5.410 -4.465 0.430) 7.028 1.534 ( 2.479 -4.747 2.271) 5.817 1.639 ( 3.109 3.250 0.846) 4.577 1.652 ( -2.332 0.843 0.358) 2.506 1.805 ( -0.791 0.362 0.913) 1.261 1.855 ( 9.734 0.624 1.159) 9.823 1.942 ( 0.703 -0.945 -0.021) 1.178 1.971 ( 1.194 0.771 -1.402) 1.996 2.694 ( 7.890 4.662 5.811) 10.851 3.719 ( 0.921 -10.393 -1.508) 10.542 4.021 ( -21.701 -3.968 -2.014) 22.153 4.429 ( 1.965 2.926 -2.671) 4.422 4.849 ( 4.485 -6.286 -13.145) 15.245 5.054 ( -5.783 3.129 -5.107) 8.325 5.212 ( 1.600 -0.178 7.078) 7.259 5.448 ( -0.703 0.830 2.429) 2.662 5.924 ( -8.582 -2.640 1.631) 9.126 6.031 ( 4.479 10.067 3.701) 11.623 6.551 ( -8.882 -3.473 -3.221) 10.066 7.003 ( 9.161 -2.048 2.094) 9.617 8.458 ( 12.068 0.345 3.445) 12.555 10.587 ( -1.030 -1.811 -0.697) 2.196 10.710 ( 0.648 2.647 2.556) 3.736 11.383 ( -2.140 -9.555 1.317) 9.880 11.760 ( 1.404 5.239 -3.088) 6.241 12.995 ( -7.839 6.021 -5.297) 11.214 13.575 ( 4.096 -2.186 -1.777) 4.972 13.681 ( -4.258 -0.551 0.684) 4.348 14.040 ( -0.494 -1.472 -0.252) 1.573 14.333 ( 4.546 -3.696 2.973) 6.570 14.871 ( 9.218 3.477 -0.837) 9.887 18.402 ( -1.706 -0.365 0.250) 1.762 23.600 ( -1.087 4.290 0.414) 4.445 24.858 ( -3.541 -5.368 -4.159) 7.659 25.178 ( 3.876 7.007 -3.749) 8.842 25.904 ( 5.975 -4.056 4.122) 8.315 26.283 ( -3.081 -0.560 5.238) 6.103 26.796 ( -5.168 -0.229 -4.236) 6.686 33.511 ( 2.564 1.499 -0.570) 3.024 ======================= Grid point 164 (83/165) ======================= q-point: (-0.12 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 7.539 1.967 1.596) 7.953 1.002 ( -9.521 -3.617 -4.279) 11.047 1.115 ( -1.773 2.912 6.245) 7.115 1.234 ( -2.568 -3.756 -2.180) 5.045 1.246 ( 5.055 -1.529 0.320) 5.291 1.367 ( 1.900 -0.541 -1.467) 2.461 1.564 ( -2.892 3.227 -1.789) 4.688 1.579 ( -0.035 -0.266 1.005) 1.040 1.621 ( -0.823 -3.785 0.637) 3.926 1.660 ( 4.111 0.313 1.712) 4.464 1.798 ( -0.691 -0.756 -0.812) 1.307 1.892 ( -3.008 1.282 1.587) 3.634 2.028 ( 18.095 1.229 1.010) 18.164 2.055 ( 9.179 -2.914 -0.848) 9.668 2.668 ( -0.605 5.449 2.909) 6.206 3.689 ( -19.746 -0.343 -2.092) 19.860 3.964 ( -4.577 -4.828 1.953) 6.933 4.344 ( 8.541 10.856 -3.894) 14.352 4.808 ( -9.297 -0.687 -7.423) 11.917 5.019 ( 2.996 2.950 -2.263) 4.775 5.210 ( -7.477 -6.482 -2.878) 10.305 5.489 ( 3.515 1.406 4.309) 5.736 5.831 ( -8.821 -0.366 0.734) 8.859 5.997 ( 5.897 3.915 4.941) 8.633 6.548 ( -2.322 -4.168 -2.520) 5.396 7.115 ( 8.581 1.447 0.699) 8.730 8.568 ( 6.762 -0.386 -1.537) 6.945 10.624 ( -0.756 -4.321 0.009) 4.386 10.684 ( 0.125 2.406 1.782) 2.997 11.524 ( 0.689 -5.718 -0.075) 5.759 11.706 ( 0.883 0.545 1.789) 2.068 12.863 ( -2.806 0.906 -1.225) 3.193 13.621 ( 0.274 -1.447 -4.186) 4.438 13.635 ( -4.339 0.134 0.244) 4.348 14.059 ( -0.840 -1.548 0.650) 1.877 14.431 ( 2.333 -0.213 5.769) 6.226 14.886 ( 6.962 1.985 -8.331) 11.037 18.396 ( -0.801 -0.337 0.955) 1.291 23.533 ( -0.395 2.649 1.200) 2.935 24.923 ( -0.595 -6.574 -2.379) 7.016 25.101 ( 2.681 4.619 -3.121) 6.186 26.032 ( 5.764 -1.834 -0.077) 6.050 26.281 ( -2.210 0.495 6.765) 7.134 26.696 ( -6.308 2.230 -3.521) 7.561 33.517 ( 1.923 0.165 -1.199) 2.272 ======================= Grid point 169 (84/165) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 7.487 0.000 -5.426) 9.246 0.925 ( -9.440 -0.000 -2.875) 9.868 1.141 ( 1.473 0.000 2.725) 3.098 1.199 ( -2.593 -0.000 -1.391) 2.942 1.219 ( 4.035 0.000 0.419) 4.056 1.270 ( -0.995 -0.000 1.164) 1.531 1.297 ( -1.386 -0.000 6.570) 6.715 1.337 ( -1.653 -0.000 -3.649) 4.006 1.635 ( 1.228 0.000 1.985) 2.334 1.779 ( 7.050 0.000 -0.488) 7.066 1.791 ( 1.627 0.000 -1.806) 2.431 1.829 ( -12.347 -0.000 -5.004) 13.322 1.889 ( 0.178 0.000 -1.060) 1.075 2.059 ( -3.042 -0.000 -0.723) 3.127 2.673 ( 13.285 0.000 3.583) 13.760 3.148 ( 5.528 0.000 -2.143) 5.929 3.842 ( 1.959 0.000 -4.433) 4.847 4.441 ( -15.274 -0.000 -12.098) 19.485 4.780 ( 15.203 0.000 3.730) 15.653 5.226 ( -12.590 -0.000 -6.400) 14.123 5.303 ( -3.587 -0.000 3.576) 5.065 5.539 ( 5.707 0.000 -0.153) 5.709 5.548 ( 11.173 0.000 8.762) 14.199 6.476 ( -10.424 -0.000 8.106) 13.205 6.642 ( 0.721 0.000 5.795) 5.839 6.754 ( -3.214 -0.000 -4.522) 5.548 8.343 ( 8.837 0.000 4.617) 9.971 10.581 ( 1.507 0.000 0.471) 1.579 10.838 ( -0.121 -0.000 1.316) 1.322 11.114 ( -4.433 -0.000 -0.208) 4.438 11.937 ( -3.131 -0.000 -3.300) 4.549 13.391 ( 4.813 0.000 1.801) 5.139 13.464 ( -8.026 -0.000 -15.763) 17.689 13.699 ( -2.407 -0.000 -0.024) 2.407 14.028 ( 0.461 0.000 -1.377) 1.453 14.102 ( -0.915 -0.000 -1.374) 1.651 14.827 ( 13.948 0.000 11.515) 18.087 18.405 ( -0.885 -0.000 0.515) 1.025 23.740 ( 1.948 0.000 -1.208) 2.292 24.790 ( -5.474 -0.000 -6.744) 8.686 25.473 ( 0.048 0.000 0.448) 0.451 25.626 ( 2.038 0.000 2.647) 3.341 26.284 ( -2.482 -0.000 3.898) 4.621 26.778 ( 0.011 0.000 -0.844) 0.844 33.543 ( 2.645 0.000 -0.931) 2.804 ======================= Grid point 170 (85/165) ======================= q-point: (-0.38 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -7.702 0.058 -6.884) 10.330 0.934 ( 6.627 -3.973 -1.678) 7.907 1.092 ( -7.387 0.899 1.519) 7.595 1.174 ( -4.247 -1.306 -1.596) 4.721 1.209 ( -0.487 1.505 -3.236) 3.602 1.300 ( 1.715 -1.622 -2.203) 3.229 1.330 ( 0.246 -3.534 0.136) 3.545 1.412 ( 9.805 -2.060 4.669) 11.054 1.673 ( 1.782 0.553 2.029) 2.757 1.689 ( -4.072 -0.064 -2.470) 4.763 1.817 ( 1.196 0.387 0.752) 1.465 1.885 ( 10.416 0.108 0.661) 10.437 1.895 ( 2.400 -0.437 -1.363) 2.794 2.024 ( 0.379 1.375 -0.908) 1.691 2.804 ( 9.024 1.894 4.536) 10.276 3.282 ( 2.342 -11.453 -2.635) 11.983 3.875 ( -5.446 -4.506 -2.526) 7.507 4.233 ( -15.683 -5.544 -10.851) 19.861 4.916 ( 13.624 4.660 -2.756) 14.660 5.073 ( -12.901 -0.372 -4.171) 13.563 5.245 ( -4.167 1.348 4.169) 6.046 5.525 ( 4.698 4.056 3.209) 6.987 5.751 ( -0.679 -7.086 5.072) 8.740 6.320 ( -14.662 2.647 3.768) 15.368 6.597 ( 5.383 8.010 0.666) 9.674 6.870 ( 8.436 -6.198 4.402) 11.356 8.469 ( 11.074 0.214 3.876) 11.735 10.591 ( 1.043 0.883 0.435) 1.434 10.825 ( 2.332 3.508 1.740) 4.558 11.122 ( -2.790 -5.469 -0.528) 6.162 11.884 ( -1.148 1.881 -3.117) 3.818 13.207 ( -14.052 5.363 -12.505) 19.560 13.478 ( 3.376 -2.908 -0.524) 4.486 13.682 ( -2.222 0.303 1.965) 2.982 14.036 ( 2.835 1.523 -1.418) 3.517 14.165 ( 4.590 -5.476 -0.799) 7.190 14.991 ( 12.331 2.690 7.209) 14.535 18.400 ( -0.339 0.118 0.458) 0.582 23.730 ( 1.103 2.724 -1.757) 3.424 24.728 ( -4.440 -2.114 -5.736) 7.556 25.413 ( 1.265 6.049 -1.693) 6.408 25.720 ( 2.379 -5.907 4.457) 7.773 26.273 ( -2.339 0.035 3.937) 4.579 26.763 ( -4.221 -0.987 -0.820) 4.412 33.563 ( 3.411 1.153 -1.373) 3.853 ======================= Grid point 171 (86/165) ======================= q-point: (-0.25 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -3.551 -1.866 -2.377) 4.663 0.969 ( -6.073 1.117 -1.250) 6.299 1.065 ( -3.349 -4.883 1.009) 6.007 1.143 ( -2.974 -0.713 -0.179) 3.064 1.218 ( 8.065 -0.552 -1.945) 8.315 1.336 ( 2.136 -1.522 -1.379) 2.963 1.430 ( 1.738 -5.789 -0.086) 6.045 1.537 ( 4.291 -1.399 1.798) 4.858 1.620 ( -2.606 0.012 -0.779) 2.720 1.737 ( 4.861 1.347 2.179) 5.495 1.798 ( -0.651 1.861 0.013) 1.972 1.923 ( -0.730 0.399 -0.203) 0.856 1.960 ( 3.784 -2.026 -1.650) 4.598 2.102 ( 20.242 2.197 1.827) 20.443 2.792 ( -7.766 2.248 -0.462) 8.098 3.502 ( -1.818 -13.152 0.227) 13.279 3.765 ( -14.912 -1.476 -3.441) 15.375 4.320 ( 0.399 -12.935 -0.324) 12.945 4.860 ( -0.896 6.132 -9.206) 11.097 4.977 ( -2.676 -2.247 -3.941) 5.267 5.202 ( -2.786 2.716 1.075) 4.036 5.530 ( 0.384 0.973 2.119) 2.363 5.796 ( -5.594 -2.254 3.491) 6.969 6.159 ( -9.373 3.301 5.437) 11.327 6.562 ( 10.591 6.649 1.144) 12.557 7.082 ( 10.856 -3.694 4.294) 12.245 8.575 ( 7.377 0.529 -0.150) 7.397 10.583 ( 0.750 1.052 0.489) 1.381 10.797 ( 2.928 4.195 2.270) 5.597 11.220 ( -0.275 -8.526 -0.225) 8.534 11.830 ( 0.638 3.113 -1.884) 3.695 12.946 ( -11.500 3.548 -7.733) 14.305 13.542 ( 0.242 -2.682 -3.007) 4.037 13.657 ( -1.578 0.854 2.076) 2.744 14.038 ( 2.244 0.748 -1.047) 2.587 14.328 ( 6.846 -5.681 1.630) 9.044 15.034 ( 6.390 6.064 -0.010) 8.809 18.398 ( 0.344 0.422 0.958) 1.102 23.660 ( -1.222 4.497 -1.301) 4.838 24.724 ( -2.404 -4.339 -4.190) 6.494 25.314 ( 2.294 6.773 -3.185) 7.829 25.893 ( 5.740 -7.115 3.885) 9.933 26.270 ( -1.758 -0.317 5.228) 5.525 26.709 ( -7.587 -0.616 -1.223) 7.709 33.560 ( 2.321 2.018 -2.162) 3.759 ======================= Grid point 172 (87/165) ======================= q-point: (-0.12 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -11.040 -5.574 1.534) 12.462 0.896 ( 1.348 2.337 -0.898) 2.843 1.119 ( -2.202 -5.168 2.294) 6.068 1.132 ( -0.650 -0.409 -2.002) 2.144 1.345 ( 9.890 0.140 2.691) 10.250 1.379 ( 4.161 -1.587 -0.022) 4.453 1.529 ( 0.001 -3.884 -1.203) 4.066 1.551 ( -1.533 -0.184 1.314) 2.028 1.620 ( 0.813 1.461 0.067) 1.673 1.732 ( 1.429 3.220 1.678) 3.902 1.778 ( 0.460 -0.337 -2.040) 2.118 1.894 ( -1.605 0.874 2.202) 2.862 2.046 ( 5.075 -2.977 -1.597) 6.097 2.297 ( 18.521 2.014 1.652) 18.703 2.589 ( -20.978 -0.260 -6.640) 22.005 3.504 ( -14.530 0.799 3.567) 14.983 3.811 ( 0.963 -11.844 -1.314) 11.955 4.508 ( 6.060 -0.863 2.699) 6.690 4.746 ( 2.525 0.558 -4.527) 5.213 4.993 ( -8.184 -4.763 -9.593) 13.479 5.138 ( 6.174 3.533 1.741) 7.323 5.453 ( -9.798 1.130 -6.086) 11.590 5.824 ( 3.218 -0.326 6.269) 7.054 6.063 ( -5.080 1.974 7.302) 9.112 6.600 ( 10.960 3.801 2.238) 11.814 7.219 ( 6.335 0.459 1.908) 6.632 8.585 ( -1.259 0.979 -5.482) 5.709 10.591 ( 1.267 -0.593 1.282) 1.898 10.762 ( 2.117 4.507 1.819) 5.301 11.389 ( 2.049 -10.337 0.467) 10.548 11.774 ( 0.723 4.302 -0.139) 4.364 12.814 ( -4.731 -1.001 -2.607) 5.494 13.535 ( -3.584 -1.116 -5.298) 6.492 13.651 ( 0.923 0.724 2.473) 2.737 14.046 ( 1.010 -0.078 -1.104) 1.498 14.471 ( 3.529 -2.003 4.953) 6.403 14.946 ( -0.116 5.273 -8.123) 9.686 18.406 ( 1.404 0.376 1.929) 2.415 23.572 ( -1.755 3.084 0.258) 3.558 24.786 ( -0.420 -6.674 -2.997) 7.328 25.216 ( 2.140 6.404 -2.819) 7.317 26.045 ( 3.889 -2.127 -2.973) 5.337 26.306 ( 1.384 -1.073 9.341) 9.504 26.634 ( -5.967 -0.776 -0.966) 6.094 33.532 ( -0.031 1.421 -2.578) 2.944 ======================= Grid point 178 (88/165) ======================= q-point: (-0.38 -0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -2.178 -0.000 -5.630) 6.036 0.922 ( -3.215 -0.000 -2.813) 4.272 1.002 ( -13.149 -0.000 6.816) 14.811 1.162 ( 6.674 0.000 -1.851) 6.926 1.213 ( -0.412 -0.000 -4.209) 4.229 1.271 ( 0.310 0.000 -3.628) 3.641 1.317 ( 5.833 0.000 -1.380) 5.994 1.523 ( 8.181 0.000 3.449) 8.879 1.613 ( -3.743 -0.000 -1.278) 3.955 1.751 ( 5.217 0.000 2.825) 5.933 1.853 ( 3.321 0.000 1.089) 3.494 1.896 ( 0.919 0.000 -1.351) 1.634 1.952 ( 0.587 0.000 -1.381) 1.500 2.145 ( 19.393 0.000 1.779) 19.475 2.829 ( -10.861 -0.000 -2.263) 11.094 3.188 ( 1.319 0.000 -3.007) 3.284 3.801 ( -3.763 -0.000 -1.183) 3.944 3.977 ( -10.748 -0.000 -4.861) 11.796 4.913 ( -12.442 -0.000 -0.711) 12.462 5.084 ( 9.231 0.000 -7.339) 11.793 5.216 ( -3.068 -0.000 3.273) 4.486 5.559 ( -7.639 -0.000 -2.968) 8.195 5.722 ( 2.771 0.000 7.134) 7.653 6.186 ( -11.758 -0.000 6.386) 13.380 6.841 ( 9.172 0.000 3.732) 9.902 6.897 ( 13.351 0.000 5.832) 14.570 8.586 ( 8.125 0.000 0.785) 8.163 10.616 ( 1.328 0.000 0.713) 1.507 10.910 ( 5.429 0.000 0.985) 5.518 11.042 ( -1.631 -0.000 -0.874) 1.851 11.878 ( -0.450 -0.000 -1.751) 1.808 13.023 ( -16.612 -0.000 -11.765) 20.356 13.488 ( 2.571 0.000 -1.000) 2.759 13.675 ( -1.276 -0.000 2.284) 2.617 14.126 ( 4.179 0.000 0.457) 4.204 14.138 ( 7.335 0.000 -2.326) 7.695 15.161 ( 9.621 0.000 3.377) 10.196 18.409 ( 1.142 0.000 0.726) 1.353 23.756 ( 0.835 0.000 -4.181) 4.263 24.654 ( -2.221 -0.000 -3.930) 4.514 25.471 ( 0.014 0.000 -0.964) 0.964 25.694 ( 1.765 0.000 4.677) 4.999 26.270 ( -1.337 -0.000 3.987) 4.205 26.693 ( -7.533 -0.000 0.580) 7.555 33.604 ( 3.646 0.000 -3.015) 4.731 ======================= Grid point 179 (89/165) ======================= q-point: (-0.25 -0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -4.051 2.641 1.645) 5.107 0.867 ( -5.191 -3.946 -3.989) 7.644 0.939 ( -8.932 -4.550 6.207) 11.790 1.160 ( 2.971 2.820 -2.998) 5.076 1.284 ( 5.664 -3.106 0.186) 6.462 1.299 ( 1.341 -3.214 -1.792) 3.916 1.421 ( 11.148 -1.157 -0.534) 11.221 1.576 ( 0.802 0.985 0.973) 1.600 1.604 ( 1.431 -1.061 0.901) 1.996 1.790 ( 1.438 0.737 0.369) 1.657 1.857 ( 2.160 3.018 0.426) 3.736 1.924 ( -0.189 0.690 -0.740) 1.029 1.951 ( 3.276 -2.400 -0.638) 4.111 2.350 ( 15.966 1.014 0.656) 16.012 2.582 ( -27.506 0.006 -7.513) 28.514 3.288 ( 1.149 -11.224 -1.193) 11.345 3.653 ( -10.363 5.632 0.010) 11.794 4.102 ( 3.104 -16.025 3.752) 16.748 4.839 ( -0.806 1.266 1.732) 2.292 4.987 ( -7.753 4.043 -15.254) 17.582 5.224 ( 1.768 0.712 2.363) 3.036 5.479 ( -2.632 0.527 -2.894) 3.947 5.790 ( 2.948 -1.334 5.412) 6.306 6.131 ( -5.641 1.045 9.931) 11.469 6.832 ( 8.129 8.289 3.429) 12.106 7.140 ( 11.426 -4.782 4.789) 13.280 8.627 ( 1.226 0.971 -3.967) 4.264 10.622 ( 1.650 1.301 0.874) 2.276 10.918 ( 4.426 4.641 1.041) 6.498 11.103 ( 2.026 -6.400 -1.039) 6.793 11.866 ( 0.539 1.176 0.230) 1.314 12.818 ( -11.827 0.567 -7.400) 13.963 13.503 ( 0.229 -0.627 -3.095) 3.167 13.675 ( 0.552 0.553 2.416) 2.539 14.105 ( 3.917 3.997 -1.328) 5.752 14.298 ( 6.225 -6.879 0.324) 9.283 15.182 ( 2.330 6.043 -3.351) 7.292 18.426 ( 2.131 0.597 1.326) 2.580 23.701 ( -1.994 3.462 -4.757) 6.212 24.648 ( 0.385 -1.688 -2.148) 2.759 25.416 ( 0.482 5.046 -2.007) 5.452 25.829 ( 4.966 -8.764 4.719) 11.124 26.279 ( -0.242 -0.004 5.514) 5.520 26.608 ( -9.735 -0.508 1.071) 9.807 33.602 ( 1.459 1.900 -4.834) 5.395 ======================= Grid point 180 (90/165) ======================= q-point: (-0.12 -0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -17.659 0.134 4.425) 18.205 0.941 ( 4.245 -1.702 -1.637) 4.858 1.003 ( -0.604 -8.045 4.111) 9.054 1.153 ( 4.137 1.686 -2.041) 4.911 1.352 ( 1.063 -2.604 -2.194) 3.568 1.392 ( 1.524 -4.923 1.300) 5.315 1.536 ( 5.769 1.265 1.231) 6.033 1.569 ( 2.106 0.150 1.783) 2.764 1.629 ( -1.981 -0.089 -0.243) 1.998 1.763 ( -3.311 0.513 -2.765) 4.344 1.806 ( -0.196 3.820 -1.356) 4.058 1.905 ( -0.315 0.176 2.008) 2.040 2.066 ( 8.229 -1.975 1.008) 8.522 2.256 ( -24.889 -3.108 -5.998) 25.790 2.439 ( -0.064 1.226 1.342) 1.819 3.456 ( -3.192 3.090 5.737) 7.256 3.578 ( 1.696 -16.501 -4.071) 17.081 4.453 ( 6.790 -13.299 4.768) 15.675 4.735 ( -12.310 -0.955 -16.905) 20.934 4.872 ( 4.620 1.957 2.954) 5.822 5.287 ( 11.926 2.082 4.812) 13.027 5.414 ( 1.267 4.361 -7.384) 8.669 5.862 ( 2.020 -1.100 3.837) 4.473 6.090 ( -3.570 2.670 9.945) 10.899 6.799 ( 4.922 5.371 3.378) 8.030 7.288 ( 5.887 0.196 1.435) 6.063 8.533 ( -8.594 2.359 -8.180) 12.097 10.625 ( 2.270 1.219 1.467) 2.965 10.880 ( 3.112 5.398 0.868) 6.291 11.260 ( 4.217 -8.880 -0.794) 9.863 11.844 ( 0.481 3.141 1.612) 3.563 12.723 ( -4.246 -2.317 -2.122) 5.282 13.487 ( -0.508 0.250 -4.038) 4.078 13.690 ( 2.013 0.693 2.565) 3.333 14.067 ( 0.538 2.457 -2.278) 3.393 14.466 ( 3.753 -5.279 2.447) 6.924 14.993 ( -7.122 8.940 -9.059) 14.585 18.447 ( 2.685 0.759 2.155) 3.526 23.592 ( -3.987 3.023 -1.718) 5.290 24.694 ( 1.781 -3.562 -1.872) 4.401 25.321 ( 0.397 5.835 -1.854) 6.136 26.024 ( 4.331 -3.692 -3.985) 6.948 26.343 ( 3.359 -2.522 10.185) 11.017 26.541 ( -5.815 -2.904 1.697) 6.718 33.537 ( -2.435 2.290 -4.757) 5.814 ======================= Grid point 187 (91/165) ======================= q-point: (-0.25 -0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -9.950 -0.000 3.155) 10.438 0.769 ( -14.420 -0.000 9.978) 17.536 0.824 ( 9.857 0.000 -3.878) 10.592 1.233 ( 4.506 0.000 -1.992) 4.926 1.251 ( 2.021 0.000 -3.114) 3.712 1.301 ( 2.494 0.000 -0.903) 2.652 1.544 ( 8.443 0.000 1.502) 8.576 1.598 ( 3.155 0.000 1.138) 3.354 1.602 ( -1.918 -0.000 -0.123) 1.922 1.771 ( -7.424 -0.000 -3.378) 8.157 1.886 ( -2.376 -0.000 -2.570) 3.500 1.914 ( -3.217 -0.000 -0.218) 3.224 2.016 ( 13.372 0.000 3.516) 13.827 2.201 ( -25.311 -0.000 -5.399) 25.880 2.476 ( -2.599 -0.000 0.817) 2.725 3.192 ( 1.475 0.000 -2.010) 2.493 3.653 ( -9.585 -0.000 -0.621) 9.605 4.026 ( 15.498 0.000 9.951) 18.417 4.745 ( -23.733 -0.000 -16.832) 29.096 4.920 ( 8.113 0.000 4.203) 9.137 5.322 ( 12.117 0.000 4.046) 12.775 5.519 ( 6.614 0.000 -2.846) 7.201 5.823 ( 2.865 0.000 2.282) 3.663 6.139 ( -3.650 -0.000 10.399) 11.021 6.930 ( -4.009 -0.000 2.784) 4.881 7.259 ( 13.690 0.000 3.420) 14.110 8.585 ( -6.844 -0.000 -8.401) 10.836 10.657 ( 2.127 0.000 0.693) 2.237 11.037 ( 1.933 0.000 -1.239) 2.296 11.048 ( 6.394 0.000 0.457) 6.410 11.890 ( 0.997 0.000 3.028) 3.188 12.691 ( -7.169 -0.000 -4.224) 8.321 13.493 ( 0.848 0.000 -3.315) 3.422 13.703 ( 2.129 0.000 1.922) 2.868 14.208 ( 0.260 0.000 -3.066) 3.077 14.258 ( 6.208 0.000 1.039) 6.294 15.207 ( -4.406 -0.000 -10.230) 11.139 18.464 ( 2.867 0.000 1.493) 3.232 23.671 ( -4.638 -0.000 -7.699) 8.988 24.657 ( 3.774 0.000 -0.087) 3.775 25.462 ( 0.443 0.000 -2.099) 2.145 25.817 ( 6.447 0.000 7.571) 9.944 26.311 ( 1.507 0.000 7.095) 7.253 26.498 ( -11.086 -0.000 1.827) 11.235 33.596 ( -1.521 -0.000 -7.934) 8.078 ======================= Grid point 188 (92/165) ======================= q-point: (-0.12 -0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( -14.805 9.209 8.374) 19.343 0.815 ( -8.469 -9.837 6.681) 14.599 0.974 ( 11.146 -4.073 -2.713) 12.174 1.233 ( 3.877 1.691 -1.603) 4.524 1.309 ( -0.137 -2.841 -1.870) 3.403 1.330 ( 0.312 -2.667 -1.308) 2.987 1.485 ( -21.831 -1.619 -5.459) 22.561 1.591 ( -0.534 0.658 0.748) 1.130 1.619 ( 2.037 0.922 1.020) 2.457 1.670 ( -3.990 -1.645 0.052) 4.316 1.813 ( -4.298 1.254 -2.086) 4.940 1.892 ( -2.875 -0.328 2.553) 3.859 2.046 ( -4.804 1.027 0.506) 4.939 2.218 ( 15.439 -0.367 4.404) 16.059 2.374 ( -11.054 -0.216 0.788) 11.084 3.304 ( -1.046 -12.952 -5.572) 14.139 3.521 ( -3.768 2.079 3.336) 5.445 4.412 ( 23.573 -9.344 7.083) 26.329 4.468 ( -16.615 -1.934 -10.660) 19.836 5.002 ( 7.396 2.009 2.021) 7.927 5.484 ( 12.233 3.780 0.003) 12.804 5.536 ( 11.421 3.016 -0.409) 11.820 5.869 ( 1.445 -1.439 0.019) 2.040 6.130 ( -3.166 1.243 8.899) 9.526 6.854 ( -7.135 1.761 2.919) 7.907 7.375 ( 6.988 1.134 -0.972) 7.146 8.405 ( -15.837 1.957 -10.439) 19.068 10.675 ( 2.479 0.995 0.486) 2.715 11.000 ( 2.993 4.950 -0.320) 5.794 11.185 ( 5.495 -6.255 -0.530) 8.342 11.905 ( 0.925 1.890 4.993) 5.418 12.655 ( -0.458 -1.950 0.323) 2.029 13.489 ( 1.862 0.526 -2.961) 3.537 13.733 ( 2.804 0.430 1.169) 3.068 14.110 ( -3.014 4.650 -2.384) 6.032 14.400 ( 2.945 -7.027 0.155) 7.620 14.985 ( -13.899 7.736 -12.738) 20.378 18.495 ( 2.540 0.548 1.640) 3.073 23.560 ( -7.215 1.474 -4.204) 8.479 24.699 ( 4.408 0.315 -0.202) 4.424 25.406 ( -0.014 5.153 -1.068) 5.263 25.998 ( 7.578 -4.733 -1.663) 9.088 26.368 ( -2.698 -0.576 7.151) 7.665 26.447 ( 1.018 -5.415 6.213) 8.304 