----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:42:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [4 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmc2_1 (26) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.214685410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.242050669999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.286074580000002 Atomic positions (fractional): *1 S 0.50000000000000 0.52997297055867 0.39263636581916 32.065 2 S 0.50000000000000 0.47002702944133 0.89263636581916 32.065 *3 S 0.00000000000000 0.22440602639012 0.88649589369183 32.065 4 S 0.00000000000000 0.77559397360988 0.38649589369183 32.065 *5 S 0.50000000000000 0.26135039927346 0.39602049122041 32.065 *6 S 0.50000000000000 0.98402330460795 0.73050674176476 32.065 7 S 0.50000000000000 0.01597669539205 0.23050674176476 32.065 8 S 0.50000000000000 0.73864960072654 0.89602049122040 32.065 *9 Ba 0.00000000000000 0.89850600483086 0.00412144938631 137.327 *10 Ba 0.00000000000000 0.60859027305947 0.68346993710652 137.327 11 Ba 0.00000000000000 0.10149399516914 0.50412144938631 137.327 12 Ba 0.00000000000000 0.39140972694053 0.18346993710652 137.327 *13 Hg 0.50000000000000 0.35183327671884 0.66647409134313 200.590 14 Hg 0.50000000000000 0.64816672328116 0.16647409134313 200.590 *15 Hg 0.50000000000000 0.14187570738359 0.99667502966787 200.590 16 Hg 0.50000000000000 0.85812429261641 0.49667502966787 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.214685410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.242050669999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.286074580000002 Atomic positions (fractional): *1 S 0.50000000000000 0.52997297055867 0.39263636581916 32.065 > 1 2 S 0.50000000000000 0.47002702944133 0.89263636581916 32.065 > 2 *3 S 0.00000000000000 0.22440602639012 0.88649589369183 32.065 > 3 4 S 0.00000000000000 0.77559397360988 0.38649589369183 32.065 > 4 *5 S 0.50000000000000 0.26135039927346 0.39602049122041 32.065 > 5 *6 S 0.50000000000000 0.98402330460795 0.73050674176476 32.065 > 6 7 S 0.50000000000000 0.01597669539205 0.23050674176476 32.065 > 7 8 S 0.50000000000000 0.73864960072654 0.89602049122040 32.065 > 8 *9 Ba 0.00000000000000 0.89850600483086 0.00412144938631 137.327 > 9 *10 Ba 0.00000000000000 0.60859027305947 0.68346993710652 137.327 > 10 11 Ba 0.00000000000000 0.10149399516914 0.50412144938631 137.327 > 11 12 Ba 0.00000000000000 0.39140972694053 0.18346993710652 137.327 > 12 *13 Hg 0.50000000000000 0.35183327671884 0.66647409134313 200.590 > 13 14 Hg 0.50000000000000 0.64816672328116 0.16647409134313 200.590 > 14 *15 Hg 0.50000000000000 0.14187570738359 0.99667502966787 200.590 > 15 16 Hg 0.50000000000000 0.85812429261641 0.49667502966787 200.590 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.858741640000002 0.000000000000000 0.000000000000000 b 0.000000000000000 14.242050669999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.572149160000004 Atomic positions (fractional): *1 S 0.12500000000000 0.52997297055867 0.19631818290958 32.065 > 1 2 S 0.37500000000000 0.52997297055867 0.19631818290958 32.065 > 1 3 S 0.62500000000000 0.52997297055867 0.19631818290958 32.065 > 1 4 S 0.87500000000000 0.52997297055867 0.19631818290958 32.065 > 1 5 S 0.12500000000000 0.52997297055867 0.69631818290958 32.065 > 1 6 S 0.37500000000000 0.52997297055867 0.69631818290958 32.065 > 1 7 S 0.62500000000000 0.52997297055867 0.69631818290958 32.065 > 1 8 S 0.87500000000000 0.52997297055867 0.69631818290958 32.065 > 1 9 S 0.12500000000000 0.47002702944133 0.44631818290958 32.065 > 2 10 S 0.37500000000000 0.47002702944133 0.44631818290958 32.065 > 2 11 S 0.62500000000000 0.47002702944133 0.44631818290958 32.065 > 2 12 S 0.87500000000000 0.47002702944133 0.44631818290958 32.065 > 2 13 S 0.12500000000000 0.47002702944133 0.94631818290958 32.065 > 2 14 S 0.37500000000000 0.47002702944133 0.94631818290958 32.065 > 2 15 S 0.62500000000000 0.47002702944133 0.94631818290958 32.065 > 2 16 S 0.87500000000000 0.47002702944133 0.94631818290958 32.065 > 2 *17 S 0.00000000000000 0.22440602639012 0.44324794684592 32.065 > 3 18 S 0.25000000000000 0.22440602639012 0.44324794684592 32.065 > 3 19 S 0.50000000000000 0.22440602639012 0.44324794684592 32.065 > 3 20 S 0.75000000000000 0.22440602639012 0.44324794684592 32.065 > 3 21 S 0.00000000000000 0.22440602639012 0.94324794684592 32.065 > 3 22 S 0.25000000000000 0.22440602639012 0.94324794684592 32.065 > 3 23 S 0.50000000000000 0.22440602639012 0.94324794684592 32.065 > 3 24 S 0.75000000000000 0.22440602639012 0.94324794684592 32.065 > 3 25 S 0.00000000000000 0.77559397360988 0.19324794684592 32.065 > 4 26 S 0.25000000000000 0.77559397360988 0.19324794684592 32.065 > 4 27 S 0.50000000000000 0.77559397360988 0.19324794684592 32.065 > 4 28 S 0.75000000000000 0.77559397360988 0.19324794684592 32.065 > 4 29 S 0.00000000000000 0.77559397360988 0.69324794684592 32.065 > 4 30 S 0.25000000000000 0.77559397360988 0.69324794684592 32.065 > 4 31 S 0.50000000000000 0.77559397360988 0.69324794684592 32.065 > 4 32 S 0.75000000000000 0.77559397360988 0.69324794684592 32.065 > 4 *33 S 0.12500000000000 0.26135039927346 0.19801024561020 32.065 > 5 34 S 0.37500000000000 0.26135039927346 0.19801024561020 32.065 > 5 35 S 0.62500000000000 0.26135039927346 0.19801024561020 32.065 > 5 36 S 0.87500000000000 0.26135039927346 0.19801024561020 32.065 > 5 37 S 0.12500000000000 0.26135039927346 0.69801024561020 32.065 > 5 38 S 0.37500000000000 0.26135039927346 0.69801024561020 32.065 > 5 39 S 0.62500000000000 0.26135039927346 0.69801024561020 32.065 > 5 40 S 0.87500000000000 0.26135039927346 0.69801024561020 32.065 > 5 *41 S 0.12500000000000 0.98402330460795 0.36525337088238 32.065 > 6 42 S 0.37500000000000 0.98402330460795 0.36525337088238 32.065 > 6 43 S 0.62500000000000 0.98402330460795 0.36525337088238 32.065 > 6 44 S 0.87500000000000 0.98402330460795 0.36525337088238 32.065 > 6 45 S 0.12500000000000 0.98402330460795 0.86525337088238 32.065 > 6 46 S 0.37500000000000 0.98402330460795 0.86525337088238 32.065 > 6 47 S 0.62500000000000 0.98402330460795 0.86525337088238 32.065 > 6 48 S 0.87500000000000 0.98402330460795 0.86525337088238 32.065 > 6 49 S 0.12500000000000 0.01597669539205 0.11525337088238 32.065 > 7 50 S 0.37500000000000 0.01597669539205 0.11525337088238 32.065 > 7 51 S 0.62500000000000 0.01597669539205 0.11525337088238 32.065 > 7 52 S 0.87500000000000 0.01597669539205 0.11525337088238 32.065 > 7 53 S 0.12500000000000 0.01597669539205 0.61525337088238 32.065 > 7 54 S 0.37500000000000 0.01597669539205 0.61525337088238 32.065 > 7 55 S 0.62500000000000 0.01597669539205 0.61525337088238 32.065 > 7 56 S 0.87500000000000 0.01597669539205 0.61525337088238 32.065 > 7 57 S 0.12500000000000 0.73864960072654 0.44801024561020 32.065 > 8 58 S 0.37500000000000 0.73864960072654 0.44801024561020 32.065 > 8 59 S 0.62500000000000 0.73864960072654 0.44801024561020 32.065 > 8 60 S 0.87500000000000 0.73864960072654 0.44801024561020 32.065 > 8 61 S 0.12500000000000 0.73864960072654 0.94801024561020 32.065 > 8 62 S 0.37500000000000 0.73864960072654 0.94801024561020 32.065 > 8 63 S 0.62500000000000 0.73864960072654 0.94801024561020 32.065 > 8 64 S 0.87500000000000 0.73864960072654 0.94801024561020 32.065 > 8 *65 Ba 0.00000000000000 0.89850600483086 0.00206072469316 137.327 > 9 66 Ba 0.25000000000000 0.89850600483086 0.00206072469316 137.327 > 9 67 Ba 0.50000000000000 0.89850600483086 0.00206072469316 137.327 > 9 68 Ba 0.75000000000000 0.89850600483086 0.00206072469316 137.327 > 9 69 Ba 0.00000000000000 0.89850600483086 0.50206072469316 137.327 > 9 70 Ba 0.25000000000000 0.89850600483086 0.50206072469316 137.327 > 9 71 Ba 0.50000000000000 0.89850600483086 0.50206072469316 137.327 > 9 72 Ba 0.75000000000000 0.89850600483086 0.50206072469316 137.327 > 9 *73 Ba 0.00000000000000 0.60859027305947 0.34173496855326 137.327 > 10 74 Ba 0.25000000000000 0.60859027305947 0.34173496855326 137.327 > 10 75 Ba 0.50000000000000 0.60859027305947 0.34173496855326 137.327 > 10 76 Ba 0.75000000000000 0.60859027305947 0.34173496855326 137.327 > 10 77 Ba 0.00000000000000 0.60859027305947 0.84173496855326 137.327 > 10 78 Ba 0.25000000000000 0.60859027305947 0.84173496855326 137.327 > 10 79 Ba 0.50000000000000 0.60859027305947 0.84173496855326 137.327 > 10 80 Ba 0.75000000000000 0.60859027305947 0.84173496855326 137.327 > 10 81 Ba 0.00000000000000 0.10149399516914 0.25206072469316 137.327 > 11 82 Ba 0.25000000000000 0.10149399516914 0.25206072469316 137.327 > 11 83 Ba 0.50000000000000 0.10149399516914 0.25206072469316 137.327 > 11 84 Ba 0.75000000000000 0.10149399516914 0.25206072469316 137.327 > 11 85 Ba 0.00000000000000 0.10149399516914 0.75206072469316 137.327 > 11 86 Ba 0.25000000000000 0.10149399516914 0.75206072469316 137.327 > 11 87 Ba 0.50000000000000 0.10149399516914 0.75206072469316 137.327 > 11 88 Ba 0.75000000000000 0.10149399516914 0.75206072469316 137.327 > 11 89 Ba 0.00000000000000 0.39140972694053 0.09173496855326 137.327 > 12 90 Ba 0.25000000000000 0.39140972694053 0.09173496855326 137.327 > 12 91 Ba 0.50000000000000 0.39140972694053 0.09173496855326 137.327 > 12 92 Ba 0.75000000000000 0.39140972694053 0.09173496855326 137.327 > 12 93 Ba 0.00000000000000 0.39140972694053 0.59173496855326 137.327 > 12 94 Ba 0.25000000000000 0.39140972694053 0.59173496855326 137.327 > 12 95 Ba 0.50000000000000 0.39140972694053 0.59173496855326 137.327 > 12 96 Ba 0.75000000000000 0.39140972694053 0.59173496855326 137.327 > 12 *97 Hg 0.12500000000000 0.35183327671884 0.33323704567156 200.590 > 13 98 Hg 0.37500000000000 0.35183327671884 0.33323704567156 200.590 > 13 99 Hg 0.62500000000000 0.35183327671884 0.33323704567156 200.590 > 13 100 Hg 0.87500000000000 0.35183327671884 0.33323704567156 200.590 > 13 101 Hg 0.12500000000000 0.35183327671884 0.83323704567156 200.590 > 13 102 Hg 0.37500000000000 0.35183327671884 0.83323704567156 200.590 > 13 103 Hg 0.62500000000000 0.35183327671884 0.83323704567156 200.590 > 13 104 Hg 0.87500000000000 0.35183327671884 0.83323704567156 200.590 > 13 105 Hg 0.12500000000000 0.64816672328116 0.08323704567156 200.590 > 14 106 Hg 0.37500000000000 0.64816672328116 0.08323704567156 200.590 > 14 107 Hg 0.62500000000000 0.64816672328116 0.08323704567156 200.590 > 14 108 Hg 0.87500000000000 0.64816672328116 0.08323704567156 200.590 > 14 109 Hg 0.12500000000000 0.64816672328116 0.58323704567156 200.590 > 14 110 Hg 0.37500000000000 0.64816672328116 0.58323704567156 200.590 > 14 111 Hg 0.62500000000000 0.64816672328116 0.58323704567156 200.590 > 14 112 Hg 0.87500000000000 0.64816672328116 0.58323704567156 200.590 > 14 *113 Hg 0.12500000000000 0.14187570738359 0.49833751483394 200.590 > 15 114 Hg 0.37500000000000 0.14187570738359 0.49833751483394 200.590 > 15 115 Hg 0.62500000000000 0.14187570738359 0.49833751483394 200.590 > 15 116 Hg 0.87500000000000 0.14187570738359 0.49833751483394 200.590 > 15 117 Hg 0.12500000000000 0.14187570738359 0.99833751483394 200.590 > 15 118 Hg 0.37500000000000 0.14187570738359 0.99833751483394 200.590 > 15 119 Hg 0.62500000000000 0.14187570738359 0.99833751483394 200.590 > 15 120 Hg 0.87500000000000 0.14187570738359 0.99833751483394 200.590 > 15 121 Hg 0.12500000000000 0.85812429261641 0.24833751483394 200.590 > 16 122 Hg 0.37500000000000 0.85812429261641 0.24833751483394 200.590 > 16 123 Hg 0.62500000000000 0.85812429261641 0.24833751483394 200.590 > 16 124 Hg 0.87500000000000 0.85812429261641 0.24833751483394 200.590 > 16 125 Hg 0.12500000000000 0.85812429261641 0.74833751483394 200.590 > 16 126 Hg 0.37500000000000 0.85812429261641 0.74833751483394 200.590 > 16 127 Hg 0.62500000000000 0.85812429261641 0.74833751483394 200.590 > 16 128 Hg 0.87500000000000 0.85812429261641 0.74833751483394 200.590 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.5132841 0.0000000 0.0000000 0.0000000 7.0729740 0.0000000 0.0000000 0.0000000 7.4206348 -------------------------- Born effective charges -------------------------- 1 S -1.7911255 0.0000000 0.0000000 0.0000000 -2.3371590 0.1465826 0.0000000 -0.0915045 -2.2074957 2 S -1.7911255 0.0000000 0.0000000 0.0000000 -2.3371590 -0.1465826 0.0000000 0.0915045 -2.2074957 3 S -4.2022309 0.0000000 0.0000000 0.0000000 -2.4764184 0.3440341 0.0000000 0.3238478 -2.1864552 4 S -4.2022309 0.0000000 0.0000000 0.0000000 -2.4764184 -0.3440341 0.0000000 -0.3238478 -2.1864552 5 S -1.7318786 0.0000000 0.0000000 0.0000000 -2.0418096 0.1054536 0.0000000 -0.0278499 -2.3132490 6 S -2.1833838 0.0000000 0.0000000 0.0000000 -2.3257803 -0.0286744 0.0000000 -0.4452352 -2.8419143 7 S -2.1833838 0.0000000 0.0000000 0.0000000 -2.3257803 0.0286744 0.0000000 0.4452352 -2.8419143 8 S -1.7318786 0.0000000 0.0000000 0.0000000 -2.0418096 -0.1054536 0.0000000 0.0278499 -2.3132490 9 Ba 2.8154823 0.0000000 0.0000000 0.0000000 2.3786381 0.4694351 0.0000000 -0.6318462 2.5391019 10 Ba 2.6943426 0.0000000 0.0000000 0.0000000 2.7083205 -0.6258166 0.0000000 0.4734909 2.7883114 11 Ba 2.8154823 0.0000000 0.0000000 0.0000000 2.3786381 -0.4694351 0.0000000 0.6318462 2.5391019 12 Ba 2.6943426 0.0000000 0.0000000 0.0000000 2.7083205 0.6258166 0.0000000 -0.4734909 2.7883114 13 Hg 0.9500268 0.0000000 0.0000000 0.0000000 1.9463473 0.2697510 0.0000000 0.3600422 2.0745686 14 Hg 0.9500268 0.0000000 0.0000000 0.0000000 1.9463473 -0.2697510 0.0000000 -0.3600422 2.0745686 15 Hg 3.4487670 0.0000000 0.0000000 0.0000000 2.1478615 -0.4687145 0.0000000 -0.5483754 2.1471322 16 Hg 3.4487670 0.0000000 0.0000000 0.0000000 2.1478615 0.4687145 0.0000000 0.5483754 2.1471322 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2444 Number of blocks in projector: 2444 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: 648 Use submatrix version of eigh solver. (1) Block: 500 / 648 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 648 / 648 (1) 138 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 348 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 348 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 348 Use standard eigh solver. Tree of FC basis block matrices: - (2444, 2404), data: False |-- (348, 340), data: True |-- (348, 340), data: True |-- (348, 340), data: True |-- (376, 376), data: True |-- (376, 376), data: True |-- (648, 632), data: False |-- (648, 10), data: (648, 26) @ (26, 10) |-- (148, 138), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.742 Solver_block: 200 / 480 - Time: 0.670 Solver_block: 300 / 480 - Time: 0.665 Solver_block: 400 / 480 - Time: 0.667 Solver_block: 480 / 480 - Time: 0.556 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.393 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zy) -0.00000000 (zy) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2444 Number of blocks in projector: 2444 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: 648 Use submatrix version of eigh solver. (1) Block: 500 / 648 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 648 / 648 (1) 138 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 348 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 348 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 348 Use standard eigh solver. Tree of FC basis block matrices: - (2444, 2404), data: False |-- (348, 340), data: True |-- (348, 340), data: True |-- (348, 340), data: True |-- (376, 376), data: True |-- (376, 376), data: True |-- (648, 632), data: False |-- (648, 10), data: (648, 26) @ (26, 10) |-- (148, 138), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zy) -0.00000000 (zy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:43:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:43:16]------------------------- 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): [4 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmc2_1 (26) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.214685410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.242050669999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.286074580000002 Atomic positions (fractional): 1 S 0.50000000000000 0.52997297055867 0.39263636581916 32.065 2 S 0.50000000000000 0.47002702944133 0.89263636581916 32.065 3 S 0.00000000000000 0.22440602639012 0.88649589369183 32.065 4 S 0.00000000000000 0.77559397360988 0.38649589369183 32.065 5 S 0.50000000000000 0.26135039927346 0.39602049122041 32.065 6 S 0.50000000000000 0.98402330460795 0.73050674176476 32.065 7 S 0.50000000000000 0.01597669539205 0.23050674176476 32.065 8 S 0.50000000000000 0.73864960072654 0.89602049122040 32.065 9 Ba 0.00000000000000 0.89850600483086 0.00412144938631 137.327 10 Ba 0.00000000000000 0.60859027305947 0.68346993710652 137.327 11 Ba 0.00000000000000 0.10149399516914 0.50412144938631 137.327 12 Ba 0.00000000000000 0.39140972694053 0.18346993710652 137.327 13 Hg 0.50000000000000 0.35183327671884 0.66647409134313 200.590 14 Hg 0.50000000000000 0.64816672328116 0.16647409134313 200.590 15 Hg 0.50000000000000 0.14187570738359 0.99667502966787 200.590 16 Hg 0.50000000000000 0.85812429261641 0.49667502966787 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.858741640000002 0.000000000000000 0.000000000000000 b 0.000000000000000 14.242050669999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.572149160000004 Atomic positions (fractional): 1 S 0.12500000000000 0.52997297055867 0.19631818290958 32.065 > 1 2 S 0.37500000000000 0.52997297055867 0.19631818290958 32.065 > 1 3 S 0.62500000000000 0.52997297055867 0.19631818290958 32.065 > 1 4 S 0.87500000000000 0.52997297055867 0.19631818290958 32.065 > 1 5 S 0.12500000000000 0.52997297055867 0.69631818290958 32.065 > 1 6 S 0.37500000000000 0.52997297055867 0.69631818290958 32.065 > 1 7 S 0.62500000000000 0.52997297055867 0.69631818290958 32.065 > 1 8 S 0.87500000000000 0.52997297055867 0.69631818290958 32.065 > 1 9 S 0.12500000000000 0.47002702944133 0.44631818290958 32.065 > 9 10 S 0.37500000000000 0.47002702944133 0.44631818290958 32.065 > 9 11 S 0.62500000000000 0.47002702944133 0.44631818290958 32.065 > 9 12 S 