33.504 ( -5.964 1.620 -6.959) 9.308 ======================= Grid point 196 (93/165) ======================= q-point: (-0.12 -0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -8.162 -0.000 9.343) 12.406 0.597 ( -8.710 -0.000 11.046) 14.067 1.041 ( -31.310 -0.000 6.135) 31.905 1.051 ( 11.512 0.000 -2.654) 11.814 1.261 ( 0.433 0.000 -3.313) 3.341 1.309 ( 0.739 0.000 -2.799) 2.895 1.399 ( 4.409 0.000 -0.178) 4.412 1.589 ( -2.982 -0.000 0.147) 2.986 1.619 ( 1.670 0.000 0.318) 1.700 1.664 ( -1.016 -0.000 2.017) 2.258 1.775 ( -2.938 -0.000 -0.828) 3.052 1.862 ( -3.923 -0.000 2.274) 4.534 2.048 ( 0.455 0.000 0.660) 0.801 2.226 ( -13.259 -0.000 -0.618) 13.273 2.412 ( 14.809 0.000 3.997) 15.339 3.092 ( -12.573 -0.000 -11.007) 16.710 3.480 ( -3.064 -0.000 3.792) 4.875 4.314 ( -2.418 -0.000 0.769) 2.538 4.706 ( 32.985 0.000 5.858) 33.501 5.081 ( 4.235 0.000 -4.027) 5.844 5.605 ( 3.473 0.000 -5.453) 6.465 5.709 ( 10.778 0.000 3.109) 11.217 5.854 ( 2.488 0.000 -2.511) 3.535 6.133 ( -3.718 -0.000 6.394) 7.397 6.780 ( -9.430 -0.000 2.222) 9.689 7.423 ( 1.382 0.000 -4.826) 5.019 8.191 ( -17.590 -0.000 -6.814) 18.863 10.707 ( 2.014 0.000 -1.519) 2.523 11.093 ( 3.992 0.000 -1.059) 4.130 11.171 ( 4.234 0.000 1.261) 4.418 11.963 ( 1.253 0.000 8.116) 8.212 12.662 ( 3.529 0.000 2.975) 4.615 13.512 ( 3.439 0.000 -1.869) 3.914 13.767 ( 2.509 0.000 -0.514) 2.561 14.087 ( -7.752 -0.000 -1.148) 7.836 14.353 ( 2.153 0.000 -0.999) 2.373 14.826 ( -17.255 -0.000 -11.682) 20.838 18.525 ( 1.018 0.000 0.681) 1.225 23.466 ( -8.611 -0.000 -2.028) 8.847 24.758 ( 4.586 0.000 -0.525) 4.616 25.459 ( 0.857 0.000 -2.198) 2.359 26.047 ( 8.786 0.000 -1.556) 8.922 26.296 ( -8.477 -0.000 1.995) 8.708 26.497 ( 8.121 0.000 9.612) 12.583 33.416 ( -6.874 -0.000 -3.884) 7.896 ======================= Grid point 197 (94/165) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -3.113 -0.000 7.660) 8.268 0.958 ( -0.173 -0.000 13.953) 13.954 1.096 ( -2.310 -0.000 -4.610) 5.156 1.176 ( 4.754 0.000 -2.129) 5.209 1.266 ( 1.071 0.000 -2.249) 2.491 1.292 ( 1.185 0.000 4.641) 4.790 1.398 ( 12.751 0.000 2.394) 12.973 1.535 ( -5.778 -0.000 -1.978) 6.107 1.660 ( 3.198 0.000 0.335) 3.215 1.689 ( -0.943 -0.000 2.300) 2.485 1.820 ( -5.674 -0.000 -1.590) 5.893 1.863 ( 3.061 0.000 1.791) 3.547 2.063 ( 1.124 0.000 -0.165) 1.135 2.152 ( 6.245 0.000 8.442) 10.501 2.290 ( -11.278 -0.000 -5.707) 12.640 2.845 ( 2.740 0.000 2.377) 3.628 3.419 ( -0.075 -0.000 -3.233) 3.233 4.719 ( -9.621 -0.000 -2.618) 9.971 5.032 ( 22.690 0.000 12.542) 25.926 5.149 ( -9.315 -0.000 -13.357) 16.284 5.356 ( -3.401 -0.000 -0.204) 3.408 5.513 ( 1.241 0.000 2.212) 2.536 5.617 ( -8.794 -0.000 -4.465) 9.863 6.059 ( -8.839 -0.000 -3.897) 9.660 6.700 ( -0.159 -0.000 1.066) 1.078 7.045 ( -8.677 -0.000 -9.484) 12.854 8.422 ( 13.906 0.000 5.894) 15.104 10.631 ( -1.223 -0.000 -2.024) 2.365 11.166 ( 3.007 0.000 -0.112) 3.009 11.213 ( -1.454 -0.000 0.063) 1.455 12.245 ( 0.148 0.000 8.326) 8.327 12.837 ( 2.020 0.000 3.932) 4.421 13.610 ( 3.989 0.000 1.079) 4.132 13.730 ( -2.605 -0.000 -2.033) 3.305 14.111 ( 3.520 0.000 -1.195) 3.717 14.247 ( -3.050 -0.000 -4.226) 5.212 14.619 ( 6.230 0.000 -0.913) 6.296 18.471 ( -2.769 -0.000 -1.042) 2.959 23.467 ( 0.904 0.000 3.024) 3.156 24.811 ( 2.402 0.000 -0.729) 2.510 25.468 ( 0.829 0.000 1.662) 1.858 26.076 ( 2.340 0.000 -2.073) 3.126 26.198 ( -0.865 -0.000 -1.656) 1.868 26.523 ( -9.131 -0.000 2.179) 9.388 33.473 ( 4.909 0.000 0.203) 4.913 ======================= Grid point 198 (95/165) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -0.607 -1.022 7.293) 7.389 1.021 ( -2.893 -1.735 6.645) 7.452 1.057 ( -3.170 -2.000 0.430) 3.773 1.225 ( 2.366 -2.032 -2.952) 4.294 1.263 ( 1.957 0.286 -1.497) 2.480 1.340 ( 3.441 -1.526 -1.436) 4.029 1.471 ( -1.427 0.895 0.709) 1.828 1.571 ( 9.980 -0.873 -0.073) 10.018 1.667 ( -3.520 1.643 1.640) 4.216 1.705 ( 4.613 -0.188 2.644) 5.320 1.756 ( -1.587 0.235 -4.470) 4.749 1.890 ( 0.748 -0.734 2.505) 2.715 2.030 ( 1.779 4.756 -0.820) 5.144 2.163 ( 0.829 2.737 -0.440) 2.894 2.353 ( 4.980 -7.226 5.650) 10.437 2.998 ( 1.079 -14.337 -0.572) 14.389 3.496 ( 1.446 -9.067 -2.931) 9.639 4.580 ( -10.922 4.334 5.481) 12.966 4.901 ( -19.320 0.505 -9.671) 21.612 5.119 ( 1.628 7.477 -2.858) 8.169 5.380 ( 5.228 -2.760 2.935) 6.600 5.500 ( -8.281 2.429 -0.648) 8.655 5.698 ( 14.155 -5.731 9.722) 18.103 5.926 ( -10.004 0.974 -7.129) 12.323 6.748 ( 4.080 -0.235 0.677) 4.143 6.929 ( -3.533 0.198 -5.169) 6.264 8.543 ( 7.787 1.311 0.274) 7.901 10.614 ( -1.452 -0.535 -1.236) 1.981 11.066 ( -0.703 8.985 0.498) 9.026 11.280 ( 0.513 -4.758 -0.947) 4.878 12.228 ( -1.206 5.095 7.596) 9.225 12.883 ( 4.079 0.382 2.719) 4.917 13.621 ( -0.187 1.234 -0.823) 1.495 13.682 ( -4.975 -0.022 -1.057) 5.086 14.130 ( 0.374 -0.073 -0.406) 0.557 14.273 ( -1.137 -6.966 -4.097) 8.161 14.671 ( 9.640 2.895 -4.170) 10.895 18.441 ( -1.832 0.227 -0.020) 1.846 23.500 ( 2.756 -0.015 2.010) 3.412 24.833 ( 2.802 -0.323 -1.367) 3.134 25.420 ( -0.504 6.715 1.858) 6.986 26.045 ( -0.620 2.050 -2.747) 3.483 26.242 ( 1.676 -3.428 -0.596) 3.862 26.485 ( -7.585 -4.955 4.077) 9.935 33.510 ( 3.573 0.787 -1.660) 4.017 ======================= Grid point 199 (96/165) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 2.075 -1.614 5.362) 5.971 0.976 ( -5.122 -0.020 -4.003) 6.501 1.107 ( -5.417 -3.995 7.893) 10.373 1.245 ( 0.223 -0.170 -3.267) 3.279 1.280 ( 0.481 -1.028 -2.818) 3.038 1.390 ( 3.924 -0.455 -0.875) 4.046 1.478 ( 2.390 1.048 4.104) 4.863 1.593 ( -2.122 -0.165 -0.690) 2.238 1.636 ( 2.108 -0.232 -3.154) 3.800 1.699 ( -2.769 0.783 0.291) 2.892 1.796 ( 4.397 1.016 -0.383) 4.529 1.898 ( -2.152 -0.420 1.987) 2.959 2.066 ( 16.154 1.134 1.665) 16.279 2.135 ( 2.613 2.688 -0.675) 3.810 2.515 ( 0.375 -5.122 0.215) 5.140 3.237 ( -6.620 -16.681 -6.450) 19.070 3.707 ( 3.599 -14.300 -0.523) 14.755 4.402 ( -10.730 6.324 8.538) 15.101 4.741 ( -4.351 -0.974 -2.224) 4.983 5.023 ( 1.876 4.208 -1.137) 4.745 5.307 ( -10.101 2.244 -4.692) 11.361 5.434 ( -9.511 0.265 -1.727) 9.670 5.814 ( -3.051 -0.841 -3.804) 4.949 6.008 ( 17.744 -4.025 10.932) 21.227 6.703 ( -1.634 5.086 0.921) 5.421 6.995 ( 6.766 -4.327 -0.438) 8.043 8.545 ( 0.045 1.891 -4.609) 4.982 10.613 ( -1.086 -1.590 -0.506) 1.991 10.900 ( -1.148 9.697 1.324) 9.854 11.362 ( 0.859 -5.194 -2.028) 5.642 12.117 ( -2.701 9.217 6.118) 11.387 12.921 ( 4.802 2.057 1.499) 5.435 13.561 ( -5.350 1.366 -4.159) 6.913 13.644 ( -1.474 -0.611 1.530) 2.211 14.126 ( -1.471 0.487 1.194) 1.956 14.370 ( -1.750 -7.658 -2.034) 8.114 14.688 ( 7.405 2.984 -8.007) 11.307 18.429 ( -0.197 0.165 1.238) 1.264 23.534 ( 2.645 0.308 1.423) 3.019 24.878 ( 3.774 -2.023 -2.535) 4.976 25.269 ( -1.429 10.426 1.077) 10.578 25.990 ( -3.609 0.176 -3.754) 5.210 26.325 ( 3.016 -3.207 2.835) 5.237 26.538 ( -3.244 -5.637 3.060) 7.188 33.511 ( 1.360 1.145 -2.227) 2.849 ======================= Grid point 200 (97/165) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -0.975 -1.643 1.897) 2.692 0.899 ( -2.074 2.306 -0.235) 3.110 1.087 ( -6.856 -0.005 0.430) 6.869 1.217 ( -1.504 0.586 -3.442) 3.801 1.309 ( 2.298 -2.360 -0.055) 3.295 1.422 ( -0.034 -1.517 -2.213) 2.684 1.525 ( 2.944 -1.438 3.281) 4.637 1.599 ( -4.102 0.405 -2.243) 4.693 1.626 ( 4.898 0.428 0.836) 4.987 1.684 ( -0.034 -0.213 1.200) 1.220 1.782 ( 1.086 2.611 0.084) 2.829 1.912 ( -0.689 -1.343 1.529) 2.149 2.122 ( 3.840 2.121 -0.536) 4.419 2.264 ( 11.681 -2.355 3.374) 12.384 2.496 ( -4.475 1.598 -5.343) 7.150 3.324 ( -12.813 -10.298 -5.111) 17.214 3.974 ( 2.735 -8.994 0.549) 9.416 4.293 ( 0.124 -1.567 3.733) 4.050 4.797 ( 6.929 -1.104 2.032) 7.305 4.961 ( -8.916 0.602 -3.409) 9.564 5.174 ( -4.649 4.678 -5.005) 8.280 5.284 ( -1.300 1.327 -1.728) 2.537 5.842 ( 0.078 -3.100 0.755) 3.192 6.219 ( 5.639 0.183 8.081) 9.856 6.657 ( 6.416 2.656 4.773) 8.426 7.123 ( 2.838 -4.249 -0.580) 5.142 8.464 ( -5.144 1.314 -6.539) 8.423 10.643 ( -0.362 -3.227 -0.059) 3.247 10.756 ( -0.220 7.181 2.060) 7.474 11.453 ( 1.351 -5.390 -2.578) 6.125 11.931 ( -3.660 10.848 3.279) 11.909 12.923 ( 3.506 3.765 1.154) 5.273 13.462 ( -5.094 0.840 -3.726) 6.367 13.679 ( 2.228 -1.257 3.518) 4.350 14.082 ( -2.266 2.456 -0.509) 3.380 14.465 ( -3.556 -7.702 -0.236) 8.487 14.668 ( 3.746 2.160 -8.931) 9.923 18.441 ( 1.134 -0.144 2.016) 2.318 23.557 ( 1.635 0.330 1.233) 2.074 24.956 ( 3.930 -3.369 -3.118) 6.043 25.079 ( -1.267 10.352 -0.325) 10.435 25.937 ( -4.813 -1.233 -4.077) 6.427 26.428 ( 3.618 -2.647 4.773) 6.548 26.603 ( -0.753 -3.175 1.863) 3.757 33.490 ( -0.202 0.878 -2.014) 2.207 ======================= Grid point 201 (98/165) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -13.605 4.512 1.791) 14.445 0.932 ( 4.507 0.427 0.807) 4.599 1.049 ( 3.523 -0.046 -2.909) 4.569 1.182 ( -1.135 0.271 -2.594) 2.844 1.369 ( 1.629 -0.398 0.154) 1.684 1.439 ( -1.502 -3.347 -2.344) 4.353 1.523 ( -6.390 -0.732 -3.905) 7.525 1.559 ( -0.722 -0.490 -1.187) 1.473 1.682 ( -2.942 -0.700 0.552) 3.074 1.706 ( 7.669 1.088 4.787) 9.106 1.747 ( -0.582 2.241 1.367) 2.688 1.931 ( 0.465 -0.756 0.142) 0.899 2.145 ( 3.874 1.130 2.150) 4.572 2.239 ( -15.015 0.004 -1.289) 15.071 2.507 ( 9.020 2.034 2.487) 9.575 3.316 ( -6.965 -6.067 -3.540) 9.892 4.040 ( 6.004 4.729 1.614) 7.812 4.433 ( 7.282 -2.100 -0.972) 7.641 4.784 ( -9.512 1.648 -4.005) 10.452 4.883 ( 3.176 -1.265 -1.017) 3.567 5.018 ( -6.899 -0.493 -11.385) 13.322 5.408 ( 16.869 0.480 7.853) 18.613 5.877 ( -2.015 -1.709 -1.207) 2.905 6.231 ( -2.919 0.664 9.085) 9.565 6.771 ( 9.541 -1.189 4.247) 10.511 7.179 ( -3.175 -3.660 -1.954) 5.225 8.357 ( -7.684 0.299 -5.077) 9.214 10.677 ( 0.628 2.507 0.849) 2.720 10.716 ( 0.512 -4.145 1.016) 4.299 11.518 ( 2.129 0.913 -1.864) 2.973 11.759 ( -3.139 3.536 0.766) 4.790 12.889 ( 2.790 4.791 2.177) 5.956 13.413 ( -0.783 -0.062 -1.871) 2.030 13.736 ( 1.764 -0.420 4.201) 4.575 14.018 ( -1.048 1.538 -1.983) 2.719 14.537 ( -6.572 -7.740 -2.121) 10.373 14.628 ( 2.301 2.714 -6.251) 7.193 18.470 ( 1.495 -0.518 1.863) 2.444 23.566 ( 0.218 0.329 1.109) 1.177 24.891 ( -0.314 9.188 0.350) 9.200 25.066 ( 2.914 -5.515 -4.308) 7.580 25.903 ( -3.480 -2.017 -3.648) 5.430 26.507 ( -0.323 -1.652 4.945) 5.224 26.642 ( 3.222 0.258 0.743) 3.317 33.464 ( -1.214 0.548 -1.498) 2.004 ======================= Grid point 202 (99/165) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -10.932 2.168 6.900) 13.108 0.946 ( 3.006 1.960 -0.505) 3.624 1.099 ( 4.253 1.925 -3.006) 5.553 1.164 ( 0.954 -0.487 -2.057) 2.319 1.350 ( -1.502 0.216 -0.303) 1.547 1.430 ( -5.110 -0.152 -3.651) 6.282 1.515 ( 1.030 -2.314 -0.855) 2.673 1.532 ( -1.123 1.621 0.492) 2.032 1.632 ( -5.136 1.536 -0.499) 5.383 1.716 ( -0.715 1.596 2.367) 2.943 1.761 ( 1.531 0.061 1.563) 2.189 1.948 ( -0.168 -1.365 -0.043) 1.376 2.050 ( -11.379 1.169 2.900) 11.800 2.217 ( -2.113 -1.931 3.188) 4.284 2.516 ( 0.853 2.417 1.554) 2.997 3.371 ( 5.261 -0.078 -5.328) 7.488 3.918 ( 2.172 14.880 1.373) 15.100 4.464 ( 4.958 2.578 1.603) 5.814 4.698 ( 5.446 6.006 -3.791) 8.950 4.915 ( 1.431 -1.336 -1.818) 2.672 5.046 ( 2.782 -10.043 -8.816) 13.651 5.576 ( 5.376 -1.836 2.179) 6.085 5.866 ( 0.839 -0.255 -0.967) 1.306 6.251 ( -2.770 -1.281 8.061) 8.619 6.864 ( 1.415 -0.474 2.132) 2.603 7.185 ( -4.559 -4.484 -4.442) 7.786 8.254 ( -8.122 0.239 -1.729) 8.307 10.662 ( 1.198 0.778 -0.065) 1.430 10.812 ( 0.155 -6.202 0.373) 6.215 11.424 ( 1.821 8.782 -1.616) 9.114 11.809 ( 0.367 -7.701 2.611) 8.140 12.854 ( 3.512 4.926 4.007) 7.256 13.425 ( 2.698 -0.590 -0.924) 2.912 13.752 ( -0.720 0.250 1.829) 1.982 14.016 ( 2.285 -0.688 0.460) 2.431 14.544 ( -5.102 -2.812 -10.624) 12.117 14.589 ( -2.400 0.195 1.972) 3.112 18.499 ( 0.743 -0.746 0.856) 1.357 23.554 ( -1.749 0.875 1.177) 2.283 24.773 ( 1.240 5.450 0.467) 5.609 25.174 ( 1.670 -6.491 -3.190) 7.423 25.904 ( -0.687 -2.437 -2.747) 3.736 26.498 ( -5.783 0.650 3.295) 6.687 26.676 ( 6.835 2.588 -0.025) 7.308 33.435 ( -1.674 0.527 -0.598) 1.854 ======================= Grid point 203 (100/165) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -1.223 -5.444 14.633) 15.661 0.907 ( -2.536 4.210 5.241) 7.185 1.071 ( 6.426 2.679 -3.650) 7.861 1.174 ( -1.161 -0.918 -3.720) 4.004 1.351 ( -2.339 3.833 -0.518) 4.520 1.365 ( -2.205 -0.650 1.802) 2.921 1.450 ( -0.308 5.731 2.554) 6.282 1.551 ( -2.087 -0.556 -0.558) 2.231 1.590 ( -0.086 -2.873 -1.525) 3.253 1.698 ( -0.068 0.986 2.400) 2.595 1.761 ( 0.180 0.604 0.794) 1.014 1.953 ( -4.330 1.907 3.739) 6.030 1.989 ( -1.471 -3.435 -0.238) 3.745 2.181 ( -11.243 -1.736 2.708) 11.694 2.510 ( 2.209 1.023 -2.465) 3.465 3.228 ( -0.847 15.778 -8.125) 17.768 3.727 ( 0.426 11.448 2.061) 11.640 4.524 ( 13.987 4.142 10.444) 17.940 4.728 ( 13.053 -1.086 -3.110) 13.462 4.934 ( 0.518 -0.859 -6.162) 6.243 5.254 ( 8.872 -9.502 -4.262) 13.681 5.585 ( -9.735 -4.313 -6.280) 12.362 5.893 ( 1.866 0.782 -1.523) 2.533 6.240 ( -5.838 0.492 3.934) 7.057 6.835 ( -5.261 1.574 1.992) 5.842 7.194 ( -4.883 -4.898 -8.213) 10.737 8.186 ( -2.086 0.695 3.655) 4.265 10.663 ( 0.597 0.187 -1.706) 1.817 10.924 ( 0.098 -7.142 0.572) 7.165 11.319 ( 2.816 6.049 -0.987) 6.745 11.980 ( 2.163 -8.371 6.479) 10.804 12.831 ( 2.725 4.064 4.690) 6.777 13.475 ( 4.884 -0.828 -0.394) 4.970 13.747 ( 0.118 -0.010 -0.634) 0.644 14.067 ( 2.732 -0.580 3.083) 4.160 14.455 ( -0.602 4.510 -8.101) 9.291 14.570 ( -7.565 -3.832 -0.626) 8.503 18.512 ( -0.788 -0.695 -0.439) 1.139 23.512 ( -3.279 1.543 1.955) 4.117 24.745 ( 2.956 1.156 0.461) 3.207 25.288 ( 0.892 -6.807 -1.175) 6.965 25.945 ( 2.092 -2.709 -1.929) 3.928 26.406 ( -6.519 3.264 1.126) 7.376 26.683 ( 3.978 3.700 -1.047) 5.533 33.412 ( -0.534 0.559 0.918) 1.200 ======================= Grid point 204 (101/165) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -2.160 -3.813 10.467) 11.347 0.897 ( 3.315 1.122 13.206) 13.662 1.112 ( 7.156 1.694 -2.987) 7.937 1.153 ( -0.665 -0.727 -2.006) 2.234 1.245 ( -3.596 3.541 5.422) 7.408 1.324 ( 2.517 5.032 1.616) 5.853 1.370 ( -3.431 0.938 -2.126) 4.144 1.592 ( -2.926 -0.580 -1.211) 3.219 1.605 ( 3.367 -2.038 -0.359) 3.952 1.694 ( -0.938 0.316 1.843) 2.092 1.794 ( 5.532 -0.347 2.205) 5.965 1.887 ( -5.277 1.268 2.653) 6.041 2.038 ( 1.228 -2.044 -0.973) 2.575 2.111 ( -6.999 -1.578 3.563) 8.011 2.454 ( -7.786 1.236 -6.123) 9.982 2.933 ( 1.237 13.924 -0.742) 13.999 3.530 ( -1.588 9.774 -2.812) 10.294 4.719 ( 18.592 0.539 13.418) 22.935 4.822 ( -2.100 -0.723 -3.333) 4.005 5.032 ( 17.660 -4.561 -4.085) 18.692 5.439 ( -4.316 -6.172 -5.806) 9.510 5.498 ( -5.287 -2.548 -5.804) 8.255 5.798 ( -9.772 4.012 -5.654) 11.982 6.158 ( -8.265 0.502 0.055) 8.280 6.749 ( -5.772 1.840 1.675) 6.285 7.154 ( -7.645 -2.757 -10.443) 13.233 8.248 ( 10.146 -0.053 8.223) 13.060 10.652 ( -0.434 0.196 -2.418) 2.464 11.055 ( 1.235 -7.247 0.751) 7.390 11.264 ( 1.960 4.019 -0.393) 4.489 12.153 ( 1.813 -5.420 8.600) 10.326 12.819 ( 1.276 1.937 4.305) 4.890 13.546 ( 5.640 -0.696 0.521) 5.706 13.748 ( 0.483 -0.017 -1.958) 2.017 14.095 ( 1.662 1.141 1.927) 2.789 14.337 ( -0.730 5.100 -5.262) 7.364 14.569 ( -2.291 -3.298 -0.984) 4.134 18.501 ( -2.307 -0.384 -1.237) 2.645 23.468 ( -2.162 0.987 3.121) 3.923 24.779 ( 3.059 -0.546 -0.215) 3.115 25.402 ( 1.028 -5.405 0.734) 5.551 26.016 ( 3.538 -2.884 -1.758) 4.891 26.281 ( -4.691 4.213 -0.698) 6.344 26.623 ( -3.153 3.443 -0.711) 4.722 33.423 ( 2.809 0.076 1.774) 3.323 ======================= Grid point 206 (102/165) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 0.555 0.000 7.261) 7.282 0.964 ( -6.331 -0.000 -4.662) 7.862 1.031 ( -1.613 -0.000 10.357) 10.482 1.197 ( -1.021 -0.000 -3.333) 3.485 1.257 ( -0.118 -0.000 -2.277) 2.280 1.395 ( 6.622 0.000 0.123) 6.623 1.496 ( 3.946 0.000 3.261) 5.119 1.605 ( -5.627 -0.000 -1.260) 5.766 1.654 ( -0.488 -0.000 -5.469) 5.491 1.695 ( -0.664 -0.000 3.228) 3.295 1.789 ( 4.521 0.000 0.603) 4.561 1.930 ( 3.583 0.000 1.431) 3.858 2.132 ( -2.590 -0.000 2.613) 3.679 2.138 ( 7.144 0.000 -3.115) 7.794 2.414 ( 11.262 0.000 1.787) 11.403 2.870 ( -1.288 -0.000 -0.334) 1.331 3.442 ( 4.571 0.000 -3.396) 5.695 4.512 ( -16.669 -0.000 9.258) 19.067 4.719 ( -6.571 -0.000 -4.284) 7.844 5.106 ( -11.917 -0.000 -6.997) 13.819 5.332 ( 0.633 0.000 -2.294) 2.380 5.477 ( -5.007 -0.000 4.594) 6.796 5.784 ( -9.567 -0.000 -8.241) 12.627 5.930 ( 21.972 0.000 12.791) 25.424 6.829 ( 7.355 0.000 0.809) 7.399 6.876 ( -2.227 -0.000 -0.397) 2.262 8.586 ( 0.008 0.000 -4.846) 4.846 10.589 ( -1.591 -0.000 -0.567) 1.689 11.156 ( -4.201 -0.000 0.947) 4.307 11.212 ( 1.937 0.000 -1.662) 2.553 12.277 ( -2.811 -0.000 6.182) 6.791 12.961 ( 7.290 0.000 0.891) 7.344 13.595 ( -5.710 -0.000 -2.341) 6.171 13.634 ( -2.990 -0.000 0.710) 3.073 14.155 ( 2.239 0.000 -2.571) 3.409 14.172 ( -0.917 -0.000 -1.175) 1.490 14.752 ( 4.825 0.000 -6.117) 7.791 18.432 ( -0.570 -0.000 0.937) 1.097 23.548 ( 4.473 0.000 0.609) 4.514 24.851 ( 2.534 0.000 -1.866) 3.147 25.482 ( -0.718 -0.000 1.670) 1.818 25.993 ( -8.865 -0.000 -2.705) 9.269 26.269 ( 8.387 0.000 -1.621) 8.542 26.399 ( -4.690 -0.000 8.217) 9.462 33.536 ( 1.786 0.000 -3.297) 3.750 ======================= Grid point 207 (103/165) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 3.573 -1.313 6.096) 7.187 0.889 ( -5.710 -1.541 -4.313) 7.320 1.067 ( -0.762 -0.919 7.305) 7.402 1.180 ( -2.695 -1.526 -3.480) 4.659 1.250 ( -0.949 -0.920 -2.687) 2.994 1.437 ( 2.541 1.657 0.554) 3.084 1.503 ( -6.218 -0.149 -2.435) 6.679 1.574 ( 3.006 -1.239 1.100) 3.432 1.625 ( -1.544 0.360 0.032) 1.586 1.701 ( 0.123 0.125 1.912) 1.920 1.848 ( 5.064 -0.554 -0.955) 5.183 1.912 ( -1.240 3.073 1.327) 3.570 2.166 ( 1.789 0.605 -3.806) 4.249 2.175 ( 2.305 -2.736 5.787) 6.803 2.541 ( 11.053 0.916 -2.802) 11.439 2.938 ( -3.235 -10.016 -2.639) 10.851 3.556 ( 5.955 -8.706 -3.116) 10.998 4.346 ( -13.723 1.690 6.098) 15.112 4.730 ( 5.399 -1.847 0.471) 5.725 4.932 ( -15.203 -1.437 -8.968) 17.709 5.339 ( 1.479 1.577 4.181) 4.707 5.400 ( -1.422 7.069 1.723) 7.414 5.708 ( -5.399 -4.903 -3.335) 8.020 6.202 ( 16.974 -0.644 9.136) 19.287 6.796 ( 1.173 5.052 2.957) 5.970 6.967 ( 2.227 -5.113 1.289) 5.724 8.517 ( -5.402 1.227 -7.289) 9.156 10.578 ( -1.256 -0.829 -0.007) 1.505 11.029 ( -3.628 7.555 1.106) 8.453 11.275 ( 0.087 -4.774 -2.042) 5.193 12.217 ( -4.723 5.057 4.262) 8.127 13.023 ( 7.198 1.858 -1.887) 7.670 13.497 ( -7.492 0.917 -3.456) 8.302 13.641 ( 2.033 -0.736 2.614) 3.392 14.133 ( -0.073 1.234 0.400) 1.299 14.239 ( 0.168 -5.506 -1.981) 5.854 14.733 ( -0.298 1.430 -6.642) 6.800 18.437 ( 0.307 -0.096 1.714) 1.743 23.587 ( 4.061 0.957 0.030) 4.172 24.877 ( 2.885 -1.061 -3.066) 4.342 25.412 ( -1.227 7.492 0.972) 7.654 25.890 ( -9.796 -1.576 -1.965) 10.115 26.356 ( 5.851 -0.361 3.011) 6.590 26.454 ( 1.371 -4.915 3.940) 6.447 33.524 ( 0.180 0.807 -3.272) 3.375 ======================= Grid point 208 (104/165) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -2.029 1.399 -0.962) 2.645 0.907 ( 2.605 -2.746 0.989) 3.912 1.082 ( 0.964 1.916 4.542) 5.023 1.157 ( -3.075 -1.579 -6.175) 7.077 1.267 ( 0.018 -3.746 -0.059) 3.747 1.401 ( -2.446 1.467 -0.732) 2.945 1.477 ( -4.911 -3.314 -1.416) 6.092 1.545 ( -2.851 1.738 -1.191) 3.545 1.657 ( -0.080 -1.033 2.281) 2.506 1.715 ( 1.853 -0.131 -0.857) 2.046 1.857 ( 1.321 2.668 2.819) 4.100 1.905 ( 2.172 -0.546 -0.435) 2.281 2.162 ( 1.059 -0.090 -1.068) 1.507 2.220 ( -6.609 -0.749 3.574) 7.550 2.579 ( 3.936 2.009 -1.749) 4.752 3.057 ( -1.730 -9.281 -3.885) 10.209 3.816 ( 6.726 -14.403 -1.718) 15.989 4.304 ( 5.268 -1.700 3.675) 6.645 4.760 ( -14.828 -1.777 -9.439) 17.667 4.854 ( 8.057 -2.492 0.294) 8.439 5.176 ( -6.973 8.186 -3.305) 11.249 5.455 ( 12.818 2.185 8.182) 15.363 5.756 ( -2.865 -5.642 0.565) 6.353 6.326 ( 3.554 3.599 6.087) 7.914 6.778 ( 5.010 1.828 4.212) 6.796 7.050 ( -2.561 -4.252 1.288) 5.128 8.395 ( -7.096 1.562 -5.927) 9.377 10.592 ( -0.754 -2.106 0.247) 2.251 10.872 ( -2.990 7.347 1.701) 8.112 11.354 ( 0.232 -6.059 -2.496) 6.557 12.053 ( -6.296 8.809 1.235) 10.898 13.034 ( 5.888 3.745 -3.111) 7.640 13.415 ( -3.523 -0.058 -1.953) 4.029 13.707 ( 3.545 -1.127 3.851) 5.354 14.095 ( -1.776 2.363 -0.988) 3.117 14.319 ( -1.410 -5.500 -1.461) 5.863 14.675 ( -1.737 0.683 -4.621) 4.984 18.453 ( 0.445 -0.442 1.874) 1.976 23.603 ( 2.846 1.578 0.233) 3.262 24.922 ( 2.527 -2.784 -4.471) 5.841 25.243 ( -1.580 10.724 -0.032) 10.840 25.830 ( -6.674 -2.464 -1.137) 7.204 26.427 ( 0.069 -2.228 5.537) 5.969 26.580 ( 6.339 -3.656 0.412) 7.330 33.495 ( -0.456 1.083 -2.303) 2.585 ======================= Grid point 209 (105/165) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -3.475 6.663 -0.865) 7.564 0.972 ( 3.636 -1.100 -1.177) 3.977 1.111 ( 5.238 0.604 2.664) 5.908 1.132 ( 0.482 -1.455 -5.240) 5.460 1.344 ( -3.473 -3.095 -1.277) 4.824 1.374 ( 0.942 -1.699 1.843) 2.678 1.436 ( -5.564 0.331 -3.257) 6.456 1.513 ( -2.222 -2.498 -0.255) 3.353 1.659 ( -1.792 0.214 1.867) 2.596 1.719 ( -1.344 -0.563 -1.225) 1.904 1.855 ( 2.657 2.858 4.262) 5.779 1.913 ( -1.645 -0.230 -1.859) 2.493 2.095 ( -12.890 1.581 0.872) 13.016 2.180 ( -0.975 -0.445 3.431) 3.595 2.546 ( -5.329 -0.303 -1.322) 5.499 3.226 ( 11.422 -6.841 -1.042) 13.355 4.093 ( 9.261 -7.863 -1.715) 12.269 4.513 ( 13.098 -3.213 3.416) 13.912 4.631 ( -7.481 -5.720 -6.201) 11.275 4.940 ( 9.170 4.395 -1.781) 10.324 4.971 ( -4.597 4.820 -5.898) 8.897 5.546 ( 0.299 0.015 1.629) 1.656 5.836 ( 3.711 -3.155 0.451) 4.891 6.262 ( -4.457 3.823 7.648) 9.643 6.848 ( 4.960 -0.662 2.003) 5.390 7.061 ( -7.041 -2.913 0.920) 7.675 8.284 ( -5.848 1.438 -1.760) 6.274 10.633 ( -0.701 -3.593 -0.093) 3.662 10.756 ( -1.471 4.486 1.906) 5.092 11.464 ( 1.411 -7.283 -1.773) 7.627 11.828 ( -6.372 9.444 -1.144) 11.450 13.012 ( 5.265 4.532 -1.617) 7.133 13.408 ( 1.265 -0.721 -0.811) 1.666 13.754 ( -0.773 -0.377 3.316) 3.426 14.036 ( 0.537 1.853 -1.485) 2.434 14.370 ( -3.344 -4.573 -2.319) 6.121 14.645 ( -0.016 0.481 -1.750) 1.815 18.472 ( -0.175 -0.804 1.259) 1.504 23.599 ( 1.402 1.827 0.539) 2.365 24.983 ( 0.764 -4.716 -5.276) 7.118 25.050 ( -0.473 10.423 -0.485) 10.445 25.820 ( -2.653 -2.551 -0.121) 3.683 26.466 ( -3.594 -2.088 4.608) 6.206 26.696 ( 7.137 -1.420 -0.725) 7.313 33.464 ( -0.469 1.134 -1.117) 1.659 ======================= Grid point 210 (106/165) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -1.064 6.940 2.884) 7.591 1.020 ( 3.829 0.707 0.398) 3.914 1.134 ( 0.723 -1.133 -3.216) 3.485 1.159 ( 0.662 2.979 -1.890) 3.589 1.309 ( -3.894 -2.361 -0.032) 4.553 1.368 ( 0.479 -1.022 0.446) 1.214 1.472 ( 0.675 -2.889 0.132) 2.969 1.541 ( 0.349 -1.366 -0.622) 1.541 1.624 ( -2.685 2.196 0.621) 3.524 1.706 ( -1.982 -0.435 0.050) 2.029 1.821 ( -2.299 2.277 2.192) 3.908 1.876 ( -3.208 -1.173 0.436) 3.443 2.001 ( -4.247 0.202 2.939) 5.169 2.149 ( -9.152 -0.146 3.765) 9.897 2.510 ( -0.834 -0.997 -4.034) 4.238 3.470 ( 15.938 -2.610 1.308) 16.204 4.135 ( 2.122 9.760 -3.640) 10.630 4.618 ( 12.891 -1.565 1.966) 13.134 4.735 ( -10.039 -2.554 -1.441) 10.458 4.855 ( 3.878 -0.837 -4.564) 6.047 5.053 ( 21.565 -0.034 -1.117) 21.594 5.463 ( -14.400 -1.929 -7.000) 16.127 5.896 ( 2.034 0.514 -0.229) 2.111 6.227 ( -4.455 -0.970 6.219) 7.711 6.889 ( 0.865 0.781 1.434) 1.848 7.020 ( -9.902 -4.086 -2.577) 11.017 8.223 ( -0.671 1.509 3.025) 3.447 10.676 ( -0.663 -1.232 -0.885) 1.656 10.722 ( -0.986 -2.228 1.258) 2.742 11.561 ( 2.985 4.662 -3.007) 6.300 11.676 ( -4.380 -5.692 2.507) 7.607 12.978 ( 2.450 4.666 0.388) 5.285 13.446 ( 3.699 -0.966 -0.702) 3.887 13.745 ( -1.423 -0.121 0.915) 1.696 14.052 ( 3.655 -0.507 1.891) 4.146 14.385 ( -3.698 -3.677 -3.603) 6.338 14.624 ( 0.753 2.480 -1.168) 2.843 18.483 ( -1.312 -0.994 0.199) 1.658 23.574 ( -0.426 2.206 0.928) 2.431 24.893 ( 0.742 7.481 -0.824) 7.563 25.062 ( -0.046 -6.220 -4.219) 7.516 25.854 ( 0.859 -2.533 0.590) 2.739 26.456 ( -5.120 -0.332 3.160) 6.026 26.762 ( 4.924 0.696 -2.062) 5.383 33.440 ( 0.059 1.114 0.060) 1.117 ======================= Grid point 211 (107/165) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 3.719 -0.614 11.826) 12.412 0.982 ( -1.854 3.362 4.872) 6.203 1.122 ( -0.960 -1.212 -3.811) 4.113 1.157 ( 6.166 0.939 -2.362) 6.670 1.327 ( -0.426 -1.346 -1.445) 2.020 1.401 ( 1.053 2.919 3.594) 4.748 1.507 ( -0.628 -3.013 -2.205) 3.786 1.527 ( 0.436 3.151 -0.455) 3.213 1.576 ( -0.066 0.538 1.209) 1.325 1.693 ( -1.810 -0.212 1.079) 2.118 1.791 ( -0.940 0.196 -0.564) 1.114 1.918 ( 2.266 -3.231 3.049) 4.987 1.969 ( -2.352 1.436 2.989) 4.066 2.052 ( -11.023 -1.446 0.349) 11.123 2.504 ( 0.868 1.450 -1.419) 2.207 3.536 ( 11.077 14.354 -4.028) 18.573 3.930 ( -0.449 12.271 0.982) 12.318 4.626 ( -12.629 -5.125 -3.771) 14.141 4.803 ( 12.566 -0.973 1.986) 12.759 4.941 ( 11.899 0.393 2.653) 12.197 5.278 ( -1.758 -3.099 -7.958) 8.719 5.356 ( 5.883 -4.764 -1.933) 7.813 5.859 ( -6.551 0.516 -2.400) 6.996 6.185 ( -8.727 0.455 1.147) 8.814 6.841 ( -4.672 3.165 3.576) 6.681 6.992 ( -7.388 -6.284 -9.028) 13.250 8.260 ( 7.868 0.881 6.381) 10.168 10.666 ( -0.202 0.638 -1.118) 1.303 10.794 ( -1.826 -7.086 0.099) 7.319 11.440 ( 1.219 6.942 -2.283) 7.409 11.857 ( 0.802 -11.432 6.407) 13.130 12.913 ( -1.688 3.583 1.472) 4.226 13.510 ( 5.102 -1.289 -0.492) 5.286 13.745 ( 0.045 -0.200 -0.744) 0.772 14.121 ( 3.237 -0.732 4.212) 5.362 14.405 ( 0.693 -3.715 -4.551) 5.916 14.557 ( -0.335 5.306 -2.221) 5.762 18.478 ( -2.389 -0.923 -0.636) 2.639 23.528 ( -1.680 2.462 1.739) 3.451 24.818 ( 3.085 3.820 -0.688) 4.958 25.159 ( -0.939 -7.962 -2.159) 8.303 25.920 ( 2.899 -2.502 0.454) 3.856 26.399 ( -4.579 2.021 1.769) 5.309 26.750 ( 0.206 2.948 -3.088) 4.274 33.434 ( 1.534 0.670 0.951) 1.925 ======================= Grid point 212 (108/165) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 2.003 -1.387 10.765) 11.037 1.010 ( 5.669 0.986 8.399) 10.181 1.099 ( -2.056 -0.280 -3.991) 4.498 1.206 ( 4.898 -0.078 -1.641) 5.166 1.302 ( -3.020 5.515 2.339) 6.709 1.347 ( 1.602 -0.670 -3.072) 3.528 1.470 ( 3.962 4.774 1.032) 6.289 1.540 ( -1.159 0.077 -0.115) 1.167 1.611 ( 4.569 -2.382 0.044) 5.153 1.682 ( -2.461 -0.414 1.806) 3.080 1.786 ( -2.101 -1.780 -3.657) 4.577 1.915 ( -1.269 2.991 3.869) 5.052 1.985 ( -4.255 -2.984 -1.687) 5.464 2.053 ( 3.607 -4.371 3.173) 6.495 2.447 ( -0.220 6.125 2.075) 6.471 3.277 ( 5.807 21.658 -3.387) 22.678 3.708 ( -1.435 13.613 -1.574) 13.778 4.598 ( -13.810 -7.576 0.528) 15.761 4.952 ( 6.774 -6.896 -3.510) 10.284 5.086 ( -2.143 -1.407 -4.119) 4.851 5.209 ( 5.327 -0.932 4.907) 7.302 5.545 ( 7.349 -1.884 0.251) 7.591 5.729 ( -6.567 4.081 -2.326) 8.074 6.054 ( -11.873 0.333 -3.140) 12.285 6.759 ( -2.559 2.344 1.755) 3.889 6.974 ( -5.340 -3.751 -8.882) 11.022 8.398 ( 12.129 -0.871 5.342) 13.282 10.643 ( -0.846 0.746 -1.569) 1.933 10.915 ( -1.064 -9.321 0.515) 9.396 11.352 ( 1.414 4.976 -1.398) 5.359 12.075 ( 0.608 -9.592 8.313) 12.708 12.862 ( -0.720 1.383 2.359) 2.827 13.580 ( 3.827 -1.358 -0.457) 4.087 13.730 ( -2.615 -0.045 -1.655) 3.096 14.144 ( -0.250 1.203 2.188) 2.509 14.427 ( -0.401 7.780 -4.509) 9.001 14.515 ( 8.165 -4.983 -2.622) 9.918 18.460 ( -2.656 -0.611 -0.695) 2.812 23.489 ( -0.351 1.486 2.549) 2.972 24.814 ( 3.640 1.129 -1.024) 3.946 25.287 ( -0.743 -8.847 0.487) 8.891 25.994 ( 3.019 -2.517 -0.831) 4.018 26.316 ( -2.452 3.866 0.460) 4.602 26.644 ( -5.454 5.165 -1.361) 7.634 33.462 ( 3.435 -0.361 0.478) 3.487 ======================= Grid point 215 (109/165) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -5.728 -0.000 -4.709) 7.415 0.859 ( 7.558 0.000 6.643) 10.062 1.075 ( 0.292 0.000 1.011) 1.052 1.145 ( -1.267 -0.000 -1.339) 1.843 1.222 ( -0.978 -0.000 -2.994) 3.150 1.395 ( -7.931 -0.000 -0.060) 7.932 1.462 ( -2.188 -0.000 1.019) 2.414 1.592 ( -1.403 -0.000 1.390) 1.975 1.619 ( 0.433 0.000 1.920) 1.968 1.709 ( 0.738 0.000 0.216) 0.769 1.889 ( 3.250 0.000 -3.651) 4.888 1.912 ( -2.973 -0.000 0.150) 2.977 2.160 ( 0.388 0.000 -2.657) 2.685 2.201 ( 1.092 0.000 7.713) 7.790 2.619 ( 0.747 0.000 -3.923) 3.993 2.839 ( 1.578 0.000 0.427) 1.634 3.531 ( 6.899 0.000 -5.618) 8.897 4.291 ( -0.464 -0.000 1.571) 1.638 4.719 ( -13.284 -0.000 -9.477) 16.318 4.795 ( 10.172 0.000 1.324) 10.258 5.382 ( -1.080 -0.000 8.362) 8.432 5.543 ( 4.484 0.000 6.847) 8.184 5.549 ( -6.106 -0.000 -4.875) 7.813 6.394 ( 12.963 0.000 5.790) 14.198 6.881 ( -2.924 -0.000 0.876) 3.052 6.910 ( 0.834 0.000 5.691) 5.751 8.427 ( -7.323 -0.000 -6.672) 9.907 10.561 ( -0.839 -0.000 0.521) 0.988 11.047 ( -6.838 -0.000 1.213) 6.945 11.219 ( 0.330 0.000 -2.531) 2.553 12.211 ( -7.122 -0.000 2.114) 7.430 13.106 ( 8.461 0.000 -6.036) 10.393 13.409 ( -6.863 -0.000 -2.543) 7.319 13.684 ( 4.597 0.000 1.942) 4.990 14.163 ( -0.758 -0.000 0.288) 0.811 14.185 ( 1.798 0.000 -0.003) 1.798 14.690 ( -4.512 -0.000 -3.566) 5.751 18.445 ( 0.006 0.000 1.833) 1.833 23.636 ( 3.648 0.000 -0.839) 3.744 24.878 ( 1.672 0.000 -4.231) 4.549 25.475 ( -0.477 -0.000 0.200) 0.517 25.756 ( -10.012 -0.000 0.085) 10.013 26.403 ( -2.284 -0.000 6.886) 7.255 26.482 ( 11.322 0.000 -0.311) 11.327 33.516 ( -0.371 -0.000 -3.038) 3.061 ======================= Grid point 216 (110/165) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -2.363 -3.188 -4.352) 5.889 0.948 ( 5.623 1.352 3.099) 6.561 1.096 ( 1.287 -1.468 -2.671) 3.308 1.136 ( 1.263 -0.002 1.143) 1.704 1.214 ( 0.436 -2.333 -0.414) 2.409 1.361 ( -5.856 -1.192 1.096) 6.076 1.419 ( -1.226 1.413 2.241) 2.919 1.535 ( -6.262 1.517 -0.212) 6.446 1.649 ( 0.542 -0.684 2.483) 2.632 1.711 ( -0.296 0.468 -1.474) 1.574 1.853 ( -4.089 -1.696 -1.157) 4.576 1.921 ( 0.847 0.387 -1.692) 1.932 2.167 ( -2.049 0.853 1.140) 2.495 2.176 ( -5.151 0.791 0.870) 5.283 2.537 ( -9.737 0.275 -3.546) 10.366 2.970 ( 9.414 -7.242 3.021) 12.255 3.666 ( 7.478 -10.072 -5.685) 13.773 4.366 ( 10.726 -2.202 -2.801) 11.302 4.593 ( -5.252 -0.440 -5.674) 7.744 4.948 ( 14.828 -0.376 2.825) 15.099 5.272 ( -3.084 9.764 2.116) 10.455 5.564 ( -3.227 0.599 1.358) 3.552 5.615 ( -0.441 -9.240 2.558) 9.598 6.471 ( 4.580 5.905 4.943) 8.960 6.839 ( -0.239 0.513 2.838) 2.894 6.959 ( -4.670 -3.342 4.127) 7.072 8.327 ( -5.546 0.855 -2.894) 6.314 10.564 ( -0.312 -0.754 0.738) 1.100 10.934 ( -5.681 4.733 1.246) 7.498 11.249 ( -0.863 -4.616 -2.317) 5.236 12.088 ( -8.533 4.737 -0.719) 9.785 13.144 ( 8.558 3.040 -7.606) 11.846 13.366 ( -1.636 -1.547 -0.892) 2.422 13.732 ( 1.643 -0.582 0.585) 1.838 14.117 ( -1.644 2.634 -1.014) 3.267 14.234 ( -1.537 -3.682 -0.333) 4.004 14.651 ( -0.544 0.172 2.273) 2.344 18.451 ( -0.701 -0.376 1.494) 1.693 23.656 ( 2.660 1.182 -0.760) 3.008 24.877 ( -0.399 -1.598 -5.590) 5.828 25.387 ( -1.093 8.496 -0.620) 8.588 25.716 ( -4.821 -3.893 1.318) 6.335 26.409 ( -2.589 -0.881 5.233) 5.905 26.617 ( 9.334 -2.251 0.187) 9.603 33.497 ( -0.089 0.646 -1.993) 2.097 ======================= Grid point 217 (111/165) ======================= q-point: ( 0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 0.347 1.212 -4.471) 4.646 0.965 ( 1.032 -0.388 -1.962) 2.251 1.118 ( 3.172 -0.281 -1.767) 3.642 1.189 ( 4.272 -1.409 2.639) 5.216 1.275 ( -4.308 0.946 1.001) 4.523 1.344 ( 3.579 -5.509 1.300) 6.697 1.390 ( -5.538 1.177 -1.811) 5.945 1.453 ( -3.153 -0.492 1.767) 3.647 1.656 ( -1.476 0.619 1.629) 2.284 1.685 ( -2.333 -0.423 0.604) 2.447 1.866 ( -1.998 -2.550 0.460) 3.272 1.880 ( -4.273 1.321 -2.238) 5.002 2.024 ( -8.688 2.192 -0.842) 9.000 2.153 ( -7.791 0.254 1.652) 7.968 2.470 ( 1.460 -0.771 -2.430) 2.938 3.248 ( 13.294 -9.171 2.610) 16.360 3.967 ( 8.882 -17.231 -3.355) 19.674 4.476 ( -0.477 -2.768 -5.640) 6.301 4.597 ( 6.326 -1.054 -0.807) 6.464 5.066 ( 6.023 8.262 2.805) 10.602 5.147 ( 13.860 3.666 -0.397) 14.343 5.442 ( -14.419 -0.045 -6.292) 15.732 5.810 ( 4.697 -7.822 2.954) 9.590 6.357 ( -3.462 9.759 6.570) 12.263 6.856 ( -1.239 -1.498 -2.247) 2.971 6.950 ( -8.639 -2.108 5.616) 10.518 8.274 ( -0.170 1.329 2.110) 2.499 10.583 ( -0.460 -1.577 0.450) 1.703 10.813 ( -3.199 4.460 1.597) 5.716 11.331 ( -1.094 -7.646 -1.133) 7.806 11.893 ( -6.805 7.459 -2.861) 10.494 13.130 ( 5.618 4.446 -6.101) 9.410 13.401 ( 2.538 -1.878 -1.159) 3.363 13.737 ( -2.017 -0.372 0.924) 2.249 14.058 ( -0.996 1.187 -1.487) 2.148 14.262 ( -4.105 -4.231 -1.656) 6.123 14.686 ( 5.417 1.629 5.205) 7.687 18.453 ( -1.534 -0.700 0.752) 1.846 23.649 ( 1.542 2.054 -0.360) 2.594 24.880 ( -2.652 -3.665 -6.027) 7.536 25.216 ( 0.089 10.237 -1.274) 10.317 25.763 ( -0.026 -3.565 2.132) 4.154 26.415 ( -3.688 -1.453 3.871) 5.540 26.736 ( 6.188 -1.800 -0.284) 6.451 33.479 ( 0.533 1.068 -0.898) 1.494 ======================= Grid point 218 (112/165) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 0.239 6.240 -2.225) 6.629 0.989 ( -0.820 -2.925 -4.229) 5.207 1.130 ( -5.264 0.436 -0.473) 5.303 1.186 ( 1.539 1.869 -1.084) 2.653 1.268 ( 2.324 -1.910 1.134) 3.215 1.372 ( 2.472 -2.798 -1.020) 3.870 1.445 ( -2.877 -0.948 2.575) 3.976 1.504 ( 4.523 -4.587 2.079) 6.769 1.626 ( -2.324 0.902 1.148) 2.745 1.684 ( -0.658 -0.281 1.681) 1.827 1.785 ( -3.484 1.587 -0.270) 3.838 1.887 ( -0.001 -0.385 -0.575) 0.692 1.952 ( -6.022 -1.584 1.118) 6.326 2.040 ( -9.230 0.270 -2.757) 9.637 2.544 ( 9.945 1.055 3.021) 10.447 3.550 ( 12.989 -8.822 2.753) 15.941 4.275 ( 8.659 -0.561 -2.067) 8.920 4.449 ( -13.851 -8.988 -2.896) 16.763 4.610 ( -0.522 -1.963 -10.197) 10.397 5.057 ( 15.401 5.390 8.038) 18.189 5.233 ( -15.965 0.175 -8.740) 18.202 5.315 ( 18.866 1.291 0.069) 18.910 5.923 ( 1.915 1.230 0.449) 2.320 6.191 ( -8.684 3.639 5.079) 10.698 6.808 ( -12.542 -3.740 -5.638) 14.250 6.922 ( -1.564 0.706 4.515) 4.830 8.301 ( 6.508 1.424 5.126) 8.406 10.608 ( -1.371 -2.670 -0.197) 3.008 10.738 ( -1.021 2.716 1.442) 3.241 11.473 ( -1.312 -10.856 2.151) 11.144 11.700 ( -2.157 8.004 -3.628) 9.049 13.052 ( -1.703 4.773 -4.483) 6.766 13.463 ( 4.440 -1.672 -0.772) 4.807 13.734 ( -0.394 -0.440 0.778) 0.977 14.058 ( 0.019 -1.820 0.453) 1.876 14.288 ( -1.851 -4.193 -2.562) 5.250 14.719 ( 6.275 4.632 3.171) 8.420 18.447 ( -2.218 -0.810 0.046) 2.362 23.617 ( 0.024 2.764 0.162) 2.769 24.896 ( -3.688 -4.936 -4.420) 7.583 25.065 ( 2.356 8.010 -2.311) 8.663 25.842 ( 3.060 -2.755 2.164) 4.652 26.408 ( -3.987 -1.001 3.073) 5.132 26.794 ( 2.044 -0.131 -1.359) 2.458 33.467 ( 1.172 1.190 -0.138) 1.676 ======================= Grid point 219 (113/165) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 5.196 1.170 6.526) 8.423 1.011 ( 3.530 -1.024 0.464) 3.704 1.077 ( -2.546 -0.620 -2.795) 3.831 1.205 ( 2.997 -0.039 -2.409) 3.845 1.296 ( -1.606 -1.883 -1.989) 3.175 1.420 ( -5.262 -1.645 1.314) 5.667 1.493 ( 7.661 -2.195 1.052) 8.038 1.572 ( 0.425 2.205 -0.487) 2.298 1.590 ( 1.151 0.438 2.134) 2.464 1.680 ( -1.370 -0.126 1.234) 1.848 1.764 ( 0.277 0.756 -0.439) 0.917 1.895 ( -7.820 -2.537 -2.898) 8.717 1.925 ( 3.462 -2.128 -0.188) 4.068 1.980 ( -1.852 0.262 1.815) 2.606 2.626 ( 8.975 4.518 6.428) 11.928 3.782 ( 9.111 0.207 2.290) 9.397 4.137 ( 1.539 13.457 -5.612) 14.662 4.317 ( -22.294 -6.087 -4.795) 23.602 4.784 ( 8.587 -8.393 -5.799) 13.335 5.001 ( -15.496 0.501 -8.250) 17.562 5.239 ( 17.351 1.501 11.014) 20.606 5.475 ( 5.828 -1.617 -0.076) 6.049 5.855 ( 3.182 6.180 1.458) 7.102 6.075 ( -12.671 0.020 -1.302) 12.737 6.710 ( -14.239 -4.890 -2.951) 15.342 6.936 ( 5.756 1.516 -0.519) 5.975 8.393 ( 9.440 0.597 4.102) 10.310 10.645 ( -1.216 -3.560 -0.173) 3.766 10.705 ( -0.878 0.508 0.421) 1.098 11.544 ( -1.604 5.087 -1.674) 5.591 11.693 ( 2.105 -11.065 4.421) 12.100 12.932 ( -4.539 3.026 -1.792) 5.742 13.536 ( 4.382 -1.433 -0.925) 4.703 13.728 ( -2.565 -0.081 -0.438) 2.604 14.104 ( -1.636 -3.310 1.776) 4.098 14.361 ( 5.266 -4.167 -2.114) 7.040 14.681 ( 4.631 7.374 -1.334) 8.809 18.436 ( -2.242 -0.746 -0.060) 2.364 23.565 ( -1.038 2.924 1.017) 3.265 24.908 ( 1.082 1.322 -1.158) 2.063 25.017 ( -0.078 -3.269 -3.740) 4.968 25.928 ( 4.232 -1.931 0.895) 4.737 26.389 ( -2.927 0.436 2.741) 4.034 26.768 ( -2.379 2.144 -1.896) 3.721 33.466 ( 1.787 0.682 0.059) 1.914 ======================= Grid point 220 (114/165) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 4.048 0.354 7.168) 8.240 1.035 ( -4.493 -0.745 -3.022) 5.466 1.130 ( 9.268 -0.284 4.190) 10.175 1.216 ( 0.179 -0.601 -2.345) 2.427 1.310 ( -1.306 -1.665 -1.470) 2.577 1.357 ( -2.469 1.761 1.097) 3.225 1.502 ( -1.842 2.388 -1.554) 3.393 1.601 ( 1.446 -0.570 -0.104) 1.558 1.627 ( 2.303 -0.151 0.025) 2.308 1.682 ( 2.507 -0.812 2.289) 3.491 1.756 ( 3.457 1.332 -2.472) 4.453 1.884 ( 1.627 -3.054 -1.757) 3.881 1.948 ( -1.020 1.062 3.103) 3.435 2.043 ( 4.689 -3.660 -0.025) 5.948 2.612 ( 2.386 7.220 4.578) 8.876 3.621 ( -4.383 16.954 -7.233) 18.946 3.924 ( 1.195 13.780 -0.136) 13.832 4.311 ( -8.583 -11.022 3.891) 14.501 4.845 ( -11.123 -2.049 -5.719) 12.673 4.917 ( 4.497 -3.152 -3.858) 6.712 5.389 ( -5.492 -3.708 2.509) 7.086 5.481 ( 1.965 1.912 2.543) 3.739 5.868 ( 6.357 2.304 -0.679) 6.795 5.922 ( -4.302 3.139 0.925) 5.405 6.667 ( -7.903 -5.212 -1.091) 9.530 6.975 ( 8.483 2.789 -1.680) 9.086 8.494 ( 6.484 -1.013 0.001) 6.563 10.651 ( -0.320 1.650 -0.404) 1.728 10.757 ( -1.400 -7.867 0.722) 8.023 11.446 ( 1.149 5.500 -2.178) 6.026 11.927 ( -0.274 -12.077 7.139) 14.032 12.873 ( -0.644 0.091 0.853) 1.073 13.581 ( 0.882 -1.090 -2.405) 2.783 13.682 ( -4.708 0.138 -0.491) 4.736 14.128 ( -2.892 -1.805 1.590) 3.761 14.478 ( 1.871 0.074 2.832) 3.396 14.599 ( 9.116 4.088 -10.062) 14.180 18.428 ( -1.357 -0.518 0.507) 1.538 23.523 ( 0.062 1.678 1.802) 2.463 24.887 ( 4.269 3.209 -1.937) 5.681 25.114 ( -1.787 -9.716 -0.784) 9.910 25.991 ( 2.612 -1.186 -1.729) 3.350 26.355 ( -0.852 2.442 2.696) 3.736 26.666 ( -4.986 4.497 -0.240) 6.719 33.484 ( 2.046 -0.420 -0.695) 2.202 ======================= Grid point 224 (115/165) ======================= q-point: ( 0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -0.527 -0.000 -4.434) 4.466 1.019 ( 0.210 0.000 0.121) 0.242 1.112 ( 4.597 0.000 2.276) 5.130 1.154 ( 3.053 0.000 1.654) 3.473 1.191 ( 1.317 0.000 -1.970) 2.370 1.315 ( -3.563 -0.000 2.091) 4.131 1.444 ( -11.115 -0.000 -1.906) 11.278 1.444 ( -0.756 0.000 4.474) 4.538 1.670 ( 1.537 0.000 3.405) 3.736 1.727 ( 1.781 0.000 -2.202) 2.832 1.751 ( -7.171 -0.000 -2.450) 7.578 1.910 ( -2.182 -0.000 -1.629) 2.723 2.052 ( -14.285 -0.000 -5.206) 15.204 2.168 ( -5.039 -0.000 1.551) 5.273 2.470 ( 2.483 0.000 -1.447) 2.873 3.018 ( 8.337 0.000 5.640) 10.065 3.628 ( 7.480 0.000 -8.631) 11.421 4.422 ( 6.165 0.000 -7.246) 9.514 4.590 ( 6.341 0.000 0.926) 6.408 5.158 ( 19.801 0.000 2.939) 20.018 5.419 ( -6.947 -0.000 1.564) 7.121 5.462 ( 0.454 0.000 -0.735) 0.864 5.477 ( -5.784 -0.000 2.288) 6.220 6.614 ( 5.505 0.000 4.530) 7.129 6.821 ( -5.566 -0.000 5.967) 8.160 6.869 ( -9.453 -0.000 0.757) 9.483 8.298 ( -0.314 -0.000 1.614) 1.644 10.564 ( 0.531 0.000 0.974) 1.109 10.916 ( -5.454 -0.000 1.108) 5.565 11.184 ( -1.923 -0.000 -1.889) 2.696 12.026 ( -8.780 -0.000 -2.504) 9.130 13.233 ( 9.083 0.000 -12.143) 15.164 13.344 ( 1.192 0.000 1.517) 1.930 13.730 ( -0.661 -0.000 -0.827) 1.059 14.125 ( -2.466 -0.000 -0.945) 2.641 14.134 ( -7.535 -0.000 -2.113) 7.826 14.719 ( 7.776 0.000 9.219) 12.061 18.441 ( -1.487 -0.000 1.007) 1.795 23.687 ( 2.069 0.000 -1.172) 2.377 24.819 ( -3.295 -0.000 -6.009) 6.853 25.467 ( 0.020 0.000 -1.280) 1.280 25.636 ( -1.936 -0.000 2.140) 2.886 26.390 ( -3.153 -0.000 4.059) 5.140 26.694 ( 7.592 0.000 0.888) 7.644 33.499 ( 0.722 0.000 -1.327) 1.511 ======================= Grid point 225 (116/165) ======================= q-point: (-0.50 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 2.116 -3.934 -5.809) 7.329 0.968 ( -4.848 1.853 -1.250) 5.339 1.117 ( 0.076 1.040 -1.076) 1.498 1.218 ( 0.196 -1.329 -0.200) 1.358 1.266 ( 2.001 -3.677 3.124) 5.224 1.277 ( -3.719 -0.412 -1.224) 3.937 1.314 ( -5.381 -0.535 -3.512) 6.448 1.451 ( -1.209 -0.243 6.185) 6.307 1.651 ( -2.334 1.541 -0.886) 2.934 1.702 ( 3.088 0.934 3.592) 4.828 1.787 ( -0.392 -4.136 -2.798) 5.009 1.857 ( -4.154 1.717 -2.059) 4.944 1.904 ( -9.203 -1.603 -3.512) 9.980 2.082 ( -6.819 1.524 -0.849) 7.039 2.575 ( 14.687 0.702 4.021) 15.243 3.197 ( 5.931 -9.811 3.393) 11.956 3.765 ( 6.695 -11.800 -7.695) 15.598 4.399 ( -6.975 -1.311 -9.411) 11.788 4.687 ( 9.722 2.578 2.982) 10.491 5.248 ( -12.657 0.405 -7.861) 14.905 5.293 ( 2.248 5.621 1.916) 6.350 5.360 ( 15.460 5.053 3.682) 16.676 5.724 ( 6.869 -10.623 5.981) 13.993 6.542 ( -2.193 12.174 6.091) 13.789 6.736 ( -13.247 -0.932 -4.913) 14.159 6.857 ( -3.792 -5.043 6.278) 8.901 8.337 ( 5.780 0.583 4.859) 7.574 10.576 ( 0.683 0.065 0.788) 1.045 10.848 ( -2.663 2.947 1.401) 4.212 11.196 ( -2.957 -5.184 -0.764) 6.016 11.903 ( -5.679 3.497 -3.539) 7.550 13.207 ( 1.407 3.824 -11.984) 12.657 13.399 ( 3.699 -1.901 0.713) 4.220 13.723 ( -0.272 -0.120 1.138) 1.176 14.037 ( -4.271 0.374 -1.562) 4.563 14.133 ( -3.576 -4.037 -1.871) 5.709 14.845 ( 10.489 2.357 9.127) 14.103 18.429 ( -1.735 -0.268 0.502) 1.826 23.690 ( 1.311 1.293 -1.215) 2.206 24.769 ( -4.501 -2.014 -5.344) 7.271 25.371 ( 0.463 8.561 -1.702) 8.741 25.705 ( 1.380 -5.376 2.012) 5.904 26.376 ( -3.250 -0.580 3.189) 4.590 26.768 ( 3.737 -0.832 0.970) 3.949 33.501 ( 1.470 0.657 -0.841) 1.816 ======================= Grid point 226 (117/165) ======================= q-point: (-0.38 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -1.047 1.410 -4.910) 5.215 0.937 ( 2.597 -2.427 -1.444) 3.837 1.075 ( -4.238 0.570 -2.162) 4.791 1.185 ( -4.368 -1.792 -4.788) 6.724 1.267 ( 1.803 0.747 2.070) 2.845 1.302 ( -3.628 -3.796 -0.801) 5.311 1.376 ( 2.198 -4.730 -0.438) 5.234 1.511 ( 0.566 -3.200 6.460) 7.231 1.642 ( 3.293 0.959 -0.380) 3.451 1.697 ( -3.668 0.788 -0.469) 3.781 1.798 ( 4.843 0.550 0.428) 4.893 1.849 ( -4.395 -0.325 -1.648) 4.705 1.863 ( 1.950 -2.201 -0.167) 2.945 1.996 ( -3.045 1.528 -1.521) 3.730 2.737 ( 13.903 2.213 6.832) 15.648 3.464 ( 5.120 -13.631 1.517) 14.640 4.038 ( -6.245 -16.171 -2.937) 17.582 4.290 ( -6.816 -5.989 -10.125) 13.595 4.641 ( 3.144 10.221 -5.319) 11.943 5.093 ( -8.165 1.659 -5.188) 9.815 5.293 ( 6.362 1.982 6.082) 9.022 5.463 ( 8.568 1.163 2.581) 9.024 5.934 ( 1.598 -5.607 3.251) 6.675 6.295 ( -2.671 15.086 3.834) 15.793 6.587 ( -14.410 -2.081 -3.840) 15.058 6.939 ( 3.977 -2.273 3.873) 5.999 8.423 ( 8.186 0.901 4.218) 9.253 10.580 ( -0.041 0.030 0.441) 0.444 10.789 ( -0.050 3.276 1.659) 3.673 11.285 ( -3.285 -9.373 1.556) 10.053 11.780 ( -0.605 5.153 -3.622) 6.328 13.060 ( -6.419 4.380 -8.428) 11.464 13.477 ( 3.926 -2.091 0.019) 4.448 13.727 ( -1.236 0.085 1.334) 1.821 14.015 ( -1.471 -1.471 -0.665) 2.184 14.194 ( 2.545 -5.642 -2.386) 6.633 14.908 ( 8.052 5.845 5.040) 11.154 18.418 ( -1.481 -0.281 0.342) 1.546 23.661 ( -0.022 2.510 -0.846) 2.649 24.755 ( -4.023 -4.296 -3.750) 6.979 25.225 ( 1.989 9.095 -2.608) 9.668 25.825 ( 3.418 -4.815 1.452) 6.081 26.369 ( -2.715 -0.944 3.160) 4.271 26.797 ( -0.738 -0.097 0.512) 0.904 33.500 ( 1.675 1.118 -0.775) 2.157 ======================= Grid point 227 (118/165) ======================= q-point: (-0.25 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 4.674 -0.718 2.733) 5.462 0.999 ( -5.509 -0.753 -1.219) 5.692 1.061 ( 9.557 -2.650 -2.169) 10.152 1.173 ( -1.136 -2.744 -3.393) 4.509 1.265 ( -2.570 -0.240 3.000) 3.957 1.332 ( -1.728 -2.361 -0.127) 2.928 1.490 ( 3.972 -4.900 -0.827) 6.362 1.589 ( 0.716 -2.564 2.609) 3.728 1.601 ( -3.036 1.195 -3.014) 4.442 1.695 ( 3.244 1.690 2.196) 4.266 1.792 ( -3.586 0.434 -2.043) 4.150 1.881 ( 11.781 1.926 1.606) 12.045 1.922 ( 3.781 -2.031 -2.213) 4.829 1.969 ( 0.196 -0.410 1.509) 1.576 2.797 ( 1.049 3.865 3.165) 5.105 3.743 ( 2.841 -12.251 3.031) 12.936 3.966 ( -21.722 -3.782 -2.238) 22.162 4.364 ( 5.779 9.067 -3.829) 11.414 4.597 ( 3.131 -12.150 -10.464) 16.338 4.987 ( 1.196 3.547 -1.787) 4.147 5.283 ( -12.290 -0.493 1.061) 12.345 5.532 ( 4.580 1.107 3.653) 5.963 5.929 ( -11.417 -0.030 -1.041) 11.464 6.120 ( 10.742 10.890 5.147) 16.139 6.506 ( -6.607 -3.138 -0.414) 7.326 7.043 ( 9.852 0.403 1.405) 9.959 8.494 ( 5.499 0.839 0.163) 5.565 10.589 ( -0.128 -1.490 0.760) 1.677 10.747 ( 0.877 3.292 1.008) 3.553 11.435 ( -3.672 -10.762 3.487) 11.894 11.705 ( 3.851 3.868 -2.334) 5.937 12.907 ( -6.248 2.029 -3.340) 7.370 13.535 ( 0.882 -1.832 -1.962) 2.826 13.697 ( -3.316 0.731 1.022) 3.546 14.034 ( -1.223 -2.502 -0.231) 2.795 14.346 ( 8.544 -5.850 -1.738) 10.499 14.856 ( 3.132 8.600 -0.574) 9.171 18.413 ( -0.571 -0.248 0.845) 1.049 23.605 ( -1.122 2.954 0.152) 3.163 24.799 ( -2.684 -6.708 -1.670) 7.416 25.104 ( 3.491 7.465 -3.594) 8.990 25.934 ( 3.957 -3.023 -0.673) 5.025 26.378 ( -0.936 -0.784 3.781) 3.973 26.760 ( -4.317 1.400 0.500) 4.566 33.494 ( 1.229 0.955 -1.016) 1.859 ======================= Grid point 228 (119/165) ======================= q-point: (-0.12 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 5.052 0.297 3.436) 6.117 0.937 ( -7.440 -1.454 -2.069) 7.858 1.146 ( -3.637 -3.653 -5.298) 7.392 1.229 ( -3.485 0.498 4.142) 5.436 1.281 ( 7.923 -1.133 0.979) 8.064 1.365 ( 5.906 -1.329 1.756) 6.303 1.524 ( -1.120 2.604 -0.964) 2.994 1.579 ( 0.650 -1.698 -0.953) 2.052 1.636 ( -1.945 -2.115 0.106) 2.875 1.693 ( 2.086 2.196 1.405) 3.339 1.757 ( -1.063 -0.624 -1.972) 2.326 1.933 ( -0.673 0.548 1.312) 1.573 2.023 ( 7.555 -3.071 -0.134) 8.157 2.065 ( 18.710 0.819 1.165) 18.764 2.662 ( -12.584 3.225 -3.480) 13.449 3.664 ( -17.644 8.041 -1.058) 19.419 3.984 ( -2.328 -8.211 -0.021) 8.534 4.299 ( 10.038 7.063 0.258) 12.276 4.722 ( 1.285 -3.930 -1.139) 4.289 5.001 ( 6.951 4.689 0.956) 8.439 5.151 ( -14.050 -6.622 -2.713) 15.768 5.454 ( -14.580 0.697 -8.489) 16.886 5.856 ( 1.602 1.858 2.466) 3.479 6.139 ( 8.734 4.095 8.087) 12.588 6.542 ( 2.032 -3.224 2.520) 4.568 7.122 ( 8.907 2.878 -0.302) 9.365 8.506 ( -0.247 -0.070 -4.338) 4.345 10.645 ( 0.635 -4.406 1.776) 4.793 10.700 ( 0.296 3.385 0.060) 3.399 11.511 ( -0.279 0.504 -1.064) 1.211 11.766 ( 0.868 -7.893 3.312) 8.604 12.856 ( -1.219 -1.485 0.760) 2.066 13.522 ( -4.919 -1.051 -4.398) 6.682 13.671 ( 0.169 0.907 2.407) 2.578 14.062 ( -1.811 -2.746 -0.232) 3.297 14.511 ( 6.399 -2.918 1.129) 7.122 14.709 ( 0.201 7.697 -8.013) 11.113 18.423 ( 0.651 -0.155 1.635) 1.766 23.557 ( -0.397 1.796 1.190) 2.191 24.902 ( -0.936 -8.027 0.258) 8.086 25.026 ( 3.569 4.296 -4.267) 7.028 25.983 ( 0.645 -0.633 -3.670) 3.780 26.403 ( 2.223 0.708 4.402) 4.982 26.677 ( -4.865 2.619 1.520) 5.730 33.489 ( 0.466 0.053 -1.459) 1.533 ======================= Grid point 233 (120/165) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 0.964 0.000 -9.042) 9.094 0.915 ( -4.879 -0.000 1.485) 5.101 1.130 ( -2.665 -0.000 -3.278) 4.224 1.142 ( -7.797 -0.000 -5.154) 9.346 1.183 ( 1.861 0.000 -2.608) 3.204 1.273 ( 1.065 0.000 -2.336) 2.568 1.307 ( -0.346 -0.000 2.960) 2.980 1.452 ( -2.597 -0.000 7.767) 8.190 1.670 ( 3.548 0.000 1.393) 3.812 1.685 ( -5.412 -0.000 -5.878) 7.991 1.800 ( 8.509 0.000 2.048) 8.752 1.814 ( -0.228 -0.000 0.702) 0.739 1.865 ( -0.030 -0.000 -1.101) 1.102 2.034 ( -3.924 -0.000 -1.762) 4.302 2.774 ( 15.164 0.000 6.177) 16.374 3.151 ( 1.527 0.000 2.687) 3.090 3.698 ( 5.930 0.000 -9.592) 11.277 4.200 ( -17.466 -0.000 -11.721) 21.034 4.855 ( 10.699 0.000 3.965) 11.410 5.111 ( -8.305 -0.000 -4.744) 9.564 5.340 ( -2.272 -0.000 0.855) 2.428 5.557 ( 5.747 0.000 1.140) 5.859 5.733 ( 8.683 0.000 8.628) 12.241 6.541 ( -17.454 -0.000 -1.872) 17.554 6.738 ( -0.835 -0.000 3.748) 3.840 6.756 ( 5.684 0.000 5.038) 7.595 8.438 ( 7.944 0.000 4.622) 9.191 10.593 ( 1.306 0.000 0.671) 1.468 10.864 ( -0.074 -0.000 1.215) 1.217 11.111 ( -3.824 -0.000 -0.104) 3.825 11.870 ( -2.794 -0.000 -3.207) 4.253 13.156 ( -7.027 -0.000 -13.633) 15.337 13.429 ( 3.518 0.000 1.869) 3.984 13.730 ( -0.218 -0.000 1.956) 1.968 13.999 ( 0.201 0.000 -1.452) 1.466 14.074 ( -0.246 -0.000 -1.399) 1.421 15.015 ( 10.034 0.000 7.287) 12.401 18.415 ( -0.973 -0.000 0.454) 1.074 23.706 ( 0.797 0.000 -2.033) 2.184 24.686 ( -4.185 -0.000 -3.610) 5.527 25.453 ( -0.016 -0.000 -2.217) 2.217 25.670 ( 2.496 0.000 1.692) 3.016 26.353 ( -2.482 -0.000 2.930) 3.840 26.789 ( 0.069 0.000 1.695) 1.696 33.521 ( 2.002 0.000 -1.170) 2.319 ======================= Grid point 234 (121/165) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -2.336 -3.735 -7.158) 8.405 0.947 ( 4.032 -1.899 2.457) 5.089 1.054 ( -2.359 1.935 -4.134) 5.138 1.099 ( 2.061 -0.785 -3.063) 3.775 1.220 ( -1.387 -2.135 -0.017) 2.546 1.272 ( -3.028 -1.298 0.219) 3.302 1.329 ( 0.345 -4.096 0.883) 4.204 1.496 ( 4.000 -1.220 3.540) 5.479 1.617 ( -3.631 -0.180 -3.389) 4.970 1.729 ( 5.361 0.464 1.773) 5.666 1.831 ( 0.343 0.853 0.403) 1.003 1.866 ( 2.906 -0.751 -1.252) 3.252 1.903 ( 6.745 0.081 0.403) 6.758 2.007 ( 5.163 1.381 -0.327) 5.355 2.874 ( -0.702 1.079 1.416) 1.913 3.272 ( 0.309 -11.681 1.531) 11.785 3.775 ( -1.922 -6.881 -6.756) 9.833 4.057 ( -4.635 -7.001 -5.941) 10.286 4.857 ( 4.108 10.123 -2.544) 11.217 5.016 ( -7.739 -0.204 -1.501) 7.886 5.301 ( -5.395 0.111 1.658) 5.645 5.566 ( -0.405 1.093 0.111) 1.171 5.843 ( -2.517 -3.772 3.602) 5.791 6.385 ( -10.807 0.516 3.660) 11.422 6.637 ( 9.790 12.114 2.681) 15.804 6.959 ( 9.090 -5.863 3.885) 11.493 8.523 ( 5.881 0.604 1.301) 6.054 10.600 ( 1.069 0.982 0.431) 1.514 10.857 ( 2.223 2.768 1.364) 3.803 11.126 ( -3.174 -5.984 0.917) 6.835 11.829 ( 0.898 2.199 -2.139) 3.197 12.986 ( -10.774 2.019 -8.630) 13.950 13.473 ( 1.237 -1.412 -0.200) 1.888 13.721 ( -2.034 0.546 1.765) 2.748 14.010 ( 2.943 1.129 -1.073) 3.330 14.142 ( 6.016 -5.480 -1.391) 8.256 15.088 ( 5.804 4.314 2.442) 7.632 18.412 ( 0.192 0.090 0.748) 0.777 23.687 ( -0.476 1.499 -2.193) 2.699 24.655 ( -2.635 -1.969 -1.730) 3.716 25.369 ( 0.888 7.293 -2.506) 7.762 25.769 ( 3.223 -6.012 0.684) 6.856 26.349 ( -1.250 -0.477 3.533) 3.777 26.777 ( -3.952 -0.018 1.762) 4.327 33.529 ( 1.624 0.800 -1.843) 2.584 ======================= Grid point 235 (122/165) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 2.401 -4.585 0.688) 5.221 0.965 ( -5.627 0.371 1.178) 5.761 1.007 ( -0.730 -1.583 -5.142) 5.429 1.192 ( -5.945 -1.296 2.808) 6.701 1.236 ( 16.103 -1.881 3.705) 16.631 1.310 ( 0.911 -2.991 -1.053) 3.299 1.427 ( 1.001 -5.809 0.108) 5.896 1.559 ( 1.411 -0.339 -0.203) 1.465 1.600 ( 1.862 -0.660 -0.143) 1.981 1.761 ( 1.419 0.906 -0.255) 1.703 1.791 ( 0.130 3.220 -0.145) 3.226 1.916 ( 1.772 -1.023 -2.416) 3.166 1.935 ( 2.229 -1.925 0.926) 3.087 2.131 ( 20.065 2.265 1.133) 20.224 2.723 ( -20.222 0.802 -6.122) 21.143 3.519 ( 0.744 -16.311 -0.332) 16.331 3.748 ( -13.171 -1.586 2.601) 13.518 4.316 ( 10.997 -16.313 -0.516) 19.681 4.658 ( 1.283 12.065 -8.166) 14.625 4.962 ( -5.611 -2.116 1.765) 6.251 5.213 ( -4.783 3.573 0.101) 5.971 5.478 ( -12.401 0.741 -6.771) 14.149 5.875 ( -0.031 -1.525 3.704) 4.006 6.303 ( -4.792 3.458 8.118) 10.041 6.603 ( 14.283 8.462 2.826) 16.840 7.144 ( 9.989 -2.117 1.637) 10.341 8.537 ( 0.457 1.469 -3.483) 3.808 10.597 ( 1.332 0.757 0.751) 1.706 10.832 ( 2.642 4.095 1.193) 5.017 11.240 ( -1.754 -9.900 1.907) 10.234 11.800 ( 3.547 3.556 -0.968) 5.115 12.837 ( -8.021 0.257 -2.685) 8.462 13.485 ( -2.400 -1.153 -2.554) 3.689 13.700 ( -0.444 0.806 2.089) 2.282 14.016 ( 1.622 0.559 -1.003) 1.988 14.328 ( 8.963 -6.929 -1.466) 11.423 15.006 ( -0.981 8.469 -2.805) 8.975 18.423 ( 1.441 0.185 1.472) 2.068 23.634 ( -1.753 2.333 -1.012) 3.089 24.680 ( -1.277 -4.117 -0.396) 4.329 25.249 ( 2.417 7.626 -3.233) 8.628 25.902 ( 3.611 -4.913 -1.953) 6.402 26.378 ( 1.119 -1.307 4.812) 5.110 26.723 ( -6.644 0.397 2.057) 6.966 33.513 ( 0.260 1.175 -2.292) 2.588 ======================= Grid point 236 (123/165) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -9.427 -3.558 2.722) 10.437 0.899 ( -0.160 1.550 0.884) 1.791 1.028 ( 1.215 -2.539 -6.340) 6.936 1.180 ( -2.870 -1.678 1.909) 3.833 1.348 ( 1.880 -0.828 -0.668) 2.161 1.447 ( 10.275 -0.736 1.802) 10.458 1.518 ( -0.358 -4.732 -0.236) 4.751 1.574 ( 3.424 -0.057 2.614) 4.308 1.615 ( -0.400 1.669 -0.114) 1.720 1.736 ( 0.063 0.271 -1.450) 1.476 1.746 ( -1.539 2.452 -0.193) 2.901 1.929 ( 0.080 -0.391 0.500) 0.640 2.036 ( 7.127 -2.792 1.201) 7.748 2.325 ( 19.918 1.041 1.128) 19.977 2.452 ( -22.718 -0.545 -6.070) 23.521 3.551 ( -18.176 2.656 -1.455) 18.426 3.816 ( 3.316 -13.603 3.296) 14.384 4.474 ( 1.131 6.663 -5.015) 8.415 4.694 ( 10.099 -12.501 -0.403) 16.076 4.913 ( -10.681 0.131 -0.050) 10.682 5.184 ( 7.882 4.076 2.201) 9.142 5.266 ( -8.652 1.553 -9.727) 13.110 5.906 ( 0.249 0.239 1.706) 1.740 6.240 ( -3.077 2.747 9.198) 10.081 6.668 ( 13.204 3.750 4.456) 14.431 7.229 ( 4.359 1.632 -1.024) 4.766 8.463 ( -5.350 1.310 -6.258) 8.337 10.620 ( 1.812 -1.143 1.381) 2.549 10.784 ( 1.716 4.979 0.612) 5.302 11.406 ( -0.438 -9.999 0.950) 10.053 11.772 ( 2.632 3.573 -0.017) 4.438 12.804 ( -2.134 -3.023 1.895) 4.158 13.447 ( -3.348 -0.132 -3.310) 4.710 13.708 ( 1.693 0.467 3.076) 3.542 14.017 ( -0.269 -0.508 -1.532) 1.637 14.513 ( 6.721 -5.350 -1.349) 8.696 14.790 ( -6.384 9.524 -6.506) 13.183 18.447 ( 2.152 0.241 2.031) 2.969 23.580 ( -1.426 1.565 0.564) 2.190 24.761 ( -0.550 -6.796 0.341) 6.827 25.148 ( 3.338 6.646 -3.796) 8.350 25.957 ( 0.080 -0.673 -4.703) 4.751 26.456 ( 4.737 -1.282 4.979) 6.991 26.655 ( -5.851 0.374 2.591) 6.410 33.484 ( -1.050 0.548 -2.054) 2.371 ======================= Grid point 242 (124/165) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 4.676 0.000 -5.791) 7.443 0.915 ( -6.436 -0.000 1.428) 6.592 1.100 ( -0.394 -0.000 0.634) 0.746 1.146 ( 8.991 0.000 -0.225) 8.994 1.203 ( -9.463 -0.000 5.299) 10.846 1.227 ( 6.830 0.000 -0.010) 6.830 1.280 ( 5.226 0.000 -2.031) 5.607 1.565 ( 5.921 0.000 0.894) 5.988 1.579 ( -1.261 -0.000 -1.718) 2.132 1.781 ( 2.506 0.000 0.005) 2.506 1.872 ( 1.541 0.000 -0.820) 1.746 1.877 ( 4.332 0.000 1.093) 4.468 1.910 ( -0.732 -0.000 -3.026) 3.113 2.175 ( 19.164 0.000 1.208) 19.203 2.735 ( -22.249 -0.000 -6.883) 23.289 3.171 ( -0.408 -0.000 1.356) 1.416 3.698 ( 0.639 0.000 -8.687) 8.710 3.988 ( 3.462 0.000 5.236) 6.277 4.929 ( -6.658 -0.000 -7.669) 10.156 4.932 ( -5.804 -0.000 2.966) 6.517 5.260 ( -2.661 -0.000 1.180) 2.911 5.495 ( -7.346 -0.000 -2.855) 7.881 5.814 ( -0.545 -0.000 1.694) 1.779 6.341 ( -4.124 -0.000 8.417) 9.373 6.910 ( 8.593 0.000 2.978) 9.094 6.993 ( 13.480 0.000 3.215) 13.858 8.566 ( 1.349 0.000 -2.808) 3.115 10.623 ( 1.326 0.000 -0.011) 1.326 10.928 ( 4.858 0.000 0.747) 4.915 11.046 ( -2.312 -0.000 1.217) 2.613 11.862 ( 2.874 0.000 0.257) 2.885 12.848 ( -11.498 -0.000 -5.096) 12.577 13.462 ( -0.494 -0.000 -1.471) 1.552 13.716 ( -1.140 -0.000 1.632) 1.990 14.098 ( 6.768 0.000 -1.551) 6.944 14.129 ( 5.713 0.000 -0.253) 5.719 15.165 ( 1.016 0.000 -2.755) 2.936 18.428 ( 1.781 0.000 1.135) 2.112 23.677 ( -1.749 -0.000 -3.032) 3.500 24.623 ( -0.175 -0.000 0.248) 0.303 25.432 ( -0.048 -0.000 -2.378) 2.378 25.748 ( 4.063 0.000 0.594) 4.106 26.357 ( 0.512 0.000 4.448) 4.478 26.724 ( -7.334 -0.000 1.960) 7.591 33.539 ( 0.618 0.000 -3.124) 3.185 ======================= Grid point 243 (125/165) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 6.489 -3.622 -0.671) 7.462 0.844 ( -8.538 -0.669 1.771) 8.745 1.044 ( -4.470 1.195 2.507) 5.262 1.141 ( -0.406 0.898 1.900) 2.140 1.248 ( 1.635 -4.390 -1.495) 4.918 1.309 ( 0.620 -4.931 0.003) 4.970 1.449 ( 17.153 -0.508 3.656) 17.546 1.575 ( 0.885 -0.028 -0.163) 0.901 1.609 ( 1.518 -0.684 -0.617) 1.775 1.773 ( -2.077 0.915 -1.809) 2.902 1.843 ( -1.318 2.493 -2.023) 3.471 1.910 ( 1.891 -0.298 -0.518) 1.983 1.961 ( 8.303 -1.489 1.943) 8.657 2.321 ( -0.252 -0.491 -3.350) 3.395 2.475 ( -10.616 1.072 -2.639) 10.991 3.274 ( -0.462 -11.717 -0.618) 11.742 3.635 ( -6.879 1.395 -2.771) 7.546 4.172 ( 6.555 -13.009 3.081) 14.890 4.706 ( -14.764 4.660 -10.381) 18.640 4.940 ( 1.852 0.839 6.282) 6.603 5.261 ( 6.124 1.156 1.809) 6.489 5.402 ( -2.787 4.734 -4.285) 6.967 5.848 ( 0.549 -3.149 0.201) 3.203 6.326 ( -4.353 1.360 9.104) 10.182 6.895 ( 7.473 8.072 2.543) 11.290 7.195 ( 9.221 -3.554 0.510) 9.895 8.518 ( -4.946 1.297 -6.525) 8.290 10.630 ( 1.708 0.777 -0.167) 1.884 10.940 ( 3.817 4.052 1.018) 5.659 11.105 ( 1.046 -6.507 1.170) 6.693 11.890 ( 4.322 2.122 2.281) 5.328 12.739 ( -7.238 -0.943 -0.269) 7.304 13.446 ( -1.080 -0.018 -2.501) 2.725 13.716 ( 0.482 0.110 1.636) 1.709 14.080 ( 3.217 4.317 -0.964) 5.470 14.290 ( 6.915 -7.271 -1.125) 10.097 15.071 ( -5.883 5.701 -7.297) 10.971 18.456 ( 2.691 0.233 1.536) 3.107 23.630 ( -3.186 0.975 -1.985) 3.878 24.642 ( 1.364 -0.907 1.114) 1.981 25.368 ( 0.981 5.705 -2.342) 6.245 25.850 ( 4.803 -5.002 -1.567) 7.109 26.401 ( 2.915 -0.940 5.752) 6.517 26.646 ( -9.270 -0.568 2.049) 9.511 33.513 ( -1.374 0.820 -3.561) 3.904 ======================= Grid point 244 (126/165) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -14.567 2.229 6.374) 16.056 0.884 ( 4.259 -3.172 -3.447) 6.331 1.038 ( 1.156 -2.091 -0.860) 2.539 1.152 ( 1.919 0.248 1.133) 2.243 1.320 ( 1.452 -2.811 -0.755) 3.252 1.405 ( -0.408 -6.700 -1.258) 6.829 1.553 ( 3.867 2.819 -0.164) 4.788 1.578 ( -5.302 0.760 -1.654) 5.605 1.625 ( 0.792 -1.890 2.170) 2.985 1.718 ( -4.195 -0.318 -1.040) 4.333 1.774 ( -0.381 2.334 -1.330) 2.713 1.938 ( 1.802 -0.230 1.158) 2.154 2.115 ( 7.508 -0.505 3.544) 8.318 2.194 ( -9.559 -2.527 -0.750) 9.916 2.470 ( 0.922 0.031 1.981) 2.186 3.400 ( -6.622 -4.512 -8.902) 11.977 3.636 ( 1.962 -10.498 6.591) 12.550 4.481 ( -8.676 0.882 -6.892) 11.115 4.491 ( 5.618 -13.992 -1.425) 15.145 4.933 ( 1.805 3.524 1.828) 4.361 5.235 ( -1.183 8.479 -8.331) 11.946 5.415 ( 18.503 0.602 7.327) 19.910 5.885 ( -1.678 -1.344 -1.228) 2.476 6.282 ( -4.300 2.211 8.623) 9.886 6.863 ( 4.438 4.396 2.487) 6.724 7.270 ( 1.927 1.226 -3.093) 3.845 8.383 ( -9.660 1.509 -6.333) 11.649 10.640 ( 2.010 0.256 -0.050) 2.027 10.896 ( 2.098 5.494 0.771) 5.931 11.258 ( 2.436 -8.649 0.379) 8.993 11.885 ( 3.359 5.135 2.697) 6.703 12.742 ( -0.633 -3.652 3.789) 5.300 13.425 ( 0.302 0.549 -2.236) 2.322 13.735 ( 1.114 -0.277 1.984) 2.293 14.034 ( 0.651 2.795 -0.889) 3.004 14.465 ( 4.509 -6.772 -2.576) 8.534 14.823 ( -10.576 8.548 -7.469) 15.515 18.486 ( 2.427 0.417 1.508) 2.888 23.576 ( -3.194 0.559 0.105) 3.244 24.689 ( 1.466 -2.628 1.150) 3.222 25.272 ( 2.021 6.481 -2.635) 7.282 25.934 ( 2.035 -1.042 -4.315) 4.883 26.495 ( 3.247 -2.030 4.684) 6.050 26.588 ( -4.898 -2.234 2.516) 5.942 33.465 ( -2.636 0.538 -2.295) 3.536 ======================= Grid point 251 (127/165) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 4.762 0.000 -0.604) 4.800 0.812 ( 0.265 0.000 4.440) 4.447 0.936 ( -13.482 -0.000 5.534) 14.573 1.195 ( 2.060 0.000 -2.379) 3.147 1.237 ( 5.771 0.000 2.810) 6.419 1.260 ( 0.404 0.000 -3.111) 3.137 1.579 ( 3.009 0.000 1.754) 3.483 1.581 ( -5.504 -0.000 -1.237) 5.641 1.624 ( 8.371 0.000 1.582) 8.519 1.700 ( -10.495 -0.000 -2.994) 10.914 1.821 ( -3.066 -0.000 -3.113) 4.369 1.934 ( 1.539 0.000 1.358) 2.053 2.101 ( 17.130 0.000 5.324) 17.938 2.139 ( -13.734 -0.000 -1.796) 13.851 2.487 ( -3.794 -0.000 0.510) 3.828 3.155 ( -2.755 -0.000 -2.199) 3.525 3.582 ( -4.800 -0.000 -6.237) 7.870 4.173 ( 16.092 0.000 4.812) 16.797 4.500 ( -17.322 -0.000 -7.403) 18.838 5.004 ( 1.302 0.000 1.821) 2.238 5.411 ( 17.981 0.000 6.758) 19.209 5.468 ( 3.716 0.000 -1.937) 4.190 5.808 ( 0.054 0.000 -3.630) 3.630 6.320 ( -5.584 -0.000 7.575) 9.411 6.973 ( -4.771 -0.000 1.027) 4.880 7.269 ( 9.176 0.000 -2.336) 9.469 8.416 ( -10.616 -0.000 -7.698) 13.113 10.651 ( 1.642 0.000 -1.163) 2.013 11.043 ( 0.834 0.000 1.636) 1.836 11.062 ( 6.749 0.000 0.818) 6.799 11.977 ( 5.126 0.000 5.619) 7.606 12.677 ( -2.847 -0.000 2.701) 3.924 13.436 ( 0.876 0.000 -2.326) 2.485 13.729 ( 1.073 0.000 0.700) 1.281 14.169 ( -0.135 -0.000 -0.705) 0.718 14.256 ( 5.563 0.000 -1.192) 5.689 14.992 ( -11.034 -0.000 -10.667) 15.347 18.493 ( 2.715 0.000 1.151) 2.949 23.586 ( -4.781 -0.000 -1.302) 4.955 24.671 ( 3.353 0.000 1.339) 3.611 25.419 ( 0.541 0.000 -1.647) 1.733 25.861 ( 6.913 0.000 -1.375) 7.048 26.459 ( 4.805 0.000 6.232) 7.869 26.535 ( -11.067 -0.000 1.403) 11.155 33.480 ( -3.348 -0.000 -3.521) 4.859 ======================= Grid point 252 (128/165) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -7.681 7.666 9.707) 14.560 0.869 ( -1.233 -2.742 0.444) 3.039 0.953 ( 3.716 -5.287 -0.288) 6.469 1.200 ( 1.405 0.857 -2.191) 2.740 1.285 ( 1.135 -4.324 -2.731) 5.239 1.333 ( 4.463 -2.402 3.257) 6.024 1.455 ( -15.755 -0.670 2.824) 16.020 1.595 ( -2.333 0.742 -0.714) 2.550 1.626 ( 0.845 -0.215 0.073) 0.875 1.674 ( 0.117 0.221 0.440) 0.506 1.776 ( -1.936 0.425 -1.684) 2.600 1.948 ( -1.375 -0.636 2.864) 3.241 2.050 ( -4.328 0.426 -0.209) 4.353 2.302 ( 6.568 2.159 3.535) 7.765 2.404 ( -3.991 -3.009 2.411) 5.550 3.145 ( -10.159 -8.603 -9.170) 16.165 3.564 ( -0.040 -5.419 -0.178) 5.422 4.379 ( -1.655 -1.464 1.875) 2.898 4.476 ( 23.235 -4.900 0.856) 23.761 4.983 ( -0.912 1.227 -4.266) 4.532 5.392 ( 3.915 10.261 -4.372) 11.820 5.637 ( 13.007 1.006 4.731) 13.877 5.827 ( 0.597 -3.444 -3.265) 4.783 6.279 ( -5.959 0.354 5.861) 8.366 6.892 ( -7.010 0.884 0.639) 7.094 7.301 ( 1.574 1.859 -6.102) 6.570 8.261 ( -11.341 0.374 -3.567) 11.895 10.659 ( 1.380 0.168 -1.713) 2.207 11.010 ( 2.108 5.050 1.187) 5.600 11.187 ( 4.823 -5.006 0.601) 6.977 12.023 ( 4.172 4.007 6.721) 8.868 12.715 ( 2.455 -2.800 5.152) 6.357 13.446 ( 3.158 0.447 -1.452) 3.505 13.744 ( 0.769 -0.222 -0.084) 0.805 14.094 ( -1.496 4.009 0.594) 4.320 14.370 ( 1.894 -6.718 -3.089) 7.632 14.779 ( -12.277 4.671 -8.119) 15.442 18.517 ( 1.404 0.310 0.381) 1.487 23.534 ( -4.873 -0.403 0.758) 4.948 24.707 ( 3.299 0.455 1.039) 3.488 25.377 ( 1.279 4.840 -1.119) 5.129 25.941 ( 5.352 -0.697 -3.181) 6.265 26.438 ( -9.258 -1.799 1.290) 9.519 26.565 ( 5.605 -2.899 3.812) 7.372 33.429 ( -3.322 0.052 -1.176) 3.524 ======================= Grid point 260 (129/165) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -4.397 -0.000 7.381) 8.592 0.810 ( -0.353 -0.000 11.287) 11.293 1.007 ( 10.258 0.000 -1.689) 10.396 1.193 ( -1.198 -0.000 -3.487) 3.687 1.249 ( 1.999 0.000 -2.864) 3.493 1.263 ( -14.543 -0.000 13.106) 19.577 1.396 ( 0.135 0.000 -0.293) 0.322 1.589 ( 0.897 0.000 -0.048) 0.898 1.623 ( -0.213 -0.000 -0.032) 0.215 1.689 ( -0.356 -0.000 0.834) 0.907 1.759 ( 0.464 0.000 -0.550) 0.719 1.918 ( -4.528 -0.000 3.301) 5.603 2.045 ( 0.964 0.000 -0.927) 1.337 2.226 ( -13.540 -0.000 0.934) 13.572 2.473 ( 7.644 0.000 0.994) 7.708 2.896 ( -13.073 -0.000 -7.185) 14.918 3.478 ( -2.103 -0.000 -3.271) 3.889 4.452 ( 13.305 0.000 11.775) 17.767 4.756 ( 28.219 0.000 0.648) 28.226 4.943 ( -1.019 -0.000 -8.636) 8.696 5.518 ( 1.955 0.000 -2.948) 3.538 5.662 ( -7.496 -0.000 -6.567) 9.966 5.817 ( 3.142 0.000 -2.830) 4.229 6.227 ( -7.110 -0.000 2.835) 7.655 6.807 ( -8.507 -0.000 0.998) 8.565 7.279 ( -3.488 -0.000 -9.100) 9.746 8.176 ( -2.838 -0.000 3.895) 4.820 10.661 ( 0.471 0.000 -2.591) 2.633 11.097 ( 2.829 0.000 1.174) 3.063 11.190 ( 3.845 0.000 0.525) 3.881 12.135 ( 3.467 0.000 8.772) 9.433 12.748 ( 3.931 0.000 5.315) 6.611 13.491 ( 5.207 0.000 -0.283) 5.214 13.747 ( 0.817 0.000 -1.539) 1.743 14.099 ( -4.034 -0.000 1.387) 4.265 14.309 ( 0.910 0.000 -3.301) 3.424 14.671 ( -9.085 -0.000 -5.024) 10.382 18.524 ( -0.526 -0.000 -0.767) 0.930 23.483 ( -4.466 -0.000 2.433) 5.086 24.753 ( 3.368 0.000 0.196) 3.374 25.433 ( 1.440 0.000 -0.066) 1.441 25.993 ( 6.600 0.000 -2.740) 7.146 26.318 ( -9.002 -0.000 -0.044) 9.002 26.598 ( 2.300 0.000 1.798) 2.920 33.403 ( -0.882 -0.000 1.226) 1.510 ======================= Grid point 261 (130/165) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -1.551 -0.000 3.022) 3.397 1.020 ( -0.636 -0.000 -2.536) 2.615 1.146 ( 1.555 0.000 -0.825) 1.761 1.181 ( -1.525 -0.000 7.246) 7.405 1.233 ( 0.584 0.000 -0.907) 1.079 1.310 ( -0.830 -0.000 0.044) 0.832 1.446 ( 6.411 0.000 0.422) 6.425 1.505 ( -2.445 -0.000 -0.846) 2.587 1.672 ( 6.717 0.000 1.433) 6.868 1.733 ( -0.188 -0.000 1.600) 1.611 1.752 ( -7.443 -0.000 -3.638) 8.285 1.911 ( -0.172 -0.000 1.882) 1.890 2.039 ( 0.995 0.000 -1.256) 1.602 2.209 ( -4.082 -0.000 -2.259) 4.666 2.309 ( 4.100 0.000 5.003) 6.469 2.893 ( 0.665 0.000 1.742) 1.865 3.360 ( 0.281 0.000 -2.016) 2.035 4.714 ( 0.574 0.000 2.197) 2.271 4.906 ( -9.288 -0.000 -9.367) 13.191 5.164 ( 5.939 0.000 1.980) 6.261 5.359 ( 0.332 0.000 0.121) 0.353 5.561 ( -3.319 -0.000 -1.271) 3.554 5.677 ( 13.405 0.000 12.440) 18.288 5.916 ( -13.673 -0.000 -10.379) 17.166 6.713 ( -0.082 -0.000 0.255) 0.268 6.911 ( -3.440 -0.000 -3.554) 4.946 8.506 ( 4.883 0.000 2.291) 5.393 10.603 ( -0.391 -0.000 -0.733) 0.831 11.166 ( 1.083 0.000 0.039) 1.084 11.213 ( -0.567 -0.000 -0.064) 0.570 12.363 ( 0.058 0.000 3.240) 3.241 12.896 ( 0.805 0.000 1.665) 1.849 13.631 ( 1.822 0.000 0.755) 1.973 13.701 ( -1.075 -0.000 -0.793) 1.336 14.092 ( 0.766 0.000 -0.603) 0.975 14.177 ( -1.416 -0.000 -2.215) 2.629 14.606 ( 2.320 0.000 -0.329) 2.343 18.456 ( -1.091 -0.000 -0.419) 1.168 23.511 ( 0.173 0.000 1.221) 1.234 24.799 ( 0.999 0.000 -0.345) 1.057 25.505 ( 0.601 0.000 1.393) 1.517 26.048 ( 0.895 0.000 -0.703) 1.138 26.162 ( -0.604 -0.000 -1.357) 1.486 26.552 ( -2.945 -0.000 0.761) 3.042 33.476 ( 1.446 0.000 0.077) 1.448 ======================= Grid point 262 (131/165) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 0.236 -1.382 3.631) 3.892 0.984 ( -5.862 -0.596 -1.441) 6.066 1.169 ( 1.143 -1.345 -2.029) 2.689 1.213 ( -2.245 -1.394 5.862) 6.430 1.229 ( 0.634 0.517 -1.457) 1.671 1.317 ( 3.268 -1.358 -1.592) 3.881 1.500 ( 5.323 0.602 0.710) 5.404 1.532 ( 3.871 -1.327 -2.202) 4.646 1.622 ( -7.592 1.813 -3.908) 8.729 1.737 ( -0.855 0.236 0.725) 1.146 1.759 ( 7.233 0.920 2.634) 7.753 1.938 ( 0.418 -1.153 2.046) 2.386 2.009 ( 3.486 3.300 -0.977) 4.899 2.162 ( 1.753 3.323 1.106) 3.916 2.409 ( 0.456 -6.316 -0.725) 6.373 2.990 ( -2.420 -11.072 -0.732) 11.357 3.451 ( 1.791 -10.178 -1.049) 10.387 4.690 ( -0.940 3.049 2.911) 4.319 4.790 ( -11.797 0.639 1.593) 11.922 5.081 ( -1.769 5.531 -1.336) 5.959 5.340 ( -9.235 -1.521 -3.372) 9.949 5.536 ( -2.994 2.237 1.064) 3.886 5.752 ( -6.785 -1.435 -8.094) 10.659 5.930 ( 18.302 -2.386 11.236) 21.608 6.761 ( 4.294 -0.433 0.808) 4.391 6.889 ( 3.096 0.277 0.962) 3.254 8.511 ( -1.195 1.206 -3.583) 3.965 10.600 ( -0.616 -0.531 -0.043) 0.815 11.072 ( -0.313 8.226 0.089) 8.233 11.265 ( -0.471 -4.076 -0.514) 4.135 12.326 ( -1.822 4.853 1.785) 5.482 12.914 ( 2.544 0.359 0.251) 2.582 13.596 ( -3.719 2.212 -1.623) 4.622 13.680 ( -2.405 -0.141 0.834) 2.550 14.140 ( 0.212 -3.385 0.963) 3.525 14.202 ( 0.570 -4.546 -2.103) 5.041 14.605 ( 4.219 3.370 -2.624) 6.003 18.450 ( 0.026 0.106 0.892) 0.898 23.528 ( 1.718 -0.211 0.564) 1.820 24.804 ( 1.173 0.040 -1.404) 1.830 25.446 ( -0.949 6.966 0.299) 7.037 26.003 ( -2.556 2.099 -1.338) 3.568 26.230 ( 3.274 -4.829 0.039) 5.834 26.559 ( -2.298 -3.035 3.100) 4.910 33.482 ( 0.705 0.369 -1.331) 1.551 ======================= Grid point 263 (132/165) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 2.047 -1.122 3.334) 4.070 0.913 ( -6.473 -0.176 -1.227) 6.591 1.160 ( -4.850 1.757 -3.591) 6.286 1.179 ( -2.835 -1.647 -4.171) 5.306 1.269 ( 0.859 -2.314 3.438) 4.233 1.384 ( 3.821 -0.137 0.466) 3.852 1.511 ( -1.186 0.106 -1.801) 2.159 1.570 ( 3.590 0.179 -2.926) 4.635 1.580 ( 1.616 -1.057 0.496) 1.994 1.705 ( -1.682 0.996 0.181) 1.963 1.810 ( 3.797 0.761 1.180) 4.048 1.935 ( -1.279 0.593 1.812) 2.296 2.066 ( 6.756 -0.475 -1.548) 6.947 2.179 ( 13.931 3.332 4.620) 15.051 2.465 ( -5.855 -3.668 -4.232) 8.102 3.149 ( -6.593 -14.052 -2.438) 15.712 3.706 ( 3.391 -16.287 0.682) 16.651 4.543 ( -14.444 7.376 5.749) 17.207 4.739 ( 3.465 -2.213 1.733) 4.462 4.994 ( -12.035 -1.669 -5.096) 13.175 5.246 ( 1.867 6.560 -0.457) 6.836 5.357 ( -9.270 4.449 -2.935) 10.693 5.792 ( 1.954 -3.749 1.373) 4.445 6.192 ( 14.767 -2.458 6.954) 16.507 6.765 ( 1.591 3.515 4.853) 6.200 6.994 ( 8.344 -2.905 0.535) 8.851 8.432 ( -4.478 1.326 -6.647) 8.124 10.611 ( -0.522 -1.498 0.386) 1.633 10.923 ( -0.390 8.970 0.927) 9.026 11.328 ( -0.307 -4.799 -1.323) 4.988 12.175 ( -4.310 9.557 -0.516) 10.496 12.937 ( 2.625 0.567 -0.077) 2.687 13.498 ( -5.772 1.774 -2.024) 6.368 13.685 ( 0.847 -1.102 2.329) 2.713 14.155 ( -3.671 0.524 1.566) 4.025 14.300 ( 0.505 -6.854 -4.018) 7.961 14.586 ( 5.030 2.858 -2.423) 6.272 18.459 ( 0.962 0.072 1.739) 1.989 23.553 ( 2.008 -0.149 0.377) 2.049 24.822 ( 1.982 -1.538 -2.966) 3.885 25.281 ( -1.767 10.561 0.024) 10.708 25.936 ( -4.146 0.757 -1.611) 4.512 26.359 ( 5.414 -4.401 1.582) 7.155 26.611 ( -2.157 -3.876 3.355) 5.562 33.471 ( 0.072 0.467 -1.806) 1.867 ======================= Grid point 264 (133/165) ======================= q-point: ( 0.38 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -3.719 -0.827 0.235) 3.818 0.901 ( -1.540 0.164 -0.572) 1.651 1.033 ( -0.980 4.486 -2.749) 5.352 1.152 ( -4.968 -2.124 -3.269) 6.315 1.337 ( 1.689 -2.324 2.272) 3.663 1.389 ( 0.302 0.224 -0.900) 0.975 1.519 ( -5.237 -0.203 -3.651) 6.387 1.540 ( -0.684 -0.599 -0.663) 1.125 1.633 ( 6.458 -0.670 -1.064) 6.580 1.704 ( -0.063 -0.289 1.339) 1.371 1.844 ( 3.562 1.148 3.241) 4.951 1.913 ( -1.311 0.291 -0.576) 1.461 2.118 ( 5.270 0.050 -0.173) 5.273 2.360 ( -4.253 -1.298 3.303) 5.539 2.395 ( 14.883 2.340 -1.928) 15.189 3.259 ( -12.323 -10.812 -1.345) 16.449 3.975 ( 1.986 -9.532 -0.463) 9.748 4.392 ( -1.326 0.072 6.275) 6.414 4.809 ( -10.829 -1.600 -8.395) 13.795 4.835 ( -3.584 -1.362 -0.685) 3.895 5.035 ( -9.377 7.176 -5.920) 13.209 5.390 ( 16.072 3.173 8.530) 18.470 5.854 ( -1.550 -2.417 0.460) 2.908 6.343 ( 5.059 -0.179 3.981) 6.440 6.770 ( 4.670 1.928 5.967) 7.818 7.108 ( 3.524 -2.571 -0.693) 4.417 8.345 ( -3.869 0.506 -5.257) 6.547 10.643 ( -0.204 -2.742 0.190) 2.756 10.794 ( 0.034 6.691 1.624) 6.885 11.413 ( 0.691 -5.949 -1.320) 6.133 11.941 ( -5.090 11.056 -2.050) 12.343 12.942 ( 0.878 1.098 0.450) 1.476 13.420 ( -3.276 0.811 -0.829) 3.475 13.748 ( 4.306 -1.445 2.878) 5.377 14.070 ( -5.414 3.107 -0.526) 6.264 14.378 ( -1.076 -4.978 -5.439) 7.452 14.602 ( 3.381 0.491 0.243) 3.425 18.479 ( 1.161 -0.069 1.650) 2.019 23.574 ( 1.270 0.001 0.453) 1.348 24.878 ( 2.662 -4.156 -4.257) 6.518 25.085 ( -1.882 10.562 0.957) 10.770 25.883 ( -3.572 -0.128 -1.466) 3.864 26.486 ( 5.451 -2.557 2.029) 6.354 26.654 ( -2.500 -2.731 2.264) 4.340 33.457 ( -0.238 0.339 -1.369) 1.430 ======================= Grid point 265 (134/165) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -11.753 2.138 3.231) 12.375 0.887 ( 5.385 0.451 -4.003) 6.725 1.050 ( 6.417 1.462 2.357) 6.991 1.124 ( -4.242 -1.961 -2.941) 5.522 1.370 ( 0.773 1.142 0.018) 1.380 1.394 ( -1.714 -1.998 -1.672) 3.119 1.461 ( -1.928 -0.800 -1.653) 2.663 1.534 ( -0.327 -0.009 -1.004) 1.056 1.684 ( -1.142 0.112 -0.377) 1.208 1.711 ( 1.252 -0.650 0.116) 1.416 1.853 ( 1.581 2.890 4.530) 5.601 1.914 ( -0.306 -1.652 -1.734) 2.414 2.189 ( 5.157 0.101 1.693) 5.428 2.223 ( -9.129 0.412 -0.593) 9.157 2.564 ( 5.897 0.700 2.245) 6.349 3.253 ( -4.128 -3.338 -2.092) 5.706 4.060 ( 2.472 2.015 0.505) 3.229 4.454 ( 4.290 1.287 2.126) 4.958 4.726 ( -2.412 -2.417 -1.379) 3.683 4.790 ( -5.707 -0.467 -7.013) 9.054 4.887 ( 0.725 1.400 -1.141) 1.946 5.540 ( 8.628 0.314 4.148) 9.579 5.848 ( -2.231 -0.659 -1.142) 2.591 6.371 ( -1.193 -0.032 4.101) 4.271 6.829 ( 4.080 -0.461 1.471) 4.362 7.143 ( -1.858 -1.412 -1.193) 2.621 8.292 ( -2.889 0.144 -1.591) 3.301 10.678 ( 0.008 0.217 -0.173) 0.278 10.740 ( 0.399 -0.911 0.840) 1.302 11.493 ( 0.826 0.044 -0.658) 1.057 11.759 ( -1.763 1.861 -0.335) 2.585 12.931 ( 1.091 1.706 1.499) 2.519 13.396 ( 0.226 0.076 -0.195) 0.309 13.812 ( 0.963 0.231 2.751) 2.924 13.986 ( -0.461 0.695 -0.958) 1.270 14.398 ( -2.080 -2.444 -5.608) 6.461 14.623 ( 0.216 -0.082 0.815) 0.847 18.496 ( 0.559 -0.236 0.703) 0.928 23.582 ( 0.105 0.161 0.426) 0.467 24.914 ( -1.536 7.944 1.791) 8.287 24.981 ( 2.541 -6.340 -3.630) 7.735 25.858 ( -1.145 -0.678 -0.993) 1.661 26.556 ( 0.680 -0.691 0.798) 1.256 26.668 ( 0.149 -0.106 1.122) 1.136 33.445 ( -0.429 0.248 -0.462) 0.678 ======================= Grid point 266 (135/165) ======================= q-point: (-0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -4.059 -2.178 11.756) 12.626 0.943 ( 9.415 0.886 -1.346) 9.552 1.042 ( -0.690 3.166 -2.033) 3.825 1.120 ( 0.185 -0.924 -1.117) 1.461 1.369 ( -0.323 -0.310 1.153) 1.237 1.378 ( -0.225 0.582 -1.516) 1.639 1.488 ( 2.391 -1.972 -0.881) 3.222 1.531 ( -0.449 0.213 -0.010) 0.497 1.623 ( -5.330 2.071 -0.193) 5.722 1.724 ( -0.280 -0.286 -0.548) 0.679 1.828 ( -0.439 2.656 3.433) 4.363 1.934 ( -0.778 -2.519 -1.474) 3.020 2.100 ( -7.606 0.928 1.779) 7.866 2.289 ( 1.718 -1.285 4.163) 4.683 2.492 ( -10.460 0.595 -4.261) 11.310 3.276 ( 9.437 7.050 -3.153) 12.195 3.953 ( -0.211 10.469 1.691) 10.607 4.524 ( 6.129 -0.361 -3.385) 7.011 4.620 ( 9.718 6.497 4.147) 12.403 4.870 ( -0.532 -0.801 -2.323) 2.514 4.968 ( 7.717 -9.150 0.545) 11.982 5.539 ( -10.364 -2.750 -5.491) 12.047 5.859 ( 3.401 0.619 -0.090) 3.458 6.360 ( -4.908 -0.142 2.507) 5.514 6.862 ( 0.405 -0.876 -2.625) 2.797 7.115 ( -5.595 -0.953 -1.991) 6.015 8.265 ( -1.198 0.351 2.576) 2.863 10.652 ( 0.347 1.731 -0.659) 1.884 10.815 ( 0.011 -6.274 -0.354) 6.284 11.403 ( 0.237 7.241 -0.357) 7.254 11.875 ( 3.493 -9.837 3.879) 11.136 12.924 ( 1.799 2.230 2.502) 3.804 13.416 ( 2.957 -0.524 -0.165) 3.007 13.775 ( -3.794 1.303 0.185) 4.016 14.045 ( 6.433 -1.728 2.065) 6.974 14.371 ( -2.657 -0.021 -5.384) 6.004 14.609 ( -3.086 0.163 0.070) 3.091 18.502 ( -0.484 -0.340 -0.573) 0.823 23.573 ( -1.286 0.511 0.573) 1.497 24.805 ( -0.630 4.621 2.792) 5.436 25.117 ( 2.074 -8.425 -2.308) 8.978 25.874 ( 1.761 -1.104 -0.483) 2.134 26.518 ( -5.562 1.712 -0.904) 5.889 26.677 ( 3.539 2.143 -0.180) 4.141 33.436 ( -0.346 0.219 0.638) 0.758 ======================= Grid point 267 (136/165) ======================= q-point: (-0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -0.401 -2.209 9.666) 9.924 0.980 ( 2.696 1.654 -3.163) 4.473 1.053 ( 9.217 0.228 5.862) 10.925 1.125 ( -1.113 -0.763 -0.068) 1.351 1.320 ( 0.376 3.039 -1.710) 3.507 1.391 ( -3.631 1.346 0.239) 3.880 1.501 ( -3.993 1.288 2.624) 4.949 1.517 ( 0.095 -1.625 -1.796) 2.423 1.581 ( 0.661 -0.834 0.427) 1.147 1.717 ( -0.558 -0.117 -0.555) 0.795 1.800 ( -0.029 1.231 2.230) 2.547 1.970 ( 0.462 -2.501 -1.488) 2.946 2.023 ( -5.272 1.834 2.843) 6.264 2.234 ( -14.752 -2.149 1.200) 14.956 2.432 ( 1.993 1.356 -3.009) 3.856 3.138 ( 4.429 14.796 -1.502) 15.518 3.729 ( -2.012 15.316 -1.190) 15.494 4.644 ( 14.980 -5.878 -4.691) 16.761 4.758 ( 9.935 1.927 7.893) 12.834 4.836 ( 6.908 2.747 0.608) 7.459 5.226 ( 9.153 -9.085 0.872) 12.926 5.433 ( -13.099 -4.320 -8.109) 16.000 5.842 ( -2.138 2.536 -3.099) 4.539 6.271 ( -10.263 1.503 -1.076) 10.428 6.845 ( -2.856 0.548 -1.748) 3.393 7.046 ( -8.379 -1.894 -5.575) 10.241 8.295 ( 4.250 -0.150 6.753) 7.980 10.629 ( 0.268 0.978 -1.444) 1.765 10.932 ( 0.001 -7.977 0.059) 7.977 11.312 ( 1.599 5.015 0.246) 5.269 12.107 ( 4.222 -9.668 5.692) 11.987 12.909 ( 0.202 2.144 2.833) 3.558 13.476 ( 5.361 -1.253 0.440) 5.523 13.725 ( -1.238 0.833 -1.606) 2.192 14.139 ( 4.939 