0.87500000000000 0.47002702944133 0.44631818290958 32.065 > 9 13 S 0.12500000000000 0.47002702944133 0.94631818290958 32.065 > 9 14 S 0.37500000000000 0.47002702944133 0.94631818290958 32.065 > 9 15 S 0.62500000000000 0.47002702944133 0.94631818290958 32.065 > 9 16 S 0.87500000000000 0.47002702944133 0.94631818290958 32.065 > 9 17 S 0.00000000000000 0.22440602639012 0.44324794684592 32.065 > 17 18 S 0.25000000000000 0.22440602639012 0.44324794684592 32.065 > 17 19 S 0.50000000000000 0.22440602639012 0.44324794684592 32.065 > 17 20 S 0.75000000000000 0.22440602639012 0.44324794684592 32.065 > 17 21 S 0.00000000000000 0.22440602639012 0.94324794684592 32.065 > 17 22 S 0.25000000000000 0.22440602639012 0.94324794684592 32.065 > 17 23 S 0.50000000000000 0.22440602639012 0.94324794684592 32.065 > 17 24 S 0.75000000000000 0.22440602639012 0.94324794684592 32.065 > 17 25 S 0.00000000000000 0.77559397360988 0.19324794684592 32.065 > 25 26 S 0.25000000000000 0.77559397360988 0.19324794684592 32.065 > 25 27 S 0.50000000000000 0.77559397360988 0.19324794684592 32.065 > 25 28 S 0.75000000000000 0.77559397360988 0.19324794684592 32.065 > 25 29 S 0.00000000000000 0.77559397360988 0.69324794684592 32.065 > 25 30 S 0.25000000000000 0.77559397360988 0.69324794684592 32.065 > 25 31 S 0.50000000000000 0.77559397360988 0.69324794684592 32.065 > 25 32 S 0.75000000000000 0.77559397360988 0.69324794684592 32.065 > 25 33 S 0.12500000000000 0.26135039927346 0.19801024561020 32.065 > 33 34 S 0.37500000000000 0.26135039927346 0.19801024561020 32.065 > 33 35 S 0.62500000000000 0.26135039927346 0.19801024561020 32.065 > 33 36 S 0.87500000000000 0.26135039927346 0.19801024561020 32.065 > 33 37 S 0.12500000000000 0.26135039927346 0.69801024561020 32.065 > 33 38 S 0.37500000000000 0.26135039927346 0.69801024561020 32.065 > 33 39 S 0.62500000000000 0.26135039927346 0.69801024561020 32.065 > 33 40 S 0.87500000000000 0.26135039927346 0.69801024561020 32.065 > 33 41 S 0.12500000000000 0.98402330460795 0.36525337088238 32.065 > 41 42 S 0.37500000000000 0.98402330460795 0.36525337088238 32.065 > 41 43 S 0.62500000000000 0.98402330460795 0.36525337088238 32.065 > 41 44 S 0.87500000000000 0.98402330460795 0.36525337088238 32.065 > 41 45 S 0.12500000000000 0.98402330460795 0.86525337088238 32.065 > 41 46 S 0.37500000000000 0.98402330460795 0.86525337088238 32.065 > 41 47 S 0.62500000000000 0.98402330460795 0.86525337088238 32.065 > 41 48 S 0.87500000000000 0.98402330460795 0.86525337088238 32.065 > 41 49 S 0.12500000000000 0.01597669539205 0.11525337088238 32.065 > 49 50 S 0.37500000000000 0.01597669539205 0.11525337088238 32.065 > 49 51 S 0.62500000000000 0.01597669539205 0.11525337088238 32.065 > 49 52 S 0.87500000000000 0.01597669539205 0.11525337088238 32.065 > 49 53 S 0.12500000000000 0.01597669539205 0.61525337088238 32.065 > 49 54 S 0.37500000000000 0.01597669539205 0.61525337088238 32.065 > 49 55 S 0.62500000000000 0.01597669539205 0.61525337088238 32.065 > 49 56 S 0.87500000000000 0.01597669539205 0.61525337088238 32.065 > 49 57 S 0.12500000000000 0.73864960072654 0.44801024561020 32.065 > 57 58 S 0.37500000000000 0.73864960072654 0.44801024561020 32.065 > 57 59 S 0.62500000000000 0.73864960072654 0.44801024561020 32.065 > 57 60 S 0.87500000000000 0.73864960072654 0.44801024561020 32.065 > 57 61 S 0.12500000000000 0.73864960072654 0.94801024561020 32.065 > 57 62 S 0.37500000000000 0.73864960072654 0.94801024561020 32.065 > 57 63 S 0.62500000000000 0.73864960072654 0.94801024561020 32.065 > 57 64 S 0.87500000000000 0.73864960072654 0.94801024561020 32.065 > 57 65 Ba 0.00000000000000 0.89850600483086 0.00206072469316 137.327 > 65 66 Ba 0.25000000000000 0.89850600483086 0.00206072469316 137.327 > 65 67 Ba 0.50000000000000 0.89850600483086 0.00206072469316 137.327 > 65 68 Ba 0.75000000000000 0.89850600483086 0.00206072469316 137.327 > 65 69 Ba 0.00000000000000 0.89850600483086 0.50206072469316 137.327 > 65 70 Ba 0.25000000000000 0.89850600483086 0.50206072469316 137.327 > 65 71 Ba 0.50000000000000 0.89850600483086 0.50206072469316 137.327 > 65 72 Ba 0.75000000000000 0.89850600483086 0.50206072469316 137.327 > 65 73 Ba 0.00000000000000 0.60859027305947 0.34173496855326 137.327 > 73 74 Ba 0.25000000000000 0.60859027305947 0.34173496855326 137.327 > 73 75 Ba 0.50000000000000 0.60859027305947 0.34173496855326 137.327 > 73 76 Ba 0.75000000000000 0.60859027305947 0.34173496855326 137.327 > 73 77 Ba 0.00000000000000 0.60859027305947 0.84173496855326 137.327 > 73 78 Ba 0.25000000000000 0.60859027305947 0.84173496855326 137.327 > 73 79 Ba 0.50000000000000 0.60859027305947 0.84173496855326 137.327 > 73 80 Ba 0.75000000000000 0.60859027305947 0.84173496855326 137.327 > 73 81 Ba 0.00000000000000 0.10149399516914 0.25206072469316 137.327 > 81 82 Ba 0.25000000000000 0.10149399516914 0.25206072469316 137.327 > 81 83 Ba 0.50000000000000 0.10149399516914 0.25206072469316 137.327 > 81 84 Ba 0.75000000000000 0.10149399516914 0.25206072469316 137.327 > 81 85 Ba 0.00000000000000 0.10149399516914 0.75206072469316 137.327 > 81 86 Ba 0.25000000000000 0.10149399516914 0.75206072469316 137.327 > 81 87 Ba 0.50000000000000 0.10149399516914 0.75206072469316 137.327 > 81 88 Ba 0.75000000000000 0.10149399516914 0.75206072469316 137.327 > 81 89 Ba 0.00000000000000 0.39140972694053 0.09173496855326 137.327 > 89 90 Ba 0.25000000000000 0.39140972694053 0.09173496855326 137.327 > 89 91 Ba 0.50000000000000 0.39140972694053 0.09173496855326 137.327 > 89 92 Ba 0.75000000000000 0.39140972694053 0.09173496855326 137.327 > 89 93 Ba 0.00000000000000 0.39140972694053 0.59173496855326 137.327 > 89 94 Ba 0.25000000000000 0.39140972694053 0.59173496855326 137.327 > 89 95 Ba 0.50000000000000 0.39140972694053 0.59173496855326 137.327 > 89 96 Ba 0.75000000000000 0.39140972694053 0.59173496855326 137.327 > 89 97 Hg 0.12500000000000 0.35183327671884 0.33323704567156 200.590 > 97 98 Hg 0.37500000000000 0.35183327671884 0.33323704567156 200.590 > 97 99 Hg 0.62500000000000 0.35183327671884 0.33323704567156 200.590 > 97 100 Hg 0.87500000000000 0.35183327671884 0.33323704567156 200.590 > 97 101 Hg 0.12500000000000 0.35183327671884 0.83323704567156 200.590 > 97 102 Hg 0.37500000000000 0.35183327671884 0.83323704567156 200.590 > 97 103 Hg 0.62500000000000 0.35183327671884 0.83323704567156 200.590 > 97 104 Hg 0.87500000000000 0.35183327671884 0.83323704567156 200.590 > 97 105 Hg 0.12500000000000 0.64816672328116 0.08323704567156 200.590 > 105 106 Hg 0.37500000000000 0.64816672328116 0.08323704567156 200.590 > 105 107 Hg 0.62500000000000 0.64816672328116 0.08323704567156 200.590 > 105 108 Hg 0.87500000000000 0.64816672328116 0.08323704567156 200.590 > 105 109 Hg 0.12500000000000 0.64816672328116 0.58323704567156 200.590 > 105 110 Hg 0.37500000000000 0.64816672328116 0.58323704567156 200.590 > 105 111 Hg 0.62500000000000 0.64816672328116 0.58323704567156 200.590 > 105 112 Hg 0.87500000000000 0.64816672328116 0.58323704567156 200.590 > 105 113 Hg 0.12500000000000 0.14187570738359 0.49833751483394 200.590 > 113 114 Hg 0.37500000000000 0.14187570738359 0.49833751483394 200.590 > 113 115 Hg 0.62500000000000 0.14187570738359 0.49833751483394 200.590 > 113 116 Hg 0.87500000000000 0.14187570738359 0.49833751483394 200.590 > 113 117 Hg 0.12500000000000 0.14187570738359 0.99833751483394 200.590 > 113 118 Hg 0.37500000000000 0.14187570738359 0.99833751483394 200.590 > 113 119 Hg 0.62500000000000 0.14187570738359 0.99833751483394 200.590 > 113 120 Hg 0.87500000000000 0.14187570738359 0.99833751483394 200.590 > 113 121 Hg 0.12500000000000 0.85812429261641 0.24833751483394 200.590 > 121 122 Hg 0.37500000000000 0.85812429261641 0.24833751483394 200.590 > 121 123 Hg 0.62500000000000 0.85812429261641 0.24833751483394 200.590 > 121 124 Hg 0.87500000000000 0.85812429261641 0.24833751483394 200.590 > 121 125 Hg 0.12500000000000 0.85812429261641 0.74833751483394 200.590 > 121 126 Hg 0.37500000000000 0.85812429261641 0.74833751483394 200.590 > 121 127 Hg 0.62500000000000 0.85812429261641 0.74833751483394 200.590 > 121 128 Hg 0.87500000000000 0.85812429261641 0.74833751483394 200.590 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.5132841 0.0000000 0.0000000 0.0000000 7.0729740 0.0000000 0.0000000 0.0000000 7.4206348 -------------------------- Born effective charges -------------------------- 1 S -1.7911255 0.0000000 0.0000000 0.0000000 -2.3371590 0.1465826 0.0000000 -0.0915045 -2.2074957 2 S -1.7911255 0.0000000 0.0000000 0.0000000 -2.3371590 -0.1465826 0.0000000 0.0915045 -2.2074957 3 S -4.2022309 0.0000000 0.0000000 0.0000000 -2.4764184 0.3440341 0.0000000 0.3238478 -2.1864552 4 S -4.2022309 0.0000000 0.0000000 0.0000000 -2.4764184 -0.3440341 0.0000000 -0.3238478 -2.1864552 5 S -1.7318786 0.0000000 0.0000000 0.0000000 -2.0418096 0.1054536 0.0000000 -0.0278499 -2.3132490 6 S -2.1833838 0.0000000 0.0000000 0.0000000 -2.3257803 -0.0286744 0.0000000 -0.4452352 -2.8419143 7 S -2.1833838 0.0000000 0.0000000 0.0000000 -2.3257803 0.0286744 0.0000000 0.4452352 -2.8419143 8 S -1.7318786 0.0000000 0.0000000 0.0000000 -2.0418096 -0.1054536 0.0000000 0.0278499 -2.3132490 9 Ba 2.8154823 0.0000000 0.0000000 0.0000000 2.3786381 0.4694351 0.0000000 -0.6318462 2.5391019 10 Ba 2.6943426 0.0000000 0.0000000 0.0000000 2.7083205 -0.6258166 0.0000000 0.4734909 2.7883114 11 Ba 2.8154823 0.0000000 0.0000000 0.0000000 2.3786381 -0.4694351 0.0000000 0.6318462 2.5391019 12 Ba 2.6943426 0.0000000 0.0000000 0.0000000 2.7083205 0.6258166 0.0000000 -0.4734909 2.7883114 13 Hg 0.9500268 0.0000000 0.0000000 0.0000000 1.9463473 0.2697510 0.0000000 0.3600422 2.0745686 14 Hg 0.9500268 0.0000000 0.0000000 0.0000000 1.9463473 -0.2697510 0.0000000 -0.3600422 2.0745686 15 Hg 3.4487670 0.0000000 0.0000000 0.0000000 2.1478615 -0.4687145 0.0000000 -0.5483754 2.1471322 16 Hg 3.4487670 0.0000000 0.0000000 0.0000000 2.1478615 0.4687145 0.0000000 0.5483754 2.1471322 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:43:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:43:47]------------------------- 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): [4 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmc2_1 (26) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.214685410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.242050669999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.286074580000002 Atomic positions (fractional): 1 S 0.50000000000000 0.52997297055867 0.39263636581916 32.065 2 S 0.50000000000000 0.47002702944133 0.89263636581916 32.065 3 S 0.00000000000000 0.22440602639012 0.88649589369183 32.065 4 S 0.00000000000000 0.77559397360988 0.38649589369183 32.065 5 S 0.50000000000000 0.26135039927346 0.39602049122041 32.065 6 S 0.50000000000000 0.98402330460795 0.73050674176476 32.065 7 S 0.50000000000000 0.01597669539205 0.23050674176476 32.065 8 S 0.50000000000000 0.73864960072654 0.89602049122040 32.065 9 Ba 0.00000000000000 0.89850600483086 0.00412144938631 137.327 10 Ba 0.00000000000000 0.60859027305947 0.68346993710652 137.327 11 Ba 0.00000000000000 0.10149399516914 0.50412144938631 137.327 12 Ba 0.00000000000000 0.39140972694053 0.18346993710652 137.327 13 Hg 0.50000000000000 0.35183327671884 0.66647409134313 200.590 14 Hg 0.50000000000000 0.64816672328116 0.16647409134313 200.590 15 Hg 0.50000000000000 0.14187570738359 0.99667502966787 200.590 16 Hg 0.50000000000000 0.85812429261641 0.49667502966787 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.858741640000002 0.000000000000000 0.000000000000000 b 0.000000000000000 14.242050669999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.572149160000004 Atomic positions (fractional): 1 S 0.12500000000000 0.52997297055867 0.19631818290958 32.065 > 1 2 S 0.37500000000000 0.52997297055867 0.19631818290958 32.065 > 1 3 S 0.62500000000000 0.52997297055867 0.19631818290958 32.065 > 1 4 S 0.87500000000000 0.52997297055867 0.19631818290958 32.065 > 1 5 S 0.12500000000000 0.52997297055867 0.69631818290958 32.065 > 1 6 S 0.37500000000000 0.52997297055867 0.69631818290958 32.065 > 1 7 S 0.62500000000000 0.52997297055867 0.69631818290958 32.065 > 1 8 S 0.87500000000000 0.52997297055867 0.69631818290958 32.065 > 1 9 S 0.12500000000000 0.47002702944133 0.44631818290958 32.065 > 9 10 S 0.37500000000000 0.47002702944133 0.44631818290958 32.065 > 9 11 S 0.62500000000000 0.47002702944133 0.44631818290958 32.065 > 9 12 S 0.87500000000000 0.47002702944133 0.44631818290958 32.065 > 9 13 S 0.12500000000000 0.47002702944133 0.94631818290958 32.065 > 9 14 S 0.37500000000000 0.47002702944133 0.94631818290958 32.065 > 9 15 S 0.62500000000000 0.47002702944133 0.94631818290958 32.065 > 9 16 S 0.87500000000000 0.47002702944133 0.94631818290958 32.065 > 9 17 S 0.00000000000000 0.22440602639012 0.44324794684592 32.065 > 17 18 S 0.25000000000000 0.22440602639012 0.44324794684592 32.065 > 17 19 S 0.50000000000000 0.22440602639012 0.44324794684592 32.065 > 17 20 S 0.75000000000000 0.22440602639012 0.44324794684592 32.065 > 17 21 S 0.00000000000000 0.22440602639012 0.94324794684592 32.065 > 17 22 S 0.25000000000000 0.22440602639012 0.94324794684592 32.065 > 17 23 S 0.50000000000000 0.22440602639012 0.94324794684592 32.065 > 17 24 S 0.75000000000000 0.22440602639012 0.94324794684592 32.065 > 17 25 S 0.00000000000000 0.77559397360988 0.19324794684592 32.065 > 25 26 S 0.25000000000000 0.77559397360988 0.19324794684592 32.065 > 25 27 S 0.50000000000000 0.77559397360988 0.19324794684592 32.065 > 25 28 S 0.75000000000000 0.77559397360988 0.19324794684592 32.065 > 25 29 S 0.00000000000000 0.77559397360988 0.69324794684592 32.065 > 25 30 S 0.25000000000000 0.77559397360988 0.69324794684592 32.065 > 25 31 S 0.50000000000000 0.77559397360988 0.69324794684592 32.065 > 25 32 S 0.75000000000000 0.77559397360988 0.69324794684592 32.065 > 25 33 S 0.12500000000000 0.26135039927346 0.19801024561020 32.065 > 33 34 S 0.37500000000000 0.26135039927346 0.19801024561020 32.065 > 33 35 S 0.62500000000000 0.26135039927346 0.19801024561020 32.065 > 33 36 S 0.87500000000000 0.26135039927346 0.19801024561020 32.065 > 33 37 S 0.12500000000000 0.26135039927346 0.69801024561020 32.065 > 33 38 S 0.37500000000000 0.26135039927346 0.69801024561020 32.065 > 33 39 S 0.62500000000000 0.26135039927346 0.69801024561020 32.065 > 33 40 S 0.87500000000000 0.26135039927346 0.69801024561020 32.065 > 33 41 S 0.12500000000000 0.98402330460795 0.36525337088238 32.065 > 41 42 S 0.37500000000000 0.98402330460795 0.36525337088238 32.065 > 41 43 S 0.62500000000000 0.98402330460795 0.36525337088238 32.065 > 41 44 S 0.87500000000000 0.98402330460795 0.36525337088238 32.065 > 41 45 S 0.12500000000000 0.98402330460795 0.86525337088238 32.065 > 41 46 S 0.37500000000000 0.98402330460795 0.86525337088238 32.065 > 41 47 S 0.62500000000000 0.98402330460795 0.86525337088238 32.065 > 41 48 S 0.87500000000000 0.98402330460795 0.86525337088238 32.065 > 41 49 S 0.12500000000000 0.01597669539205 0.11525337088238 32.065 > 49 50 S 0.37500000000000 0.01597669539205 0.11525337088238 32.065 > 49 51 S 0.62500000000000 0.01597669539205 0.11525337088238 32.065 > 49 52 S 0.87500000000000 0.01597669539205 0.11525337088238 32.065 > 49 53 S 0.12500000000000 0.01597669539205 0.61525337088238 32.065 > 49 54 S 0.37500000000000 0.01597669539205 0.61525337088238 32.065 > 49 55 S 0.62500000000000 0.01597669539205 0.61525337088238 32.065 > 49 56 S 0.87500000000000 0.01597669539205 0.61525337088238 32.065 > 49 57 S 0.12500000000000 0.73864960072654 0.44801024561020 32.065 > 57 58 S 0.37500000000000 0.73864960072654 0.44801024561020 32.065 > 57 59 S 0.62500000000000 0.73864960072654 0.44801024561020 32.065 > 57 60 S 0.87500000000000 0.73864960072654 0.44801024561020 32.065 > 57 61 S 0.12500000000000 0.73864960072654 0.94801024561020 32.065 > 57 62 S 0.37500000000000 0.73864960072654 0.94801024561020 32.065 > 57 63 S 0.62500000000000 0.73864960072654 0.94801024561020 32.065 > 57 64 S 0.87500000000000 0.73864960072654 0.94801024561020 32.065 > 57 65 Ba 0.00000000000000 0.89850600483086 0.00206072469316 137.327 > 65 66 Ba 0.25000000000000 0.89850600483086 0.00206072469316 137.327 > 65 67 Ba 0.50000000000000 0.89850600483086 0.00206072469316 137.327 > 65 68 Ba 0.75000000000000 0.89850600483086 0.00206072469316 137.327 > 65 69 Ba 0.00000000000000 0.89850600483086 0.50206072469316 137.327 > 65 70 Ba 0.25000000000000 0.89850600483086 0.50206072469316 137.327 > 65 71 Ba 0.50000000000000 0.89850600483086 0.50206072469316 137.327 > 65 72 Ba 0.75000000000000 0.89850600483086 0.50206072469316 137.327 > 65 73 Ba 0.00000000000000 0.60859027305947 0.34173496855326 137.327 > 73 74 Ba 0.25000000000000 0.60859027305947 0.34173496855326 137.327 > 73 75 Ba 0.50000000000000 0.60859027305947 0.34173496855326 137.327 > 73 76 Ba 0.75000000000000 0.60859027305947 0.34173496855326 137.327 > 73 77 Ba 0.00000000000000 0.60859027305947 0.84173496855326 137.327 > 73 78 Ba 0.25000000000000 0.60859027305947 0.84173496855326 137.327 > 73 79 Ba 0.50000000000000 0.60859027305947 0.84173496855326 137.327 > 73 80 Ba 0.75000000000000 0.60859027305947 0.84173496855326 137.327 > 73 81 Ba 0.00000000000000 0.10149399516914 0.25206072469316 137.327 > 81 82 Ba 0.25000000000000 0.10149399516914 0.25206072469316 137.327 > 81 83 Ba 0.50000000000000 0.10149399516914 0.25206072469316 137.327 > 81 84 Ba 0.75000000000000 0.10149399516914 0.25206072469316 137.327 > 81 85 Ba 0.00000000000000 0.10149399516914 0.75206072469316 137.327 > 81 86 Ba 0.25000000000000 0.10149399516914 0.75206072469316 137.327 > 81 87 Ba 0.50000000000000 0.10149399516914 0.75206072469316 137.327 > 81 88 Ba 0.75000000000000 0.10149399516914 0.75206072469316 137.327 > 81 89 Ba 0.00000000000000 0.39140972694053 0.09173496855326 137.327 > 89 90 Ba 0.25000000000000 0.39140972694053 0.09173496855326 137.327 > 89 91 Ba 0.50000000000000 0.39140972694053 0.09173496855326 137.327 > 89 92 Ba 0.75000000000000 0.39140972694053 0.09173496855326 137.327 > 89 93 Ba 0.00000000000000 0.39140972694053 0.59173496855326 137.327 > 89 94 Ba 0.25000000000000 0.39140972694053 0.59173496855326 137.327 > 89 95 Ba 0.50000000000000 0.39140972694053 0.59173496855326 137.327 > 89 96 Ba 0.75000000000000 0.39140972694053 0.59173496855326 137.327 > 89 97 Hg 0.12500000000000 0.35183327671884 0.33323704567156 200.590 > 97 98 Hg 0.37500000000000 0.35183327671884 0.33323704567156 200.590 > 97 99 Hg 0.62500000000000 0.35183327671884 0.33323704567156 200.590 > 97 100 Hg 0.87500000000000 0.35183327671884 0.33323704567156 200.590 > 97 101 Hg 0.12500000000000 0.35183327671884 0.83323704567156 200.590 > 97 102 Hg 0.37500000000000 0.35183327671884 0.83323704567156 200.590 > 97 103 Hg 0.62500000000000 0.35183327671884 0.83323704567156 200.590 > 97 104 Hg 0.87500000000000 0.35183327671884 0.83323704567156 200.590 > 97 105 Hg 0.12500000000000 0.64816672328116 0.08323704567156 200.590 > 105 106 Hg 0.37500000000000 0.64816672328116 0.08323704567156 200.590 > 105 107 Hg 0.62500000000000 0.64816672328116 0.08323704567156 200.590 > 105 108 Hg 0.87500000000000 0.64816672328116 0.08323704567156 200.590 > 105 109 Hg 0.12500000000000 0.64816672328116 0.58323704567156 200.590 > 105 110 Hg 0.37500000000000 0.64816672328116 0.58323704567156 200.590 > 105 111 Hg 0.62500000000000 0.64816672328116 0.58323704567156 200.590 > 105 112 Hg 0.87500000000000 0.64816672328116 0.58323704567156 200.590 > 105 113 Hg 0.12500000000000 0.14187570738359 0.49833751483394 200.590 > 113 114 Hg 0.37500000000000 0.14187570738359 0.49833751483394 200.590 > 113 115 Hg 0.62500000000000 0.14187570738359 0.49833751483394 200.590 > 113 116 Hg 0.87500000000000 0.14187570738359 0.49833751483394 200.590 > 113 117 Hg 0.12500000000000 0.14187570738359 0.99833751483394 200.590 > 113 118 Hg 0.37500000000000 0.14187570738359 0.99833751483394 200.590 > 113 119 Hg 0.62500000000000 0.14187570738359 0.99833751483394 200.590 > 113 120 Hg 0.87500000000000 0.14187570738359 0.99833751483394 200.590 > 113 121 Hg 0.12500000000000 0.85812429261641 0.24833751483394 200.590 > 121 122 Hg 0.37500000000000 0.85812429261641 0.24833751483394 200.590 > 121 123 Hg 0.62500000000000 0.85812429261641 0.24833751483394 200.590 > 121 124 Hg 0.87500000000000 0.85812429261641 0.24833751483394 200.590 > 121 125 Hg 0.12500000000000 0.85812429261641 0.74833751483394 200.590 > 121 126 Hg 0.37500000000000 0.85812429261641 0.74833751483394 200.590 > 121 127 Hg 0.62500000000000 0.85812429261641 0.74833751483394 200.590 > 121 128 Hg 0.87500000000000 0.85812429261641 0.74833751483394 200.590 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.5132841 0.0000000 0.0000000 0.0000000 7.0729740 0.0000000 0.0000000 0.0000000 7.4206348 -------------------------- Born effective charges -------------------------- 1 S -1.7911255 0.0000000 0.0000000 0.0000000 -2.3371590 0.1465826 0.0000000 -0.0915045 -2.2074957 2 S -1.7911255 0.0000000 0.0000000 0.0000000 -2.3371590 -0.1465826 0.0000000 0.0915045 -2.2074957 3 S -4.2022309 0.0000000 0.0000000 0.0000000 -2.4764184 0.3440341 0.0000000 0.3238478 -2.1864552 4 S -4.2022309 0.0000000 0.0000000 0.0000000 -2.4764184 -0.3440341 0.0000000 -0.3238478 -2.1864552 5 S -1.7318786 0.0000000 0.0000000 0.0000000 -2.0418096 0.1054536 0.0000000 -0.0278499 -2.3132490 6 S -2.1833838 0.0000000 0.0000000 0.0000000 -2.3257803 -0.0286744 0.0000000 -0.4452352 -2.8419143 7 S -2.1833838 0.0000000 0.0000000 0.0000000 -2.3257803 0.0286744 0.0000000 0.4452352 -2.8419143 8 S -1.7318786 0.0000000 0.0000000 0.0000000 -2.0418096 -0.1054536 0.0000000 0.0278499 -2.3132490 9 Ba 2.8154823 0.0000000 0.0000000 0.0000000 2.3786381 0.4694351 0.0000000 -0.6318462 2.5391019 10 Ba 2.6943426 0.0000000 0.0000000 0.0000000 2.7083205 -0.6258166 0.0000000 0.4734909 2.7883114 11 Ba 2.8154823 0.0000000 0.0000000 0.0000000 2.3786381 -0.4694351 0.0000000 0.6318462 2.5391019 12 Ba 2.6943426 0.0000000 0.0000000 0.0000000 2.7083205 0.6258166 0.0000000 -0.4734909 2.7883114 13 Hg 0.9500268 0.0000000 0.0000000 0.0000000 1.9463473 0.2697510 0.0000000 0.3600422 2.0745686 14 Hg 0.9500268 0.0000000 0.0000000 0.0000000 1.9463473 -0.2697510 0.0000000 -0.3600422 2.0745686 15 Hg 3.4487670 0.0000000 0.0000000 0.0000000 2.1478615 -0.4687145 0.0000000 -0.5483754 2.1471322 16 Hg 3.4487670 0.0000000 0.0000000 0.0000000 2.1478615 0.4687145 0.0000000 0.5483754 2.1471322 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 4 7 ] 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: 0.55, Number of G-points: 289, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 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 0.758 ( 0.000 0.000 0.000) 0.000 0.780 ( 0.000 0.000 0.000) 0.000 1.025 ( 0.000 0.000 0.000) 0.000 1.089 ( 0.000 0.000 0.000) 0.000 1.137 ( 0.000 0.000 0.000) 0.000 1.284 ( 0.000 0.000 0.000) 0.000 1.373 ( 0.000 0.000 0.000) 0.000 1.434 ( 0.000 0.000 0.000) 0.000 1.501 ( 0.000 0.000 0.000) 0.000 1.537 ( 0.000 0.000 0.000) 0.000 1.710 ( 0.000 0.000 0.000) 0.000 1.815 ( 0.000 0.000 0.000) 0.000 1.856 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 0.000) 0.000 2.255 ( 0.000 0.000 0.000) 0.000 2.409 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 0.000) 0.000 4.351 ( 0.000 0.000 0.000) 0.000 4.568 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 4.710 ( 0.000 0.000 0.000) 0.000 4.878 ( 0.000 0.000 0.000) 0.000 4.949 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 5.086 ( 0.000 0.000 0.000) 0.000 5.166 ( 0.000 0.000 0.000) 0.000 5.197 ( 0.000 0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 5.973 ( 0.000 0.000 0.000) 0.000 5.988 ( 0.000 0.000 0.000) 0.000 6.124 ( 0.000 0.000 0.000) 0.000 6.162 ( 0.000 0.000 0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 6.890 ( 0.000 0.000 0.000) 0.000 7.452 ( 0.000 0.000 0.000) 0.000 8.708 ( 0.000 0.000 0.000) 0.000 9.006 ( 0.000 0.000 0.000) 0.000 9.537 ( 0.000 0.000 0.000) 0.000 10.391 ( 0.000 0.000 0.000) 0.000 10.420 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( 16.346 0.000 0.000) 16.346 0.336 ( 16.719 0.000 0.000) 16.719 0.651 ( 26.456 0.000 0.000) 26.456 0.864 ( 8.454 0.000 0.000) 8.454 0.876 ( 6.441 0.000 0.000) 6.441 1.056 ( 3.250 0.000 0.000) 3.250 1.103 ( 1.401 0.000 0.000) 1.401 1.289 ( 0.791 0.000 0.000) 0.791 1.310 ( 11.871 0.000 0.000) 11.871 1.410 ( 4.584 0.000 0.000) 4.584 1.433 ( -0.213 0.000 0.000) 0.213 1.511 ( 1.538 0.000 0.000) 1.538 1.521 ( -0.926 0.000 0.000) 0.926 1.763 ( 5.290 0.000 0.000) 5.290 1.825 ( 1.244 0.000 0.000) 1.244 1.865 ( 1.026 0.000 0.000) 1.026 2.061 ( -3.343 0.000 0.000) 3.343 2.250 ( 0.102 0.000 0.000) 0.102 2.329 ( 10.363 0.000 0.000) 10.363 2.452 ( 3.871 0.000 0.000) 3.871 2.590 ( 5.863 0.000 0.000) 5.863 2.817 ( -4.425 0.000 0.000) 4.425 3.039 ( -4.580 0.000 0.000) 4.580 3.059 ( -5.973 0.000 0.000) 5.973 4.464 ( 10.022 0.000 0.000) 10.022 4.626 ( 4.005 0.000 0.000) 4.005 4.689 ( 4.326 0.000 0.000) 4.326 4.730 ( 2.396 0.000 0.000) 2.396 4.888 ( 2.473 0.000 0.000) 2.473 5.043 ( 6.263 0.000 0.000) 6.263 5.116 ( -1.709 0.000 0.000) 1.709 5.116 ( 4.648 0.000 0.000) 4.648 5.228 ( 2.293 0.000 0.000) 2.293 5.758 ( 0.377 0.000 0.000) 0.377 5.922 ( -2.823 0.000 0.000) 2.823 5.936 ( -0.408 0.000 0.000) 0.408 6.089 ( 8.649 0.000 0.000) 8.649 6.149 ( -3.132 0.000 0.000) 3.132 6.388 ( 12.968 0.000 0.000) 12.968 6.406 ( -0.734 0.000 0.000) 0.734 6.865 ( -1.061 0.000 0.000) 1.061 7.371 ( -4.570 0.000 0.000) 4.570 7.557 ( 4.851 0.000 0.000) 4.851 8.685 ( -2.226 0.000 0.000) 2.226 9.000 ( -0.561 0.000 0.000) 0.561 9.530 ( -0.735 0.000 0.000) 0.735 10.379 ( -1.093 0.000 0.000) 1.093 10.409 ( -1.005 0.000 0.000) 1.005 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 14.380 0.000 0.000) 14.380 0.647 ( 14.235 0.000 0.000) 14.235 0.951 ( 3.998 0.000 0.000) 3.998 1.007 ( 5.204 0.000 0.000) 5.204 1.012 ( 8.278 0.000 0.000) 8.278 1.134 ( 1.386 0.000 0.000) 1.386 1.161 ( 7.820 0.000 0.000) 7.820 1.334 ( 3.763 0.000 0.000) 3.763 1.427 ( -0.225 0.000 0.000) 0.225 1.465 ( 5.616 0.000 0.000) 5.616 1.506 ( 1.823 0.000 0.000) 1.823 1.524 ( 1.331 0.000 0.000) 1.331 1.668 ( 9.842 0.000 0.000) 9.842 1.873 ( 3.558 0.000 0.000) 3.558 1.890 ( 2.520 0.000 0.000) 2.520 2.011 ( 18.220 0.000 0.000) 18.220 2.014 ( -0.564 0.000 0.000) 0.564 2.288 ( 6.962 0.000 0.000) 6.962 2.522 ( 1.229 0.000 0.000) 1.229 2.601 ( 15.552 0.000 0.000) 15.552 2.650 ( -2.305 0.000 0.000) 2.305 2.735 ( -2.919 0.000 0.000) 2.919 2.900 ( -9.333 0.000 0.000) 9.333 2.964 ( -0.293 0.000 0.000) 0.293 4.687 ( 11.423 0.000 0.000) 11.423 4.692 ( 2.233 0.000 0.000) 2.233 4.777 ( 4.063 0.000 0.000) 4.063 4.831 ( 7.679 0.000 0.000) 7.679 4.957 ( 3.765 0.000 0.000) 3.765 5.107 ( 0.826 0.000 0.000) 0.826 5.176 ( 9.139 0.000 0.000) 9.139 5.247 ( -0.190 0.000 0.000) 0.190 5.277 ( 8.947 0.000 0.000) 8.947 5.765 ( 0.118 0.000 0.000) 0.118 5.881 ( -1.747 0.000 0.000) 1.747 5.923 ( -1.199 0.000 0.000) 1.199 6.041 ( -5.955 0.000 0.000) 5.955 6.284 ( 9.187 0.000 0.000) 9.187 6.409 ( 2.015 0.000 0.000) 2.015 6.526 ( -2.901 0.000 0.000) 2.901 7.008 ( 17.088 0.000 0.000) 17.088 7.281 ( -4.479 0.000 0.000) 4.479 7.658 ( 5.399 0.000 0.000) 5.399 8.626 ( -3.527 0.000 0.000) 3.527 8.987 ( -0.675 0.000 0.000) 0.675 9.510 ( -1.116 0.000 0.000) 1.116 10.352 ( -1.535 0.000 0.000) 1.535 10.385 ( -1.301 0.000 0.000) 1.301 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 8.012 0.000 0.000) 8.012 0.884 ( 10.348 0.000 0.000) 10.348 1.022 ( 4.514 0.000 0.000) 4.514 1.083 ( 3.089 0.000 0.000) 3.089 1.102 ( 2.396 0.000 0.000) 2.396 1.155 ( 0.825 0.000 0.000) 0.825 1.331 ( 8.088 0.000 0.000) 8.088 1.410 ( 3.255 0.000 0.000) 3.255 1.434 ( 1.385 0.000 0.000) 1.385 1.538 ( 1.498 0.000 0.000) 1.498 1.568 ( 2.771 0.000 0.000) 2.771 1.573 ( 4.938 0.000 0.000) 4.938 1.825 ( 7.244 0.000 0.000) 7.244 1.948 ( 3.666 0.000 0.000) 3.666 1.958 ( 4.759 0.000 0.000) 4.759 2.055 ( 4.605 0.000 0.000) 4.605 2.194 ( 3.319 0.000 0.000) 3.319 2.425 ( -8.887 0.000 0.000) 8.887 2.567 ( -8.292 0.000 0.000) 8.292 2.606 ( -1.346 0.000 0.000) 1.346 2.677 ( -0.333 0.000 0.000) 0.333 2.746 ( 17.891 0.000 0.000) 17.891 2.948 ( 14.914 0.000 0.000) 14.914 3.035 ( 4.713 0.000 0.000) 4.713 4.725 ( 1.213 0.000 0.000) 1.213 4.814 ( 0.444 0.000 0.000) 0.444 4.902 ( 9.272 0.000 0.000) 9.272 4.998 ( 8.265 0.000 0.000) 8.265 5.064 ( 7.431 0.000 0.000) 7.431 5.141 ( 1.746 0.000 0.000) 1.746 5.244 ( 1.169 0.000 0.000) 1.169 5.384 ( 8.202 0.000 0.000) 8.202 5.409 ( 6.329 0.000 0.000) 6.329 5.760 ( -0.591 0.000 0.000) 0.591 5.798 ( -6.779 0.000 0.000) 6.779 5.884 ( -2.558 0.000 0.000) 2.558 6.016 ( 4.150 0.000 0.000) 4.150 6.395 ( -7.839 0.000 0.000) 7.839 6.395 ( 3.492 0.000 0.000) 3.492 6.492 ( 3.848 0.000 0.000) 3.848 7.198 ( -3.883 0.000 0.000) 3.883 7.366 ( 16.178 0.000 0.000) 16.178 7.770 ( 5.881 0.000 0.000) 5.881 8.553 ( -3.702 0.000 0.000) 3.702 8.975 ( -0.504 0.000 0.000) 0.504 9.488 ( -1.107 0.000 0.000) 1.107 10.322 ( -1.482 0.000 0.000) 1.482 10.360 ( -1.155 0.000 0.000) 1.155 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 3.284 0.000 0.000) 3.284 1.035 ( 4.782 0.000 0.000) 4.782 1.103 ( 1.692 0.000 0.000) 1.692 1.145 ( 3.308 0.000 0.000) 3.308 1.163 ( 4.928 0.000 0.000) 4.928 1.171 ( 0.837 0.000 0.000) 0.837 1.469 ( 3.801 0.000 0.000) 3.801 1.471 ( 6.223 0.000 0.000) 6.223 1.489 ( 3.523 0.000 0.000) 3.523 1.564 ( 1.189 0.000 0.000) 1.189 1.617 ( 1.918 0.000 0.000) 1.918 1.654 ( 3.332 0.000 0.000) 3.332 1.930 ( 2.881 0.000 0.000) 2.881 2.034 ( 1.045 0.000 0.000) 1.045 2.055 ( 6.893 0.000 0.000) 6.893 2.151 ( 2.732 0.000 0.000) 2.732 2.255 ( 3.076 0.000 0.000) 3.076 2.261 ( -5.828 0.000 0.000) 5.828 2.390 ( -12.109 0.000 0.000) 12.109 2.401 ( -5.279 0.000 0.000) 5.279 2.661 ( -2.056 0.000 0.000) 2.056 3.089 ( 0.291 0.000 0.000) 0.291 3.182 ( 13.101 0.000 0.000) 13.101 3.279 ( 22.289 0.000 0.000) 22.289 4.741 ( 0.455 0.000 0.000) 0.455 4.802 ( -1.117 0.000 0.000) 1.117 5.067 ( 7.226 0.000 0.000) 7.226 5.100 ( 0.155 0.000 0.000) 0.155 5.177 ( 4.239 0.000 0.000) 4.239 5.219 ( 7.081 0.000 0.000) 7.081 5.334 ( 7.093 0.000 0.000) 7.093 5.400 ( -1.724 0.000 0.000) 1.724 5.597 ( 6.130 0.000 0.000) 6.130 5.684 ( -1.778 0.000 0.000) 1.778 5.740 ( -1.428 0.000 0.000) 1.428 5.835 ( -2.113 0.000 0.000) 2.113 6.112 ( 1.946 0.000 0.000) 1.946 6.289 ( -0.206 0.000 0.000) 0.206 6.452 ( 0.910 0.000 0.000) 0.910 6.512 ( -0.407 0.000 0.000) 0.407 7.128 ( -3.184 0.000 0.000) 3.184 7.605 ( 8.022 0.000 0.000) 8.022 7.880 ( 4.934 0.000 0.000) 4.934 8.486 ( -3.001 0.000 0.000) 3.001 8.966 ( -0.370 0.000 0.000) 0.370 9.468 ( -0.865 0.000 0.000) 0.865 10.295 ( -1.182 0.000 0.000) 1.182 10.340 ( -0.895 0.000 0.000) 0.895 ======================= Grid point 5 (6/84) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 2.566 0.000 0.000) 2.566 1.088 ( 1.251 0.000 0.000) 1.251 1.110 ( -0.444 0.000 0.000) 0.444 1.180 ( 0.493 0.000 0.000) 0.493 1.215 ( 2.855 0.000 0.000) 2.855 1.252 ( 3.353 0.000 0.000) 3.353 1.548 ( 2.817 0.000 0.000) 2.817 1.574 ( 3.804 0.000 0.000) 3.804 1.580 ( 6.171 0.000 0.000) 6.171 1.584 ( 0.926 0.000 0.000) 0.926 1.645 ( 1.379 0.000 0.000) 1.379 1.713 ( 2.973 0.000 0.000) 2.973 1.936 ( -8.367 0.000 0.000) 8.367 1.957 ( -0.091 0.000 0.000) 0.091 2.137 ( -6.728 0.000 0.000) 6.728 2.152 ( -4.197 0.000 0.000) 4.197 2.186 ( -0.325 0.000 0.000) 0.325 2.192 ( 2.322 0.000 0.000) 2.322 2.326 ( 2.800 0.000 0.000) 2.800 2.453 ( 6.785 0.000 0.000) 6.785 2.604 ( -3.026 0.000 0.000) 3.026 3.050 ( -3.572 0.000 0.000) 3.572 3.350 ( 5.223 0.000 0.000) 5.223 3.670 ( 14.943 0.000 0.000) 14.943 4.744 ( -0.091 0.000 0.000) 0.091 4.782 ( -0.782 0.000 0.000) 0.782 5.078 ( -1.113 0.000 0.000) 1.113 5.181 ( 4.167 0.000 0.000) 4.167 5.259 ( 3.140 0.000 0.000) 3.140 5.295 ( -0.078 0.000 0.000) 0.078 5.391 ( 1.904 0.000 0.000) 1.904 5.476 ( 6.299 0.000 0.000) 6.299 5.578 ( -2.222 0.000 0.000) 2.222 5.707 ( -1.749 0.000 0.000) 1.749 5.782 ( 5.516 0.000 0.000) 5.516 5.805 ( -0.943 0.000 0.000) 0.943 6.072 ( -3.170 0.000 0.000) 3.170 6.376 ( 5.422 0.000 0.000) 5.422 6.389 ( -4.828 0.000 0.000) 4.828 6.544 ( 2.132 0.000 0.000) 2.132 7.075 ( -2.029 0.000 0.000) 2.029 7.700 ( 2.206 0.000 0.000) 2.206 7.956 ( 2.570 0.000 0.000) 2.570 8.438 ( -1.702 0.000 0.000) 1.702 8.960 ( -0.251 0.000 0.000) 0.251 9.455 ( -0.486 0.000 0.000) 0.486 10.277 ( -0.672 0.000 0.000) 0.672 10.326 ( -0.515 0.000 0.000) 0.515 ======================= Grid point 6 (7/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.000 0.000 0.000) 0.000 1.098 ( 0.000 0.000 0.000) 0.000 1.099 ( 0.000 0.000 0.000) 0.000 1.184 ( 0.000 0.000 0.000) 0.000 1.246 ( 0.000 0.000 0.000) 0.000 1.286 ( 0.000 0.000 0.000) 0.000 1.572 ( 0.000 0.000 0.000) 0.000 1.592 ( 0.000 0.000 0.000) 0.000 1.615 ( 0.000 0.000 0.000) 0.000 1.662 ( 0.000 0.000 0.000) 0.000 1.691 ( -0.000 0.000 0.000) 0.000 1.759 ( 0.000 0.000 0.000) 0.000 1.808 ( 0.000 0.000 0.000) 0.000 1.936 ( 0.000 0.000 0.000) 0.000 2.058 ( 0.000 0.000 0.000) 0.000 2.074 ( 0.000 0.000 0.000) 0.000 2.217 ( 0.000 0.000 0.000) 0.000 2.218 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 0.000 0.000) 0.000 2.540 ( 0.000 0.000 0.000) 0.000 2.568 ( 0.000 0.000 0.000) 0.000 3.000 ( 0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 3.824 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 0.000) 0.000 5.067 ( 0.000 0.000 0.000) 0.000 5.224 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 5.291 ( 0.000 0.000 0.000) 0.000 5.419 ( 0.000 0.000 0.000) 0.000 5.547 ( 0.000 0.000 0.000) 0.000 5.555 ( 0.000 0.000 0.000) 0.000 5.685 ( 0.000 0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 5.841 ( 0.000 0.000 0.000) 0.000 6.035 ( 0.000 0.000 0.000) 0.000 6.331 ( 0.000 0.000 0.000) 0.000 6.435 ( 0.000 0.000 0.000) 0.000 6.567 ( 0.000 0.000 0.000) 0.000 7.054 ( 0.000 0.000 0.000) 0.000 7.718 ( 0.000 0.000 0.000) 0.000 7.981 ( 0.000 0.000 0.000) 0.000 8.421 ( 0.000 0.000 0.000) 0.000 8.957 ( 0.000 0.000 0.000) 0.000 9.450 ( 0.000 0.000 0.000) 0.000 10.270 ( 0.000 0.000 0.000) 0.000 10.321 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 13 (8/84) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( 0.000 16.111 0.000) 16.111 0.348 ( 0.000 19.258 0.000) 19.258 0.543 ( 0.000 29.552 0.000) 29.552 0.688 ( 0.000 -5.654 0.000) 5.654 0.834 ( 0.000 3.763 0.000) 3.763 0.918 ( 0.000 -10.779 0.000) 10.779 1.022 ( 0.000 -5.696 0.000) 5.696 1.163 ( 0.000 1.339 0.000) 1.339 1.260 ( 0.000 -4.807 0.000) 4.807 1.363 ( 0.000 -1.520 0.000) 1.520 1.456 ( 0.000 1.420 0.000) 1.420 1.491 ( 0.000 -1.975 0.000) 1.975 1.593 ( 0.000 1.188 0.000) 1.188 1.671 ( 0.000 -3.085 0.000) 3.085 1.832 ( 0.000 -1.545 0.000) 1.545 1.882 ( 0.000 -2.014 0.000) 2.014 2.019 ( 0.000 -8.560 0.000) 8.560 2.166 ( 0.000 5.631 0.000) 5.631 2.213 ( 0.000 -4.020 0.000) 4.020 2.491 ( 0.000 -2.962 0.000) 2.962 2.642 ( 0.000 14.554 0.000) 14.554 2.893 ( 0.000 0.540 0.000) 0.540 3.092 ( 0.000 -2.802 0.000) 2.802 3.136 ( 0.000 -1.781 0.000) 1.781 4.375 ( 0.000 2.589 0.000) 2.589 4.518 ( 0.000 -4.424 0.000) 4.424 4.654 ( 0.000 0.902 0.000) 0.902 4.722 ( 0.000 1.084 0.000) 1.084 4.906 ( 0.000 -1.357 0.000) 1.357 4.929 ( 0.000 -0.540 0.000) 0.540 5.000 ( 0.000 3.344 0.000) 3.344 5.176 ( 0.000 0.893 0.000) 0.893 5.180 ( 0.000 -1.697 0.000) 1.697 5.738 ( 0.000 -1.113 0.000) 1.113 5.850 ( 0.000 3.075 0.000) 3.075 5.973 ( 0.000 -1.673 0.000) 1.673 6.119 ( 0.000 -0.452 0.000) 0.452 6.167 ( 0.000 0.395 0.000) 0.395 6.215 ( 0.000 -0.064 0.000) 0.064 6.370 ( 0.000 -1.776 0.000) 1.776 6.437 ( 0.000 1.120 0.000) 1.120 7.188 ( 0.000 -0.043 0.000) 0.043 7.455 ( 0.000 0.261 0.000) 0.261 8.791 ( 0.000 -0.024 0.000) 0.024 9.006 ( 0.000 -0.001 0.000) 0.001 9.539 ( 0.000 -0.110 0.000) 0.110 10.393 ( 0.000 0.148 0.000) 0.148 10.585 ( 0.000 -0.079 0.000) 0.079 ======================= Grid point 14 (9/84) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 10.079 11.174 0.000) 15.048 0.476 ( 11.108 11.864 0.000) 16.252 0.776 ( 15.181 10.580 0.000) 18.504 0.784 ( 7.790 -4.601 0.000) 9.047 0.905 ( 4.520 -3.318 0.000) 5.607 0.996 ( 7.987 -1.782 0.000) 8.183 1.084 ( 3.253 -2.410 0.000) 4.049 1.259 ( 2.394 -6.682 0.000) 7.098 1.284 ( 8.788 -0.953 0.000) 8.840 1.381 ( 2.436 -0.422 