0.650 3.571) 6.129 14.305 ( -1.777 2.045 -5.473) 6.107 14.567 ( -5.036 -1.163 0.049) 5.169 18.492 ( -1.406 -0.321 -1.456) 2.049 23.545 ( -2.260 0.810 1.188) 2.678 24.770 ( 0.639 1.144 2.052) 2.434 25.277 ( 1.762 -8.850 0.075) 9.024 25.924 ( 3.622 -1.579 -0.257) 3.959 26.396 ( -6.349 4.245 -1.737) 7.832 26.659 ( 1.658 3.038 -1.582) 3.805 33.438 ( 0.375 0.067 1.549) 1.595 ======================= Grid point 268 (137/165) ======================= q-point: (-0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -1.703 0.239 4.489) 4.808 1.013 ( 5.371 0.130 -3.233) 6.270 1.118 ( -0.457 -0.888 3.704) 3.837 1.174 ( 4.383 -0.218 4.777) 6.487 1.266 ( -1.093 4.780 1.297) 5.072 1.303 ( -1.042 -0.044 -3.201) 3.366 1.438 ( -4.627 1.356 4.768) 6.781 1.552 ( -2.830 -0.381 -1.715) 3.331 1.594 ( 3.637 -1.485 -0.858) 4.021 1.726 ( 0.336 -0.218 1.449) 1.503 1.802 ( -1.541 -1.229 -1.357) 2.393 1.943 ( -4.096 2.126 2.219) 5.120 2.010 ( 0.253 -2.238 -1.491) 2.701 2.186 ( -4.858 -4.712 1.166) 6.867 2.369 ( -1.189 6.011 -0.021) 6.127 2.959 ( 3.246 10.679 2.155) 11.368 3.468 ( -1.561 10.892 -2.622) 11.311 4.717 ( -2.978 -0.158 -2.786) 4.081 4.909 ( 12.958 -5.901 -4.914) 15.063 5.015 ( 16.109 1.956 6.698) 17.555 5.315 ( -7.586 -5.532 -2.970) 9.848 5.492 ( 9.827 -3.812 3.301) 11.046 5.706 ( -7.317 5.230 -2.876) 9.443 6.104 ( -13.443 1.190 -5.818) 14.697 6.769 ( -5.769 1.901 0.282) 6.081 6.971 ( -6.730 -2.055 -7.274) 10.120 8.404 ( 7.989 -0.758 7.013) 10.657 10.613 ( -0.028 0.427 -1.360) 1.426 11.068 ( 0.514 -7.533 0.498) 7.567 11.260 ( 1.279 3.714 -0.001) 3.928 12.293 ( 2.259 -5.347 4.879) 7.583 12.890 ( -0.576 0.818 2.620) 2.805 13.565 ( 5.529 -1.663 1.342) 5.928 13.708 ( 0.652 0.267 -1.889) 2.016 14.128 ( -0.150 3.719 1.516) 4.019 14.234 ( -0.652 2.800 -4.416) 5.269 14.569 ( -1.601 -2.961 0.934) 3.494 18.473 ( -1.680 -0.182 -1.403) 2.196 23.517 ( -1.668 0.511 1.622) 2.382 24.783 ( 1.160 -0.340 0.663) 1.379 25.429 ( 1.557 -6.332 1.629) 6.721 25.994 ( 3.544 -2.253 -0.391) 4.218 26.251 ( -4.501 4.818 -1.802) 6.835 26.604 ( -1.461 2.563 -1.470) 3.296 33.455 ( 1.347 -0.147 1.427) 1.968 ======================= Grid point 270 (138/165) ======================= q-point: ( 0.12 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 2.218 0.000 3.141) 3.846 0.902 ( -7.370 -0.000 0.023) 7.370 1.150 ( -0.488 -0.000 -1.462) 1.542 1.160 ( -7.263 -0.000 0.893) 7.317 1.218 ( -1.015 -0.000 -1.458) 1.776 1.381 ( 8.470 0.000 -1.872) 8.674 1.549 ( -5.877 -0.000 -0.720) 5.921 1.557 ( 4.509 0.000 2.838) 5.328 1.583 ( 5.726 0.000 -3.401) 6.660 1.733 ( -1.039 -0.000 0.187) 1.055 1.797 ( -0.382 -0.000 -0.380) 0.539 1.965 ( 1.347 0.000 2.080) 2.478 2.068 ( 4.395 0.000 -3.755) 5.781 2.237 ( 3.985 0.000 7.773) 8.735 2.377 ( 7.482 0.000 -4.668) 8.819 2.869 ( -2.550 -0.000 -0.361) 2.575 3.384 ( 2.997 0.000 -1.621) 3.407 4.664 ( -17.806 -0.000 5.535) 18.647 4.696 ( -2.456 -0.000 2.103) 3.234 4.948 ( -17.858 -0.000 -9.621) 20.285 5.366 ( 8.240 0.000 5.414) 9.860 5.582 ( 0.473 0.000 6.074) 6.093 5.607 ( -6.463 -0.000 -7.960) 10.254 6.141 ( 16.873 0.000 7.873) 18.619 6.836 ( 6.971 0.000 -0.077) 6.971 6.933 ( 3.455 0.000 5.875) 6.816 8.461 ( -5.003 -0.000 -7.592) 9.093 10.589 ( -0.829 -0.000 0.674) 1.068 11.174 ( 0.540 0.000 -2.126) 2.193 11.175 ( -3.576 -0.000 0.967) 3.704 12.344 ( -3.565 -0.000 0.241) 3.573 12.941 ( 2.737 0.000 -2.845) 3.947 13.543 ( -7.659 -0.000 -2.621) 8.095 13.664 ( -0.612 -0.000 2.097) 2.185 14.126 ( 2.903 0.000 -0.571) 2.959 14.177 ( 0.638 0.000 1.741) 1.854 14.654 ( 2.514 0.000 -3.685) 4.460 18.460 ( 0.626 0.000 1.828) 1.932 23.554 ( 3.122 0.000 -0.268) 3.133 24.808 ( 0.822 0.000 -2.274) 2.419 25.492 ( -1.484 -0.000 -0.937) 1.755 25.954 ( -8.049 -0.000 -1.020) 8.113 26.260 ( 9.089 0.000 0.918) 9.135 26.528 ( -2.062 -0.000 4.907) 5.323 33.481 ( 0.207 0.000 -2.385) 2.394 ======================= Grid point 271 (139/165) ======================= q-point: ( 0.25 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -6.359 -1.604 -1.999) 6.856 0.890 ( 2.895 -0.048 4.084) 5.006 1.083 ( -5.683 -0.522 -5.689) 8.059 1.140 ( -0.943 0.072 -0.518) 1.079 1.221 ( -1.220 -2.809 -0.038) 3.063 1.435 ( 1.635 0.356 -1.115) 2.011 1.488 ( -3.037 1.135 2.289) 3.969 1.584 ( 0.595 1.999 0.089) 2.087 1.635 ( 5.276 -0.207 -0.684) 5.324 1.703 ( -1.582 0.591 -0.302) 1.716 1.810 ( 1.281 -1.993 -2.957) 3.789 1.953 ( -1.794 0.992 2.412) 3.166 2.096 ( 3.470 -0.642 -3.014) 4.641 2.320 ( 0.775 -0.886 7.191) 7.286 2.463 ( 12.462 1.463 -4.067) 13.190 2.920 ( -0.953 -7.426 0.865) 7.537 3.508 ( 3.606 -11.255 -1.063) 11.866 4.438 ( -18.792 1.234 3.097) 19.085 4.730 ( -15.973 -1.782 -10.829) 19.380 4.763 ( 5.491 -2.254 3.020) 6.660 5.369 ( -5.615 10.708 -1.856) 12.233 5.493 ( 11.727 2.319 7.787) 14.267 5.715 ( -1.923 -6.483 3.298) 7.523 6.329 ( 12.157 -0.491 3.755) 12.733 6.859 ( 2.267 2.811 2.453) 4.366 7.023 ( 3.605 -2.395 5.029) 6.635 8.370 ( -4.254 0.642 -7.037) 8.248 10.589 ( -0.759 -0.638 1.120) 1.496 11.044 ( -2.906 7.045 0.244) 7.624 11.234 ( -1.318 -4.733 -1.879) 5.260 12.242 ( -6.273 5.619 -1.868) 8.626 12.952 ( 2.220 -0.237 -5.008) 5.483 13.446 ( -6.492 0.541 -1.631) 6.716 13.694 ( 2.562 -1.247 2.427) 3.743 14.139 ( -0.832 1.402 -0.211) 1.644 14.228 ( 1.797 -3.665 1.365) 4.304 14.647 ( 1.876 1.463 -1.833) 3.004 18.475 ( 0.460 -0.089 2.007) 2.061 23.584 ( 3.186 0.328 -0.564) 3.252 24.808 ( 0.886 -0.590 -3.680) 3.831 25.407 ( -1.836 7.131 -1.360) 7.488 25.869 ( -7.670 -0.901 -0.013) 7.722 26.390 ( 9.605 -2.017 1.970) 10.010 26.548 ( -2.199 -2.750 4.002) 5.330 33.470 ( 0.160 0.318 -2.278) 2.306 ======================= Grid point 272 (140/165) ======================= q-point: ( 0.38 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -5.028 -2.007 0.479) 5.434 0.912 ( 1.722 2.030 -2.313) 3.527 1.026 ( -0.576 -0.873 -5.069) 5.176 1.132 ( 1.940 1.150 1.387) 2.648 1.292 ( 0.707 -5.156 1.892) 5.537 1.376 ( -4.266 1.045 -2.216) 4.919 1.475 ( -2.371 0.690 1.887) 3.108 1.540 ( -1.383 1.987 0.597) 2.494 1.676 ( 3.456 -0.156 -1.881) 3.937 1.699 ( -0.938 -0.486 1.733) 2.030 1.851 ( 1.876 -1.906 -2.899) 3.944 1.930 ( -1.626 0.785 1.916) 2.633 2.157 ( 5.513 -1.728 0.285) 5.784 2.258 ( -11.089 1.686 -0.269) 11.220 2.560 ( 3.138 -0.688 -0.941) 3.348 3.057 ( 3.551 -6.624 4.221) 8.620 3.779 ( 3.837 -15.588 -1.883) 16.163 4.374 ( 1.110 -5.336 3.339) 6.391 4.573 ( -9.994 -1.267 -8.583) 13.235 4.880 ( 7.148 -0.483 2.326) 7.532 5.112 ( -4.068 12.183 -2.459) 13.078 5.582 ( 3.343 1.803 3.348) 5.063 5.782 ( -1.675 -4.328 1.952) 5.034 6.415 ( 3.798 2.200 2.474) 5.039 6.848 ( 1.406 1.750 2.733) 3.537 7.096 ( 0.048 -1.744 3.501) 3.912 8.308 ( -1.679 0.662 -2.639) 3.197 10.604 ( -0.663 -1.586 0.977) 1.977 10.899 ( -2.826 6.700 0.952) 7.333 11.307 ( 0.063 -6.406 -2.129) 6.751 12.030 ( -7.688 8.984 -3.114) 12.228 12.958 ( 2.613 0.055 -4.631) 5.318 13.393 ( -2.434 -0.321 -0.456) 2.497 13.764 ( 2.064 -2.418 1.494) 3.513 14.065 ( -3.163 3.343 -1.761) 4.927 14.307 ( 0.323 -3.133 1.376) 3.437 14.648 ( 2.964 1.393 1.328) 3.534 18.487 ( -0.313 -0.284 1.346) 1.411 23.602 ( 2.320 0.825 -0.372) 2.490 24.824 ( 0.893 -2.603 -5.090) 5.787 25.234 ( -2.225 9.963 -0.567) 10.224 25.829 ( -4.110 -1.468 0.938) 4.464 26.502 ( 1.940 -1.749 2.581) 3.672 26.610 ( 2.994 -3.193 1.676) 4.687 33.458 ( 0.338 0.492 -1.330) 1.458 ======================= Grid point 273 (141/165) ======================= q-point: ( 0.50 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -5.635 2.870 3.501) 7.228 0.922 ( 4.791 -1.523 -3.588) 6.176 1.041 ( 1.304 -0.890 -3.529) 3.866 1.170 ( 6.521 1.130 2.415) 7.045 1.330 ( -2.816 -1.631 -0.134) 3.257 1.396 ( -5.923 2.382 0.074) 6.385 1.416 ( 4.001 -3.958 2.181) 6.036 1.520 ( -1.419 -0.499 1.053) 1.836 1.687 ( -1.073 1.119 1.063) 1.880 1.703 ( -0.073 -0.755 -0.265) 0.804 1.865 ( -1.967 -0.857 -3.207) 3.859 1.911 ( -0.921 0.978 1.377) 1.924 2.106 ( -10.932 0.306 -0.130) 10.937 2.251 ( 2.857 -1.458 3.555) 4.789 2.483 ( -12.944 -0.755 -4.665) 13.780 3.285 ( 15.881 -5.214 6.357) 17.883 4.034 ( 6.490 -7.976 -4.166) 11.094 4.491 ( -2.262 -0.389 -5.192) 5.677 4.614 ( 7.478 -11.982 3.777) 14.621 4.897 ( 4.251 10.017 0.271) 10.886 4.932 ( 6.687 4.129 0.246) 7.863 5.496 ( -13.882 -0.100 -6.128) 15.175 5.864 ( 4.807 -1.114 2.013) 5.329 6.381 ( -3.005 2.750 3.586) 5.427 6.840 ( -1.240 -0.070 -2.638) 2.916 7.108 ( -3.697 -0.106 3.555) 5.130 8.287 ( 0.419 0.923 1.946) 2.194 10.634 ( -0.945 -2.722 0.215) 2.890 10.784 ( -1.780 4.559 0.897) 4.975 11.436 ( 2.720 -7.897 -0.977) 8.409 11.796 ( -6.727 7.687 -1.662) 10.349 12.969 ( 3.087 0.569 -3.292) 4.549 13.395 ( 1.033 -0.803 -0.321) 1.347 13.791 ( -3.755 -0.806 0.173) 3.844 14.011 ( 2.521 0.510 -1.167) 2.825 14.343 ( -2.108 -1.772 1.305) 3.048 14.659 ( 3.026 2.590 2.002) 4.458 18.488 ( -1.281 -0.460 0.215) 1.378 23.602 ( 1.139 1.242 -0.194) 1.696 24.875 ( 0.368 -5.348 -5.121) 7.413 25.051 ( -1.689 9.244 0.635) 9.419 25.836 ( -0.339 -1.420 1.530) 2.115 26.518 ( -3.901 -1.296 0.932) 4.215 26.702 ( 5.472 -0.823 0.729) 5.581 33.450 ( 0.433 0.592 -0.245) 0.773 ======================= Grid point 274 (142/165) ======================= q-point: (-0.38 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -0.906 -0.975 10.739) 10.821 0.981 ( -1.085 -3.108 -3.543) 4.836 1.055 ( 7.163 1.270 -4.094) 8.348 1.182 ( -0.813 3.598 2.952) 4.725 1.314 ( -3.252 -1.705 0.961) 3.795 1.377 ( 1.657 -2.039 -0.871) 2.768 1.504 ( 2.171 -0.162 3.558) 4.171 1.534 ( 1.182 -1.147 0.244) 1.665 1.625 ( -2.896 3.075 -0.603) 4.267 1.709 ( -0.761 -0.308 0.134) 0.832 1.828 ( -4.993 -0.523 -1.631) 5.278 1.893 ( 0.091 -0.496 1.325) 1.418 2.046 ( -3.961 -0.946 1.405) 4.308 2.165 ( -20.307 -1.636 -2.962) 20.587 2.468 ( 9.395 0.621 1.599) 9.551 3.532 ( 17.019 3.085 4.313) 17.826 4.063 ( 0.630 4.563 -3.570) 5.828 4.497 ( -0.281 -2.162 -9.079) 9.337 4.740 ( -8.907 -5.868 0.265) 10.670 4.938 ( 18.287 3.740 9.799) 21.081 5.059 ( 23.074 -0.096 1.651) 23.133 5.294 ( -18.604 -2.289 -9.282) 20.916 5.894 ( 0.042 1.551 0.061) 1.553 6.306 ( -8.005 1.027 1.370) 8.186 6.809 ( -3.058 -2.208 -7.612) 8.495 7.044 ( -8.748 1.590 3.112) 9.421 8.307 ( 3.803 0.911 4.976) 6.329 10.667 ( -0.838 -1.320 0.056) 1.564 10.729 ( -1.314 -0.734 -0.585) 1.615 11.511 ( 1.448 5.062 -1.723) 5.540 11.743 ( -0.675 -9.615 3.734) 10.337 12.963 ( 0.069 1.102 -2.221) 2.480 13.436 ( 3.955 -1.084 0.085) 4.102 13.749 ( -2.651 0.445 -0.593) 2.753 14.080 ( 5.303 -3.302 -0.013) 6.248 14.335 ( -3.453 -0.425 0.890) 3.591 14.630 ( 1.195 4.524 0.747) 4.739 18.477 ( -1.937 -0.552 -0.746) 2.148 23.584 ( -0.154 1.546 0.044) 1.554 24.895 ( -0.999 5.596 1.206) 5.811 24.984 ( 0.449 -7.009 -3.422) 7.813 25.876 ( 2.141 -1.382 1.505) 2.960 26.479 ( -4.619 0.523 -0.387) 4.665 26.743 ( 3.203 1.579 -0.413) 3.594 33.447 ( 0.568 0.508 0.585) 0.961 ======================= Grid point 275 (143/165) ======================= q-point: (-0.25 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 0.418 -1.991 9.879) 10.087 0.990 ( 2.268 -1.877 -3.017) 4.215 1.118 ( 1.011 0.085 2.591) 2.783 1.133 ( 1.157 -0.196 0.928) 1.496 1.299 ( -2.588 -0.123 -1.819) 3.165 1.437 ( 3.774 1.301 -1.455) 4.249 1.484 ( -2.496 0.785 1.244) 2.898 1.538 ( 1.864 1.549 1.929) 3.098 1.590 ( -0.050 0.975 0.394) 1.052 1.707 ( 0.366 -0.562 0.068) 0.674 1.764 ( -6.121 -0.065 -1.659) 6.342 1.937 ( -0.844 -1.781 -1.463) 2.454 2.006 ( -7.434 -2.816 -1.596) 8.108 2.029 ( -5.290 -1.273 0.746) 5.492 2.551 ( 8.823 4.493 5.207) 11.187 3.486 ( 9.162 17.626 -0.905) 19.886 3.941 ( -1.398 11.670 -0.124) 11.754 4.510 ( -6.007 -10.948 -6.339) 14.004 4.765 ( 1.364 -2.083 -1.614) 2.967 5.049 ( -8.219 -0.708 -6.050) 10.230 5.190 ( 16.851 -0.137 9.336) 19.265 5.376 ( 17.927 -3.608 2.753) 18.493 5.819 ( -6.104 2.605 -1.429) 6.789 6.162 ( -14.247 1.841 -3.869) 14.878 6.807 ( -0.266 -3.446 -7.381) 8.150 6.911 ( -11.092 2.218 1.850) 11.462 8.379 ( 6.413 -0.272 5.373) 8.371 10.648 ( -0.029 1.726 -0.487) 1.794 10.790 ( -1.455 -7.567 -0.595) 7.728 11.411 ( 0.637 5.858 -0.620) 5.925 11.980 ( 2.392 -12.742 5.134) 13.944 12.921 ( -2.776 0.894 -0.781) 3.019 13.507 ( 4.714 -1.424 0.463) 4.946 13.722 ( -0.477 0.524 -1.472) 1.633 14.207 ( 4.901 -3.159 2.570) 6.372 14.298 ( -1.029 0.742 -2.325) 2.649 14.545 ( -1.854 4.872 -0.258) 5.219 18.462 ( -1.859 -0.512 -0.958) 2.154 23.552 ( -0.956 1.591 0.622) 1.958 24.820 ( 0.702 3.445 0.860) 3.619 25.125 ( 0.144 -10.258 -1.185) 10.327 25.930 ( 2.525 -1.441 0.690) 2.988 26.404 ( -3.283 3.090 -0.807) 4.580 26.715 ( 0.166 3.347 -1.008) 3.500 33.452 ( 0.897 0.120 0.846) 1.239 ======================= Grid point 276 (144/165) ======================= q-point: (-0.12 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -0.714 0.398 4.822) 4.891 1.040 ( -0.578 0.120 -1.663) 1.765 1.129 ( 3.950 -0.996 3.876) 5.623 1.186 ( 1.294 -1.510 -0.607) 2.079 1.269 ( -0.936 0.758 -3.059) 3.288 1.357 ( -1.596 4.180 1.672) 4.776 1.471 ( 0.797 1.863 0.130) 2.031 1.551 ( 0.248 2.276 -0.479) 2.339 1.625 ( 8.855 -2.053 2.448) 9.413 1.691 ( -7.967 -1.522 -3.026) 8.657 1.733 ( 0.275 -0.814 0.379) 0.939 1.929 ( -2.497 -3.966 -2.073) 5.125 1.981 ( -0.924 2.475 1.603) 3.090 2.076 ( 0.734 -5.121 -0.082) 5.174 2.521 ( 2.503 8.094 3.175) 9.047 3.244 ( 2.527 17.667 -0.477) 17.853 3.673 ( -1.067 15.837 -1.328) 15.929 4.604 ( -5.128 -8.316 0.299) 9.774 4.881 ( 5.784 -3.509 -2.460) 7.199 4.942 ( -10.535 -6.004 -4.587) 12.964 5.414 ( 14.969 1.865 8.441) 17.285 5.531 ( -4.781 -1.662 -2.082) 5.473 5.752 ( 8.978 2.575 4.888) 10.541 5.941 ( -14.809 1.915 -7.498) 16.709 6.785 ( -3.983 2.900 1.110) 5.051 6.846 ( 0.750 -3.105 -3.900) 5.041 8.472 ( 4.310 -1.488 1.985) 4.973 10.620 ( -0.238 1.186 -0.634) 1.366 10.923 ( -0.453 -9.509 0.222) 9.522 11.333 ( 0.520 4.333 -0.456) 4.388 12.204 ( 0.550 -9.518 3.881) 10.293 12.893 ( -0.596 -0.094 0.732) 0.948 13.572 ( 1.621 -2.020 -0.241) 2.601 13.703 ( -1.400 0.171 -0.844) 1.644 14.202 ( -3.025 3.150 3.810) 5.795 14.301 ( 4.855 5.480 -6.205) 9.597 14.503 ( 0.944 -3.589 -0.008) 3.711 18.450 ( -1.030 -0.331 -0.272) 1.116 23.526 ( -0.196 0.996 1.026) 1.444 24.799 ( 1.431 0.902 -0.425) 1.744 25.300 ( -0.075 -10.438 0.554) 10.453 25.977 ( 1.060 -1.822 -0.603) 2.192 26.309 ( -0.801 5.170 -0.531) 5.259 26.639 ( -2.010 4.108 0.252) 4.580 33.467 ( 1.082 -0.339 0.124) 1.141 ======================= Grid point 279 (145/165) ======================= q-point: ( 0.25 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -6.743 -0.000 -1.773) 6.972 0.951 ( 4.848 0.000 1.754) 5.155 1.028 ( 0.828 0.000 -3.378) 3.478 1.139 ( 0.384 0.000 0.948) 1.023 1.175 ( -1.561 -0.000 -1.417) 2.108 1.415 ( -3.929 -0.000 -1.601) 4.243 1.492 ( -1.261 -0.000 3.332) 3.562 1.622 ( -3.116 -0.000 1.569) 3.488 1.662 ( 2.748 0.000 2.129) 3.476 1.678 ( -1.212 -0.000 -2.739) 2.995 1.804 ( 3.167 0.000 -4.198) 5.259 1.933 ( -3.584 -0.000 1.513) 3.890 2.120 ( 5.018 0.000 -1.342) 5.194 2.291 ( -9.788 -0.000 0.251) 9.792 2.548 ( 1.717 0.000 -3.042) 3.494 2.924 ( 8.348 0.000 7.655) 11.326 3.437 ( 3.299 0.000 -2.876) 4.377 4.284 ( -8.326 -0.000 -1.705) 8.499 4.548 ( -6.790 -0.000 -7.352) 10.008 4.861 ( 11.704 0.000 4.977) 12.719 5.476 ( -2.793 -0.000 -2.482) 3.736 5.546 ( 0.666 0.000 8.124) 8.151 5.635 ( -5.136 -0.000 1.141) 5.261 6.460 ( 10.545 0.000 0.937) 10.586 6.912 ( 1.466 0.000 2.337) 2.759 7.040 ( -1.389 -0.000 7.201) 7.334 8.321 ( -1.505 -0.000 -3.401) 3.719 10.582 ( -0.622 -0.000 1.550) 1.671 11.068 ( -6.972 -0.000 0.764) 7.013 11.159 ( 0.323 0.000 -3.355) 3.370 12.199 ( -8.979 -0.000 -3.267) 9.555 12.953 ( 4.215 0.000 -8.829) 9.783 13.384 ( -4.161 -0.000 -0.046) 4.161 13.714 ( 1.806 0.000 1.181) 2.158 14.180 ( -2.192 -0.000 1.471) 2.639 14.190 ( 1.197 0.000 -0.151) 1.207 14.683 ( 3.566 0.000 3.086) 4.715 18.481 ( -0.643 -0.000 1.625) 1.747 23.618 ( 3.167 0.000 -1.121) 3.360 24.788 ( -0.412 -0.000 -4.468) 4.487 25.452 ( -0.791 -0.000 -2.196) 2.334 25.770 ( -7.867 -0.000 1.535) 8.015 26.502 ( 11.436 0.000 2.014) 11.612 26.507 ( -3.561 -0.000 3.374) 4.905 33.468 ( 0.613 0.000 -1.788) 1.890 ======================= Grid point 280 (146/165) ======================= q-point: ( 0.38 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -4.361 -3.731 -2.096) 6.110 0.973 ( 2.314 2.655 -0.990) 3.659 1.052 ( 5.710 1.531 -1.005) 5.997 1.164 ( 2.578 -0.716 1.192) 2.929 1.216 ( 1.642 -5.747 1.110) 6.079 1.337 ( -4.241 1.734 -2.882) 5.413 1.489 ( -2.085 1.633 3.491) 4.382 1.536 ( -7.500 1.207 0.522) 7.615 1.679 ( 0.435 -0.768 -1.772) 1.980 1.698 ( 1.175 -0.110 2.292) 2.578 1.821 ( -0.810 -2.163 -2.010) 3.062 1.903 ( -3.095 0.106 -0.086) 3.098 2.130 ( -15.585 0.159 -4.747) 16.293 2.199 ( 5.993 -1.188 1.957) 6.415 2.480 ( -9.606 0.641 -2.121) 9.859 3.097 ( 10.314 -4.330 8.368) 13.970 3.568 ( 4.166 -12.759 -3.336) 13.831 4.296 ( 3.748 -4.440 -3.763) 6.923 4.527 ( 5.313 0.221 -0.803) 5.378 5.015 ( 14.209 0.966 3.264) 14.611 5.293 ( -0.829 12.483 0.648) 12.527 5.505 ( -16.058 0.237 -6.634) 17.376 5.705 ( 2.271 -8.391 5.495) 10.284 6.527 ( 6.023 3.630 0.171) 7.034 6.891 ( -3.100 3.445 2.279) 5.164 7.060 ( -4.402 -3.017 5.699) 7.808 8.314 ( 1.552 0.515 1.729) 2.380 10.587 ( -0.455 -0.421 1.434) 1.563 10.953 ( -5.346 4.432 0.584) 6.969 11.197 ( -0.145 -5.136 -2.828) 5.865 12.039 ( -9.674 4.814 -3.880) 11.481 12.971 ( 5.602 -0.194 -9.353) 10.904 13.369 ( -0.059 -0.539 1.181) 1.299 13.740 ( -0.095 -1.347 0.240) 1.371 14.092 ( -2.961 3.826 -1.283) 5.005 14.235 ( -4.073 -4.331 0.635) 5.979 14.752 ( 7.707 2.113 7.208) 10.762 18.475 ( -1.677 -0.220 0.785) 1.865 23.638 ( 2.396 0.668 -1.053) 2.701 24.768 ( -1.371 -1.301 -5.111) 5.449 25.361 ( -1.174 7.903 -1.650) 8.159 25.750 ( -3.708 -3.661 2.161) 5.641 26.480 ( -3.605 -0.488 1.901) 4.104 26.643 ( 8.979 -1.854 1.843) 9.352 33.469 ( 0.978 0.370 -0.819) 1.329 ======================= Grid point 281 (147/165) ======================= q-point: ( 0.50 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -2.682 -1.952 -0.974) 3.457 0.923 ( -0.667 1.923 -1.867) 2.762 1.079 ( 4.141 0.421 -2.564) 4.889 1.230 ( 4.231 -1.853 1.177) 4.767 1.292 ( -2.575 0.777 0.549) 2.745 1.326 ( -6.138 -1.465 -1.341) 6.451 1.399 ( -0.046 -4.211 1.661) 4.527 1.511 ( -0.833 0.327 3.252) 3.373 1.672 ( -2.848 -0.299 0.013) 2.863 1.719 ( 2.127 0.743 2.144) 3.111 1.818 ( -4.238 -0.222 -4.264) 6.016 1.867 ( -4.097 -1.790 -0.197) 4.475 1.989 ( -8.801 -1.945 -2.116) 9.258 2.158 ( -15.386 1.278 -0.537) 15.448 2.478 ( 13.144 0.235 3.401) 13.579 3.344 ( 10.303 -8.705 6.194) 14.843 3.898 ( 9.119 -18.836 -3.288) 21.184 4.375 ( -4.287 -4.760 -4.496) 7.826 4.579 ( 3.249 2.870 -0.792) 4.407 5.129 ( 10.520 4.851 -0.896) 11.619 5.158 ( 13.540 6.950 5.240) 16.096 5.291 ( -14.472 0.528 -7.269) 16.203 5.873 ( 