0.000) 2.472 1.440 ( -1.674 -1.014 0.000) 1.957 1.493 ( 4.795 3.312 0.000) 5.828 1.593 ( 0.604 2.439 0.000) 2.513 1.736 ( 5.431 -1.556 0.000) 5.649 1.830 ( 1.484 0.404 0.000) 1.538 1.900 ( 2.173 2.253 0.000) 3.131 2.073 ( 4.001 -5.323 0.000) 6.659 2.196 ( 3.937 0.137 0.000) 3.939 2.210 ( 1.744 -4.377 0.000) 4.712 2.496 ( 0.764 -2.111 0.000) 2.245 2.687 ( 4.016 9.718 0.000) 10.515 2.838 ( -4.379 1.532 0.000) 4.639 3.038 ( -5.177 -1.937 0.000) 5.528 3.052 ( -5.569 0.312 0.000) 5.578 4.483 ( 9.432 2.112 0.000) 9.666 4.600 ( 5.789 -2.768 0.000) 6.417 4.704 ( 3.123 1.443 0.000) 3.441 4.746 ( 3.737 0.614 0.000) 3.787 4.886 ( 0.863 0.086 0.000) 0.867 5.043 ( 3.876 0.082 0.000) 3.877 5.061 ( 6.943 -2.639 0.000) 7.428 5.128 ( 0.249 -0.195 0.000) 0.316 5.252 ( 2.680 1.586 0.000) 3.114 5.763 ( 0.668 0.113 0.000) 0.677 5.881 ( 1.158 -1.264 0.000) 1.714 5.945 ( -1.294 -1.364 0.000) 1.881 6.060 ( 0.088 -0.953 0.000) 0.957 6.195 ( 2.181 2.624 0.000) 3.412 6.374 ( 4.720 -0.788 0.000) 4.786 6.429 ( 6.594 1.709 0.000) 6.812 6.766 ( 14.291 -8.962 0.000) 16.869 7.238 ( 4.434 -9.157 0.000) 10.174 7.462 ( 2.038 -1.723 0.000) 2.668 8.727 ( -4.448 1.990 0.000) 4.873 8.999 ( -0.606 -0.041 0.000) 0.607 9.530 ( -0.758 0.033 0.000) 0.759 10.376 ( -1.325 0.016 0.000) 1.325 10.484 ( -5.319 4.168 0.000) 6.758 ======================= Grid point 15 (10/84) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 11.575 3.779 0.000) 12.177 0.710 ( 11.464 4.857 0.000) 12.450 0.912 ( 5.532 -4.293 0.000) 7.002 0.937 ( 3.994 -4.010 0.000) 5.660 1.079 ( 7.774 3.835 0.000) 8.668 1.123 ( 3.665 -0.681 0.000) 3.728 1.166 ( 7.015 0.407 0.000) 7.027 1.309 ( 3.754 -5.152 0.000) 6.375 1.364 ( 1.457 -3.511 0.000) 3.801 1.436 ( 1.512 -2.247 0.000) 2.709 1.488 ( 5.302 1.822 0.000) 5.607 1.586 ( 1.229 2.896 0.000) 3.146 1.701 ( 9.008 2.721 0.000) 9.410 1.850 ( 4.796 -2.568 0.000) 5.440 1.914 ( 3.398 2.321 0.000) 4.115 2.038 ( 12.185 4.595 0.000) 13.023 2.103 ( 1.678 5.770 0.000) 6.009 2.244 ( 7.854 -2.834 0.000) 8.349 2.444 ( 13.027 -7.793 0.000) 15.180 2.523 ( 3.685 -5.226 0.000) 6.395 2.706 ( -4.828 2.690 0.000) 5.527 2.761 ( -2.816 2.375 0.000) 3.684 2.919 ( -5.900 1.360 0.000) 6.055 2.969 ( -0.405 0.468 0.000) 0.620 4.684 ( 7.834 0.287 0.000) 7.839 4.707 ( 6.140 0.466 0.000) 6.157 4.764 ( 3.585 -0.610 0.000) 3.637 4.856 ( 6.475 1.988 0.000) 6.773 4.943 ( 4.359 -1.252 0.000) 4.535 5.091 ( 2.151 -1.963 0.000) 2.912 5.166 ( 6.268 0.665 0.000) 6.303 5.265 ( 8.864 -1.199 0.000) 8.945 5.287 ( 2.035 2.695 0.000) 3.377 5.769 ( -0.066 0.357 0.000) 0.364 5.882 ( -1.138 0.265 0.000) 1.169 5.916 ( -1.625 -0.922 0.000) 1.869 6.026 ( -3.680 -1.083 0.000) 3.836 6.287 ( 6.503 0.056 0.000) 6.503 6.410 ( 2.883 0.118 0.000) 2.885 6.522 ( -2.795 -0.347 0.000) 2.816 7.024 ( 15.164 1.664 0.000) 15.255 7.279 ( 0.719 -0.322 0.000) 0.788 7.569 ( 7.579 -7.472 0.000) 10.643 8.641 ( -4.264 1.137 0.000) 4.413 8.985 ( -0.751 -0.142 0.000) 0.764 9.512 ( -1.067 0.115 0.000) 1.073 10.348 ( -1.421 -0.186 0.000) 1.433 10.408 ( -2.780 1.776 0.000) 3.299 ======================= Grid point 16 (11/84) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 8.120 -0.013 0.000) 8.120 0.909 ( 8.738 0.986 0.000) 8.794 1.013 ( 4.797 -1.666 0.000) 5.078 1.020 ( 4.647 -2.637 0.000) 5.343 1.137 ( 1.101 1.336 0.000) 1.731 1.174 ( 1.109 1.431 0.000) 1.811 1.328 ( 7.354 0.269 0.000) 7.359 1.398 ( 3.727 -3.346 0.000) 5.009 1.409 ( 4.582 -0.815 0.000) 4.654 1.475 ( 2.347 -2.877 0.000) 3.713 1.584 ( 4.047 1.073 0.000) 4.187 1.613 ( 1.695 1.877 0.000) 2.529 1.867 ( 7.648 3.745 0.000) 8.516 1.949 ( 5.162 -0.313 0.000) 5.171 1.976 ( 3.617 1.914 0.000) 4.093 2.101 ( 1.984 5.070 0.000) 5.444 2.172 ( 2.687 -2.340 0.000) 3.563 2.384 ( -3.592 -4.546 0.000) 5.793 2.538 ( -9.301 -3.759 0.000) 10.032 2.553 ( -8.606 -1.504 0.000) 8.736 2.726 ( 18.548 4.230 0.000) 19.025 2.808 ( 6.272 3.967 0.000) 7.421 2.929 ( 13.603 -1.435 0.000) 13.679 3.017 ( 2.932 -1.959 0.000) 3.526 4.733 ( 0.930 0.760 0.000) 1.201 4.808 ( 0.833 -0.666 0.000) 1.067 4.900 ( 9.709 -0.161 0.000) 9.710 4.999 ( 7.603 0.347 0.000) 7.611 5.049 ( 5.630 -1.141 0.000) 5.744 5.157 ( 4.656 0.121 0.000) 4.657 5.228 ( 0.809 0.105 0.000) 0.816 5.386 ( 3.608 -0.641 0.000) 3.664 5.432 ( 10.433 2.245 0.000) 10.672 5.756 ( -1.835 -0.292 0.000) 1.858 5.807 ( -5.263 0.821 0.000) 5.327 5.880 ( -2.105 -0.479 0.000) 2.159 6.013 ( 3.189 -0.220 0.000) 3.197 6.381 ( -0.823 -0.728 0.000) 1.099 6.407 ( -2.779 0.449 0.000) 2.815 6.487 ( 3.311 -0.453 0.000) 3.342 7.167 ( -0.978 -2.255 0.000) 2.458 7.426 ( 12.802 5.345 0.000) 13.872 7.724 ( 7.743 -4.599 0.000) 9.005 8.559 ( -3.940 0.523 0.000) 3.974 8.972 ( -0.587 -0.284 0.000) 0.652 9.490 ( -1.060 0.206 0.000) 1.080 10.320 ( -1.404 -0.125 0.000) 1.410 10.366 ( -1.581 0.489 0.000) 1.654 ======================= Grid point 17 (12/84) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 3.773 0.616 0.000) 3.822 1.049 ( 4.830 -0.044 0.000) 4.830 1.091 ( 2.759 -0.618 0.000) 2.827 1.124 ( 5.479 -0.786 0.000) 5.535 1.159 ( 1.412 0.043 0.000) 1.412 1.188 ( 1.104 0.046 0.000) 1.105 1.424 ( 3.339 -1.237 0.000) 3.561 1.487 ( 5.100 0.068 0.000) 5.100 1.520 ( 5.174 1.509 0.000) 5.389 1.526 ( 3.249 -2.868 0.000) 4.334 1.637 ( 1.461 1.084 0.000) 1.819 1.659 ( 2.695 0.544 0.000) 2.749 1.955 ( 1.349 2.301 0.000) 2.667 2.033 ( 0.989 -0.242 0.000) 1.018 2.069 ( 5.550 1.816 0.000) 5.840 2.155 ( 2.711 0.370 0.000) 2.736 2.233 ( 0.971 -1.817 0.000) 2.061 2.295 ( -2.317 2.185 0.000) 3.185 2.321 ( -10.089 -4.760 0.000) 11.155 2.388 ( -5.232 -1.698 0.000) 5.501 2.740 ( -3.415 7.142 0.000) 7.916 3.029 ( -1.231 -5.616 0.000) 5.749 3.198 ( 15.352 0.968 0.000) 15.383 3.280 ( 21.211 0.122 0.000) 21.211 4.739 ( -0.157 -0.182 0.000) 0.240 4.811 ( -0.242 0.782 0.000) 0.818 5.071 ( 7.148 0.502 0.000) 7.166 5.099 ( 0.253 -0.238 0.000) 0.348 5.148 ( 6.223 -1.661 0.000) 6.441 5.259 ( 5.174 2.850 0.000) 5.907 5.302 ( 6.394 -2.608 0.000) 6.906 5.393 ( -1.533 -0.916 0.000) 1.786 5.623 ( 5.314 2.166 0.000) 5.738 5.677 ( -2.020 -0.547 0.000) 2.093 5.761 ( -0.540 1.587 0.000) 1.676 5.842 ( -1.183 1.007 0.000) 1.553 6.098 ( 3.084 -1.450 0.000) 3.407 6.264 ( -3.985 -2.024 0.000) 4.470 6.463 ( 2.511 0.906 0.000) 2.670 6.512 ( 0.049 0.003 0.000) 0.049 7.121 ( -2.754 -0.590 0.000) 2.816 7.627 ( 6.782 1.994 0.000) 7.069 7.863 ( 6.045 -1.635 0.000) 6.262 8.489 ( -3.085 0.286 0.000) 3.098 8.962 ( -0.438 -0.422 0.000) 0.608 9.471 ( -0.846 0.263 0.000) 0.886 10.294 ( -1.169 -0.065 0.000) 1.170 10.341 ( -0.977 0.122 0.000) 0.984 ======================= Grid point 18 (13/84) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 1.707 -0.290 0.000) 1.732 1.104 ( 1.316 0.380 0.000) 1.370 1.114 ( 0.199 1.566 0.000) 1.578 1.175 ( 0.271 -0.595 0.000) 0.654 1.217 ( 3.442 0.104 0.000) 3.444 1.249 ( 3.914 -0.442 0.000) 3.939 1.487 ( 2.773 -3.547 0.000) 4.503 1.566 ( 2.314 -1.050 0.000) 2.541 1.587 ( 3.859 1.043 0.000) 3.997 1.620 ( 3.787 1.119 0.000) 3.949 1.657 ( 0.911 1.069 0.000) 1.405 1.712 ( 2.882 -0.098 0.000) 2.884 1.930 ( -5.106 -0.308 0.000) 5.115 1.969 ( -4.360 0.790 0.000) 4.431 2.134 ( -4.973 -0.550 0.000) 5.004 2.154 ( -4.323 0.496 0.000) 4.351 2.171 ( 2.152 -0.966 0.000) 2.359 2.196 ( 1.447 0.190 0.000) 1.459 2.328 ( 2.559 0.224 0.000) 2.568 2.446 ( 6.576 -0.733 0.000) 6.616 2.660 ( -4.062 5.829 0.000) 7.105 2.964 ( -4.566 -7.902 0.000) 9.126 3.417 ( 7.323 5.589 0.000) 9.212 3.648 ( 13.997 -2.334 0.000) 14.190 4.732 ( -0.432 -0.772 0.000) 0.885 4.804 ( -0.346 1.702 0.000) 1.737 5.079 ( -0.900 0.107 0.000) 0.907 5.188 ( 4.122 0.855 0.000) 4.210 5.247 ( 3.527 -1.093 0.000) 3.692 5.303 ( -1.430 0.396 0.000) 1.483 5.383 ( 2.980 -0.460 0.000) 3.015 5.444 ( 5.496 -2.667 0.000) 6.109 5.590 ( -2.332 0.960 0.000) 2.522 5.703 ( -0.422 0.172 0.000) 0.455 5.777 ( 0.675 -1.100 0.000) 1.291 5.862 ( 3.272 5.429 0.000) 6.338 6.077 ( -3.246 0.852 0.000) 3.356 6.249 ( -0.191 -7.992 0.000) 7.994 6.479 ( 0.670 4.062 0.000) 4.117 6.542 ( 2.141 -0.277 0.000) 2.159 7.072 ( -1.953 -0.243 0.000) 1.968 7.705 ( 1.713 0.411 0.000) 1.762 7.954 ( 3.031 -0.160 0.000) 3.035 8.441 ( -1.732 0.196 0.000) 1.744 8.954 ( -0.291 -0.523 0.000) 0.598 9.458 ( -0.485 0.279 0.000) 0.559 10.276 ( -0.680 -0.066 0.000) 0.683 10.327 ( -0.515 0.071 0.000) 0.520 ======================= Grid point 19 (14/84) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 0.000 -1.406 0.000) 1.406 1.115 ( 0.000 1.755 0.000) 1.755 1.115 ( 0.000 0.947 0.000) 0.947 1.177 ( 0.000 -0.869 0.000) 0.869 1.252 ( 0.000 0.540 0.000) 0.540 1.294 ( 0.000 0.679 0.000) 0.679 1.516 ( 0.000 -4.099 0.000) 4.099 1.590 ( 0.000 -0.080 0.000) 0.080 1.628 ( 0.000 0.502 0.000) 0.502 1.671 ( 0.000 0.128 0.000) 0.128 1.676 ( 0.000 -0.798 0.000) 0.798 1.755 ( 0.000 -0.422 0.000) 0.422 1.833 ( 0.000 1.972 0.000) 1.972 1.920 ( 0.000 -1.619 0.000) 1.619 2.066 ( 0.000 1.863 0.000) 1.863 2.115 ( 0.000 2.970 0.000) 2.970 2.208 ( 0.000 -1.031 0.000) 1.031 2.212 ( 0.000 -0.683 0.000) 0.683 2.358 ( 0.000 0.112 0.000) 0.112 2.529 ( 0.000 -1.047 0.000) 1.047 2.612 ( 0.000 4.804 0.000) 4.804 2.902 ( 0.000 -8.785 0.000) 8.785 3.489 ( 0.000 7.678 0.000) 7.678 3.792 ( 0.000 -3.445 0.000) 3.445 4.727 ( 0.000 -0.898 0.000) 0.898 4.800 ( 0.000 1.902 0.000) 1.902 5.070 ( 0.000 0.306 0.000) 0.306 5.231 ( 0.000 0.759 0.000) 0.759 5.279 ( 0.000 -0.295 0.000) 0.295 5.284 ( 0.000 -0.878 0.000) 0.878 5.418 ( 0.000 0.072 0.000) 0.072 5.508 ( 0.000 -3.226 0.000) 3.226 5.563 ( 0.000 0.721 0.000) 0.721 5.695 ( 0.000 1.060 0.000) 1.060 5.780 ( 0.000 -1.654 0.000) 1.654 5.907 ( 0.000 6.265 0.000) 6.265 6.035 ( 0.000 -0.004 0.000) 0.004 6.237 ( 0.000 -7.495 0.000) 7.495 6.494 ( 0.000 3.632 0.000) 3.632 6.566 ( 0.000 -0.113 0.000) 0.113 7.052 ( 0.000 -0.190 0.000) 0.190 7.718 ( 0.000 0.001 0.000) 0.001 7.983 ( 0.000 0.227 0.000) 0.227 8.423 ( 0.000 0.172 0.000) 0.172 8.951 ( 0.000 -0.561 0.000) 0.561 9.453 ( 0.000 0.279 0.000) 0.279 10.269 ( 0.000 -0.074 0.000) 0.074 10.321 ( 0.000 0.075 0.000) 0.075 ======================= Grid point 26 (15/84) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 0.000 -0.000 0.000) 0.000 0.561 ( 0.000 0.000 0.000) 0.000 0.634 ( 0.000 0.000 0.000) 0.000 0.697 ( 0.000 -0.000 0.000) 0.000 0.899 ( 0.000 0.000 0.000) 0.000 0.933 ( 0.000 -0.000 0.000) 0.000 0.992 ( 0.000 -0.000 0.000) 0.000 1.049 ( 0.000 0.000 0.000) 0.000 1.174 ( 0.000 0.000 0.000) 0.000 1.347 ( 0.000 0.000 0.000) 0.000 1.463 ( 0.000 0.000 0.000) 0.000 1.473 ( 0.000 0.000 0.000) 0.000 1.610 ( 0.000 0.000 0.000) 0.000 1.640 ( 0.000 0.000 0.000) 0.000 1.816 ( 0.000 0.000 0.000) 0.000 1.816 ( 0.000 -0.000 0.000) 0.000 2.000 ( 0.000 0.000 0.000) 0.000 2.160 ( 0.000 0.000 0.000) 0.000 2.233 ( 0.000 0.000 0.000) 0.000 2.450 ( 0.000 0.000 0.000) 0.000 2.842 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 -0.000 0.000) 0.000 3.058 ( 0.000 0.000 0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 4.436 ( 0.000 -0.000 0.000) 0.000 4.439 ( 0.000 0.000 0.000) 0.000 4.662 ( 0.000 0.000 0.000) 0.000 4.735 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 4.925 ( 0.000 0.000 0.000) 0.000 5.039 ( 0.000 0.000 0.000) 0.000 5.157 ( 0.000 0.000 0.000) 0.000 5.186 ( 0.000 0.000 0.000) 0.000 5.727 ( 0.000 0.000 0.000) 0.000 5.893 ( 0.000 0.000 0.000) 0.000 5.945 ( 0.000 0.000 0.000) 0.000 6.114 ( 0.000 0.000 0.000) 0.000 6.171 ( 0.000 0.000 0.000) 0.000 6.215 ( 0.000 0.000 0.000) 0.000 6.353 ( 0.000 0.000 0.000) 0.000 6.447 ( 0.000 0.000 0.000) 0.000 7.187 ( 0.000 0.000 0.000) 0.000 7.458 ( 0.000 0.000 0.000) 0.000 8.791 ( 0.000 0.000 0.000) 0.000 9.006 ( 0.000 0.000 0.000) 0.000 9.538 ( 0.000 0.000 0.000) 0.000 10.394 ( 0.000 0.000 0.000) 0.000 10.584 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 28 (16/84) ======================= q-point: ( 0.08 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 4.416 0.000 0.000) 4.416 0.627 ( 6.993 -0.000 0.000) 6.993 0.699 ( 6.565 0.000 0.000) 6.565 0.758 ( 5.553 -0.000 0.000) 5.553 0.982 ( 7.279 0.000 0.000) 7.279 1.002 ( 6.397 0.000 0.000) 6.397 1.056 ( 5.740 0.000 0.000) 5.740 1.117 ( 3.078 0.000 0.000) 3.078 1.279 ( 7.212 0.000 0.000) 7.212 1.384 ( 5.329 0.000 0.000) 5.329 1.434 ( -1.747 0.000 0.000) 1.747 1.540 ( 8.253 0.000 0.000) 8.253 1.610 ( -0.119 0.000 0.000) 0.119 1.722 ( 3.844 0.000 0.000) 3.844 1.851 ( 3.986 0.000 0.000) 3.986 1.880 ( 10.928 0.000 0.000) 10.928 2.008 ( 1.764 0.000 0.000) 1.764 2.156 ( 0.135 0.000 0.000) 0.135 2.250 ( 1.639 0.000 0.000) 1.639 2.455 ( -0.030 0.000 0.000) 0.030 2.809 ( -2.800 0.000 0.000) 2.800 2.838 ( -0.506 -0.000 0.000) 0.506 3.010 ( -4.241 0.000 0.000) 4.241 3.052 ( -5.249 0.000 0.000) 5.249 4.523 ( 7.406 -0.000 0.000) 7.406 4.553 ( 8.809 0.000 0.000) 8.809 4.729 ( 6.495 -0.000 0.000) 6.495 4.738 ( 0.637 0.000 0.000) 0.637 4.889 ( 0.392 0.000 0.000) 0.392 5.032 ( 3.365 0.000 0.000) 3.365 5.057 ( 6.924 0.000 0.000) 6.924 5.120 ( 0.105 0.000 0.000) 0.105 5.267 ( 3.734 0.000 0.000) 3.734 5.761 ( 1.625 0.000 0.000) 1.625 5.887 ( -1.235 0.000 0.000) 1.235 5.913 ( 0.989 0.000 0.000) 0.989 6.056 ( -2.744 0.000 0.000) 2.744 6.218 ( 3.786 0.000 0.000) 3.786 6.367 ( 1.693 0.000 0.000) 1.693 6.449 ( 8.410 0.000 0.000) 8.410 6.671 ( 22.530 0.000 0.000) 22.530 7.169 ( 0.096 0.000 0.000) 0.096 7.454 ( -0.096 0.000 0.000) 0.096 8.742 ( -4.157 0.000 0.000) 4.157 8.999 ( -0.644 0.000 0.000) 0.644 9.531 ( -0.686 0.000 0.000) 0.686 10.377 ( -1.443 0.000 0.000) 1.443 10.519 ( -5.178 0.000 0.000) 5.178 ======================= Grid point 30 (17/84) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 6.482 0.000 0.000) 6.482 0.767 ( 7.224 0.000 0.000) 7.224 0.849 ( 7.582 0.000 0.000) 7.582 0.884 ( 6.828 0.000 0.000) 6.828 1.120 ( 3.075 -0.000 0.000) 3.075 1.147 ( 5.707 -0.000 0.000) 5.707 1.170 ( 7.696 0.000 0.000) 7.696 1.198 ( 6.712 0.000 0.000) 6.712 1.349 ( 2.180 0.000 0.000) 2.180 1.421 ( 0.647 0.000 0.000) 0.647 1.509 ( 5.633 0.000 0.000) 5.633 1.608 ( 0.258 0.000 0.000) 0.258 1.748 ( 9.481 -0.000 0.000) 9.481 1.804 ( 5.583 0.000 0.000) 5.583 1.945 ( 3.402 0.000 0.000) 3.402 2.098 ( 3.360 -0.000 0.000) 3.360 2.136 ( 8.322 0.000 0.000) 8.322 2.266 ( 12.572 -0.000 0.000) 12.572 2.339 ( 11.581 0.000 0.000) 11.581 2.452 ( 2.523 0.000 0.000) 2.523 2.735 ( -5.219 0.000 0.000) 5.219 2.783 ( -6.227 0.000 0.000) 6.227 2.931 ( -2.529 0.000 0.000) 2.529 2.975 ( -0.862 0.000 0.000) 0.862 4.697 ( 9.751 -0.000 0.000) 9.751 4.697 ( 4.850 0.000 0.000) 4.850 4.764 ( 1.934 0.000 0.000) 1.934 4.876 ( 6.848 0.000 0.000) 6.848 4.931 ( 4.398 0.000 0.000) 4.398 5.066 ( 2.577 0.000 0.000) 2.577 5.184 ( 5.769 0.000 0.000) 5.769 5.246 ( 9.033 0.000 0.000) 9.033 5.314 ( 2.310 0.000 0.000) 2.310 5.773 ( -0.192 0.000 0.000) 0.192 5.891 ( 0.141 0.000 0.000) 0.141 5.898 ( -2.483 0.000 0.000) 2.483 6.017 ( -2.067 0.000 0.000) 2.067 6.286 ( 4.338 0.000 0.000) 4.338 6.412 ( 3.648 0.000 0.000) 3.648 6.518 ( -2.703 0.000 0.000) 2.703 7.046 ( 12.065 0.000 0.000) 12.065 7.272 ( 10.214 0.000 0.000) 10.214 7.490 ( 5.186 0.000 0.000) 5.186 8.652 ( -4.629 0.000 0.000) 4.629 8.984 ( -0.820 0.000 0.000) 0.820 9.513 ( -1.014 0.000 0.000) 1.014 10.347 ( -1.467 0.000 0.000) 1.467 10.426 ( -3.734 0.000 0.000) 3.734 ======================= Grid point 32 (18/84) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 8.082 0.000 0.000) 8.082 0.905 ( 6.281 0.000 0.000) 6.281 0.982 ( 5.980 0.000 0.000) 5.980 1.013 ( 5.920 0.000 0.000) 5.920 1.149 ( 0.706 0.000 0.000) 0.706 1.188 ( 0.231 -0.000 0.000) 0.231 1.342 ( 7.011 -0.000 0.000) 7.011 1.352 ( 8.952 0.000 0.000) 8.952 1.392 ( 2.332 0.000 0.000) 2.332 1.456 ( 2.617 0.000 0.000) 2.617 1.597 ( 3.279 0.000 0.000) 3.279 1.627 ( 1.652 0.000 0.000) 1.652 1.925 ( 6.637 -2.360 0.000) 7.044 1.925 ( 7.463 2.360 0.000) 7.828 2.004 ( 3.402 0.000 0.000) 3.402 2.135 ( 2.270 -0.000 0.000) 2.270 2.189 ( -0.203 0.000 0.000) 0.203 2.304 ( -3.275 -0.000 0.000) 3.275 2.515 ( -6.559 0.000 0.000) 6.559 2.532 ( -8.606 0.000 0.000) 8.606 2.788 ( 15.196 -0.000 0.000) 15.196 2.821 ( 17.960 0.000 0.000) 17.960 2.932 ( 5.216 0.000 0.000) 5.216 2.984 ( 0.539 0.000 0.000) 0.539 4.743 ( 0.400 0.000 0.000) 0.400 4.799 ( 1.609 0.000 0.000) 1.609 4.899 ( 9.972 0.000 0.000) 9.972 5.005 ( 6.697 0.000 0.000) 6.697 5.038 ( 5.179 0.000 0.000) 5.179 5.145 ( 5.419 0.000 0.000) 5.419 5.244 ( 0.816 0.000 0.000) 0.816 5.375 ( 3.310 0.000 0.000) 3.310 5.456 ( 10.913 0.000 0.000) 10.913 5.753 ( -2.392 0.000 0.000) 2.392 5.817 ( -4.410 0.000 0.000) 4.410 5.873 ( -1.531 0.000 0.000) 1.531 6.011 ( 2.083 0.000 0.000) 2.083 6.373 ( 0.219 0.000 0.000) 0.219 6.410 ( -2.974 0.000 0.000) 2.974 6.482 ( 2.710 0.000 0.000) 2.710 7.145 ( 0.129 0.000 0.000) 0.129 7.494 ( 10.433 0.000 0.000) 10.433 7.661 ( 10.301 0.000 0.000) 10.301 8.565 ( -4.127 0.000 0.000) 4.127 8.969 ( -0.670 0.000 0.000) 0.670 9.493 ( -1.016 0.000 0.000) 1.016 10.319 ( -1.367 0.000 0.000) 1.367 10.371 ( -1.948 0.000 0.000) 1.948 ======================= Grid point 34 (19/84) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 2.634 0.000 0.000) 2.634 1.022 ( 6.359 0.000 0.000) 6.359 1.098 ( 5.550 0.000 0.000) 5.550 1.118 ( 5.021 0.000 0.000) 5.021 1.160 ( 0.759 0.000 0.000) 0.759 1.180 ( -0.427 0.000 0.000) 0.427 1.423 ( 1.872 0.000 0.000) 1.872 1.488 ( 6.519 0.000 0.000) 6.519 1.489 ( 3.902 0.000 0.000) 3.902 1.534 ( 5.846 0.000 0.000) 5.846 1.646 ( 1.800 0.000 0.000) 1.800 1.666 ( 2.039 0.000 0.000) 2.039 1.981 ( -0.178 0.000 0.000) 0.178 2.028 ( 1.665 0.000 0.000) 1.665 2.106 ( 4.879 0.000 0.000) 4.879 2.169 ( -0.888 -0.000 0.000) 0.888 2.178 ( -0.065 -0.000 0.000) 0.065 2.278 ( -1.493 0.000 0.000) 1.493 2.338 ( -4.242 0.000 0.000) 4.242 2.354 ( -6.225 -0.000 0.000) 6.225 2.841 ( -2.934 -0.000 0.000) 2.934 2.944 ( -3.445 0.000 0.000) 3.445 3.207 ( 17.313 0.000 0.000) 17.313 3.282 ( 20.329 0.000 0.000) 20.329 4.737 ( -0.612 0.000 0.000) 0.612 4.819 ( 0.501 0.000 0.000) 0.501 5.080 ( 7.983 -0.000 0.000) 7.983 5.091 ( 0.222 0.000 0.000) 0.222 5.135 ( 5.995 0.000 0.000) 5.995 5.269 ( 6.493 0.000 0.000) 6.493 5.295 ( 4.567 0.000 0.000) 4.567 5.378 ( -2.041 0.000 0.000) 2.041 5.649 ( 6.876 0.000 0.000) 6.876 5.668 ( -4.502 -0.000 0.000) 4.502 