4.034 -4.919 3.037) 7.050 6.455 ( -2.395 8.262 2.651) 9.002 6.773 ( -9.085 0.781 -5.316) 10.555 7.066 ( -6.614 -1.271 5.201) 8.509 8.346 ( 4.352 1.194 4.791) 6.582 10.596 ( -0.784 -0.886 0.719) 1.384 10.837 ( -2.974 4.348 0.836) 5.334 11.309 ( 1.311 -9.035 -1.192) 9.207 11.834 ( -7.432 6.782 -2.715) 10.421 12.986 ( 3.168 0.350 -7.940) 8.556 13.404 ( 3.162 -0.863 1.332) 3.538 13.747 ( -1.552 -0.562 -0.012) 1.650 14.026 ( -0.308 0.566 -1.576) 1.702 14.250 ( -6.680 -4.255 0.690) 7.950 14.808 ( 8.019 5.188 6.491) 11.548 18.461 ( -2.204 -0.385 -0.074) 2.239 23.637 ( 1.357 1.407 -0.737) 2.089 24.771 ( -1.676 -3.745 -4.667) 6.214 25.193 ( -0.910 9.686 -0.711) 9.755 25.804 ( 0.092 -3.551 2.103) 4.128 26.459 ( -3.816 -1.028 0.722) 4.018 26.751 ( 5.671 -0.818 1.185) 5.851 33.469 ( 1.015 0.689 -0.080) 1.230 ======================= Grid point 282 (148/165) ======================= q-point: (-0.38 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 0.228 -1.593 5.823) 6.041 0.913 ( 0.454 -1.873 -2.769) 3.373 1.110 ( 2.560 -0.896 -2.422) 3.636 1.162 ( -8.670 1.386 -0.303) 8.785 1.291 ( -1.086 -0.500 1.101) 1.625 1.349 ( 2.851 -3.275 -0.953) 4.446 1.470 ( -3.537 -3.907 0.426) 5.288 1.565 ( 5.025 -0.741 1.642) 5.338 1.631 ( -2.537 1.029 -0.333) 2.758 1.715 ( -1.346 1.316 1.184) 2.224 1.775 ( -0.361 -0.447 -1.150) 1.286 1.852 ( -4.084 -2.445 -1.294) 4.933 1.944 ( -10.378 -0.042 -1.776) 10.529 2.003 ( -2.923 -0.703 -0.081) 3.008 2.655 ( 15.991 1.935 7.212) 17.648 3.645 ( 10.286 -11.060 6.139) 16.304 4.169 ( 7.293 4.987 -8.022) 11.934 4.413 ( -12.007 4.930 -8.119) 15.310 4.427 ( -6.858 -18.642 0.228) 19.865 5.072 ( -12.888 1.771 -6.594) 14.585 5.237 ( 17.071 2.240 7.385) 18.735 5.339 ( 20.697 1.767 3.959) 21.146 5.943 ( 3.148 2.736 0.811) 4.249 6.245 ( -13.734 6.225 0.194) 15.080 6.671 ( -7.621 -2.988 -7.157) 10.873 7.006 ( -6.215 1.732 3.336) 7.263 8.399 ( 5.538 1.292 4.420) 7.203 10.610 ( -1.146 -2.182 0.169) 2.471 10.754 ( -1.037 3.546 0.267) 3.704 11.512 ( 3.669 -11.897 0.910) 12.483 11.654 ( -5.008 5.780 -0.561) 7.668 12.952 ( -1.795 1.038 -5.148) 5.550 13.469 ( 4.439 -1.094 1.248) 4.739 13.737 ( -0.303 0.339 -0.416) 0.616 14.056 ( 1.783 -3.498 -0.775) 4.002 14.251 ( -5.106 -3.689 -0.136) 6.301 14.790 ( 5.138 8.079 3.360) 10.147 18.444 ( -1.937 -0.473 -0.418) 2.038 23.615 ( 0.235 2.011 -0.298) 2.047 24.824 ( -1.410 -6.641 -2.673) 7.296 25.034 ( 0.136 8.452 -0.678) 8.480 25.874 ( 1.910 -2.571 1.363) 3.480 26.439 ( -2.863 -0.501 0.241) 2.917 26.792 ( 1.908 1.137 0.438) 2.263 33.467 ( 0.847 0.724 0.187) 1.130 ======================= Grid point 283 (149/165) ======================= q-point: (-0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 0.987 -2.040 5.932) 6.350 0.986 ( 5.936 -2.807 -1.202) 6.676 1.079 ( -4.957 -1.507 1.664) 5.442 1.146 ( 1.728 -1.308 -3.348) 3.989 1.271 ( 0.006 0.490 -0.074) 0.496 1.435 ( -1.847 -3.418 0.351) 3.901 1.499 ( 1.495 0.151 -0.895) 1.749 1.548 ( -0.748 -0.315 -1.048) 1.326 1.629 ( 1.273 1.555 1.323) 2.406 1.706 ( -0.272 -0.586 0.978) 1.172 1.756 ( 1.801 3.951 -0.011) 4.342 1.814 ( -5.427 -2.273 -3.341) 6.766 1.921 ( 1.411 -3.565 -0.116) 3.836 2.018 ( -0.450 -0.928 1.204) 1.585 2.745 ( 5.418 5.114 4.018) 8.465 3.852 ( 6.253 12.955 3.782) 14.874 4.027 ( -1.429 0.523 -4.647) 4.890 4.209 ( -10.764 -6.899 -4.117) 13.432 4.725 ( 4.662 -11.725 -0.862) 12.647 4.879 ( -7.257 4.243 -3.485) 9.100 5.396 ( 4.708 -2.184 2.858) 5.925 5.511 ( 7.680 0.740 3.897) 8.644 5.887 ( 5.729 7.954 1.493) 9.915 6.014 ( -12.254 1.461 -3.705) 12.885 6.656 ( -5.994 -5.434 -1.583) 8.244 6.939 ( 2.396 3.829 0.257) 4.524 8.447 ( 3.367 0.285 1.375) 3.648 10.657 ( -0.186 -4.090 0.979) 4.210 10.697 ( -0.577 2.002 -0.899) 2.269 11.514 ( -0.197 6.447 -0.920) 6.515 11.782 ( 0.836 -14.869 3.153) 15.223 12.897 ( -2.280 0.501 -1.293) 2.668 13.526 ( 1.902 -1.068 -0.069) 2.182 13.718 ( -1.426 0.738 -0.353) 1.644 14.142 ( -2.892 -5.487 1.808) 6.461 14.288 ( 5.343 -2.784 -3.583) 7.009 14.681 ( 1.006 9.754 0.447) 9.816 18.436 ( -0.862 -0.485 0.012) 0.989 23.579 ( -0.411 2.093 0.360) 2.163 24.904 ( 1.091 3.236 0.590) 3.465 24.954 ( -0.617 -6.767 -2.360) 7.193 25.931 ( 1.558 -1.552 -0.169) 2.206 26.416 ( -0.901 1.096 0.385) 1.470 26.763 ( -1.030 2.947 0.442) 3.153 33.466 ( 0.617 0.342 -0.036) 0.706 ======================= Grid point 284 (150/165) ======================= q-point: (-0.12 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 1.055 -0.386 3.871) 4.031 0.979 ( -6.240 -1.043 -2.287) 6.727 1.153 ( 0.562 -3.219 -1.992) 3.827 1.200 ( 7.599 -0.281 -1.196) 7.698 1.273 ( 1.070 1.109 -1.052) 1.866 1.389 ( -4.497 1.286 2.357) 5.237 1.495 ( 1.728 0.512 0.726) 1.943 1.581 ( -0.868 -0.641 -1.784) 2.085 1.607 ( 0.282 2.340 -1.570) 2.832 1.712 ( -2.347 -0.767 -0.655) 2.554 1.732 ( 6.258 0.465 1.352) 6.419 1.882 ( 8.308 -2.118 2.111) 8.830 1.986 ( 0.671 -2.444 0.830) 2.667 2.042 ( 2.884 -1.451 -0.081) 3.229 2.639 ( -6.013 6.180 -2.178) 8.893 3.511 ( -7.911 17.964 -3.615) 19.959 3.929 ( 1.818 12.831 0.725) 12.979 4.398 ( 1.063 -13.305 5.031) 14.264 4.767 ( -5.745 -1.565 -1.976) 6.274 4.921 ( 9.998 -1.889 4.028) 10.943 5.351 ( -17.239 -2.261 -4.285) 17.907 5.476 ( -12.019 -0.499 -5.674) 13.300 5.809 ( 1.366 2.694 -1.045) 3.196 6.040 ( 16.653 3.655 7.534) 18.640 6.691 ( -3.843 -4.645 3.746) 7.097 6.946 ( 10.125 3.537 -1.559) 10.838 8.463 ( -1.104 -1.022 -2.996) 3.352 10.646 ( -0.062 2.404 -0.142) 2.409 10.773 ( 0.165 -8.160 0.935) 8.215 11.415 ( 0.283 5.385 -0.936) 5.473 12.022 ( -1.716 -12.888 1.535) 13.093 12.894 ( 1.318 -0.691 1.435) 2.067 13.533 ( -3.284 -1.212 -2.063) 4.063 13.693 ( -1.035 0.667 1.317) 1.803 14.168 ( -5.472 -2.755 2.721) 6.704 14.398 ( 8.411 0.121 -8.584) 12.018 14.530 ( 0.062 5.824 1.332) 5.974 18.442 ( 0.408 -0.337 0.928) 1.068 23.550 ( 0.310 1.296 0.793) 1.550 24.848 ( 2.290 3.454 -1.887) 4.554 25.111 ( -1.082 -11.322 0.339) 11.379 25.953 ( -0.626 -0.979 -1.684) 2.046 26.386 ( 1.661 3.308 0.932) 3.817 26.690 ( -2.239 3.938 1.712) 4.842 33.468 ( 0.330 -0.211 -0.800) 0.891 ======================= Grid point 288 (151/165) ======================= q-point: ( 0.38 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -3.030 -0.000 -3.764) 4.832 1.008 ( -0.005 -0.000 -1.335) 1.335 1.142 ( 2.205 0.000 -0.238) 2.218 1.144 ( -0.246 -0.000 -1.160) 1.186 1.195 ( 2.990 0.000 1.083) 3.180 1.332 ( 1.815 0.000 0.315) 1.842 1.389 ( -17.409 -0.000 -3.624) 17.782 1.522 ( 0.369 0.000 3.112) 3.134 1.659 ( -0.168 -0.000 -4.884) 4.887 1.714 ( -1.381 -0.000 1.363) 1.941 1.766 ( -2.957 -0.000 3.368) 4.482 1.881 ( -1.901 -0.000 -1.182) 2.238 1.943 ( -12.669 -0.000 -4.319) 13.385 2.190 ( -9.898 -0.000 0.599) 9.916 2.487 ( 12.241 0.000 3.185) 12.649 3.166 ( 4.691 0.000 7.916) 9.202 3.472 ( 3.612 0.000 -5.659) 6.713 4.279 ( 1.081 0.000 -7.243) 7.324 4.653 ( 13.851 0.000 5.253) 14.814 5.178 ( 9.194 0.000 -2.804) 9.612 5.296 ( -11.318 -0.000 -5.569) 12.614 5.456 ( 2.731 0.000 -0.076) 2.732 5.647 ( 4.279 0.000 8.797) 9.782 6.612 ( 4.021 0.000 -3.959) 5.643 6.919 ( -6.327 -0.000 3.366) 7.167 6.934 ( -11.709 -0.000 4.862) 12.679 8.368 ( 4.624 0.000 5.157) 6.926 10.589 ( 0.090 0.000 1.385) 1.388 10.934 ( -5.180 -0.000 0.575) 5.212 11.137 ( -0.039 -0.000 -2.691) 2.692 11.960 ( -9.036 -0.000 -3.808) 9.805 12.992 ( 5.927 0.000 -10.975) 12.473 13.387 ( 2.486 0.000 2.413) 3.465 13.732 ( 0.409 0.000 0.513) 0.656 14.098 ( -7.474 -0.000 -1.442) 7.612 14.112 ( -4.073 -0.000 -0.174) 4.076 14.904 ( 9.657 0.000 9.086) 13.260 18.454 ( -2.190 -0.000 0.222) 2.201 23.662 ( 1.803 0.000 -1.258) 2.199 24.715 ( -2.594 -0.000 -4.318) 5.038 25.425 ( -0.058 -0.000 -2.229) 2.230 25.683 ( -2.160 -0.000 2.497) 3.302 26.441 ( -3.723 -0.000 0.999) 3.855 26.728 ( 7.493 0.000 1.920) 7.735 33.482 ( 1.266 0.000 -0.264) 1.293 ======================= Grid point 289 (152/165) ======================= q-point: ( 0.50 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -1.800 -5.133 -4.734) 7.211 0.952 ( -2.745 3.619 -0.216) 4.547 1.083 ( -1.127 0.318 -1.937) 2.263 1.183 ( -15.640 -0.425 -5.900) 16.722 1.208 ( -0.284 -4.084 -0.775) 4.167 1.259 ( 2.011 -4.292 -1.002) 4.844 1.349 ( -1.507 0.431 2.440) 2.900 1.552 ( 4.939 0.392 2.247) 5.441 1.632 ( -2.695 -0.390 -1.770) 3.248 1.702 ( -5.197 -2.454 -1.858) 6.040 1.780 ( 3.049 0.832 3.636) 4.818 1.837 ( -1.487 0.865 -0.431) 1.774 1.875 ( -4.096 -1.904 -0.011) 4.517 2.058 ( -9.072 1.699 -1.580) 9.364 2.692 ( 19.175 0.464 7.295) 20.521 3.291 ( 2.771 -7.451 4.876) 9.327 3.626 ( 4.061 -16.342 -4.887) 17.534 4.206 ( -12.070 -2.437 -9.766) 15.717 4.755 ( 7.910 7.861 3.469) 11.679 5.101 ( -6.525 0.250 -6.125) 8.953 5.314 ( 6.288 1.478 0.539) 6.482 5.444 ( 12.100 5.176 4.358) 13.863 5.835 ( 6.451 -6.867 4.425) 10.409 6.576 ( -1.615 3.489 -3.812) 5.414 6.677 ( -13.438 8.976 0.388) 16.164 6.964 ( -6.046 -4.983 4.002) 8.798 8.439 ( 5.366 0.772 4.925) 7.324 10.593 ( 0.124 0.338 0.818) 0.894 10.870 ( -2.313 2.657 0.712) 3.594 11.178 ( -0.453 -6.147 -1.123) 6.265 11.838 ( -5.278 3.425 -2.658) 6.830 12.987 ( 1.543 0.872 -8.695) 8.874 13.434 ( 3.271 -0.768 1.986) 3.902 13.744 ( 1.100 0.104 0.712) 1.315 14.009 ( -3.355 0.302 -1.110) 3.546 14.109 ( -4.964 -3.764 -0.443) 6.246 15.000 ( 7.407 3.752 6.352) 10.454 18.434 ( -1.768 -0.131 -0.069) 1.774 23.665 ( 0.894 0.804 -1.050) 1.596 24.687 ( -2.315 -1.797 -2.943) 4.153 25.336 ( -0.077 8.182 -1.427) 8.306 25.737 ( 0.305 -5.211 1.387) 5.401 26.414 ( -2.674 -0.512 0.697) 2.810 26.799 ( 3.677 -0.282 1.484) 3.975 33.490 ( 1.097 0.492 -0.129) 1.209 ======================= Grid point 290 (153/165) ======================= q-point: (-0.38 -0.62 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 0.735 -5.609 0.374) 5.669 0.931 ( 5.846 0.273 1.232) 5.980 1.034 ( -9.090 -0.964 -3.363) 9.740 1.089 ( -0.744 -1.795 -2.521) 3.183 1.280 ( 0.449 -4.214 0.096) 4.239 1.319 ( -0.561 0.939 1.207) 1.629 1.360 ( 0.851 -5.912 -0.716) 6.016 1.582 ( -1.211 0.252 -3.107) 3.344 1.618 ( -2.222 -1.223 3.397) 4.240 1.688 ( 1.585 -0.518 -0.595) 1.770 1.813 ( -0.618 1.293 -0.820) 1.651 1.837 ( 6.907 0.546 2.321) 7.307 1.870 ( -3.226 -0.912 -0.499) 3.389 1.971 ( -1.552 0.071 -0.804) 1.749 2.856 ( 7.384 1.865 3.969) 8.588 3.504 ( 2.100 -13.311 1.546) 13.564 3.995 ( -5.006 -22.679 -0.537) 23.231 4.108 ( -2.013 -6.683 -6.703) 9.678 4.566 ( 0.293 17.653 -2.086) 17.778 5.023 ( -2.517 2.080 -1.803) 3.730 5.359 ( 0.783 -0.361 1.098) 1.396 5.542 ( 7.493 0.941 3.639) 8.383 5.967 ( -0.909 -3.587 0.180) 3.705 6.344 ( -1.434 16.696 1.208) 16.801 6.530 ( -5.704 -2.132 -1.515) 6.275 6.998 ( 1.448 -1.054 1.683) 2.458 8.482 ( 3.107 1.348 1.588) 3.740 10.590 ( -0.007 0.128 0.358) 0.380 10.810 ( 0.039 3.551 0.505) 3.586 11.318 ( -1.265 -11.515 1.217) 11.648 11.726 ( -0.096 5.382 -1.542) 5.599 12.930 ( -2.777 1.402 -3.793) 4.905 13.486 ( 1.533 -1.354 0.509) 2.107 13.745 ( -0.578 0.773 0.456) 1.067 14.006 ( -0.917 -2.225 -0.178) 2.413 14.151 ( 1.693 -4.820 -1.423) 5.303 14.979 ( 2.881 7.433 1.913) 8.198 18.424 ( -0.601 -0.196 0.166) 0.654 23.645 ( -0.125 1.622 -0.501) 1.702 24.708 ( -1.424 -4.328 -1.113) 4.690 25.184 ( 0.681 9.330 -1.259) 9.440 25.835 ( 1.377 -4.644 0.017) 4.843 26.409 ( -0.969 -0.792 0.973) 1.585 26.820 ( -0.315 0.595 1.056) 1.252 33.487 ( 0.589 0.790 -0.372) 1.053 ======================= Grid point 291 (154/165) ======================= q-point: (-0.25 -0.62 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 1.929 -3.750 1.263) 4.402 0.934 ( -3.115 -0.881 -4.947) 5.911 1.059 ( -0.833 -1.977 1.933) 2.888 1.152 ( 11.213 -2.206 0.896) 11.463 1.304 ( 0.893 0.793 0.546) 1.313 1.335 ( -3.964 -3.264 0.417) 5.152 1.477 ( 3.851 -4.725 -0.420) 6.110 1.551 ( -0.036 0.536 -0.196) 0.572 1.630 ( -1.546 -1.204 0.834) 2.130 1.722 ( 3.160 0.908 0.459) 3.320 1.762 ( -2.787 1.323 -0.447) 3.117 1.873 ( 3.720 -1.765 -2.381) 4.757 1.913 ( 10.042 1.903 1.434) 10.320 1.997 ( 1.498 -1.824 0.928) 2.537 2.783 ( -12.025 2.620 -4.482) 13.098 3.754 ( -3.310 -15.717 -3.490) 16.437 4.005 ( -12.181 3.529 6.873) 14.424 4.318 ( 11.507 11.280 0.783) 16.133 4.464 ( 4.890 -18.847 -3.651) 19.810 4.987 ( 6.444 2.990 2.009) 7.383 5.288 ( -15.066 0.502 -0.321) 15.078 5.493 ( -14.325 1.058 -7.485) 16.197 5.935 ( -3.735 2.322 1.419) 4.621 6.208 ( 15.449 9.436 3.454) 18.430 6.550 ( -0.023 -2.807 4.609) 5.397 7.048 ( 8.542 1.714 -0.912) 8.760 8.469 ( -1.062 1.241 -2.527) 3.009 10.606 ( 0.648 -1.893 0.651) 2.105 10.755 ( 1.017 3.969 0.086) 4.098 11.496 ( -5.187 -10.119 2.236) 11.589 11.669 ( 5.612 2.085 -1.425) 6.155 12.882 ( -2.036 0.070 1.249) 2.389 13.500 ( -2.741 -1.060 -1.690) 3.390 13.720 ( -0.959 0.908 1.205) 1.788 14.037 ( -2.452 -3.256 0.678) 4.132 14.288 ( 9.041 -4.927 -3.256) 10.799 14.839 ( -2.135 9.674 -1.518) 10.022 18.431 ( 0.862 -0.273 0.851) 1.241 23.609 ( -0.713 1.990 0.261) 2.130 24.791 ( -0.888 -7.224 0.719) 7.314 25.046 ( 1.997 8.100 -1.939) 8.565 25.905 ( 0.683 -2.608 -1.745) 3.212 26.427 ( 1.373 -0.395 1.397) 1.998 26.786 ( -2.953 1.708 1.254) 3.634 33.476 ( -0.020 0.629 -0.716) 0.953 ======================= Grid point 292 (155/165) ======================= q-point: (-0.12 -0.62 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 2.383 -2.280 -0.624) 3.357 0.918 ( 0.018 0.314 0.770) 0.832 1.036 ( -8.925 -3.582 -3.808) 10.343 1.237 ( -1.707 0.999 -2.268) 3.010 1.320 ( 3.314 0.570 2.152) 3.992 1.364 ( 3.548 -1.403 -1.378) 4.057 1.552 ( 0.045 -1.558 -1.475) 2.146 1.564 ( 4.064 1.139 1.382) 4.441 1.607 ( -2.679 0.782 -1.263) 3.063 1.707 ( 0.651 1.326 0.281) 1.503 1.770 ( 1.904 -1.146 3.055) 3.778 1.924 ( 0.064 -0.949 -1.602) 1.863 2.048 ( 4.716 -2.329 1.518) 5.474 2.093 ( 22.496 -0.165 2.381) 22.622 2.557 ( -16.575 1.708 -6.068) 17.734 3.617 ( -17.567 10.419 -3.769) 20.769 4.000 ( 0.651 -4.467 2.303) 5.067 4.355 ( 4.488 0.806 5.055) 6.808 4.731 ( 8.815 -5.301 0.973) 10.332 5.048 ( -8.243 3.959 1.134) 9.215 5.123 ( -1.090 -2.975 1.026) 3.330 5.230 ( -16.982 -1.224 -10.853) 20.191 5.892 ( 1.424 2.745 0.678) 3.166 6.273 ( 9.820 2.886 4.667) 11.250 6.649 ( 4.820 -2.537 7.618) 9.365 7.098 ( 8.435 2.927 -2.084) 9.168 8.409 ( -4.072 0.310 -5.208) 6.619 10.671 ( 0.568 -3.357 0.166) 3.409 10.706 ( 1.343 2.293 1.156) 2.898 11.496 ( -0.739 3.519 -0.150) 3.599 11.795 ( -0.603 -10.720 -0.859) 10.771 12.900 ( 0.592 -1.491 3.432) 3.788 13.458 ( -5.137 -0.712 -2.156) 5.617 13.720 ( 2.102 0.803 2.246) 3.179 14.063 ( -4.014 -3.579 0.705) 5.424 14.430 ( 7.458 -2.198 -7.130) 10.549 14.639 ( -3.477 8.166 -0.431) 8.886 18.455 ( 1.679 -0.202 1.482) 2.249 23.577 ( -0.149 1.324 0.741) 1.525 24.926 ( -1.077 -9.591 1.714) 9.802 24.946 ( 2.964 6.035 -3.161) 7.430 25.917 ( -1.630 -0.729 -2.739) 3.269 26.457 ( 3.976 1.040 1.669) 4.436 26.722 ( -3.626 2.406 1.993) 4.786 33.463 ( -0.376 0.115 -1.068) 1.138 ======================= Grid point 297 (156/165) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -2.955 -0.000 -7.214) 7.796 0.960 ( -0.368 -0.000 2.346) 2.375 1.039 ( -4.747 -0.000 -3.755) 6.053 1.066 ( -1.535 -0.000 -2.103) 2.604 1.152 ( 0.544 0.000 -0.765) 0.938 1.231 ( 0.746 0.000 -1.545) 1.715 1.355 ( 0.134 0.000 1.385) 1.391 1.584 ( -5.223 -0.000 5.151) 7.336 1.595 ( -1.587 -0.000 -2.685) 3.119 1.674 ( 5.617 0.000 -1.361) 5.779 1.826 ( 1.825 0.000 0.098) 1.828 1.829 ( 0.245 0.000 0.526) 0.580 1.867 ( 2.770 0.000 1.254) 3.041 1.997 ( -2.991 -0.000 -1.563) 3.375 2.885 ( 7.976 0.000 3.803) 8.836 3.245 ( -1.565 -0.000 5.717) 5.928 3.503 ( 4.583 0.000 -8.500) 9.657 4.015 ( -9.071 -0.000 -5.657) 10.690 4.922 ( 3.924 0.000 2.187) 4.492 5.047 ( -2.666 -0.000 -1.688) 3.156 5.349 ( -0.696 -0.000 0.204) 0.725 5.568 ( 2.329 0.000 0.065) 2.330 5.856 ( 3.273 0.000 3.341) 4.677 6.496 ( -6.434 -0.000 -1.417) 6.588 6.787 ( -0.623 -0.000 1.200) 1.353 6.850 ( 1.818 0.000 2.884) 3.409 8.508 ( 3.180 0.000 1.976) 3.744 10.604 ( 0.516 0.000 0.333) 0.614 10.882 ( -0.016 -0.000 0.511) 0.512 11.110 ( -1.492 -0.000 -0.021) 1.492 11.822 ( -1.118 -0.000 -1.349) 1.752 12.963 ( -2.687 -0.000 -5.247) 5.896 13.458 ( 1.190 0.000 0.843) 1.458 13.760 ( -0.011 -0.000 0.839) 0.839 13.977 ( 0.046 0.000 -0.634) 0.636 14.052 ( 0.065 0.000 -0.635) 0.638 15.112 ( 3.677 0.000 2.487) 4.438 18.421 ( -0.436 -0.000 0.181) 0.472 23.672 ( 0.042 0.000 -1.024) 1.024 24.644 ( -1.437 -0.000 -0.907) 1.699 25.410 ( -0.018 -0.000 -1.454) 1.454 25.691 ( 1.121 0.000 0.491) 1.224 26.394 ( -1.019 -0.000 1.095) 1.496 26.824 ( 0.039 0.000 1.204) 1.205 33.503 ( 0.701 0.000 -0.542) 0.887 ======================= Grid point 298 (157/165) ======================= q-point: (-0.38 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 2.565 -8.449 -0.859) 8.872 0.970 ( -1.698 2.492 -2.049) 3.646 1.029 ( 3.575 0.264 3.633) 5.103 1.089 ( 11.131 -1.348 2.154) 11.417 1.206 ( 0.888 -4.272 -0.438) 4.385 1.259 ( -1.460 -3.210 -0.975) 3.659 1.365 ( 0.832 -0.376 1.009) 1.361 1.546 ( -2.362 -0.053 1.109) 2.610 1.587 ( -0.742 -1.237 1.458) 2.051 1.729 ( 4.666 0.131 -1.789) 4.999 1.831 ( 0.451 1.480 0.027) 1.548 1.841 ( 0.771 -0.035 -2.058) 2.198 1.887 ( 1.756 -1.607 -1.172) 2.653 2.024 ( 10.252 1.529 1.670) 10.499 2.831 ( -15.223 0.567 -5.610) 16.234 3.320 ( -2.148 -8.752 2.125) 9.259 3.637 ( 0.715 -14.651 -5.823) 15.782 4.046 ( 8.675 -3.894 4.974) 10.731 4.813 ( -2.995 11.613 -2.333) 12.218 5.020 ( -1.669 0.027 2.044) 2.639 5.318 ( -6.363 0.379 0.187) 6.377 5.526 ( -8.973 0.850 -3.620) 9.713 5.880 ( -3.768 -3.524 -0.070) 5.159 6.475 ( -1.085 0.139 5.226) 5.339 6.678 ( 10.802 12.965 1.093) 16.911 7.003 ( 7.670 -5.147 0.195) 9.239 8.514 ( -0.616 0.952 -2.298) 2.562 10.603 ( 0.590 0.668 -0.164) 0.907 10.874 ( 2.171 2.575 0.334) 3.385 11.152 ( -1.942 -6.619 1.477) 7.054 11.808 ( 3.370 2.839 0.212) 4.412 12.897 ( -5.585 0.566 0.025) 5.614 13.464 ( -1.570 -0.833 -0.907) 1.996 13.746 ( -1.714 0.510 0.629) 1.895 13.998 ( 2.954 0.687 -0.043) 3.033 14.116 ( 6.207 -4.502 -1.053) 7.740 15.088 ( -1.444 4.436 -2.361) 5.228 18.427 ( 1.116 -0.021 0.626) 1.280 23.658 ( -0.938 0.762 -0.524) 1.317 24.649 ( -0.219 -1.701 0.896) 1.935 25.330 ( 0.494 7.625 -1.032) 7.711 25.762 ( 1.758 -5.245 -1.057) 5.632 26.403 ( 0.971 -0.518 1.757) 2.073 26.808 ( -3.756 -0.023 0.796) 3.840 33.499 ( -0.070 0.528 -1.035) 1.164 ======================= Grid point 299 (158/165) ======================= q-point: (-0.25 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 3.411 -6.185 -1.117) 7.150 0.919 ( -0.816 1.038 -2.229) 2.590 1.016 ( -3.572 1.609 3.309) 5.128 1.230 ( -4.023 -0.997 1.050) 4.276 1.296 ( 0.375 -2.758 -0.046) 2.784 1.310 ( 14.903 -1.405 1.712) 15.067 1.421 ( 0.416 -5.325 -0.724) 5.391 1.554 ( 2.534 -0.149 -0.564) 2.600 1.630 ( 1.835 -1.448 3.398) 4.125 1.743 ( -0.805 0.401 -0.752) 1.172 1.782 ( 0.728 2.629 -0.997) 2.905 1.873 ( 4.095 -1.199 -1.276) 4.454 1.957 ( 4.188 -2.800 1.219) 5.184 2.147 ( 18.114 2.292 0.565) 18.267 2.585 ( -21.046 0.307 -6.890) 22.147 3.461 ( -5.127 -11.564 -5.018) 13.608 3.830 ( -10.489 -12.257 4.104) 16.646 4.313 ( 11.887 -11.192 1.213) 16.372 4.575 ( -1.031 9.697 -0.980) 9.801 5.042 ( -1.682 -0.480 5.891) 6.145 5.214 ( -1.657 3.196 0.446) 3.627 5.313 ( -15.621 4.697 -8.731) 18.501 5.910 ( -2.034 -2.863 -0.293) 3.524 6.438 ( -0.925 5.099 4.505) 6.866 6.672 ( 14.378 5.863 4.343) 16.124 7.140 ( 8.101 -1.180 -2.079) 8.446 8.448 ( -4.171 1.605 -5.177) 6.839 10.605 ( 1.196 -0.097 -0.063) 1.202 10.845 ( 2.749 4.335 0.106) 5.134 11.280 ( -2.511 -10.203 1.825) 10.665 11.797 ( 6.008 4.970 0.826) 7.841 12.854 ( -4.056 -1.050 4.348) 6.038 13.440 ( -3.623 -0.476 -2.084) 4.206 13.734 ( 0.560 0.139 1.273) 1.397 14.006 ( 0.737 0.599 0.235) 0.978 14.285 ( 8.867 -5.709 -2.442) 10.825 14.926 ( -6.261 7.663 -5.159) 11.160 18.449 ( 2.204 -0.082 1.050) 2.442 23.626 ( -1.520 1.284 0.227) 2.002 24.701 ( 0.113 -3.807 2.351) 4.476 25.199 ( 1.812 8.587 -1.481) 8.900 25.851 ( 1.297 -3.757 -2.676) 4.792 26.446 ( 3.216 -0.988 2.035) 3.932 26.758 ( -5.960 -0.061 0.847) 6.021 33.478 ( -0.854 0.666 -1.129) 1.564 ======================= Grid point 300 (159/165) ======================= q-point: (-0.12 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 3.023 -3.360 -1.316) 4.707 0.861 ( -11.082 -1.112 -1.661) 11.261 0.978 ( 3.350 1.588 2.393) 4.413 1.197 ( -4.788 -0.295 -0.164) 4.800 1.335 ( 1.225 -1.605 -0.572) 2.098 1.425 ( 7.014 1.463 -2.345) 7.539 1.476 ( -3.762 -3.653 -3.287) 6.189 1.556 ( -0.781 0.963 -2.507) 2.796 1.687 ( 3.993 0.196 2.390) 4.657 1.711 ( -1.386 0.890 -1.365) 2.139 1.779 ( 0.842 -0.867 4.657) 4.811 1.924 ( 2.160 -0.186 -0.396) 2.204 2.080 ( 9.010 -1.776 2.358) 9.481 2.317 ( 1.946 -2.311 -2.748) 4.085 2.402 ( 4.080 1.415 2.100) 4.802 3.439 ( -17.146 -2.391 -8.113) 19.118 3.928 ( -2.224 -8.661 6.358) 10.972 4.423 ( 1.531 2.136 0.748) 2.733 4.672 ( 1.252 -13.157 -1.967) 13.362 4.921 ( -9.194 4.043 -0.075) 10.044 5.021 ( -11.619 7.398 -9.652) 16.819 5.339 ( 18.849 0.014 8.603) 20.719 5.902 ( -3.250 0.090 -1.547) 3.601 6.379 ( -0.096 2.799 3.957) 4.848 6.762 ( 9.475 1.883 4.716) 10.750 7.182 ( 2.541 1.441 -3.435) 4.509 8.353 ( -4.798 1.010 -4.600) 6.723 10.636 ( 1.329 -1.957 0.211) 2.375 10.791 ( 1.906 5.017 0.096) 5.367 11.422 ( -2.432 -8.766 0.640) 9.120 11.775 ( 4.539 4.756 0.424) 6.588 12.880 ( -1.092 -2.466 5.044) 5.720 13.403 ( -2.106 -0.184 -1.266) 2.464 13.765 ( 2.961 -0.486 2.429) 3.860 13.998 ( -1.588 -0.166 -0.164) 1.605 14.426 ( 4.882 -3.064 -5.957) 8.289 14.705 ( -6.404 6.822 -2.729) 9.747 18.479 ( 2.053 -0.030 1.087) 2.323 23.593 ( -1.109 0.998 0.661) 1.632 24.794 ( -0.533 -6.301 2.946) 6.976 25.081 ( 2.915 7.757 -2.564) 8.674 25.880 ( -0.462 -0.753 -3.029) 3.155 26.513 ( 4.848 -0.750 1.341) 5.085 26.700 ( -5.631 -0.049 1.265) 5.772 33.455 ( -1.027 0.283 -0.804) 1.335 ======================= Grid point 306 (160/165) ======================= q-point: (-0.38 -0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 7.286 0.000 1.684) 7.478 0.962 ( -3.909 -0.000 2.936) 4.889 1.113 ( 2.895 0.000 1.592) 3.304 1.136 ( 2.190 0.000 -0.361) 2.219 1.224 ( 0.115 0.000 -1.853) 1.857 1.300 ( 20.909 0.000 4.717) 21.434 1.309 ( -9.123 -0.000 3.532) 9.783 1.563 ( 2.805 0.000 -1.063) 3.000 1.575 ( 0.283 0.000 2.107) 2.126 1.754 ( 1.332 0.000 -2.303) 2.661 1.839 ( -0.487 -0.000 -3.836) 3.867 1.867 ( 2.251 0.000 0.229) 2.262 1.896 ( 6.488 0.000 1.097) 6.580 2.191 ( 15.429 0.000 0.420) 15.434 2.590 ( -21.292 -0.000 -6.875) 22.374 3.223 ( -3.612 -0.000 2.533) 4.412 3.504 ( 1.875 0.000 -8.894) 9.089 4.130 ( 4.819 0.000 7.884) 9.240 4.782 ( -15.086 -0.000 -7.268) 16.745 5.039 ( 2.480 0.000 7.695) 8.084 5.268 ( -3.294 -0.000 -0.127) 3.297 5.460 ( -4.642 -0.000 -0.757) 4.703 5.784 ( -3.614 -0.000 -4.573) 5.829 6.497 ( -1.760 -0.000 7.137) 7.351 6.947 ( 7.979 0.000 0.457) 7.992 7.008 ( 11.802 0.000 -1.793) 11.938 8.480 ( -4.083 -0.000 -5.564) 6.901 10.614 ( 0.676 0.000 -0.957) 1.172 10.938 ( 4.826 0.000 0.191) 4.830 11.084 ( -1.568 -0.000 2.507) 2.957 11.892 ( 6.548 0.000 2.699) 7.082 12.837 ( -7.111 -0.000 3.976) 8.147 13.430 ( -2.249 -0.000 -1.859) 2.918 13.736 ( -0.995 -0.000 0.358) 1.058 14.082 ( 6.888 0.000 0.030) 6.888 14.118 ( 5.529 0.000 -0.623) 5.564 15.066 ( -6.154 -0.000 -6.922) 9.262 18.449 ( 2.333 0.000 0.765) 2.455 23.647 ( -1.954 -0.000 -0.095) 1.956 24.650 ( 1.241 0.000 2.335) 2.645 25.402 ( 0.023 0.000 -0.213) 0.214 25.730 ( 3.320 0.000 -1.983) 3.867 26.428 ( 2.849 0.000 2.311) 3.668 26.749 ( -7.368 -0.000 0.129) 7.369 33.493 ( -1.011 -0.000 -1.421) 1.743 ======================= Grid point 307 (161/165) ======================= q-point: (-0.25 -0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 6.911 -4.765 -0.171) 8.397 0.911 ( -5.386 2.624 4.162) 7.295 1.055 ( -3.425 2.933 -0.380) 4.525 1.174 ( -2.624 -0.428 0.242) 2.670 1.241 ( 1.113 -4.366 -0.066) 4.506 1.297 ( -1.173 -3.110 -0.044) 3.324 1.509 ( 13.035 1.618 1.124) 13.183 1.572 ( 1.148 -0.001 -2.184) 2.467 1.621 ( 1.167 -2.516 3.868) 4.760 1.736 ( -2.150 0.317 -1.626) 2.715 1.803 ( -2.384 0.872 -0.983) 2.722 1.906 ( 4.573 -0.206 -0.139) 4.580 2.026 ( 14.034 -1.266 4.655) 14.840 2.251 ( -8.255 -1.329 -3.226) 8.962 2.457 ( 4.810 1.415 0.227) 5.019 3.235 ( -6.459 -6.120 -4.340) 9.900 3.562 ( -2.756 -9.367 -2.888) 10.182 4.229 ( 1.522 -7.373 2.956) 8.088 4.562 ( -13.584 2.000 -4.371) 14.409 5.040 ( -6.207 1.980 1.881) 6.781 5.314 ( 1.928 7.115 -0.317) 7.378 5.357 ( 12.528 3.068 4.840) 13.776 5.805 ( -1.676 -5.739 -4.119) 7.260 6.473 ( -5.176 1.555 5.380) 7.626 6.919 ( 6.117 6.658 -0.262) 9.046 7.160 ( 5.912 -2.987 -3.836) 7.654 8.391 ( -6.173 0.850 -5.696) 8.442 10.615 ( 1.010 0.086 -1.254) 1.612 10.954 ( 4.531 4.170 0.390) 6.170 11.143 ( 0.208 -6.038 2.467) 6.526 11.955 ( 7.805 3.746 4.113) 9.585 12.805 ( -4.499 -1.554 6.563) 8.107 13.403 ( -1.172 0.037 -1.980) 2.301 13.738 ( 0.311 -0.687 0.542) 0.929 14.074 ( 3.247 4.394 0.410) 5.479 14.260 ( 6.094 -6.032 -1.674) 8.736 14.911 ( -9.516 4.075 -8.467) 13.374 18.478 ( 2.524 -0.009 0.543) 2.582 23.619 ( -2.638 0.399 0.585) 2.731 24.685 ( 1.505 -0.913 3.204) 3.656 25.342 ( 1.108 6.633 -0.112) 6.726 25.801 ( 3.833 -3.596 -2.827) 5.968 26.480 ( 4.222 -0.609 1.990) 4.707 26.667 ( -9.129 -1.237 -0.176) 9.214 33.469 ( -1.724 0.344 -0.997) 2.021 ======================= Grid point 308 (162/165) ======================= q-point: (-0.12 -0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -6.448 1.015 6.409) 9.148 0.836 ( 5.262 -0.423 -0.203) 5.283 1.007 ( -1.087 -1.116 -1.561) 2.205 1.157 ( -1.320 0.516 -0.762) 1.609 1.328 ( 2.202 -2.865 1.020) 3.755 1.346 ( 0.091 -4.018 -2.795) 4.895 1.526 ( 2.808 3.594 -2.347) 5.130 1.554 ( -1.674 1.354 -0.798) 2.296 1.657 ( -3.622 -1.086 0.353) 3.798 1.722 ( -0.227 -0.813 -0.153) 0.858 1.782 ( -1.137 -1.127 3.010) 3.410 1.950 ( 2.698 0.254 -0.102) 2.712 2.159 ( -8.513 -1.887 0.445) 8.731 2.220 ( 11.923 0.485 2.852) 12.269 2.520 ( 2.012 -1.438 2.784) 3.723 3.206 ( -8.227 -5.184 -9.719) 13.748 3.734 ( -0.477 -13.203 3.148) 13.582 4.422 ( 4.808 -8.389 -0.441) 9.679 4.466 ( -1.474 -2.471 0.284) 2.892 4.930 ( -4.192 2.700 -1.908) 5.339 5.111 ( 0.932 11.995 -3.162) 12.439 5.558 ( 13.535 0.995 5.468) 14.632 5.835 ( -2.537 -2.455 -3.183) 4.753 6.406 ( -4.706 1.456 3.507) 6.047 6.882 ( 2.138 2.870 -0.529) 3.617 7.184 ( -0.810 0.579 -4.954) 5.053 8.299 ( -5.123 0.488 -1.916) 5.491 10.627 ( 1.064 -0.766 -1.112) 1.719 10.907 ( 2.387 6.042 0.180) 6.499 11.274 ( 0.807 -7.494 1.245) 7.640 11.953 ( 6.215 7.591 4.055) 10.615 12.849 ( -0.196 -2.994 6.145) 6.839 13.396 ( 1.479 0.123 -0.798) 1.685 13.766 ( -0.241 -1.795 0.973) 2.056 14.035 ( 2.250 3.407 0.984) 4.200 14.380 ( 1.605 -4.053 -5.122) 6.726 14.707 ( -7.890 4.507 -4.385) 10.089 18.501 ( 1.424 0.079 -0.009) 1.426 23.589 ( -2.398 0.285 0.890) 2.574 24.736 ( 0.492 -2.409 3.531) 4.303 25.235 ( 2.374 8.076 -0.904) 8.466 25.865 ( 2.604 -0.892 -2.627) 3.805 26.534 ( 0.070 -1.366 -0.320) 1.404 26.622 ( -3.477 -2.621 0.617) 4.398 33.444 ( -1.440 0.169 0.005) 1.450 ======================= Grid point 315 (163/165) ======================= q-point: (-0.25 -0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 7.993 0.000 -0.474) 8.007 0.918 ( -2.581 -0.000 4.511) 5.197 0.986 ( -9.442 -0.000 1.075) 9.503 1.162 ( 1.307 0.000 -0.984) 1.636 1.193 ( -0.328 -0.000 -3.141) 3.158 1.332 ( 5.644 0.000 5.603) 7.953 1.557 ( -0.734 -0.000 -2.195) 2.314 1.621 ( 2.065 0.000 2.653) 3.362 1.642 ( 5.365 0.000 -0.100) 5.366 1.675 ( -8.634 -0.000 0.553) 8.652 1.771 ( -3.058 -0.000 -1.433) 3.377 1.951 ( 4.135 0.000 0.081) 4.136 2.113 ( -9.285 -0.000 -0.698) 9.311 2.221 ( 18.051 0.000 6.058) 19.041 2.504 ( -3.472 -0.000 1.383) 3.738 3.078 ( -10.510 -0.000 -6.249) 12.227 3.454 ( -0.419 -0.000 -4.836) 4.854 4.240 ( 12.927 0.000 2.584) 13.183 4.451 ( -5.203 -0.000 1.869) 5.529 4.965 ( -8.244 -0.000 -4.715) 9.497 5.450 ( 2.050 0.000 0.162) 2.056 5.570 ( 17.465 0.000 7.185) 18.885 5.698 ( -1.299 -0.000 -6.996) 7.115 6.432 ( -8.007 -0.000 3.674) 8.810 6.961 ( -5.062 -0.000 -2.061) 5.465 7.179 ( 4.768 0.000 -6.312) 7.910 8.310 ( -6.323 -0.000 -2.528) 6.809 10.618 ( 0.843 0.000 -1.941) 2.116 11.073 ( 7.038 0.000 0.205) 7.041 11.093 ( 0.103 0.000 3.174) 3.175 12.099 ( 8.231 0.000 6.219) 10.316 12.784 ( -1.731 -0.000 7.584) 7.779 13.400 ( 1.888 0.000 -1.398) 2.350 13.731 ( -0.157 -0.000 -0.460) 0.486 14.175 ( 0.144 0.000 0.980) 0.990 14.219 ( 4.127 0.000 -2.235) 4.693 14.802 ( -10.031 -0.000 -8.296) 13.018 18.502 ( 1.742 0.000 -0.358) 1.779 23.592 ( -3.516 -0.000 1.281) 3.742 24.713 ( 2.066 0.000 3.000) 3.643 25.413 ( 0.793 0.000 1.131) 1.381 25.814 ( 6.690 0.000 -2.673) 7.204 26.531 ( 4.668 0.000 1.065) 4.788 26.539 ( -11.309 -0.000 -1.115) 11.364 33.449 ( -1.973 -0.000 0.015) 1.973 ======================= Grid point 316 (164/165) ======================= q-point: (-0.12 -0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 0.919 0.651 3.724) 3.891 0.918 ( 6.322 0.441 3.171) 7.087 0.955 ( -0.904 -1.057 2.887) 3.205 1.154 ( -0.814 0.481 -2.026) 2.236 1.236 ( 1.407 -4.722 -1.684) 5.207 1.398 ( 3.287 0.620 2.789) 4.355 1.536 ( -2.828 0.410 1.083) 3.056 1.565 ( -5.850 1.513 0.416) 6.057 1.618 ( -2.090 1.613 -0.827) 2.766 1.704 ( 1.708 -1.714 1.535) 2.866 1.755 ( -0.446 -1.258 0.670) 1.494 1.985 ( 2.511 0.580 0.033) 2.578 2.051 ( -6.133 -1.344 1.144) 6.381 2.359 ( 0.312 2.583 2.457) 3.579 2.439 ( -5.510 -2.273 -0.101) 5.961 2.985 ( -8.145 -6.667 -6.032) 12.132 3.526 ( -0.858 -10.845 -2.481) 11.158 4.472 ( 22.953 -1.368 -0.407) 22.998 4.513 ( 10.446 -1.387 9.658) 14.294 4.866 ( -5.974 -0.706 -6.480) 8.841 5.346 ( 3.612 12.001 -0.276) 12.536 5.630 ( -5.798 1.412 -5.067) 7.829 5.779 ( 5.223 -4.750 -2.218) 7.400 6.352 ( -8.806 -0.392 1.368) 8.920 6.887 ( -4.703 0.578 -0.777) 4.802 7.157 ( -2.297 0.968 -7.739) 8.130 8.262 ( -2.108 0.050 3.287) 3.905 10.621 ( 0.672 -0.331 -1.942) 2.081 11.035 ( 2.146 6.036 1.096) 6.500 11.204 ( 3.322 -4.659 1.134) 5.834 12.156 ( 6.218 5.554 6.179) 10.377 12.835 ( 1.457 -2.378 6.467) 7.043 13.431 ( 4.784 0.308 -0.035) 4.794 13.731 ( -1.148 -0.979 -1.229) 1.947 14.119 ( 0.235 3.019 1.520) 3.388 14.291 ( -0.528 -4.275 -4.331) 6.109 14.664 ( -6.837 2.159 -3.464) 7.963 18.509 ( 0.150 0.095 -1.188) 1.202 23.562 ( -3.401 -0.200 1.585) 3.758 24.743 ( 1.400 -0.009 2.642) 2.990 25.377 ( 1.858 5.917 1.111) 6.301 25.889 ( 6.112 -0.538 -1.899) 6.422 26.432 ( -9.848 -2.223 -1.677) 10.235 26.594 ( 3.296 -2.036 -0.580) 3.918 33.434 ( -0.989 0.014 1.276) 1.614 ======================= Grid point 324 (165/165) ======================= q-point: (-0.12 -0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -0.688 -0.000 3.336) 3.407 0.967 ( 6.031 0.000 -3.206) 6.830 1.038 ( 8.244 0.000 10.835) 13.615 1.142 ( -0.693 -0.000 -1.005) 1.220 1.210 ( 2.027 0.000 -0.838) 2.193 1.377 ( -7.497 -0.000 -0.978) 7.560 1.481 ( -8.713 -0.000 7.562) 11.537 1.576 ( 3.024 0.000 -1.628) 3.435 1.605 ( -3.285 -0.000 -1.828) 3.759 1.713 ( 1.310 0.000 1.585) 2.056 1.770 ( 4.553 0.000 1.702) 4.861 1.985 ( -6.215 -0.000 2.742) 6.792 2.017 ( 2.155 0.000 -1.123) 2.430 2.277 ( -10.682 -0.000 4.337) 11.529 2.402 ( -4.702 -0.000 -7.578) 8.919 2.847 ( -1.587 -0.000 1.102) 1.932 3.401 ( -1.563 -0.000 -3.238) 3.596 4.715 ( 19.948 0.000 13.478) 24.075 4.746 ( 17.486 0.000 -1.813) 17.580 4.779 ( 5.941 0.000 -7.100) 9.258 5.505 ( 2.256 0.000 2.092) 3.077 5.510 ( -11.292 -0.000 -8.184) 13.946 5.714 ( -3.408 -0.000 -6.787) 7.594 6.237 ( -11.208 -0.000 -1.967) 11.379 6.827 ( -6.942 -0.000 0.841) 6.992 7.090 ( -5.505 -0.000 -9.402) 10.895 8.301 ( 4.977 0.000 7.934) 9.366 10.615 ( 0.332 0.000 -1.902) 1.930 11.131 ( 1.186 0.000 2.116) 2.426 11.191 ( 3.407 0.000 -0.466) 3.438 12.286 ( 4.073 0.000 5.805) 7.092 12.857 ( 1.527 0.000 5.287) 5.503 13.502 ( 6.945 0.000 1.375) 7.079 13.709 ( -0.042 -0.000 -2.222) 2.222 14.119 ( -3.546 -0.000 0.498) 3.581 14.235 ( -0.234 -0.000 -3.780) 3.787 14.618 ( -3.809 -0.000 -0.293) 3.820 18.498 ( -1.142 -0.000 -1.779) 2.114 23.531 ( -3.122 -0.000 1.999) 3.707 24.769 ( 1.456 0.000 1.451) 2.055 25.456 ( 1.883 0.000 2.068) 2.797 25.955 ( 7.196 0.000 -1.050) 7.273 26.295 ( -9.431 -0.000 -2.036) 9.648 26.594 ( 0.876 0.000 -1.866) 2.062 33.438 ( 0.400 0.000 2.048) 2.087 =================== 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 3/25920 10.0 55.140 23.328 34.196 0.000 3.521 0.000 3/25920 20.0 28.142 8.844 13.106 0.000 3.151 0.000 3/25920 30.0 19.459 5.387 7.985 0.000 2.488 0.000 3/25920 40.0 14.896 3.895 5.733 0.000 2.030 0.000 3/25920 50.0 12.070 3.061 4.475 0.000 1.723 0.000 3/25920 60.0 10.156 2.527 3.675 0.000 1.506 0.000 3/25920 70.0 8.773 2.154 3.123 0.000 1.341 0.000 3/25920 80.0 7.724 1.879 2.718 0.000 1.210 0.000 3/25920 90.0 6.900 1.668 2.408 0.000 1.102 0.000 3/25920 100.0 6.235 1.500 2.163 0.000 1.011 0.000 3/25920 110.0 5.686 1.364 1.964 0.000 0.934 0.000 3/25920 120.0 5.225 1.251 1.799 0.000 0.867 0.000 3/25920 130.0 4.834 1.156 1.660 0.000 0.808 0.000 3/25920 140.0 4.496 1.075 1.541 0.000 0.757 0.000 3/25920 150.0 4.203 1.005 1.438 0.000 0.711 0.000 3/25920 160.0 3.946 0.944 1.349 0.000 0.671 0.000 3/25920 170.0 3.718 0.890 1.270 0.000 0.634 0.000 3/25920 180.0 3.516 0.843 1.200 0.000 0.602 0.000 3/25920 190.0 3.334 0.800 1.138 0.000 0.572 0.000 3/25920 200.0 3.170 0.761 1.082 0.000 0.545 0.000 3/25920 210.0 3.022 0.727 1.031 0.000 0.521 0.000 3/25920 220.0 2.887 0.695 0.985 0.000 0.499 0.000 3/25920 230.0 2.764 0.666 0.943 0.000 0.478 0.000 3/25920 240.0 2.651 0.640 0.905 0.000 0.459 0.000 3/25920 250.0 2.547 0.616 0.869 0.000 0.441 0.000 3/25920 260.0 2.451 0.593 0.837 0.000 0.425 0.000 3/25920 270.0 2.362 0.573 0.806 0.000 0.410 0.000 3/25920 280.0 2.279 0.553 0.778 0.000 0.396 0.000 3/25920 290.0 2.202 0.535 0.752 0.000 0.383 0.000 3/25920 300.0 2.130 0.518 0.728 0.000 0.370 0.000 3/25920 310.0 2.063 0.503 0.705 0.000 0.359 0.000 3/25920 320.0 2.000 0.488 0.683 0.000 0.348 0.000 3/25920 330.0 1.940 0.474 0.663 0.000 0.338 0.000 3/25920 340.0 1.884 0.461 0.644 0.000 0.328 0.000 3/25920 350.0 1.832 0.449 0.626 0.000 0.319 0.000 3/25920 360.0 1.782 0.437 0.609 0.000 0.310 0.000 3/25920 370.0 1.735 0.426 0.593 0.000 0.302 0.000 3/25920 380.0 1.690 0.415 0.578 0.000 0.294 0.000 3/25920 390.0 1.647 0.405 0.564 0.000 0.287 0.000 3/25920 400.0 1.607 0.396 0.550 0.000 0.280 0.000 3/25920 410.0 1.569 0.387 0.537 0.000 0.273 0.000 3/25920 420.0 1.532 0.378 0.525 0.000 0.267 0.000 3/25920 430.0 1.497 0.370 0.513 0.000 0.261 0.000 3/25920 440.0 1.464 0.362 0.501 0.000 0.255 0.000 3/25920 450.0 1.432 0.354 0.491 0.000 0.250 0.000 3/25920 460.0 1.401 0.347 0.480 0.000 0.244 0.000 3/25920 470.0 1.372 0.340 0.470 0.000 0.239 0.000 3/25920 480.0 1.344 0.333 0.461 0.000 0.234 0.000 3/25920 490.0 1.317 0.327 0.452 0.000 0.230 0.000 3/25920 500.0 1.291 0.320 0.443 0.000 0.225 0.000 3/25920 510.0 1.266 0.314 0.434 0.000 0.221 0.000 3/25920 520.0 1.242 0.309 0.426 0.000 0.217 0.000 3/25920 530.0 1.219 0.303 0.418 0.000 0.213 0.000 3/25920 540.0 1.197 0.298 0.411 0.000 0.209 0.000 3/25920 550.0 1.176 0.293 0.403 0.000 0.205 0.000 3/25920 560.0 1.155 0.288 0.396 0.000 0.201 0.000 3/25920 570.0 1.135 0.283 0.390 0.000 0.198 0.000 3/25920 580.0 1.116 0.278 0.383 0.000 0.195 0.000 3/25920 590.0 1.097 0.274 0.377 0.000 0.191 0.000 3/25920 600.0 1.079 0.269 0.371 0.000 0.188 0.000 3/25920 610.0 1.062 0.265 0.365 0.000 0.185 0.000 3/25920 620.0 1.045 0.261 0.359 0.000 0.182 0.000 3/25920 630.0 1.028 0.257 0.353 0.000 0.179 0.000 3/25920 640.0 1.013 0.253 0.348 0.000 0.177 0.000 3/25920 650.0 0.997 0.249 0.343 0.000 0.174 0.000 3/25920 660.0 0.982 0.246 0.338 0.000 0.171 0.000 3/25920 670.0 0.968 0.242 0.333 0.000 0.169 0.000 3/25920 680.0 0.954 0.239 0.328 0.000 0.166 0.000 3/25920 690.0 0.940 0.236 0.323 0.000 0.164 0.000 3/25920 700.0 0.927 0.232 0.319 0.000 0.162 0.000 3/25920 710.0 0.914 0.229 0.314 0.000 0.159 0.000 3/25920 720.0 0.902 0.226 0.310 0.000 0.157 0.000 3/25920 730.0 0.889 0.223 0.306 0.000 0.155 0.000 3/25920 740.0 0.877 0.220 0.302 0.000 0.153 0.000 3/25920 750.0 0.866 0.217 0.298 0.000 0.151 0.000 3/25920 760.0 0.855 0.215 0.294 0.000 0.149 0.000 3/25920 770.0 0.844 0.212 0.290 0.000 0.147 0.000 3/25920 780.0 0.833 0.209 0.286 0.000 0.145 0.000 3/25920 790.0 0.823 0.207 0.283 0.000 0.143 0.000 3/25920 800.0 0.812 0.204 0.279 0.000 0.142 0.000 3/25920 810.0 0.802 0.202 0.276 0.000 0.140 0.000 3/25920 820.0 0.793 0.199 0.273 0.000 0.138 0.000 3/25920 830.0 0.783 0.197 0.269 0.000 0.137 0.000 3/25920 840.0 0.774 0.195 0.266 0.000 0.135 0.000 3/25920 850.0 0.765 0.192 0.263 0.000 0.133 0.000 3/25920 860.0 0.756 0.190 0.260 0.000 0.132 0.000 3/25920 870.0 0.748 0.188 0.257 0.000 0.130 0.000 3/25920 880.0 0.739 0.186 0.254 0.000 0.129 0.000 3/25920 890.0 0.731 0.184 0.252 0.000 0.127 0.000 3/25920 900.0 0.723 0.182 0.249 0.000 0.126 0.000 3/25920 910.0 0.715 0.180 0.246 0.000 0.125 0.000 3/25920 920.0 0.707 0.178 0.243 0.000 0.123 0.000 3/25920 930.0 0.700 0.176 0.241 0.000 0.122 0.000 3/25920 940.0 0.693 0.174 0.238 0.000 0.121 0.000 3/25920 950.0 0.685 0.173 0.236 0.000 0.119 0.000 3/25920 960.0 0.678 0.171 0.233 0.000 0.118 0.000 3/25920 970.0 0.671 0.169 0.231 0.000 0.117 0.000 3/25920 980.0 0.664 0.168 0.229 0.000 0.116 0.000 3/25920 990.0 0.658 0.166 0.226 0.000 0.115 0.000 3/25920 1000.0 0.651 0.164 0.224 0.000 0.114 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m889.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:32:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|