5.776 ( -0.833 0.000 0.000) 0.833 5.860 ( 1.172 0.000 0.000) 1.172 6.078 ( 3.787 0.000 0.000) 3.787 6.243 ( -7.129 0.000 0.000) 7.129 6.472 ( 3.433 0.000 0.000) 3.433 6.512 ( 0.611 0.000 0.000) 0.611 7.115 ( -2.376 0.000 0.000) 2.376 7.651 ( 5.205 0.000 0.000) 5.205 7.843 ( 7.535 0.000 0.000) 7.535 8.492 ( -3.160 0.000 0.000) 3.160 8.957 ( -0.509 0.000 0.000) 0.509 9.474 ( -0.827 0.000 0.000) 0.827 10.294 ( -1.157 0.000 0.000) 1.157 10.343 ( -1.055 0.000 0.000) 1.055 ======================= Grid point 36 (20/84) ======================= q-point: ( 0.42 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.695 0.000 0.000) 0.695 1.104 ( 2.185 0.000 0.000) 2.185 1.150 ( 0.399 0.000 0.000) 0.399 1.155 ( -0.476 -0.000 0.000) 0.476 1.217 ( 3.844 0.000 0.000) 3.844 1.242 ( 5.208 0.000 0.000) 5.208 1.455 ( 1.495 0.000 0.000) 1.495 1.553 ( 3.012 0.000 0.000) 3.012 1.604 ( 4.899 0.000 0.000) 4.899 1.621 ( 1.953 -0.000 0.000) 1.953 1.670 ( 0.719 0.000 0.000) 0.719 1.710 ( 2.650 0.000 0.000) 2.650 1.928 ( -4.754 0.000 0.000) 4.754 1.976 ( -5.832 0.000 0.000) 5.832 2.127 ( -3.033 0.000 0.000) 3.033 2.158 ( 2.569 -0.000 0.000) 2.569 2.165 ( -2.580 0.000 0.000) 2.580 2.197 ( 0.468 0.000 0.000) 0.468 2.331 ( 2.212 0.000 0.000) 2.212 2.437 ( 6.492 0.000 0.000) 6.492 2.759 ( -4.533 -0.000 0.000) 4.533 2.846 ( -5.703 0.000 0.000) 5.703 3.483 ( 9.998 0.000 0.000) 9.998 3.613 ( 12.278 -0.000 0.000) 12.278 4.725 ( -0.554 0.000 0.000) 0.554 4.822 ( -0.121 0.000 0.000) 0.121 5.080 ( -0.656 0.000 0.000) 0.656 5.203 ( 4.275 -0.000 0.000) 4.275 5.231 ( 3.529 0.000 0.000) 3.529 5.303 ( -2.414 0.000 0.000) 2.414 5.385 ( 3.666 0.000 0.000) 3.666 5.412 ( 5.074 0.000 0.000) 5.074 5.600 ( -2.485 0.000 0.000) 2.485 5.709 ( 0.538 -0.000 0.000) 0.538 5.762 ( -0.541 0.000 0.000) 0.541 5.927 ( 4.397 0.000 0.000) 4.397 6.117 ( -5.613 0.000 0.000) 5.613 6.131 ( 1.259 -0.000 0.000) 1.259 6.522 ( 0.536 -0.000 0.000) 0.536 6.533 ( 2.675 0.000 0.000) 2.675 7.069 ( -1.881 0.000 0.000) 1.881 7.709 ( 1.206 0.000 0.000) 1.206 7.952 ( 3.510 0.000 0.000) 3.510 8.443 ( -1.760 0.000 0.000) 1.760 8.948 ( -0.334 0.000 0.000) 0.334 9.461 ( -0.483 0.000 0.000) 0.483 10.275 ( -0.687 0.000 0.000) 0.687 10.327 ( -0.516 0.000 0.000) 0.516 ======================= Grid point 38 (21/84) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.000 0.000 0.000) 0.000 1.123 ( 0.000 0.000 0.000) 0.000 1.150 ( 0.000 0.000 0.000) 0.000 1.153 ( 0.000 -0.000 0.000) 0.000 1.258 ( 0.000 0.000 0.000) 0.000 1.301 ( 0.000 0.000 0.000) 0.000 1.474 ( 0.000 0.000 0.000) 0.000 1.590 ( 0.000 0.000 0.000) 0.000 1.631 ( 0.000 0.000 0.000) 0.000 1.655 ( 0.000 0.000 0.000) 0.000 1.682 ( 0.000 0.000 0.000) 0.000 1.750 ( 0.000 0.000 0.000) 0.000 1.856 ( 0.000 -0.000 0.000) 0.000 1.898 ( 0.000 0.000 0.000) 0.000 2.093 ( 0.000 -0.000 0.000) 0.000 2.151 ( 0.000 -0.000 0.000) 0.000 2.191 ( 0.000 0.000 0.000) 0.000 2.201 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 0.000 0.000) 0.000 2.517 ( 0.000 0.000 0.000) 0.000 2.704 ( 0.000 -0.000 0.000) 0.000 2.771 ( 0.000 0.000 0.000) 0.000 3.584 ( 0.000 0.000 0.000) 0.000 3.739 ( 0.000 -0.000 0.000) 0.000 4.719 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 5.074 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 -0.000 0.000) 0.000 5.267 ( 0.000 0.000 0.000) 0.000 5.275 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 5.472 ( 0.000 0.000 0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.711 ( 0.000 -0.000 0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 5.996 ( 0.000 0.000 0.000) 0.000 6.035 ( 0.000 0.000 0.000) 0.000 6.139 ( 0.000 -0.000 0.000) 0.000 6.529 ( 0.000 -0.000 0.000) 0.000 6.564 ( 0.000 0.000 0.000) 0.000 7.050 ( 0.000 0.000 0.000) 0.000 7.718 ( 0.000 0.000 0.000) 0.000 7.986 ( 0.000 0.000 0.000) 0.000 8.425 ( 0.000 0.000 0.000) 0.000 8.945 ( 0.000 0.000 0.000) 0.000 9.456 ( 0.000 0.000 0.000) 0.000 10.268 ( 0.000 0.000 0.000) 0.000 10.322 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 65 (22/84) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 0.000 0.000 15.314) 15.314 0.381 ( 0.000 0.000 18.774) 18.774 0.602 ( 0.000 0.000 28.364) 28.364 0.762 ( 0.000 0.000 0.325) 0.325 0.794 ( 0.000 0.000 1.757) 1.757 1.047 ( 0.000 0.000 2.117) 2.117 1.091 ( 0.000 0.000 0.244) 0.244 1.188 ( 0.000 0.000 4.805) 4.805 1.226 ( 0.000 0.000 -4.767) 4.767 1.378 ( 0.000 0.000 -1.556) 1.556 1.447 ( 0.000 0.000 0.544) 0.544 1.513 ( 0.000 0.000 0.387) 0.387 1.542 ( 0.000 0.000 0.279) 0.279 1.724 ( 0.000 0.000 1.667) 1.667 1.840 ( 0.000 0.000 1.782) 1.782 1.892 ( 0.000 0.000 -6.928) 6.928 2.019 ( 0.000 0.000 -7.264) 7.264 2.037 ( 0.000 0.000 -6.476) 6.476 2.317 ( 0.000 0.000 -6.284) 6.284 2.474 ( 0.000 0.000 -4.612) 4.612 2.492 ( 0.000 0.000 11.913) 11.913 2.932 ( 0.000 0.000 1.543) 1.543 3.072 ( 0.000 0.000 1.174) 1.174 3.173 ( 0.000 0.000 -2.290) 2.290 4.374 ( 0.000 0.000 2.301) 2.301 4.556 ( 0.000 0.000 -1.139) 1.139 4.602 ( 0.000 0.000 -2.956) 2.956 4.885 ( 0.000 0.000 1.696) 1.696 4.903 ( 0.000 0.000 -4.209) 4.209 4.913 ( 0.000 0.000 3.143) 3.143 5.006 ( 0.000 0.000 4.834) 4.834 5.078 ( 0.000 0.000 -0.622) 0.622 5.220 ( 0.000 0.000 1.859) 1.859 5.377 ( 0.000 0.000 -1.625) 1.625 5.834 ( 0.000 0.000 -8.902) 8.902 5.886 ( 0.000 0.000 -7.702) 7.702 6.137 ( 0.000 0.000 1.203) 1.203 6.169 ( 0.000 0.000 0.710) 0.710 6.288 ( 0.000 0.000 0.928) 0.928 6.331 ( 0.000 0.000 -2.675) 2.675 6.588 ( 0.000 0.000 2.566) 2.566 6.847 ( 0.000 0.000 -4.012) 4.012 7.871 ( 0.000 0.000 7.095) 7.095 8.667 ( 0.000 0.000 -3.982) 3.982 9.046 ( 0.000 0.000 3.893) 3.893 9.537 ( 0.000 0.000 -0.391) 0.391 10.416 ( 0.000 0.000 -0.131) 0.131 10.634 ( 0.000 0.000 -1.762) 1.762 ======================= Grid point 66 (23/84) ======================= q-point: ( 0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 9.793 0.000 12.193) 15.638 0.493 ( 9.853 0.000 13.440) 16.665 0.813 ( 16.000 0.000 11.330) 19.605 0.870 ( 8.610 0.000 0.538) 8.627 0.905 ( 7.173 0.000 3.480) 7.973 1.074 ( 3.082 0.000 2.521) 3.981 1.104 ( 1.248 0.000 0.096) 1.252 1.232 ( 0.970 0.000 -4.623) 4.723 1.319 ( 9.504 0.000 1.411) 9.608 1.410 ( 5.053 0.000 0.508) 5.079 1.444 ( -0.202 0.000 0.374) 0.425 1.529 ( -0.889 0.000 0.517) 1.028 1.541 ( 5.069 0.000 3.106) 5.945 1.740 ( 2.214 0.000 -2.057) 3.022 1.843 ( 0.706 0.000 0.518) 0.875 1.884 ( 1.855 0.000 -0.479) 1.916 2.004 ( -2.573 0.000 -4.169) 4.899 2.064 ( 4.704 0.000 -8.359) 9.592 2.378 ( 4.972 0.000 -6.130) 7.893 2.529 ( 4.919 0.000 -5.033) 7.037 2.529 ( 4.855 0.000 10.768) 11.812 2.897 ( -3.258 0.000 3.588) 4.847 3.021 ( -4.510 0.000 0.231) 4.516 3.071 ( -7.643 0.000 -0.041) 7.643 4.488 ( 10.079 0.000 2.377) 10.356 4.617 ( 5.027 0.000 -0.707) 5.077 4.678 ( 6.679 0.000 -1.149) 6.777 4.764 ( 0.033 0.000 2.442) 2.443 4.898 ( 0.662 0.000 1.539) 1.676 5.065 ( 2.488 0.000 0.813) 2.618 5.116 ( 0.830 0.000 -1.081) 1.362 5.137 ( 7.467 0.000 2.779) 7.967 5.202 ( 2.539 0.000 -1.640) 3.023 5.600 ( 10.719 0.000 -9.750) 14.490 5.855 ( -1.852 0.000 -6.226) 6.496 5.867 ( 2.793 0.000 -6.947) 7.487 6.148 ( -3.152 0.000 -0.079) 3.153 6.162 ( 3.022 0.000 5.047) 5.883 6.368 ( -0.540 0.000 -4.164) 4.199 6.399 ( 12.004 0.000 0.806) 12.031 6.824 ( -0.746 0.000 -3.842) 3.913 6.896 ( 20.842 0.000 -17.842) 27.436 7.778 ( -6.494 0.000 9.996) 11.920 8.646 ( -2.115 0.000 -3.899) 4.436 9.039 ( -0.666 0.000 3.815) 3.872 9.527 ( -0.940 0.000 -0.568) 1.099 10.406 ( -0.911 0.000 -0.057) 0.912 10.502 ( -7.486 0.000 4.966) 8.984 ======================= Grid point 67 (24/84) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 10.878 0.000 5.230) 12.070 0.712 ( 11.289 0.000 7.061) 13.316 0.976 ( 2.450 0.000 2.120) 3.240 1.014 ( 5.075 0.000 0.640) 5.116 1.069 ( 6.516 0.000 3.764) 7.525 1.131 ( 1.155 0.000 -0.276) 1.187 1.181 ( 8.298 0.000 2.886) 8.785 1.286 ( 4.622 0.000 -3.656) 5.893 1.438 ( 4.974 0.000 -1.947) 5.341 1.444 ( 0.305 0.000 0.847) 0.900 1.503 ( 3.301 0.000 0.199) 3.307 1.525 ( 0.837 0.000 0.204) 0.862 1.704 ( 5.944 0.000 1.582) 6.151 1.843 ( 4.550 0.000 -3.427) 5.696 1.884 ( 3.621 0.000 -2.306) 4.293 1.965 ( -0.883 0.000 -0.533) 1.031 2.072 ( 15.884 0.000 5.623) 16.850 2.199 ( 13.424 0.000 -6.258) 14.811 2.458 ( 1.819 0.000 -7.663) 7.876 2.611 ( 1.124 0.000 -1.377) 1.778 2.696 ( 10.757 0.000 6.904) 12.781 2.813 ( -4.904 0.000 5.347) 7.255 2.894 ( -9.363 0.000 -0.496) 9.376 2.955 ( 0.136 0.000 -0.781) 0.792 4.698 ( 2.370 0.000 0.606) 2.446 4.710 ( 11.013 0.000 2.036) 11.199 4.795 ( 4.081 0.000 1.586) 4.378 4.843 ( 7.537 0.000 1.091) 7.616 4.963 ( 5.289 0.000 0.916) 5.368 5.109 ( 0.276 0.000 0.032) 0.278 5.153 ( 7.867 0.000 -1.717) 8.052 5.240 ( 0.644 0.000 -0.743) 0.983 5.308 ( 8.318 0.000 2.515) 8.690 5.728 ( 3.479 0.000 -3.924) 5.244 5.835 ( -0.237 0.000 -4.217) 4.224 5.904 ( 0.387 0.000 -1.959) 1.996 6.037 ( -6.445 0.000 -0.415) 6.459 6.276 ( 5.973 0.000 -0.506) 5.995 6.360 ( 1.667 0.000 -4.661) 4.950 6.513 ( -3.666 0.000 -1.265) 3.878 6.985 ( 17.910 0.000 -2.085) 18.031 7.183 ( 7.942 0.000 -8.727) 11.800 7.695 ( -0.786 0.000 5.420) 5.477 8.590 ( -3.354 0.000 -3.686) 4.984 9.024 ( -0.765 0.000 3.637) 3.716 9.504 ( -1.346 0.000 -0.929) 1.636 10.384 ( -1.284 0.000 -0.004) 1.284 10.397 ( -3.685 0.000 3.231) 4.901 ======================= Grid point 68 (25/84) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 8.633 0.000 1.688) 8.796 0.911 ( 8.367 0.000 2.647) 8.776 1.011 ( 1.715 0.000 0.326) 1.746 1.086 ( 2.741 0.000 0.208) 2.749 1.143 ( 2.355 0.000 2.491) 3.428 1.149 ( 0.867 0.000 -0.386) 0.949 1.345 ( 7.190 0.000 1.469) 7.338 1.381 ( 4.256 0.000 -1.898) 4.660 1.461 ( 1.660 0.000 1.598) 2.304 1.524 ( 3.316 0.000 -1.110) 3.497 1.564 ( 2.838 0.000 -0.077) 2.839 1.570 ( 3.475 0.000 -0.184) 3.480 1.821 ( 5.969 0.000 -1.315) 6.112 1.921 ( 4.881 0.000 -1.970) 5.263 1.950 ( 1.688 0.000 -5.908) 6.144 2.007 ( 5.889 0.000 2.113) 6.256 2.211 ( 4.103 0.000 1.807) 4.483 2.420 ( -5.482 0.000 -10.212) 11.591 2.531 ( -7.368 0.000 8.273) 11.079 2.622 ( -7.247 0.000 0.790) 7.290 2.717 ( 23.406 0.000 -1.479) 23.453 2.756 ( -0.894 0.000 3.348) 3.465 2.985 ( 13.249 0.000 2.891) 13.560 3.024 ( 4.767 0.000 -0.720) 4.821 4.727 ( 0.872 0.000 0.223) 0.901 4.810 ( -0.073 0.000 -0.361) 0.369 4.929 ( 9.064 0.000 2.384) 9.373 5.012 ( 8.398 0.000 1.455) 8.523 5.093 ( 7.773 0.000 2.918) 8.303 5.133 ( 1.680 0.000 -0.736) 1.834 5.250 ( 1.452 0.000 0.517) 1.541 5.344 ( 8.584 0.000 -2.598) 8.969 5.434 ( 5.394 0.000 1.150) 5.515 5.762 ( 0.384 0.000 -0.520) 0.647 5.789 ( -5.741 0.000 -0.781) 5.794 5.882 ( -2.285 0.000 0.233) 2.297 5.996 ( 3.908 0.000 -1.839) 4.319 6.344 ( 2.849 0.000 -5.043) 5.792 6.380 ( -7.462 0.000 -1.345) 7.582 6.445 ( 3.820 0.000 -4.471) 5.881 7.237 ( -1.053 0.000 3.194) 3.363 7.349 ( 16.127 0.000 -1.608) 16.207 7.752 ( 5.461 0.000 -0.489) 5.483 8.520 ( -3.496 0.000 -3.378) 4.862 9.011 ( -0.542 0.000 3.518) 3.560 9.478 ( -1.241 0.000 -1.209) 1.733 10.340 ( -2.303 0.000 1.495) 2.746 10.358 ( -1.261 0.000 -0.155) 1.270 ======================= Grid point 69 (26/84) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 2.807 0.000 2.683) 3.883 1.037 ( 4.403 0.000 0.265) 4.411 1.066 ( 3.346 0.000 -2.419) 4.129 1.129 ( 1.506 0.000 -1.352) 2.024 1.172 ( 1.749 0.000 0.339) 1.782 1.190 ( 2.871 0.000 1.517) 3.247 1.462 ( 4.420 0.000 -0.423) 4.440 1.463 ( 5.013 0.000 -0.765) 5.071 1.506 ( 2.515 0.000 0.824) 2.646 1.568 ( 1.363 0.000 0.531) 1.463 1.618 ( 2.036 0.000 0.274) 2.055 1.640 ( 3.449 0.000 -1.470) 3.749 1.904 ( 2.568 0.000 -2.504) 3.587 1.975 ( 0.244 0.000 -4.817) 4.824 2.058 ( 7.862 0.000 0.315) 7.869 2.129 ( 4.877 0.000 -0.405) 4.894 2.267 ( -8.187 0.000 -4.173) 9.189 2.286 ( 2.960 0.000 3.005) 4.218 2.386 ( -11.305 0.000 -0.535) 11.317 2.427 ( -1.654 0.000 6.273) 6.487 2.729 ( -2.384 0.000 4.907) 5.455 3.088 ( 1.082 0.000 0.180) 1.097 3.166 ( 13.267 0.000 -1.694) 13.375 3.282 ( 20.023 0.000 0.204) 20.024 4.736 ( 0.116 0.000 -0.483) 0.497 4.790 ( -1.472 0.000 -1.066) 1.818 5.091 ( 7.157 0.000 2.048) 7.445 5.100 ( -0.193 0.000 0.108) 0.221 5.198 ( 5.491 0.000 2.047) 5.860 5.241 ( 6.019 0.000 1.988) 6.338 5.329 ( 6.236 0.000 -0.391) 6.248 5.400 ( -0.092 0.000 0.519) 0.528 5.586 ( 6.310 0.000 -1.006) 6.390 5.681 ( -2.400 0.000 -0.213) 2.409 5.752 ( -1.344 0.000 0.265) 1.370 5.832 ( -2.250 0.000 0.408) 2.287 6.087 ( 1.680 0.000 -2.351) 2.889 6.288 ( 0.502 0.000 -0.030) 0.503 6.392 ( 0.577 0.000 -5.830) 5.858 6.481 ( 1.144 0.000 -3.019) 3.228 7.190 ( -2.990 0.000 5.938) 6.648 7.584 ( 7.674 0.000 -2.037) 7.939 7.863 ( 5.014 0.000 -1.214) 5.159 8.457 ( -2.826 0.000 -3.031) 4.144 9.002 ( -0.376 0.000 3.477) 3.497 9.456 ( -0.915 0.000 -1.335) 1.618 10.302 ( -1.554 0.000 0.594) 1.663 10.335 ( -1.041 0.000 -0.440) 1.130 ======================= Grid point 70 (27/84) ======================= q-point: ( 0.42 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 2.109 0.000 1.106) 2.381 1.093 ( 1.620 0.000 0.480) 1.690 1.100 ( 0.192 0.000 -0.371) 0.418 1.144 ( 0.210 0.000 -2.904) 2.911 1.221 ( 2.689 0.000 0.523) 2.740 1.252 ( 2.702 0.000 -0.132) 2.706 1.541 ( 2.071 0.000 -0.682) 2.181 1.549 ( 3.491 0.000 -2.438) 4.258 1.569 ( 4.442 0.000 -1.488) 4.685 1.587 ( 0.632 0.000 0.388) 0.742 1.640 ( 1.017 0.000 -0.162) 1.030 1.700 ( 2.754 0.000 -1.419) 3.098 1.911 ( -6.877 0.000 -2.464) 7.305 1.931 ( -0.068 0.000 -2.272) 2.273 2.133 ( -1.629 0.000 0.349) 1.666 2.163 ( -6.433 0.000 1.063) 6.520 2.190 ( 3.172 0.000 0.509) 3.212 2.216 ( 1.235 0.000 1.847) 2.222 2.367 ( 2.840 0.000 3.554) 4.549 2.470 ( 4.589 0.000 1.724) 4.902 2.666 ( -3.442 0.000 5.424) 6.424 3.068 ( -2.420 0.000 2.112) 3.212 3.323 ( 4.594 0.000 -2.807) 5.383 3.647 ( 14.122 0.000 -2.353) 14.317 4.734 ( -0.238 0.000 -0.980) 1.008 4.763 ( -1.090 0.000 -1.695) 2.015 5.081 ( -0.986 0.000 0.351) 1.047 5.206 ( 4.253 0.000 1.921) 4.667 5.289 ( -0.580 0.000 -0.533) 0.788 5.289 ( 3.240 0.000 2.918) 4.360 5.428 ( 2.657 0.000 3.934) 4.747 5.458 ( 5.815 0.000 -1.662) 6.048 5.576 ( -2.191 0.000 -0.045) 2.192 5.714 ( -2.200 0.000 -0.122) 2.203 5.765 ( 5.284 0.000 -1.770) 5.573 5.804 ( -0.668 0.000 0.517) 0.844 6.052 ( -2.864 0.000 -1.958) 3.469 6.345 ( -3.825 0.000 -4.487) 5.896 6.377 ( 5.321 0.000 0.143) 5.323 6.525 ( 2.478 0.000 -1.747) 3.032 7.136 ( -2.178 0.000 6.030) 6.411 7.671 ( 1.898 0.000 -2.709) 3.307 7.937 ( 2.392 0.000 -1.535) 2.842 8.412 ( -1.634 0.000 -2.810) 3.251 8.995 ( -0.253 0.000 3.459) 3.468 9.442 ( -0.499 0.000 -1.374) 1.462 10.278 ( -0.826 0.000 0.154) 0.841 10.318 ( -0.611 0.000 -0.690) 0.921 ======================= Grid point 71 (28/84) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.000 0.000 -1.507) 1.507 1.088 ( 0.000 0.000 2.242) 2.242 1.109 ( -0.000 0.000 1.061) 1.061 1.145 ( 0.000 0.000 -3.577) 3.577 1.253 ( -0.000 0.000 0.754) 0.754 1.280 ( 0.000 0.000 -0.529) 0.529 1.558 ( -0.000 0.000 -1.300) 1.300 1.587 ( 0.000 0.000 -2.573) 2.573 1.592 ( -0.000 0.000 0.040) 0.040 1.605 ( 0.000 0.000 -4.102) 4.102 1.702 ( -0.000 0.000 -0.171) 0.171 1.738 ( 0.000 0.000 -2.172) 2.172 1.787 ( 0.000 0.000 -1.092) 1.092 1.913 ( 0.000 0.000 -1.965) 1.965 2.090 ( 0.000 0.000 1.722) 1.722 2.123 ( 0.000 0.000 4.984) 4.984 2.230 ( 0.000 0.000 1.303) 1.303 2.232 ( 0.000 0.000 1.105) 1.105 2.399 ( 0.000 0.000 3.670) 3.670 2.531 ( 0.000 0.000 -0.775) 0.775 2.624 ( 0.000 0.000 5.342) 5.342 3.034 ( 0.000 0.000 3.561) 3.561 3.367 ( 0.000 0.000 -3.440) 3.440 3.793 ( -0.000 0.000 -3.256) 3.256 4.731 ( 0.000 0.000 -1.112) 1.112 4.752 ( 0.000 0.000 -1.995) 1.995 5.071 ( 0.000 0.000 0.455) 0.455 5.254 ( 0.000 0.000 2.553) 2.553 5.271 ( 0.000 0.000 -1.078) 1.078 5.321 ( 0.000 0.000 3.011) 3.011 5.459 ( 0.000 0.000 4.275) 4.275 5.524 ( 0.000 0.000 -2.170) 2.170 5.554 ( 0.000 0.000 -0.152) 0.152 5.686 ( 0.000 0.000 -0.464) 0.464 5.799 ( 0.000 0.000 0.704) 0.704 5.821 ( 0.000 0.000 -2.004) 2.004 6.019 ( 0.000 0.000 -1.653) 1.653 6.298 ( 0.000 0.000 -3.447) 3.447 6.435 ( 0.000 0.000 0.049) 0.049 6.553 ( 0.000 0.000 -1.355) 1.355 7.113 ( 0.000 0.000 5.900) 5.900 7.686 ( 0.000 0.000 -3.015) 3.015 7.960 ( 0.000 0.000 -1.775) 1.775 8.395 ( 0.000 0.000 -2.760) 2.760 8.993 ( 0.000 0.000 3.450) 3.450 9.437 ( 0.000 0.000 -1.383) 1.383 10.270 ( 0.000 0.000 0.020) 0.020 10.312 ( 0.000 0.000 -0.786) 0.786 ======================= Grid point 78 (29/84) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 0.000 7.482 11.248) 13.509 0.425 ( 0.000 9.719 9.858) 13.843 0.703 ( 0.000 -4.716 1.474) 4.941 0.824 ( 0.000 12.759 14.941) 19.648 0.848 ( 0.000 3.884 1.330) 4.105 0.913 ( 0.000 -8.064 2.894) 8.567 1.048 ( 0.000 -4.268 2.112) 4.762 1.198 ( 0.000 0.718 3.902) 3.967 1.248 ( 0.000 -0.758 -1.239) 1.453 1.354 ( 0.000 -1.823 -0.640) 1.932 1.453 ( 0.000 -0.871 -1.592) 1.815 1.500 ( 0.000 -0.918 2.274) 2.453 1.569 ( 0.000 1.699 -1.769) 2.453 1.670 ( 0.000 -4.207 -0.081) 4.208 1.762 ( 0.000 -1.874 -3.732) 4.176 1.891 ( 0.000 -6.509 -0.374) 6.520 2.035 ( 0.000 5.930 0.488) 5.950 2.111 ( 0.000 6.278 -5.276) 8.201 2.315 ( 0.000 -5.322 4.808) 7.173 2.446 ( 0.000 -2.914 -4.556) 5.409 2.535 ( 0.000 8.573 -4.064) 9.488 2.870 ( 0.000 -7.049 -4.378) 8.298 3.098 ( 0.000 3.038 4.527) 5.452 3.179 ( 0.000 -0.215 0.177) 0.279 4.392 ( 0.000 2.026 1.792) 2.705 4.507 ( 0.000 -3.757 -0.868) 3.855 4.635 ( 0.000 2.044 -1.729) 2.677 4.798 ( 0.000 -2.607 5.031) 5.666 4.875 ( 0.000 -2.075 -4.360) 4.829 4.923 ( 0.000 -1.158 1.679) 2.040 5.051 ( 0.000 3.805 3.994) 5.516 5.143 ( 0.000 3.085 -2.307) 3.852 5.202 ( 0.000 -1.901 1.831) 2.639 5.517 ( 0.000 10.061 -8.511) 13.178 5.808 ( 0.000 -1.626 -7.881) 8.047 5.868 ( 0.000 -2.275 -8.234) 8.542 6.132 ( 0.000 -0.416 1.245) 1.313 6.174 ( 0.000 0.373 0.681) 0.777 6.238 ( 0.000 -2.412 0.301) 2.431 6.373 ( 0.000 1.805 -0.699) 1.936 6.506 ( 0.000 -4.244 4.340) 6.070 6.990 ( 0.000 8.645 -9.768) 13.044 7.749 ( 0.000 -8.145 15.273) 17.309 8.700 ( 0.000 1.828 -6.255) 6.516 9.048 ( 0.000 0.166 4.033) 4.037 9.551 ( 0.000 0.792 0.155) 0.807 10.435 ( 0.000 1.833 0.585) 1.924 10.568 ( 0.000 -4.725 -0.507) 4.752 ======================= Grid point 79 (30/84) ======================= q-point: ( 0.08 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 11.169 5.587 8.225) 14.953 0.585 ( 9.270 6.795 8.804) 14.478 0.803 ( 7.634 -5.195 1.955) 9.439 0.881 ( 4.743 0.621 3.495) 5.924 0.923 ( 7.562 -0.976 3.767) 8.504 1.016 ( 7.936 1.779 3.973) 9.052 1.091 ( 2.807 -1.378 0.681) 3.201 1.247 ( 0.877 -0.953 -0.777) 1.510 1.324 ( 9.972 0.468 1.911) 10.165 1.370 ( 1.598 -2.947 0.720) 3.429 1.443 ( -1.185 -3.751 1.021) 4.064 1.502 ( 3.298 3.471 0.260) 4.795 1.583 ( 2.997 0.556 -0.631) 3.113 1.717 ( 3.413 0.554 -2.067) 4.029 1.796 ( 3.299 -2.515 -1.421) 4.385 1.938 ( 5.583 -3.888 0.190) 6.807 2.033 ( 1.431 5.879 -0.137) 6.052 2.098 ( -0.854 6.876 -5.597) 8.907 2.345 ( 3.402 -5.992 3.327) 7.652 2.460 ( 1.903 -4.821 -1.109) 5.301 2.593 ( 4.777 6.259 -4.933) 9.291 2.851 ( -1.472 -5.305 -2.218) 5.936 3.040 ( -5.107 2.743 3.799) 6.931 3.098 ( -6.856 1.213 1.000) 7.034 4.503 ( 9.552 1.585 1.906) 9.868 4.589 ( 6.657 -2.466 -0.735) 7.137 4.703 ( 5.562 2.111 -0.300) 5.957 4.773 ( 1.083 0.463 2.106) 2.413 4.903 ( 0.154 0.376 1.736) 1.783 5.029 ( 7.237 -5.012 -1.398) 8.914 5.073 ( 2.712 0.821 0.742) 2.929 5.143 ( 1.172 -0.555 1.459) 1.952 5.242 ( 3.077 2.300 -0.628) 3.892 5.643 ( 7.299 3.758 -8.348) 11.709 5.832 ( 1.604 -1.899 -5.585) 6.113 5.850 ( 0.108 -1.829 -7.416) 7.639 6.118 ( -2.281 -1.176 3.127) 4.045 6.199 ( 2.832 1.686 0.923) 3.423 6.348 ( 2.552 -1.215 -2.898) 4.048 6.427 ( 7.948 2.005 -0.222) 8.200 6.686 ( 14.354 -7.593 -4.796) 16.932 7.009 ( 4.445 5.502 -11.681) 13.656 7.702 ( -3.746 -5.672 13.911) 15.483 8.667 ( -2.888 1.497 -5.107) 6.055 9.040 ( -0.761 0.075 3.912) 3.986 9.537 ( -1.211 0.695 -0.064) 1.397 10.417 ( -1.570 1.051 1.032) 2.153 10.490 ( -5.389 -1.104 1.475) 5.695 ======================= Grid point 80 (31/84) ======================= q-point: ( 0.17 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 9.743 4.242 5.785) 12.099 0.750 ( 9.888 3.742 5.261) 11.809 0.927 ( 4.333 -4.273 2.018) 6.411 0.963 ( 4.459 -4.984 1.849) 6.938 1.095 ( 6.007 1.557 0.540) 6.229 1.119 ( 2.565 -0.570 -0.030) 2.628 1.196 ( 8.296 1.390 3.211) 9.004 1.283 ( 3.001 -0.969 -1.334) 3.424 1.400 ( 1.746 -3.565 1.548) 4.261 1.442 ( 1.496 -2.394 0.261) 2.835 1.466 ( 5.243 0.800 -0.785) 5.362 1.559 ( 1.869 1.851 -2.073) 3.349 1.713 ( 6.623 0.657 -0.134) 6.656 1.828 ( 4.750 -0.991 -2.386) 5.407 1.894 ( 7.025 0.528 -0.275) 7.050 2.035 ( -1.249 6.479 -4.220) 7.833 2.093 ( 5.876 -0.206 1.155) 5.992 2.223 ( 18.845 5.857 0.625) 19.744 2.401 ( -0.112 -6.239 -5.160) 8.097 2.577 ( 10.513 -7.722 4.131) 13.683 2.663 ( 1.030 2.192 -0.943) 2.599 2.819 ( -2.611 -0.845 2.175) 3.502 2.924 ( -7.321 2.708 1.157) 7.891 2.970 ( -1.703 1.108 0.080) 2.033 4.699 ( 5.085 0.233 1.143) 5.217 4.717 ( 8.832 0.363 1.151) 8.914 4.783 ( 3.504 -0.744 1.843) 4.029 4.861 ( 6.340 1.360 0.461) 6.501 4.959 ( 4.993 -0.326 1.741) 5.297 5.096 ( 2.017 -1.847 0.301) 2.752 5.153 ( 6.467 1.323 -1.304) 6.729 5.258 ( 4.978 0.192 -0.655) 5.025 5.301 ( 5.433 0.103 1.244) 5.575 5.735 ( 2.505 0.580 -4.249) 4.966 5.836 ( -0.161 0.117 -3.852) 3.857 5.882 ( 0.771 -1.908 -2.462) 3.209 6.044 ( -4.815 0.636 0.844) 4.929 6.269 ( 4.037 -0.833 -1.606) 4.424 6.366 ( 2.387 0.653 -3.840) 4.568 6.508 ( -3.361 -0.461 -1.359) 3.655 6.985 ( 17.195 0.021 -3.158) 17.483 7.188 ( 10.134 0.478 -7.899) 12.858 7.651 ( -0.166 -3.783 8.076) 8.920 8.600 ( -3.751 0.814 -4.052) 5.581 9.022 ( -0.884 -0.118 3.665) 3.772 9.509 ( -1.468 0.482 -0.631) 1.669 10.380 ( -2.132 -0.188 1.892) 2.857 10.405 ( -3.050 0.590 0.396) 3.132 ======================= Grid point 81 (32/84) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 6.925 0.504 2.376) 7.339 0.944 ( 7.239 1.585 3.208) 8.075 0.997 ( 4.008 -0.977 0.087) 4.126 1.054 ( 4.313 -2.489 1.768) 5.285 1.136 ( 0.871 0.274 -0.151) 0.925 1.174 ( 1.615 0.891 0.036) 1.845 1.331 ( 4.093 -0.729 -0.090) 4.158 1.380 ( 6.901 -0.923 -0.155) 6.964 1.445 ( 2.950 -1.730 1.971) 3.948 1.486 ( 2.696 -2.020 0.976) 3.507 1.567 ( 4.485 0.955 -1.505) 4.826 1.599 ( 2.242 1.197 -1.138) 2.785 1.853 ( 6.967 2.574 -1.818) 7.647 1.909 ( 4.228 -0.238 -3.031) 5.207 2.007 ( 1.583 3.122 -2.584) 4.351 2.028 ( 4.483 4.186 -0.341) 6.143 2.175 ( 3.570 -3.278 -0.216) 4.851 2.345 ( -4.412 -7.982 -5.518) 10.659 2.524 ( -6.121 1.722 4.420) 7.744 2.647 ( -9.056 -0.297 4.287) 10.024 2.747 ( 21.925 3.267 0.247) 22.168 2.793 ( 2.026 3.589 -0.140) 4.124 2.955 ( 13.381 -2.531 2.180) 13.792 3.012 ( 3.289 -1.568 -0.148) 3.647 4.735 ( 0.622 0.853 0.286) 1.094 4.803 ( 0.268 -0.821 -0.480) 0.988 4.930 ( 9.591 0.035 2.675) 9.958 5.009 ( 7.730 -0.161 1.058) 7.803 5.064 ( 4.963 -1.539 1.426) 5.389 5.161 ( 4.980 0.493 0.538) 5.033 5.237 ( 1.741 0.551 0.808) 1.997 5.365 ( 5.181 0.800 -1.617) 5.487 5.441 ( 8.395 0.960 0.490) 8.464 5.759 ( -1.018 -0.386 -1.320) 1.711 5.792 ( -3.552 0.396 -0.419) 3.599 5.873 ( -1.527 -0.886 -0.382) 1.806 6.000 ( 1.825 0.404 -1.149) 2.194 6.333 ( 1.566 -0.928 -4.861) 5.191 6.388 ( -5.440 0.555 -1.623) 5.704 6.441 ( 3.432 -0.330 -4.291) 5.504 7.203 ( 2.271 -2.309 2.994) 4.410 7.403 ( 12.729 4.354 -2.260) 13.641 7.720 ( 6.369 -3.063 0.809) 7.113 8.525 ( -3.645 0.430 -3.482) 5.059 9.007 ( -0.649 -0.322 3.497) 3.571 9.482 ( -1.259 0.392 -1.053) 1.688 10.337 ( -2.079 -0.231 1.391) 2.512 10.362 ( -1.598 0.322 -0.283) 1.655 ======================= Grid point 82 (33/84) ======================= q-point: ( 0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 3.762 -0.134 1.355) 4.001 1.038 ( 3.834 -0.825 -0.165) 3.926 1.083 ( 2.984 1.639 -0.343) 3.422 1.125 ( 2.409 -0.244 -0.600) 2.494 1.157 ( 1.881 -0.550 0.401) 2.001 1.204 ( 2.133 0.099 1.109) 2.406 1.401 ( 3.648 -2.109 -1.501) 4.473 1.497 ( 3.490 -0.958 -0.704) 3.687 1.511 ( 4.263 0.492 0.546) 4.325 1.547 ( 3.568 -0.490 1.326) 3.838 1.631 ( 1.937 0.692 -0.325) 2.082 1.650 ( 2.877 0.960 -0.880) 3.158 1.925 ( 0.793 2.173 -3.082) 3.853 1.978 ( 0.392 0.220 -4.497) 4.519 2.065 ( 6.136 0.907 0.177) 6.205 2.136 ( 3.476 0.270 -1.595) 3.834 2.218 ( -1.044 -2.704 -2.806) 4.034 2.275 ( -1.114 -4.093 1.987) 4.684 2.371 ( -5.973 2.352 3.459) 7.292 2.462 ( -6.007 0.765 4.822) 7.740 2.774 ( -2.466 4.677 2.956) 6.058 3.031 ( -0.227 -5.111 0.422) 5.134 3.186 ( 14.897 1.195 -1.281) 15.000 3.282 ( 19.382 -0.008 0.085) 19.382 4.736 ( -0.484 -0.045 -0.318) 0.581 4.796 ( -0.649 0.463 -1.378) 1.592 5.084 ( 2.645 -0.489 0.088) 2.691 5.110 ( 4.787 0.701 2.115) 5.280 5.170 ( 6.441 -1.719 2.062) 6.978 5.274 ( 4.873 1.383 0.622) 5.104 5.305 ( 5.348 -0.806 1.036) 5.506 5.396 ( 0.107 -0.909 0.714) 1.161 5.613 ( 5.352 2.364 -0.935) 5.925 5.679 ( -2.345 -0.382 -0.029) 2.376 5.773 ( -0.147 1.861 0.562) 1.949 5.835 ( -1.622 0.600 -0.154) 1.736 6.071 ( 2.797 -1.758 -2.563) 4.181 6.249 ( -3.808 -2.975 -1.802) 5.157 6.418 ( 2.890 1.828 -4.085) 5.328 6.481 ( 1.342 0.030 -2.973) 3.262 7.183 ( -2.538 -0.616 5.918) 6.469 7.602 ( 6.593 1.648 -2.356) 7.192 7.850 ( 5.858 -1.227 -0.839) 6.044 8.460 ( -2.892 0.264 -3.064) 4.222 8.996 ( -0.459 -0.492 3.427) 3.493 9.460 ( -0.903 0.395 -1.221) 1.569 10.301 ( -1.515 -0.086 0.579) 1.625 10.336 ( -1.101 0.074 -0.484) 1.205 ======================= Grid point 83 (34/84) ======================= q-point: ( 0.42 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 1.914 0.112 1.459) 2.409 1.091 ( 1.198 -0.819 -1.051) 1.792 1.111 ( 0.693 1.456 -0.122) 1.617 1.143 ( 0.043 -0.118 -2.366) 2.369 1.222 ( 3.712 0.253 0.628) 3.773 1.255 ( 2.484 0.118 0.350) 2.511 1.475 ( 3.351 -3.685 -1.048) 5.090 1.543 ( 2.065 -1.051 -1.657) 2.848 1.584 ( 2.560 0.211 -1.353) 2.904 1.607 ( 1.262 1.632 -0.495) 2.122 1.661 ( 1.931 1.598 0.158) 2.511 1.701 ( 2.334 0.019 -1.207) 2.628 1.902 ( -4.169 -0.459 -2.466) 4.865 1.932 ( -3.061 -0.246 -3.117) 4.375 2.130 ( -0.828 -0.193 0.816) 1.179 2.173 ( -2.246 0.422 1.146) 2.556 2.184 ( 0.834 0.122 0.880) 1.219 2.215 ( 0.228 -0.213 1.651) 1.680 2.372 ( 2.698 0.495 3.773) 4.665 2.467 ( 4.064 -0.419 1.812) 4.469 2.707 ( -3.717 4.377 4.340) 7.198 2.985 ( -3.502 -7.350 2.306) 8.462 3.393 ( 6.808 5.753 -2.434) 9.239 3.624 ( 13.141 -2.425 -2.405) 13.578 4.722 ( -0.695 -0.727 -0.914) 1.359 4.783 ( -0.533 1.447 -1.964) 2.497 5.079 ( -0.689 -0.127 0.137) 0.714 5.215 ( 4.017 1.075 1.930) 4.584 5.269 ( 2.773 -1.168 1.669) 3.441 5.303 ( -0.406 0.082 0.723) 0.833 5.405 ( 3.990 -1.015 1.287) 4.313 5.448 ( 4.255 -1.378 1.672) 4.775 5.588 ( -2.334 1.033 -0.212) 2.561 5.699 ( -0.394 -0.630 -0.829) 1.113 5.788 ( 0.372 -0.377 1.291) 1.395 5.844 ( 3.100 5.673 -1.727) 6.692 6.056 ( -2.811 0.647 -2.109) 3.573 6.223 ( -0.659 -8.180 -2.712) 8.643 6.460 ( 1.992 4.125 -1.732) 4.898 6.523 ( 2.424 -0.307 -1.731) 2.994 7.133 ( -2.089 -0.244 6.035) 6.391 7.675 ( 1.476 0.320 -2.801) 3.182 7.936 ( 2.770 -0.081 -1.459) 3.132 8.414 ( -1.666 0.182 -2.838) 3.296 8.989 ( -0.301 -0.611 3.394) 3.462 9.447 ( -0.489 0.416 -1.253) 1.408 10.278 ( -0.825 -0.061 0.162) 0.843 10.319 ( -0.614 0.034 -0.723) 0.949 ======================= Grid point 84 (35/84) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.000 -1.237 2.363) 2.668 1.095 ( 0.000 1.367 -1.904) 2.344 1.122 ( -0.000 0.623 0.745) 0.971 1.142 ( 0.000 -0.480 -3.268) 3.303 1.262 ( 0.000 0.871 0.999) 1.325 1.287 ( 0.000 0.553 -0.570) 0.794 1.508 ( -0.000 -3.585 -0.688) 3.651 1.581 ( -0.000 -0.585 -1.023) 1.178 1.598 ( 0.000 0.394 -2.397) 2.429 1.611 ( 0.000 0.054 -3.372) 3.373 1.696 ( 0.000 -0.419 -0.049) 0.422 1.736 ( 0.000 -0.212 -1.921) 1.933 1.820 ( 0.000 2.699 -0.995) 2.876 1.903 ( 0.000 -1.139 -1.692) 2.040 2.097 ( 0.000 1.291 2.166) 2.521 2.146 ( 0.000 1.825 3.191) 3.676 2.215 ( 0.000 -1.637 1.295) 2.088 2.229 ( 0.000 -0.415 1.065) 1.143 2.403 ( 0.000 0.480 3.872) 3.902 2.523 ( 0.000 -0.855 -0.557) 1.021 2.662 ( 0.000 4.077 4.758) 6.266 2.938 ( 0.000 -8.247 3.650) 9.018 3.460 ( 0.000 7.910 -2.955) 8.444 3.760 ( -0.000 -3.574 -3.320) 4.878 4.714 ( 0.000 -0.893 -1.178) 1.478 4.777 ( 0.000 1.698 -2.139) 2.731 5.072 ( 0.000 0.141 0.303) 0.334 5.260 ( 0.000 0.672 2.139) 2.242 5.271 ( 0.000 -0.077 -0.885) 0.888 5.317 ( 0.000 -0.897 3.569) 3.680 5.446 ( 0.000 -0.569 2.301) 2.370 5.500 ( 0.000 -2.200 0.064) 2.201 5.561 ( 0.000 0.759 -0.158) 0.775 5.689 ( 0.000 0.335 -0.973) 1.029 5.788 ( 0.000 -1.034 1.163) 1.557 5.888 ( 0.000 6.515 -1.994) 6.813 6.019 ( 0.000 0.022 -1.629) 1.630 6.210 ( 0.000 -7.554 -2.840) 8.071 6.486 ( 0.000 3.479 -0.708) 3.550 6.551 ( 0.000 -0.230 -1.408) 1.427 7.111 ( 0.000 -0.177 5.916) 5.919 7.686 ( 0.000 -0.030 -3.044) 3.044 7.962 ( 0.000 0.237 -1.772) 1.788 8.397 ( 0.000 0.154 -2.791) 2.796 8.985 ( 0.000 -0.654 3.381) 3.444 9.442 ( 0.000 0.425 -1.253) 1.323 10.269 ( 0.000 -0.062 0.036) 0.072 10.313 ( 0.000 0.035 -0.823) 0.823 ======================= Grid point 91 (36/84) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 0.000 0.000 3.740) 3.740 0.577 ( 0.000 0.000 -1.990) 1.990 0.609 ( 0.000 0.000 4.472) 4.472 0.656 ( 0.000 -0.000 0.040) 0.040 0.903 ( 0.000 0.000 0.511) 0.511 0.984 ( 0.000 0.000 4.522) 4.522 1.129 ( 0.000 -0.000 4.598) 4.598 1.136 ( 0.000 0.000 11.127) 11.127 1.205 ( 0.000 0.000 3.514) 3.514 1.328 ( 0.000 0.000 -0.401) 0.401 1.427 ( 0.000 0.000 -3.286) 3.286 1.501 ( 0.000 0.000 2.365) 2.365 1.582 ( 0.000 0.000 -3.011) 3.011 1.627 ( 0.000 0.000 -1.199) 1.199 1.773 ( 0.000 -0.000 -1.588) 1.588 1.808 ( 0.000 0.000 -0.221) 0.221 2.121 ( 0.000 0.000 8.634) 8.634 2.184 ( 0.000 0.000 -4.748) 4.748 2.223 ( 0.000 0.000 3.879) 3.879 2.406 ( 0.000 0.000 -4.496) 4.496 2.700 ( 0.000 0.000 -9.760) 9.760 2.726 ( 0.000 0.000 -7.365) 7.365 3.141 ( 0.000 0.000 4.537) 4.537 3.164 ( 0.000 0.000 2.709) 2.709 4.437 ( 0.000 -0.000 0.058) 0.058 4.446 ( 0.000 0.000 1.027) 1.027 4.655 ( 0.000 0.000 -0.733) 0.733 4.782 ( 0.000 0.000 3.918) 3.918 4.854 ( 0.000 0.000 -5.333) 5.333 4.908 ( 0.000 0.000 1.632) 1.632 5.098 ( 0.000 0.000 4.137) 4.137 5.170 ( 0.000 0.000 -1.413) 1.413 5.173 ( 0.000 0.000 1.474) 1.474 5.614 ( 0.000 0.000 -8.005) 8.005 5.814 ( 0.000 -0.000 -7.750) 7.750 5.818 ( 0.000 0.000 -9.590) 9.590 6.128 ( 0.000 0.000 1.287) 1.287 6.178 ( 0.000 0.000 0.655) 0.655 6.218 ( 0.000 0.000 -0.261) 0.261 6.385 ( 0.000 0.000 1.521) 1.521 6.471 ( 0.000 0.000 2.431) 2.431 7.067 ( 0.000 0.000 -10.064) 10.064 7.674 ( 0.000 0.000 16.791) 16.791 8.715 ( 0.000 0.000 -6.367) 6.367 9.050 ( 0.000 0.000 4.183) 4.183 9.557 ( 0.000 0.000 0.921) 0.921 10.461 ( 0.000 0.000 4.487) 4.487 10.517 ( 0.000 -0.000 -4.960) 4.960 ======================= Grid point 93 (37/84) ======================= q-point: ( 0.08 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 7.477 0.000 1.550) 7.636 0.673 ( 5.826 -0.000 5.137) 7.768 0.716 ( 8.848 -0.000 2.858) 9.298 0.746 ( 7.173 0.000 0.928) 7.233 0.979 ( 6.342 0.000 -0.157) 6.344 1.041 ( 4.530 -0.000 2.694) 5.271 1.149 ( 2.089 -0.000 2.415) 3.193 1.163 ( 2.915 0.000 8.843) 9.311 1.323 ( 6.157 0.000 4.374) 7.552 1.342 ( 4.540 0.000 -2.689) 5.277 1.415 ( -0.560 0.000 -2.004) 2.081 1.559 ( 6.832 -0.000 1.493) 6.994 1.565 ( -0.909 0.000 -3.763) 3.871 1.728 ( 5.686 0.000 0.006) 5.686 1.796 ( 3.075 0.000 -1.897) 3.613 1.858 ( 8.032 0.000 -1.738) 8.218 2.140 ( 2.198 0.000 7.275) 7.600 2.204 ( 2.531 -0.000 -2.503) 3.560 2.221 ( 0.819 0.000 3.933) 4.017 2.398 ( -1.107 0.000 -4.680) 4.809 2.701 ( 0.277 0.000 -7.685) 7.690 2.755 ( 2.840 0.000 -5.184) 5.911 3.077 ( -5.641 0.000 4.093) 6.970 3.101 ( -5.904 0.000 2.617) 6.458 4.534 ( 7.717 -0.000 1.079) 7.792 4.549 ( 8.979 0.000 -0.048) 8.979 4.732 ( 6.946 0.000 0.082) 6.947 4.770 ( -0.255 0.000 2.639) 2.651 4.910 ( 0.687 0.000 1.987) 2.102 4.976 ( 8.165 0.000 -3.433) 8.857 5.106 ( 2.279 0.000 2.716) 3.545 5.117 ( -0.232 -0.000 -0.381) 0.446 5.264 ( 3.723 0.000 -0.211) 3.729 5.686 ( 4.600 0.000 -6.482) 7.948 5.816 ( 1.295 -0.000 -6.257) 6.390 5.822 ( 1.049 0.000 -7.277) 7.353 6.109 ( -2.617 0.000 3.288) 4.202 6.213 ( 3.765 0.000 -0.274) 3.775 6.337 ( 2.724 0.000 -2.457) 3.669 6.449 ( 6.478 0.000 -0.268) 6.483 6.614 ( 16.919 0.000 -2.884) 17.163 7.057 ( 0.922 0.000 -9.613) 9.657 7.647 ( -2.374 0.000 15.131) 15.317 8.681 ( -3.085 0.000 -5.472) 6.282 9.040 ( -0.852 0.000 4.015) 4.105 9.543 ( -1.242 0.000 0.474) 1.329 10.431 ( -2.568 0.000 3.936) 4.700 10.476 ( -3.376 -0.000 -3.198) 4.650 ======================= Grid point 95 (38/84) ======================= q-point: ( 0.17 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 5.932 0.000 6.895) 9.096 0.806 ( 7.791 0.000 3.828) 8.680 0.868 ( 7.045 -0.000 2.242) 7.393 0.885 ( 7.299 -0.000 0.586) 7.322 1.111 ( 5.903 -0.000 -1.590) 6.113 1.116 ( 2.238 0.000 -0.024) 2.238 1.226 ( 5.437 -0.000 1.517) 5.645 1.244 ( 5.096 0.000 5.307) 7.358 1.362 ( 2.122 0.000 0.999) 2.346 1.422 ( 1.569 0.000 0.038) 1.570 1.486 ( 5.940 0.000 -1.602) 6.152 1.568 ( 1.202 0.000 -3.508) 3.708 1.726 ( 8.001 0.000 -1.731) 8.186 1.809 ( 4.319 0.000 -0.136) 4.321 1.910 ( 7.119 0.000 -0.408) 7.131 2.048 ( 5.982 0.000 -4.922) 7.747 2.162 ( -0.503 0.000 -2.449) 2.500 2.280 ( 0.476 -0.000 -0.959) 1.070 2.379 ( 16.010 -0.000 6.493) 17.277 2.427 ( 10.878 0.000 0.766) 10.905 2.705 ( -0.516 0.000 -2.943) 2.988 2.798 ( -1.265 0.000 0.429) 1.336 2.956 ( -5.377 0.000 2.048) 5.754 2.978 ( -3.845 0.000 0.383) 3.864 4.704 ( 5.166 0.000 0.711) 5.214 4.716 ( 9.865 0.000 1.527) 9.983 4.778 ( 1.340 0.000 1.677) 2.147 4.873 ( 6.774 0.000 -0.012) 6.775 4.958 ( 4.072 0.000 2.451) 4.753 5.071 ( 3.172 0.000 0.359) 3.192 5.183 ( 6.412 0.000 -0.189) 6.415 5.238 ( 8.558 0.000 -0.853) 8.601 5.312 ( 2.445 0.000 -0.119) 2.448 5.741 ( 1.478 0.000 -4.836) 5.057 5.838 ( -0.447 0.000 -3.029) 3.061 5.861 ( 1.828 0.000 -2.923) 3.448 6.051 ( -3.479 0.000 1.889) 3.959 6.258 ( 2.592 0.000 -2.650) 3.707 6.374 ( 2.719 0.000 -3.082) 4.110 6.503 ( -3.061 0.000 -1.493) 3.406 6.986 ( 16.526 0.000 -4.245) 17.063 7.193 ( 12.499 0.000 -7.046) 14.348 7.610 ( -0.216 0.000 10.351) 10.353 8.608 ( -4.006 0.000 -4.290) 5.870 9.021 ( -1.001 0.000 3.691) 3.824 9.514 ( -1.536 0.000 -0.344) 1.574 10.379 ( -2.495 0.000 2.561) 3.576 10.411 ( -2.862 0.000 -1.122) 3.074 ======================= Grid point 97 (39/84) ======================= q-point: ( 0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 4.880 0.000 2.925) 5.689 0.935 ( 5.544 0.000 2.880) 6.248 1.000 ( 5.856 0.000 1.764) 6.115 1.028 ( 6.463 -0.000 1.399) 6.613 1.141 ( 0.693 0.000 -0.505) 0.857 1.179 ( 1.247 -0.000 -0.783) 1.472 1.325 ( 4.084 0.000 -1.375) 4.309 1.366 ( 6.744 0.000 1.517) 6.912 1.421 ( 4.019 0.000 2.146) 4.556 1.473 ( 3.212 0.000 1.417) 3.511 1.579 ( 3.594 0.000 -1.528) 3.905 1.607 ( 2.606 0.000 -1.889) 3.219 1.881 ( 7.554 -0.000 -3.371) 8.272 1.907 ( 4.868 0.000 -1.921) 5.234 2.030 ( 4.490 0.000 2.635) 5.205 2.114 ( 2.118 0.000 -6.246) 6.595 2.147 ( 0.098 -0.000 -4.153) 4.155 2.221 ( -3.240 -0.000 -0.505) 3.279 2.558 ( -5.743 0.000 3.623) 6.790 2.626 ( -7.584 0.000 5.599) 9.427 2.808 ( 11.808 -0.000 1.134) 11.863 2.812 ( 17.061 0.000 -0.977) 17.089 2.934 ( 7.583 0.000 0.918) 7.639 2.985 ( 2.084 0.000 0.358) 2.114 4.747 ( 0.126 0.000 0.437) 0.454 4.791 ( 0.891 0.000 -0.652) 1.104 4.930 ( 10.247 0.000 2.976) 10.671 5.007 ( 6.046 0.000 0.255) 6.051 5.052 ( 5.290 0.000 1.496) 5.498 5.153 ( 5.256 0.000 0.647) 5.295 5.259 ( 1.724 0.000 1.489) 2.278 5.363 ( 3.380 0.000 -1.095) 3.553 5.456 ( 10.877 0.000 -0.042) 10.877 5.754 ( -1.806 0.000 -2.344) 2.959 5.798 ( -1.776 0.000 0.186) 1.786 5.862 ( -1.202 0.000 -1.068) 1.608 6.005 ( -0.133 0.000 -0.474) 0.492 6.323 ( 1.376 0.000 -4.968) 5.155 6.393 ( -4.388 0.000 -1.624) 4.679 6.438 ( 2.984 0.000 -4.124) 5.091 7.181 ( 3.206 0.000 3.060) 4.431 7.452 ( 11.670 0.000 -3.876) 12.297 7.682 ( 7.281 0.000 2.775) 7.792 8.530 ( -3.770 0.000 -3.564) 5.188 9.003 ( -0.758 0.000 3.472) 3.554 9.486 ( -1.273 0.000 -0.900) 1.559 10.334 ( -1.983 0.000 1.333) 2.389 10.366 ( -1.805 0.000 -0.454) 1.861 ======================= Grid point 99 (40/84) ======================= q-point: ( 0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 4.748 0.000 -1.177) 4.892 1.020 ( 2.714 0.000 2.351) 3.590 1.100 ( 3.983 0.000 -0.314) 3.995 1.124 ( 2.820 0.000 0.096) 2.822 1.157 ( 1.621 0.000 0.358) 1.660 1.195 ( 1.446 0.000 1.112) 1.824 1.391 ( 2.804 0.000 -2.253) 3.597 1.475 ( 3.635 0.000 -0.911) 3.747 1.512 ( 4.658 0.000 1.283) 4.831 1.550 ( 4.798 0.000 1.068) 4.915 1.637 ( 2.374 0.000 -0.562) 2.440 1.660 ( 2.431 0.000 -0.667) 2.521 1.957 ( -0.718 0.000 -3.042) 3.125 1.976 ( 0.183 -0.000 -4.500) 4.504 2.085 ( 3.659 0.000 -0.658) 3.718 2.121 ( -0.236 -0.000 -4.878) 4.884 2.205 ( 3.892 0.000 1.574) 4.198 2.222 ( 1.573 -0.000 1.465) 2.150 2.406 ( -6.565 0.000 4.051) 7.715 2.457 ( -5.722 0.000 5.410) 7.875 2.844 ( -2.131 0.000 0.596) 2.213 2.959 ( -2.040 0.000 1.654) 2.626 3.196 ( 16.431 0.000 -1.044) 16.464 3.282 ( 18.871 0.000 -0.045) 18.871 4.735 ( -0.992 0.000 -0.187) 1.010 4.801 ( 0.101 0.000 -1.658) 1.661 5.079 ( 0.977 0.000 -0.758) 1.236 5.117 ( 8.275 0.000 3.328) 8.919 5.155 ( 5.069 0.000 1.611) 5.319 5.265 ( 5.294 0.000 -0.566) 5.324 5.325 ( 4.969 0.000 3.026) 5.818 5.378 ( -0.790 0.000 0.196) 0.814 5.643 ( 6.384 0.000 -0.605) 6.413 5.669 ( -4.491 -0.000 -0.223) 4.497 5.791 ( -0.351 0.000 1.558) 1.597 5.850 ( 1.171 0.000 -0.935) 1.499 6.046 ( 3.233 0.000 -3.088) 4.471 6.219 ( -6.795 0.000 -2.505) 7.242 6.436 ( 3.951 0.000 -3.309) 5.154 6.481 ( 1.570 0.000 -2.950) 3.342 7.176 ( -2.148 0.000 5.902) 6.281 7.621 ( 5.366 0.000 -2.783) 6.044 7.836 ( 6.904 0.000 -0.364) 6.914 8.463 ( -2.953 0.000 -3.091) 4.275 8.991 ( -0.543 0.000 3.378) 3.421 9.465 ( -0.892 0.000 -1.110) 1.424 10.300 ( -1.481 0.000 0.565) 1.585 10.337 ( -1.157 0.000 -0.528) 1.271 ======================= Grid point 101 (41/84) ======================= q-point: ( 0.42 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 0.710 0.000 2.491) 2.590 1.080 ( 3.079 -0.000 -2.326) 3.859 1.129 ( 0.101 0.000 -2.164) 2.166 1.139 ( -0.421 -0.000 -0.660) 0.783 1.229 ( 4.034 0.000 1.324) 4.246 1.252 ( 3.391 0.000 0.513) 3.429 1.442 ( 2.362 0.000 -1.120) 2.614 1.529 ( 2.545 0.000 -1.730) 3.077 1.587 ( 2.538 0.000 -1.648) 3.026 1.623 ( 1.083 0.000 -0.236) 1.108 1.675 ( 1.522 -0.000 0.408) 1.576 1.701 ( 2.155 0.000 -1.169) 2.452 1.900 ( -3.728 0.000 -2.471) 4.473 1.927 ( -3.513 0.000 -3.869) 5.226 2.129 ( 0.012 0.000 1.220) 1.220 2.171 ( 3.319 0.000 0.901) 3.439 2.197 ( -2.002 -0.000 2.090) 2.894 2.208 ( -1.970 0.000 0.851) 2.146 2.379 ( 2.364 0.000 4.080) 4.715 2.461 ( 3.812 0.000 1.850) 4.237 2.779 ( -3.755 -0.000 2.223) 4.364 2.884 ( -4.567 0.000 3.838) 5.965 3.461 ( 9.605 0.000 -2.278) 9.871 3.588 ( 11.302 -0.000 -2.509) 11.577 4.716 ( -0.850 0.000 -0.869) 1.216 4.798 ( -0.272 0.000 -2.220) 2.237 5.078 ( -0.375 0.000 -0.078) 0.383 5.241 ( 3.262 -0.000 0.883) 3.379 5.244 ( 4.209 0.000 3.306) 5.352 5.297 ( -1.244 0.000 -0.389) 1.304 5.414 ( 4.060 -0.000 0.604) 4.105 5.419 ( 3.717 0.000 3.408) 5.043 5.600 ( -2.569 0.000 -0.205) 2.577 5.694 ( 0.238 0.000 -1.419) 1.439 5.781 ( -0.490 0.000 1.826) 1.891 5.917 ( 4.326 0.000 -1.064) 4.455 6.094 ( 1.303 0.000 -3.607) 3.835 6.098 ( -5.361 -0.000 -1.902) 5.688 6.509 ( 1.240 -0.000 -1.281) 1.783 6.509 ( 3.200 0.000 -2.219) 3.894 7.130 ( -2.003 0.000 6.041) 6.364 7.679 ( 1.049 0.000 -2.893) 3.077 7.935 ( 3.156 0.000 -1.386) 3.447 8.416 ( -1.696 0.000 -2.862) 3.327 8.982 ( -0.349 0.000 3.334) 3.352 9.451 ( -0.479 0.000 -1.137) 1.234 10.277 ( -0.824 0.000 0.170) 0.842 10.319 ( -0.616 0.000 -0.756) 0.975 ======================= Grid point 103 (42/84) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 0.000 0.000 2.536) 2.536 1.118 ( -0.000 0.000 -2.947) 2.947 1.126 ( 0.000 0.000 0.406) 0.406 1.129 ( 0.000 -0.000 -2.351) 2.351 1.273 ( 0.000 0.000 1.360) 1.360 1.292 ( 0.000 0.000 -0.752) 0.752 1.471 ( -0.000 0.000 -0.039) 0.039 1.577 ( 0.000 0.000 -1.175) 1.175 1.601 ( 0.000 0.000 -2.391) 2.391 1.608 ( 0.000 0.000 -3.359) 3.359 1.693 ( 0.000 0.000 -0.125) 0.125 1.734 ( -0.000 0.000 -1.674) 1.674 1.853 ( 0.000 -0.000 -0.445) 0.445 1.883 ( 0.000 0.000 -1.572) 1.572 2.120 ( 0.000 -0.000 2.011) 2.011 2.170 ( 0.000 -0.000 -0.260) 0.260 2.187 ( 0.000 0.000 3.499) 3.499 2.223 ( 0.000 0.000 0.932) 0.932 2.410 ( 0.000 0.000 4.116) 4.116 2.512 ( 0.000 0.000 -0.371) 0.371 2.733 ( 0.000 -0.000 3.035) 3.035 2.826 ( 0.000 0.000 5.246) 5.246 3.558 ( 0.000 0.000 -2.699) 2.699 3.704 ( -0.000 -0.000 -3.519) 3.519 4.706 ( 0.000 0.000 -1.158) 1.158 4.794 ( 0.000 0.000 -2.380) 2.380 5.074 ( 0.000 0.000 0.140) 0.140 5.270 ( -0.000 0.000 -0.670) 0.670 5.274 ( 0.000 -0.000 0.677) 0.677 5.296 ( 0.000 0.000 4.702) 4.702 5.457 ( 0.000 -0.000 3.472) 3.472 5.464 ( 0.000 0.000 -0.500) 0.500 5.571 ( 0.000 0.000 -0.181) 0.181 5.693 ( 0.000 0.000 -1.701) 1.701 5.776 ( 0.000 0.000 1.848) 1.848 5.986 ( 0.000 0.000 -1.156) 1.156 6.019 ( 0.000 0.000 -1.606) 1.606 6.104 ( 0.000 -0.000 -3.510) 3.510 6.523 ( 0.000 -0.000 -0.604) 0.604 6.545 ( 0.000 0.000 -1.736) 1.736 7.109 ( 0.000 0.000 5.933) 5.933 7.685 ( 0.000 0.000 -3.070) 3.070 7.965 ( 0.000 0.000 -1.774) 1.774 8.399 ( 0.000 0.000 -2.819) 2.819 8.978 ( 0.000 0.000 3.318) 3.318 9.446 ( 0.000 0.000 -1.130) 1.130 10.269 ( 0.000 0.000 0.050) 0.050 10.313 ( 0.000 0.000 -0.858) 0.858 ======================= Grid point 130 (43/84) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 0.000 0.000 9.805) 9.805 0.724 ( 0.000 0.000 15.918) 15.918 0.765 ( 0.000 0.000 -0.215) 0.215 0.865 ( 0.000 0.000 5.890) 5.890 1.000 ( 0.000 0.000 9.061) 9.061 1.096 ( 0.000 0.000 0.126) 0.126 1.136 ( 0.000 0.000 -3.616) 3.616 1.140 ( 0.000 0.000 6.822) 6.822 1.304 ( 0.000 0.000 6.500) 6.500 1.364 ( 0.000 0.000 -0.581) 0.581 1.446 ( 0.000 0.000 -0.699) 0.699 1.519 ( 0.000 0.000 1.959) 1.959 1.536 ( 0.000 0.000 -1.280) 1.280 1.750 ( 0.000 0.000 -4.073) 4.073 1.789 ( 0.000 0.000 5.389) 5.389 1.833 ( 0.000 0.000 -2.813) 2.813 1.864 ( 0.000 0.000 -10.768) 10.768 1.952 ( 0.000 0.000 -0.009) 0.009 2.275 ( 0.000 0.000 2.981) 2.981 2.343 ( 0.000 0.000 -8.612) 8.612 2.666 ( 0.000 0.000 4.354) 4.354 2.812 ( 0.000 0.000 -10.873) 10.873 3.145 ( 0.000 0.000 0.642) 0.642 3.180 ( 0.000 0.000 6.212) 6.212 4.438 ( 0.000 0.000 3.962) 3.962 4.529 ( 0.000 0.000 -1.447) 1.447 4.550 ( 0.000 0.000 -1.857) 1.857 4.801 ( 0.000 0.000 -5.953) 5.953 4.924 ( 0.000 0.000 2.044) 2.044 4.973 ( 0.000 0.000 2.050) 2.050 5.077 ( 0.000 0.000 1.297) 1.297 5.110 ( 0.000 0.000 5.265) 5.265 5.251 ( 0.000 0.000 0.914) 0.914 5.331 ( 0.000 0.000 -3.177) 3.177 5.650 ( 0.000 0.000 -8.468) 8.468 5.717 ( 0.000 0.000 -8.567) 8.567 6.166 ( 0.000 0.000 1.521) 1.521 6.186 ( 0.000 0.000 0.832) 0.832 6.279 ( 0.000 0.000 -2.336) 2.336 6.288 ( 0.000 0.000 -0.973) 0.973 6.623 ( 0.000 0.000 1.069) 1.069 6.755 ( 0.000 0.000 -4.719) 4.719 8.043 ( 0.000 0.000 9.807) 9.807 8.561 ( 0.000 0.000 -6.654) 6.654 9.148 ( 0.000 0.000 6.213) 6.213 9.504 ( 0.000 0.000 -3.305) 3.305 10.427 ( 0.000 0.000 1.412) 1.412 10.588 ( 0.000 0.000 -2.771) 2.771 ======================= Grid point 131 (44/84) ======================= q-point: ( 0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 8.659 0.000 8.909) 12.424 0.766 ( 4.422 0.000 12.685) 13.434 0.884 ( 9.151 0.000 1.316) 9.246 0.927 ( 5.529 0.000 4.067) 6.863 1.038 ( 3.064 0.000 5.036) 5.895 1.104 ( 0.844 0.000 -0.407) 0.937 1.149 ( 1.594 0.000 -2.896) 3.305 1.173 ( 3.411 0.000 5.988) 6.892 1.356 ( 2.820 0.000 2.750) 3.939 1.424 ( 4.991 0.000 -0.020) 4.991 1.441 ( -0.101 0.000 -0.665) 0.672 1.523 ( -0.859 0.000 -1.681) 1.888 1.601 ( 7.424 0.000 -0.127) 7.425 1.714 ( 2.299 0.000 3.138) 3.890 1.779 ( -2.036 0.000 -5.453) 5.820 1.843 ( 3.939 0.000 -1.695) 4.288 1.953 ( 4.746 0.000 -3.409) 5.843 2.030 ( 7.647 0.000 5.107) 9.196 2.283 ( 0.906 0.000 -2.554) 2.710 2.402 ( 5.613 0.000 -6.689) 8.733 2.685 ( 2.622 0.000 3.484) 4.360 2.826 ( 1.682 0.000 -8.235) 8.405 3.072 ( -6.735 0.000 1.584) 6.919 3.115 ( -6.234 0.000 5.935) 8.607 4.549 ( 9.584 0.000 3.357) 10.155 4.603 ( 6.539 0.000 -0.682) 6.574 4.656 ( 9.812 0.000 -0.438) 9.822 4.799 ( 0.651 0.000 0.622) 0.901 4.944 ( -1.163 0.000 2.422) 2.687 5.059 ( 7.786 0.000 -3.740) 8.638 5.071 ( 0.879 0.000 0.541) 1.032 5.183 ( -2.145 0.000 -0.888) 2.322 5.215 ( 7.475 0.000 4.408) 8.678 5.456 ( 8.389 0.000 -5.417) 9.986 5.712 ( 6.034 0.000 -7.736) 9.810 5.713 ( 0.109 0.000 -7.347) 7.348 6.146 ( -3.987 0.000 -0.175) 3.991 6.234 ( 0.463 0.000 -0.536) 0.708 6.289 ( 2.423 0.000 -0.121) 2.426 6.410 ( 11.393 0.000 0.149) 11.394 6.714 ( 10.789 0.000 -4.393) 11.649 6.735 ( -0.180 0.000 -4.624) 4.628 7.982 ( -5.444 0.000 10.883) 12.169 8.539 ( -2.096 0.000 -6.770) 7.088 9.139 ( -0.834 0.000 6.128) 6.185 9.491 ( -1.164 0.000 -3.352) 3.549 10.417 ( -0.975 0.000 1.259) 1.593 10.534 ( -4.601 0.000 -0.665) 4.649 ======================= Grid point 132 (45/84) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 5.265 0.000 8.027) 9.600 0.875 ( 5.898 0.000 8.361) 10.232 1.021 ( 2.516 0.000 2.159) 3.315 1.030 ( 4.770 0.000 1.158) 4.908 1.111 ( 4.052 0.000 1.072) 4.191 1.124 ( 0.900 0.000 -0.656) 1.114 1.226 ( 6.230 0.000 -1.642) 6.443 1.268 ( 5.747 0.000 3.934) 6.965 1.423 ( 3.963 0.000 0.826) 4.048 1.453 ( 1.301 0.000 0.274) 1.330 1.520 ( 4.803 0.000 1.430) 5.011 1.522 ( 1.156 0.000 -1.102) 1.598 1.650 ( 2.524 0.000 -5.527) 6.075 1.770 ( 1.209 0.000 -5.916) 6.038 1.817 ( 2.904 0.000 -0.072) 2.905 2.022 ( 2.638 0.000 2.165) 3.413 2.086 ( 14.033 0.000 -2.250) 14.212 2.253 ( 18.632 0.000 10.439) 21.357 2.281 ( -1.777 0.000 -8.482) 8.666 2.557 ( 9.157 0.000 -4.008) 9.996 2.768 ( 2.576 0.000 -1.048) 2.781 2.878 ( 1.173 0.000 -1.476) 1.886 2.922 ( -4.902 0.000 4.379) 6.573 2.966 ( -5.910 0.000 3.569) 6.903 4.715 ( 2.897 0.000 1.068) 3.087 4.748 ( 8.461 0.000 1.330) 8.565 4.831 ( 5.685 0.000 2.181) 6.089 4.870 ( 7.652 0.000 1.485) 7.795 5.000 ( 7.923 0.000 2.499) 8.307 5.102 ( -0.218 0.000 -0.730) 0.762 5.129 ( 5.972 0.000 -0.237) 5.977 5.218 ( 2.717 0.000 -1.471) 3.089 5.359 ( 6.210 0.000 2.411) 6.661 5.618 ( 7.334 0.000 -6.752) 9.969 5.743 ( 3.155 0.000 -4.328) 5.356 5.843 ( 5.561 0.000 -4.242) 6.994 6.028 ( -6.892 0.000 -0.359) 6.902 6.209 ( -1.498 0.000 -6.784) 6.948 6.320 ( 0.901 0.000 1.976) 2.172 6.480 ( -5.028 0.000 -1.976) 5.403 6.938 ( 19.486 0.000 -2.317) 19.623 7.021 ( 16.997 0.000 -6.626) 18.243 7.867 ( -5.150 0.000 11.190) 12.318 8.485 ( -3.246 0.000 -6.985) 7.702 9.120 ( -0.953 0.000 5.934) 6.010 9.463 ( -1.567 0.000 -3.416) 3.758 10.391 ( -1.556 0.000 0.821) 1.759 10.440 ( -4.377 0.000 0.965) 4.482 ======================= Grid point 133 (46/84) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 5.498 0.000 3.247) 6.385 0.978 ( 4.306 0.000 3.766) 5.721 1.043 ( 0.384 0.000 2.325) 2.356 1.091 ( 1.594 0.000 0.336) 1.629 1.146 ( 1.687 0.000 0.022) 1.687 1.172 ( 2.193 0.000 0.536) 2.258 1.349 ( 5.647 0.000 -0.962) 5.728 1.375 ( 4.590 0.000 1.014) 4.701 1.483 ( 1.450 0.000 0.493) 1.532 1.506 ( 4.320 0.000 -0.863) 4.405 1.571 ( 3.443 0.000 0.662) 3.506 1.581 ( 1.523 0.000 2.001) 2.514 1.750 ( 5.977 0.000 -5.109) 7.863 1.823 ( 3.771 0.000 -5.500) 6.669 1.904 ( 6.801 0.000 0.038) 6.801 2.074 ( 2.629 0.000 2.234) 3.450 2.224 ( -3.079 0.000 -7.986) 8.559 2.250 ( 5.627 0.000 1.403) 5.799 2.619 ( -12.061 0.000 -0.300) 12.065 2.683 ( -2.119 0.000 5.585) 5.973 2.729 ( 24.598 0.000 2.296) 24.705 2.770 ( -1.307 0.000 -0.908) 1.592 3.023 ( 5.669 0.000 0.567) 5.698 3.034 ( 10.360 0.000 1.772) 10.511 4.735 ( -0.034 0.000 0.648) 0.649 4.800 ( -0.940 0.000 -0.802) 1.235 4.980 ( 8.260 0.000 2.533) 8.640 5.053 ( 9.040 0.000 2.575) 9.399 5.113 ( 1.588 0.000 -1.188) 1.983 5.162 ( 7.441 0.000 2.890) 7.983 5.261 ( 2.382 0.000 0.669) 2.475 5.307 ( 9.698 0.000 -0.603) 9.717 5.450 ( 4.021 0.000 0.928) 4.127 5.719 ( 2.533 0.000 -3.781) 4.551 5.780 ( -2.842 0.000 0.322) 2.861 5.894 ( -0.286 0.000 0.336) 0.441 5.956 ( 2.744 0.000 -1.780) 3.271 6.205 ( 1.348 0.000 -8.918) 9.019 6.349 ( -6.469 0.000 -1.688) 6.686 6.352 ( 2.292 0.000 -3.878) 4.505 7.279 ( 7.571 0.000 0.504) 7.588 7.311 ( 15.907 0.000 -2.018) 16.034 7.815 ( 0.501 0.000 7.604) 7.621 8.419 ( -3.199 0.000 -6.994) 7.691 9.104 ( -0.644 0.000 5.762) 5.798 9.434 ( -1.327 0.000 -3.388) 3.639 10.358 ( -1.697 0.000 0.210) 1.710 10.366 ( -3.178 0.000 0.927) 3.311 ======================= Grid point 134 (47/84) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 1.752 0.000 -0.924) 1.981 1.044 ( 2.341 0.000 0.213) 2.350 1.067 ( 3.346 0.000 2.958) 4.466 1.108 ( 0.685 0.000 -0.441) 0.815 1.187 ( 2.231 0.000 1.064) 2.472 1.208 ( 1.696 0.000 0.321) 1.726 1.446 ( 2.789 0.000 -0.755) 2.889 1.455 ( 5.132 0.000 -0.160) 5.134 1.504 ( 0.647 0.000 -0.967) 1.163 1.582 ( 2.495 0.000 -0.743) 2.603 1.606 ( 1.940 0.000 -0.279) 1.960 1.629 ( 1.710 0.000 0.572) 1.804 1.844 ( 3.458 0.000 -3.199) 4.711 1.890 ( 1.643 0.000 -3.520) 3.885 2.068 ( 8.530 0.000 0.640) 8.554 2.105 ( 0.996 0.000 -2.556) 2.743 2.207 ( 1.608 0.000 -0.076) 1.610 2.334 ( -0.593 0.000 -0.518) 0.787 2.395 ( -6.120 0.000 3.494) 7.047 2.555 ( -5.400 0.000 4.735) 7.182 2.808 ( 0.695 0.000 3.385) 3.455 3.112 ( 11.494 0.000 -3.852) 12.122 3.116 ( 3.197 0.000 2.878) 4.301 3.280 ( 15.837 0.000 -0.649) 15.851 4.726 ( -0.767 0.000 -0.456) 0.892 4.765 ( -2.154 0.000 -1.403) 2.571 5.108 ( -0.285 0.000 0.735) 0.788 5.128 ( 6.524 0.000 1.401) 6.673 5.243 ( 7.904 0.000 1.875) 8.123 5.267 ( 2.581 0.000 0.116) 2.583 5.329 ( 4.427 0.000 0.981) 4.534 5.442 ( 4.843 0.000 2.990) 5.691 5.571 ( 7.226 0.000 0.428) 7.239 5.685 ( -4.245 0.000 1.142) 4.396 5.725 ( -1.411 0.000 -2.555) 2.919 5.863 ( -1.914 0.000 2.039) 2.796 6.031 ( 1.018 0.000 -3.043) 3.209 6.235 ( 0.569 0.000 -9.801) 9.817 6.289 ( 1.980 0.000 0.220) 1.992 6.408 ( 3.514 0.000 -3.963) 5.297 7.329 ( -1.009 0.000 7.015) 7.088 7.534 ( 6.823 0.000 -2.776) 7.366 7.869 ( 3.551 0.000 2.864) 4.562 8.363 ( -2.465 0.000 -6.669) 7.110 9.094 ( -0.435 0.000 5.645) 5.662 9.411 ( -0.927 0.000 -3.307) 3.435 10.314 ( -2.135 0.000 0.491) 2.191 10.326 ( -1.457 0.000 -0.380) 1.506 ======================= Grid point 135 (48/84) ======================= q-point: ( 0.42 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 0.559 0.000 -1.169) 1.296 1.068 ( 0.333 0.000 -2.785) 2.805 1.126 ( 1.651 0.000 2.371) 2.889 1.129 ( 1.182 0.000 1.502) 1.912 1.238 ( 2.977 0.000 1.199) 3.210 1.248 ( 2.221 0.000 -0.100) 2.224 1.497 ( 2.490 0.000 -2.438) 3.485 1.511 ( 0.302 0.000 -2.408) 2.427 1.538 ( 2.060 0.000 -1.024) 2.301 1.599 ( -0.030 0.000 0.753) 0.754 1.642 ( 0.940 0.000 0.174) 0.956 1.655 ( 2.015 0.000 -3.074) 3.675 1.855 ( -4.292 0.000 -2.638) 5.038 1.882 ( 0.254 0.000 -2.524) 2.537 2.158 ( 3.484 0.000 1.937) 3.986 2.191 ( -5.886 0.000 1.615) 6.104 2.205 ( 4.774 0.000 0.879) 4.854 2.245 ( 1.799 0.000 0.898) 2.010 2.440 ( 3.179 0.000 3.436) 4.681 2.509 ( 0.174 0.000 1.645) 1.654 2.787 ( -2.122 0.000 6.754) 7.080 3.145 ( 0.151 0.000 5.861) 5.863 3.238 ( 3.154 0.000 -5.859) 6.654 3.574 ( 11.525 0.000 -5.172) 12.633 4.710 ( -0.687 0.000 -1.302) 1.472 4.725 ( -1.631 0.000 -1.928) 2.525 5.096 ( -0.597 0.000 1.349) 1.476 5.222 ( 2.580 0.000 -0.825) 2.708 5.290 ( 0.925 0.000 1.164) 1.487 5.364 ( 3.953 0.000 3.987) 5.614 5.422 ( 4.450 0.000 -1.348) 4.650 5.524 ( 3.094 0.000 3.537) 4.700 5.601 ( -1.890 0.000 4.444) 4.829 5.683 ( -2.341 0.000 -2.573) 3.479 5.718 ( 4.712 0.000 -2.553) 5.359 5.836 ( -0.788 0.000 2.246) 2.380 6.001 ( -2.278 0.000 -2.934) 3.715 6.217 ( -1.792 0.000 -8.361) 8.551 6.383 ( 5.125 0.000 0.552) 5.154 6.482 ( 3.385 0.000 -2.453) 4.180 7.291 ( -2.028 0.000 8.828) 9.058 7.605 ( 1.207 0.000 -3.743) 3.933 7.922 ( 1.635 0.000 0.861) 1.848 8.323 ( -1.483 0.000 -6.343) 6.514 9.087 ( -0.297 0.000 5.554) 5.562 9.397 ( -0.506 0.000 -3.268) 3.307 10.281 ( -1.107 0.000 0.151) 1.117 10.303 ( -0.855 0.000 -0.787) 1.162 ======================= Grid point 136 (49/84) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 0.000 0.000 -1.652) 1.652 1.070 ( 0.000 0.000 -3.455) 3.455 1.139 ( 0.000 0.000 2.604) 2.604 1.141 ( -0.000 0.000 2.094) 2.094 1.274 ( -0.000 0.000 0.187) 0.187 1.278 ( 0.000 0.000 1.847) 1.847 1.525 ( -0.000 0.000 -3.559) 3.559 1.526 ( 0.000 0.000 -1.758) 1.758 1.531 ( 0.000 0.000 -2.708) 2.708 1.592 ( -0.000 0.000 -0.181) 0.181 1.676 ( 0.000 0.000 -3.903) 3.903 1.682 ( -0.000 0.000 -1.665) 1.665 1.785 ( 0.000 0.000 0.792) 0.792 1.874 ( 0.000 0.000 -1.802) 1.802 2.136 ( 0.000 0.000 2.688) 2.688 2.196 ( -0.000 0.000 1.933) 1.933 2.253 ( 0.000 0.000 0.972) 0.972 2.269 ( 0.000 0.000 2.124) 2.124 2.474 ( 0.000 0.000 3.439) 3.439 2.519 ( 0.000 0.000 -0.232) 0.232 2.759 ( 0.000 0.000 7.994) 7.994 3.142 ( 0.000 0.000 7.512) 7.512 3.267 ( 0.000 0.000 -6.733) 6.733 3.693 ( -0.000 0.000 -7.028) 7.028 4.703 ( 0.000 0.000 -1.590) 1.590 4.708 ( 0.000 0.000 -2.154) 2.154 5.090 ( 0.000 0.000 1.612) 1.612 5.240 ( -0.000 0.000 -2.095) 2.095 5.306 ( 0.000 0.000 2.590) 2.590 5.402 ( 0.000 0.000 4.743) 4.743 5.474 ( 0.000 0.000 -2.477) 2.477 5.553 ( -0.000 0.000 0.227) 0.227 5.584 ( 0.000 0.000 7.668) 7.668 5.654 ( 0.000 0.000 -2.467) 2.467 5.768 ( 0.000 0.000 -2.823) 2.823 5.829 ( 0.000 0.000 2.105) 2.105 5.975 ( 0.000 0.000 -2.613) 2.613 6.194 ( 0.000 0.000 -7.153) 7.153 6.439 ( 0.000 0.000 0.413) 0.413 6.519 ( 0.000 0.000 -1.915) 1.915 7.268 ( 0.000 0.000 9.081) 9.081 7.613 ( 0.000 0.000 -4.146) 4.146 7.937 ( 0.000 0.000 0.244) 0.244 8.308 ( 0.000 0.000 -6.252) 6.252 9.083 ( 0.000 0.000 5.515) 5.515 9.392 ( 0.000 0.000 -3.266) 3.266 10.270 ( 0.000 0.000 0.030) 0.030 10.294 ( 0.000 0.000 -0.929) 0.929 ======================= Grid point 143 (50/84) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 0.000 3.199 7.350) 8.016 0.667 ( 0.000 -3.533 15.940) 16.327 0.738 ( 0.000 -2.447 1.524) 2.882 0.898 ( 0.000 2.852 4.361) 5.210 0.900 ( 0.000 -11.039 3.181) 11.488 1.082 ( 0.000 -1.421 1.054) 1.769 1.113 ( 0.000 4.360 4.457) 6.235 1.260 ( 0.000 5.641 3.115) 6.444 1.315 ( 0.000 1.110 7.396) 7.479 1.337 ( 0.000 -2.322 -3.054) 3.836 1.431 ( 0.000 -1.004 1.915) 2.162 1.518 ( 0.000 0.694 -0.232) 0.731 1.587 ( 0.000 -1.257 4.407) 4.583 1.669 ( 0.000 -7.142 -0.360) 7.151 1.686 ( 0.000 2.060 -4.047) 4.541 1.889 ( 0.000 -5.405 0.354) 5.416 1.988 ( 0.000 7.681 -5.861) 9.661 1.989 ( 0.000 11.482 -5.732) 12.833 2.316 ( 0.000 -2.716 -8.426) 8.853 2.331 ( 0.000 1.660 1.161) 2.025 2.562 ( 0.000 -4.786 0.605) 4.824 2.804 ( 0.000 -4.560 0.303) 4.571 3.134 ( 0.000 1.613 -1.657) 2.313 3.208 ( 0.000 0.544 3.221) 3.266 4.442 ( 0.000 0.455 3.056) 3.089 4.494 ( 0.000 -1.950 -0.265) 1.967 4.597 ( 0.000 3.201 -1.856) 3.700 4.776 ( 0.000 -2.424 -5.493) 6.004 4.880 ( 0.000 -2.613 3.331) 4.234 4.959 ( 0.000 -1.602 1.378) 2.113 5.118 ( 0.000 3.105 0.323) 3.122 5.135 ( 0.000 2.486 4.226) 4.903 5.235 ( 0.000 -1.677 1.194) 2.059 5.404 ( 0.000 6.386 -4.772) 7.972 5.633 ( 0.000 -1.233 -8.190) 8.283 5.697 ( 0.000 -2.357 -8.323) 8.650 6.162 ( 0.000 -0.297 1.622) 1.649 6.189 ( 0.000 0.286 0.750) 0.803 6.232 ( 0.000 -2.023 -0.291) 2.044 6.348 ( 0.000 3.237 -2.035) 3.824 6.569 ( 0.000 -3.912 2.420) 4.600 6.818 ( 0.000 4.485 -7.823) 9.017 8.011 ( 0.000 -2.717 12.000) 12.304 8.569 ( 0.000 0.611 -7.282) 7.307 9.152 ( 0.000 0.337 6.271) 6.280 9.520 ( 0.000 1.365 -3.535) 3.789 10.436 ( 0.000 1.041 0.666) 1.236 10.555 ( 0.000 -3.126 -1.267) 3.373 ======================= Grid point 144 (51/84) ======================= q-point: ( 0.08 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 6.918 0.600 10.584) 12.659 0.759 ( 8.506 0.483 8.697) 12.175 0.850 ( 8.634 -2.906 2.710) 9.505 0.917 ( 3.372 -5.846 2.715) 7.274 0.976 ( 5.462 -1.616 2.366) 6.167 1.094 ( 1.154 -0.857 0.577) 1.549 1.135 ( 2.488 2.788 2.276) 4.375 1.267 ( 1.113 4.796 3.261) 5.906 1.343 ( 1.813 -1.988 -0.436) 2.726 1.374 ( 2.995 -0.812 0.738) 3.190 1.480 ( 1.216 0.077 -1.038) 1.601 1.515 ( 0.244 -1.400 3.316) 3.608 1.608 ( 4.842 -3.970 3.287) 7.072 1.678 ( 2.840 6.274 -2.074) 7.192 1.752 ( 5.282 -4.001 -2.135) 6.962 1.902 ( 0.558 0.769 -5.038) 5.127 1.994 ( 5.600 2.248 2.139) 6.402 2.068 ( 4.837 8.812 -2.538) 10.368 2.295 ( 0.053 -1.455 -4.315) 4.554 2.410 ( 5.645 0.333 -3.766) 6.794 2.601 ( 4.228 -4.308 1.162) 6.147 2.812 ( 1.159 -4.459 0.663) 4.654 3.068 ( -6.077 2.058 -1.409) 6.569 3.140 ( -6.354 0.643 3.272) 7.176 4.551 ( 9.304 0.269 2.704) 9.693 4.581 ( 7.706 -1.514 -0.068) 7.854 4.694 ( 8.664 3.087 -0.257) 9.201 4.804 ( 1.652 0.597 0.541) 1.838 4.942 ( 0.153 -0.896 1.599) 1.839 4.994 ( 8.485 -4.474 -1.662) 9.735 5.081 ( -0.365 1.108 0.546) 1.288 5.176 ( 0.048 -1.074 1.230) 1.634 5.243 ( 3.583 2.105 1.045) 4.285 5.499 ( 6.579 3.753 -6.494) 9.977 5.686 ( 4.292 -1.591 -7.392) 8.695 5.710 ( 2.809 -1.138 -6.693) 7.347 6.148 ( -3.608 0.247 0.421) 3.641 6.222 ( 1.121 -1.068 -0.309) 1.579 6.301 ( 3.476 1.107 0.266) 3.658 6.420 ( 8.863 0.951 -0.617) 8.936 6.632 ( 8.157 -4.255 -1.222) 9.281 6.817 ( 2.463 4.205 -8.268) 9.598 7.959 ( -4.756 -1.999 12.407) 13.437 8.546 ( -2.214 0.515 -7.228) 7.577 9.141 ( -0.957 0.216 6.190) 6.268 9.504 ( -1.422 1.119 -3.501) 3.941 10.423 ( -1.173 0.769 0.713) 1.573 10.512 ( -3.756 -2.108 0.012) 4.307 ======================= Grid point 145 (52/84) ======================= q-point: ( 0.17 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 6.543 2.346 6.978) 9.849 0.894 ( 5.527 1.916 7.225) 9.296 0.984 ( 4.079 -3.080 3.533) 6.214 1.004 ( 4.565 -3.737 2.265) 6.319 1.092 ( 5.149 -1.047 -0.400) 5.269 1.118 ( 1.222 -0.376 -0.374) 1.332 1.223 ( 5.750 0.181 -0.983) 5.837 1.309 ( 3.338 3.081 3.141) 5.523 1.406 ( 4.038 -2.353 -0.298) 4.683 1.440 ( 3.733 0.456 0.965) 3.883 1.481 ( 0.952 -2.698 -0.489) 2.903 1.533 ( 1.937 -0.947 1.247) 2.491 1.676 ( 4.193 2.604 -3.285) 5.929 1.766 ( 2.846 -0.131 -4.824) 5.602 1.865 ( 2.873 3.788 -1.885) 5.114 1.975 ( 7.521 -1.654 -2.398) 8.066 2.100 ( 2.687 -1.702 2.779) 4.224 2.254 ( 8.104 0.448 -5.028) 9.548 2.340 ( 11.765 6.103 5.145) 14.218 2.552 ( 7.943 -0.258 -4.117) 8.951 2.725 ( 7.354 -4.391 2.067) 8.811 2.833 ( -1.728 -3.885 2.020) 4.708 2.940 ( -4.961 2.714 -0.913) 5.728 2.993 ( -5.608 1.040 2.481) 6.219 4.719 ( 3.891 0.329 0.913) 4.010 4.742 ( 7.850 -0.550 0.950) 7.927 4.832 ( 5.450 0.333 2.945) 6.204 4.880 ( 6.505 0.676 1.663) 6.748 5.010 ( 6.286 0.490 3.077) 7.016 5.095 ( 2.417 -1.037 -0.478) 2.674 5.125 ( 6.035 1.336 -1.040) 6.268 5.240 ( 4.530 0.939 -1.282) 4.801 5.330 ( 5.558 -2.377 1.616) 6.257 5.606 ( 4.470 -1.124 -7.777) 9.040 5.760 ( 4.254 1.653 -3.700) 5.875 5.823 ( 5.197 -1.771 -3.693) 6.617 6.047 ( -5.711 1.753 -0.226) 5.978 6.204 ( -1.398 -0.749 -5.265) 5.499 6.326 ( 0.234 0.674 0.905) 1.152 6.473 ( -4.573 -0.686 -2.097) 5.078 6.928 ( 19.515 -0.784 -2.280) 19.663 7.034 ( 16.697 1.042 -6.861) 18.081 7.856 ( -4.785 -1.042 12.037) 12.995 8.489 ( -3.331 0.354 -7.204) 7.945 9.120 ( -1.104 -0.041 6.001) 6.102 9.471 ( -1.752 0.727 -3.474) 3.958 10.394 ( -1.722 0.325 0.600) 1.852 10.432 ( -3.905 -0.834 1.044) 4.128 ======================= Grid point 146 (53/84) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 3.764 1.098 3.753) 5.427 1.001 ( 3.655 1.458 2.194) 4.505 1.037 ( 2.911 -0.194 3.533) 4.582 1.083 ( 2.806 -1.057 1.160) 3.216 1.133 ( 1.417 -0.581 -0.167) 1.541 1.172 ( 2.451 -0.570 -0.320) 2.536 1.316 ( 3.542 -2.052 -0.793) 4.170 1.397 ( 4.878 0.975 0.867) 5.050 1.469 ( 2.254 -1.307 0.486) 2.651 1.511 ( 3.632 0.011 0.968) 3.759 1.543 ( 4.134 -0.720 -0.224) 4.202 1.584 ( 3.076 -0.591 0.319) 3.148 1.787 ( 5.142 3.002 -5.281) 7.958 1.823 ( 3.854 0.194 -4.642) 6.037 1.934 ( 5.433 3.058 -1.227) 6.354 2.079 ( 1.591 -1.180 -3.285) 3.836 2.135 ( 2.891 -3.060 2.134) 4.720 2.300 ( 2.102 -0.094 1.040) 2.347 2.574 ( -8.095 -0.384 -0.485) 8.119 2.708 ( -6.971 -1.711 0.083) 7.178 2.756 ( 19.726 2.824 2.010) 20.028 2.797 ( 2.983 3.480 1.233) 4.746 2.992 ( 10.834 -2.114 1.430) 11.131 3.031 ( 5.662 -1.124 1.788) 6.043 4.744 ( -0.171 0.897 0.574) 1.078 4.791 ( -0.653 -0.842 -0.667) 1.257 4.986 ( 8.161 0.745 2.682) 8.623 5.043 ( 8.468 -1.383 2.175) 8.851 5.091 ( 2.994 -0.770 1.054) 3.266 5.178 ( 5.319 -0.376 0.788) 5.390 5.260 ( 4.830 2.039 1.584) 5.477 5.344 ( 6.714 1.882 -0.097) 6.974 5.445 ( 6.351 -0.147 0.076) 6.353 5.690 ( 3.143 -2.629 -4.659) 6.204 5.794 ( -2.250 1.361 0.028) 2.630 5.868 ( 0.318 -2.291 -0.500) 2.367 5.979 ( -0.186 1.774 -0.809) 1.959 6.201 ( 0.970 -0.379 -8.056) 8.123 6.347 ( -1.086 0.059 -3.033) 3.222 6.355 ( -2.110 0.095 -2.779) 3.491 7.249 ( 9.909 -1.749 1.247) 10.139 7.345 ( 13.738 2.099 -3.330) 14.291 7.806 ( 0.557 -0.778 8.376) 8.430 8.422 ( -3.245 0.254 -7.096) 7.807 9.101 ( -0.768 -0.287 5.840) 5.898 9.440 ( -1.383 0.527 -3.422) 3.728 10.358 ( -1.872 0.036 0.309) 1.898 10.364 ( -2.900 -0.219 0.770) 3.009 ======================= Grid point 147 (54/84) ======================= q-point: ( 0.33 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 1.980 -1.102 0.500) 2.321 1.050 ( 2.287 0.375 -0.112) 2.320 1.089 ( 1.522 1.100 1.471) 2.385 1.116 ( 1.348 0.995 0.167) 1.684 1.179 ( 2.758 -0.241 1.496) 3.147 1.215 ( 2.355 0.137 0.067) 2.360 1.383 ( 3.458 -3.208 -0.195) 4.721 1.475 ( 2.689 -1.043 -1.318) 3.171 1.509 ( 2.080 0.929 -0.714) 2.388 1.573 ( 2.483 -0.692 1.051) 2.784 1.616 ( 3.125 1.269 -1.722) 3.787 1.640 ( 1.969 0.462 0.511) 2.086 1.843 ( 1.905 0.482 -4.336) 4.760 1.895 ( 0.706 -0.148 -4.136) 4.199 2.073 ( 7.561 0.556 0.642) 7.609 2.094 ( 2.504 -0.992 -1.739) 3.206 2.210 ( 3.107 1.259 1.670) 3.746 2.343 ( -3.047 -4.632 4.108) 6.900 2.390 ( -3.411 4.943 -0.934) 6.078 2.547 ( -5.918 -1.596 2.552) 6.639 2.837 ( 0.373 2.939 3.505) 4.590 3.052 ( 3.494 -3.747 1.059) 5.231 3.156 ( 11.323 1.653 -1.043) 11.490 3.277 ( 15.502 -0.236 -0.771) 15.523 4.728 ( -1.251 0.232 -0.334) 1.315 4.765 ( -1.587 0.026 -1.539) 2.211 5.088 ( 1.302 -1.217 0.754) 1.935 5.151 ( 5.140 1.760 1.410) 5.613 5.216 ( 7.536 -2.002 2.041) 8.060 5.260 ( 2.492 -1.371 -1.422) 3.180 5.350 ( 4.321 2.708 2.937) 5.885 5.447 ( 4.780 -0.694 4.333) 6.489 5.592 ( 6.303 2.263 -0.828) 6.748 5.677 ( -3.029 -0.969 0.028) 3.180 5.752 ( -0.711 3.100 -2.164) 3.847 5.857 ( -1.231 -0.893 1.587) 2.198 6.011 ( 1.661 -2.274 -3.209) 4.269 6.174 ( -3.107 -3.601 -6.235) 7.842 6.340 ( 3.706 2.902 -2.789) 5.471 6.410 ( 3.523 0.133 -3.874) 5.238 7.322 ( -0.547 -0.592 7.084) 7.129 7.545 ( 6.160 0.890 -3.208) 7.002 7.864 ( 3.852 -0.450 3.235) 5.051 8.365 ( -2.514 0.175 -6.736) 7.192 9.089 ( -0.524 -0.474 5.737) 5.780 9.417 ( -0.919 0.492 -3.342) 3.501 10.313 ( -2.077 -0.085 0.511) 2.140 10.326 ( -1.480 0.013 -0.399) 1.533 ======================= Grid point 148 (55/84) ======================= q-point: ( 0.42 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 1.160 -0.371 -1.595) 2.006 1.072 ( 0.180 0.146 -2.784) 2.794 1.116 ( 0.970 -0.541 2.506) 2.741 1.138 ( 0.790 0.388 1.196) 1.485 1.241 ( 3.478 0.713 1.035) 3.698 1.261 ( 1.976 0.845 0.478) 2.201 1.454 ( 3.525 -3.049 -0.869) 4.741 1.508 ( 1.315 -0.621 -1.898) 2.391 1.548 ( 1.130 0.475 -1.622) 2.033 1.601 ( -0.441 0.506 0.021) 0.672 1.652 ( 1.617 0.845 -2.156) 2.824 1.669 ( 0.879 0.916 -1.149) 1.712 1.850 ( -2.838 -0.335 -2.469) 3.777 1.872 ( -0.325 -0.999 -2.621) 2.824 2.164 ( 2.146 0.444 2.097) 3.033 2.197 ( 3.790 -0.549 1.084) 3.980 2.202 ( -3.741 1.187 1.240) 4.116 2.244 ( 1.025 -0.285 1.030) 1.481 2.444 ( 3.216 0.581 3.153) 4.541 2.501 ( 0.524 -0.803 1.345) 1.652 2.813 ( -2.192 2.660 6.292) 7.174 3.055 ( -1.367 -6.256 4.318) 7.724 3.327 ( 5.592 6.081 -3.773) 9.082 3.552 ( 10.604 -2.346 -4.991) 11.952 4.701 ( -1.279 -0.544 -1.073) 1.756 4.738 ( -1.026 0.885 -2.344) 2.707 5.092 ( -0.230 -0.420 1.271) 1.359 5.231 ( 2.017 0.989 -0.927) 2.430 5.279 ( 1.167 -0.951 0.716) 1.667 5.350 ( 4.959 -2.439 1.360) 5.692 5.426 ( 3.069 2.304 3.118) 4.945 5.535 ( 3.486 -0.170 4.680) 5.838 5.596 ( -2.149 -0.399 2.663) 3.445 5.668 ( -0.727 -0.847 -1.900) 2.204 5.784 ( 3.459 5.880 -3.455) 7.647 5.835 ( -0.801 0.122 2.099) 2.250 6.001 ( -1.900 -0.052 -3.229) 3.747 6.135 ( -1.137 -7.172 -6.350) 9.646 6.426 ( 4.053 3.118 -1.331) 5.284 6.482 ( 3.277 -0.150 -2.307) 4.010 7.288 ( -1.928 -0.204 8.871) 9.081 7.607 ( 0.959 0.142 -3.841) 3.962 7.922 ( 1.821 0.026 0.893) 2.029 8.324 ( -1.520 0.094 -6.409) 6.588 9.080 ( -0.346 -0.596 5.656) 5.698 9.403 ( -0.487 0.519 -3.307) 3.382 10.281 ( -1.093 -0.030 0.176) 1.108 10.303 ( -0.858 -0.005 -0.791) 1.167 ======================= Grid point 149 (56/84) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.000 0.141 -2.533) 2.537 1.073 ( 0.000 0.072 -3.204) 3.204 1.124 ( 0.000 -0.840 2.921) 3.039 1.146 ( -0.000 -0.149 1.590) 1.597 1.277 ( 0.000 0.489 0.261) 0.554 1.292 ( 0.000 0.917 1.382) 1.659 1.494 ( -0.000 -1.654 -0.515) 1.732 1.531 ( 0.000 0.737 -2.863) 2.956 1.552 ( 0.000 0.745 -2.133) 2.259 1.580 ( 0.000 -1.278 -0.343) 1.323 1.671 ( 0.000 -0.283 -2.806) 2.821 1.685 ( 0.000 0.101 -2.712) 2.713 1.805 ( 0.000 1.955 -0.327) 1.982 1.866 ( 0.000 -0.933 -1.816) 2.042 2.143 ( 0.000 0.798 2.417) 2.546 2.196 ( 0.000 -0.367 1.368) 1.416 2.244 ( -0.000 -0.574 1.145) 1.281 2.266 ( 0.000 -0.397 2.434) 2.466 2.480 ( 0.000 0.585 3.330) 3.381 2.516 ( 0.000 -0.381 0.110) 0.396 2.784 ( 0.000 2.645 7.392) 7.851 3.036 ( 0.000 -7.359 5.517) 9.198 3.381 ( 0.000 8.215 -4.461) 9.348 3.661 ( -0.000 -3.426 -6.730) 7.551 4.687 ( 0.000 -0.740 -1.379) 1.565 4.728 ( 0.000 1.083 -2.631) 2.845 5.089 ( 0.000 -0.102 1.527) 1.530 5.243 ( 0.000 0.213 -2.019) 2.031 5.298 ( 0.000 -0.557 1.905) 1.985 5.403 ( 0.000 -1.899 2.339) 3.012 5.459 ( 0.000 1.600 2.220) 2.737 5.559 ( 0.000 0.559 0.053) 0.561 5.586 ( 0.000 -1.212 7.599) 7.695 5.652 ( 0.000 -0.179 -2.492) 2.498 5.825 ( 0.000 -0.397 2.299) 2.333 5.828 ( 0.000 6.393 -4.123) 7.608 5.976 ( 0.000 0.048 -2.615) 2.615 6.122 ( 0.000 -6.971 -6.137) 9.288 6.471 ( 0.000 2.558 -0.681) 2.647 6.518 ( 0.000 -0.225 -1.800) 1.814 7.267 ( 0.000 -0.127 9.123) 9.123 7.612 ( 0.000 -0.063 -4.150) 4.150 7.939 ( 0.000 0.186 0.181) 0.260 8.308 ( 0.000 0.060 -6.321) 6.321 9.076 ( 0.000 -0.639 5.621) 5.657 9.398 ( 0.000 0.537 -3.305) 3.348 10.270 ( 0.000 -0.020 0.060) 0.063 10.294 ( 0.000 -0.007 -0.932) 0.932 ======================= Grid point 156 (57/84) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 0.000 0.000 3.628) 3.628 0.652 ( 0.000 0.000 9.520) 9.520 0.703 ( 0.000 0.000 3.964) 3.964 0.765 ( 0.000 -0.000 10.139) 10.139 0.932 ( 0.000 0.000 2.872) 2.872 1.063 ( 0.000 0.000 2.578) 2.578 1.160 ( 0.000 0.000 -0.610) 0.610 1.310 ( 0.000 0.000 -2.423) 2.423 1.329 ( 0.000 0.000 8.856) 8.856 1.358 ( 0.000 -0.000 2.716) 2.716 1.374 ( 0.000 0.000 4.852) 4.852 1.531 ( 0.000 0.000 -0.265) 0.265 1.554 ( 0.000 0.000 2.257) 2.257 1.598 ( 0.000 0.000 -1.646) 1.646 1.774 ( 0.000 -0.000 1.620) 1.620 1.790 ( 0.000 0.000 -2.132) 2.132 2.070 ( 0.000 0.000 -5.984) 5.984 2.199 ( 0.000 -0.000 -6.899) 6.899 2.211 ( 0.000 0.000 -3.088) 3.088 2.279 ( 0.000 0.000 -8.208) 8.208 2.605 ( 0.000 0.000 3.367) 3.367 2.699 ( 0.000 0.000 5.208) 5.208 3.179 ( 0.000 0.000 -1.331) 1.331 3.189 ( 0.000 -0.000 0.179) 0.179 4.449 ( 0.000 0.000 1.312) 1.312 4.473 ( 0.000 0.000 1.557) 1.557 4.634 ( 0.000 0.000 -1.277) 1.277 4.744 ( 0.000 0.000 -5.573) 5.573 4.858 ( 0.000 0.000 3.423) 3.423 4.941 ( 0.000 0.000 1.252) 1.252 5.149 ( 0.000 0.000 0.046) 0.046 5.173 ( 0.000 0.000 3.193) 3.193 5.206 ( 0.000 -0.000 1.626) 1.626 5.476 ( 0.000 0.000 -6.366) 6.366 5.635 ( 0.000 0.000 -8.882) 8.882 5.651 ( 0.000 0.000 -6.904) 6.904 6.159 ( 0.000 0.000 1.709) 1.709 6.192 ( 0.000 0.000 0.683) 0.683 6.214 ( 0.000 0.000 0.408) 0.408 6.382 ( 0.000 0.000 -1.903) 1.903 6.528 ( 0.000 0.000 3.053) 3.053 6.862 ( 0.000 0.000 -9.939) 9.939 7.982 ( 0.000 0.000 13.814) 13.814 8.575 ( 0.000 0.000 -7.720) 7.720 9.156 ( 0.000 0.000 6.327) 6.327 9.534 ( 0.000 0.000 -3.586) 3.586 10.453 ( 0.000 0.000 -0.959) 0.959 10.515 ( 0.000 0.000 0.828) 0.828 ======================= Grid point 158 (58/84) ======================= q-point: ( 0.08 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 7.799 0.000 8.189) 11.309 0.781 ( 9.649 0.000 3.142) 10.148 0.797 ( 6.212 -0.000 6.272) 8.827 0.822 ( 6.709 -0.000 6.363) 9.246 0.986 ( 4.471 0.000 1.330) 4.664 1.082 ( 1.684 0.000 1.265) 2.106 1.169 ( 1.398 0.000 -0.383) 1.449 1.314 ( 0.739 0.000 -0.355) 0.820 1.330 ( 1.299 -0.000 1.610) 2.068 1.380 ( 1.263 0.000 3.422) 3.648 1.432 ( 2.963 0.000 5.387) 6.148 1.503 ( -1.479 0.000 -0.921) 1.742 1.598 ( 5.734 0.000 2.592) 6.293 1.696 ( 5.383 0.000 -3.834) 6.609 1.798 ( 3.599 -0.000 1.670) 3.967 1.827 ( 5.361 0.000 -1.060) 5.465 2.077 ( 0.759 -0.000 -5.026) 5.083 2.166 ( -0.177 0.000 -7.605) 7.607 2.277 ( 6.747 0.000 -1.001) 6.820 2.354 ( 4.841 0.000 -2.671) 5.530 2.622 ( 1.887 0.000 2.896) 3.457 2.722 ( 2.791 0.000 3.108) 4.177 3.117 ( -5.929 0.000 -1.127) 6.035 3.124 ( -5.992 -0.000 0.352) 6.002 4.560 ( 9.184 -0.000 1.092) 9.248 4.561 ( 7.987 0.000 1.466) 8.121 4.730 ( 8.288 0.000 -0.053) 8.288 4.812 ( 1.988 0.000 0.773) 2.133 4.919 ( 8.501 0.000 -1.696) 8.669 4.953 ( 1.815 0.000 1.835) 2.580 5.109 ( -1.094 0.000 0.048) 1.095 5.151 ( -0.588 -0.000 1.765) 1.860 5.265 ( 3.190 0.000 0.491) 3.227 5.540 ( 3.791 0.000 -8.162) 9.000 5.674 ( 4.887 0.000 -6.601) 8.213 5.689 ( 3.990 -0.000 -5.890) 7.114 6.151 ( -3.303 0.000 1.035) 3.461 6.210 ( 1.430 0.000 -0.207) 1.445 6.314 ( 4.985 0.000 0.718) 5.037 6.431 ( 5.709 0.000 -1.489) 5.900 6.590 ( 9.648 0.000 0.055) 9.648 6.857 ( 1.580 0.000 -9.843) 9.969 7.937 ( -4.151 0.000 13.731) 14.345 8.551 ( -2.286 0.000 -7.580) 7.917 9.144 ( -1.083 0.000 6.250) 6.343 9.516 ( -1.632 0.000 -3.553) 3.910 10.436 ( -1.581 0.000 -0.436) 1.640 10.484 ( -2.771 0.000 1.192) 3.017 ======================= Grid point 160 (59/84) ======================= q-point: ( 0.17 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 8.486 0.000 6.390) 10.623 0.921 ( 5.028 -0.000 3.621) 6.196 0.930 ( 5.065 0.000 3.489) 6.150 0.946 ( 5.552 -0.000 6.295) 8.394 1.084 ( 4.862 -0.000 -1.341) 5.044 1.115 ( 1.309 0.000 -0.388) 1.365 1.225 ( 3.934 0.000 -1.145) 4.098 1.348 ( 2.565 0.000 2.314) 3.455 1.378 ( 3.331 -0.000 0.901) 3.451 1.428 ( 3.461 0.000 1.810) 3.906 1.480 ( 3.148 -0.000 0.700) 3.225 1.505 ( 1.959 0.000 -1.192) 2.294 1.710 ( 5.130 -0.000 0.253) 5.136 1.757 ( 2.627 0.000 -6.106) 6.647 1.931 ( 7.737 0.000 -0.273) 7.742 1.939 ( 3.220 -0.000 -4.622) 5.633 2.090 ( 0.507 0.000 -0.481) 0.699 2.231 ( 4.431 0.000 -1.906) 4.823 2.486 ( 11.265 -0.000 2.000) 11.441 2.488 ( 13.883 0.000 -0.334) 13.887 2.680 ( 3.645 0.000 3.860) 5.309 2.789 ( 1.215 0.000 -0.079) 1.217 2.985 ( -4.876 0.000 -0.142) 4.878 2.986 ( -6.671 -0.000 0.473) 6.688 4.723 ( 5.213 0.000 1.007) 5.309 4.736 ( 7.102 0.000 0.371) 7.112 4.839 ( 3.580 0.000 4.203) 5.521 4.884 ( 7.345 0.000 1.255) 7.451 5.015 ( 3.127 0.000 3.087) 4.394 5.075 ( 4.959 0.000 -0.063) 4.959 5.174 ( 8.220 0.000 -0.653) 8.246 5.215 ( 7.215 0.000 -1.430) 7.356 5.315 ( 2.716 0.000 0.543) 2.770 5.593 ( 2.494 0.000 -8.689) 9.039 5.789 ( 4.852 0.000 -3.917) 6.236 5.794 ( 4.891 -0.000 -2.594) 5.536 6.068 ( -4.637 0.000 -0.053) 4.637 6.192 ( -1.354 0.000 -3.801) 4.035 6.335 ( -0.531 0.000 -0.082) 0.538 6.465 ( -4.041 0.000 -2.244) 4.622 6.920 ( 19.524 0.000 -2.221) 19.650 7.045 ( 16.418 0.000 -7.120) 17.895 7.844 ( -4.451 0.000 12.837) 13.587 8.493 ( -3.399 0.000 -7.396) 8.139 9.119 ( -1.255 0.000 6.066) 6.195 9.479 ( -1.920 0.000 -3.513) 4.003 10.399 ( -2.011 0.000 0.120) 2.014 10.421 ( -3.323 0.000 1.374) 3.596 ======================= Grid point 162 (60/84) ======================= q-point: ( 0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 1.322 -0.000 3.370) 3.620 0.998 ( 3.103 0.000 2.829) 4.199 1.052 ( 4.767 0.000 3.302) 5.799 1.064 ( 5.044 -0.000 2.156) 5.485 1.136 ( 1.260 0.000 -0.008) 1.260 1.156 ( 2.580 -0.000 -1.601) 3.037 1.296 ( 3.071 0.000 -1.149) 3.279 1.405 ( 3.046 0.000 1.372) 3.341 1.453 ( 3.865 0.000 0.888) 3.965 1.505 ( 3.653 0.000 1.871) 4.104 1.557 ( 4.278 -0.000 -0.358) 4.293 1.566 ( 3.834 0.000 -1.481) 4.110 1.821 ( 3.298 -0.000 -7.285) 7.996 1.824 ( 5.897 0.000 -2.462) 6.390 1.987 ( 3.039 0.000 -3.554) 4.676 2.023 ( 1.345 -0.000 -5.021) 5.198 2.141 ( 5.542 0.000 6.147) 8.277 2.274 ( 0.876 0.000 3.773) 3.873 2.599 ( -5.368 0.000 -0.663) 5.408 2.669 ( -9.267 0.000 -2.443) 9.584 2.800 ( 16.625 -0.000 0.853) 16.647 2.823 ( 7.382 0.000 1.129) 7.467 2.978 ( 10.312 0.000 2.981) 10.734 3.008 ( 4.338 -0.000 1.838) 4.711 4.758 ( -0.501 0.000 0.538) 0.735 4.778 ( -0.195 0.000 -0.560) 0.593 5.000 ( 9.729 0.000 3.583) 10.368 5.019 ( 4.905 0.000 1.030) 5.012 5.091 ( 5.031 0.000 2.158) 5.474 5.165 ( 4.778 0.000 0.412) 4.796 5.303 ( 4.446 0.000 3.053) 5.393 5.341 ( 4.329 -0.000 -0.784) 4.399 5.453 ( 10.444 0.000 -0.278) 10.447 5.658 ( 3.459 0.000 -6.125) 7.034 5.818 ( -1.667 0.000 0.616) 1.777 5.834 ( -0.287 0.000 -1.606) 1.631 5.998 ( -2.139 0.000 -0.236) 2.152 6.196 ( 0.833 0.000 -7.298) 7.345 6.350 ( 2.248 0.000 -3.959) 4.553 6.355 ( -4.567 0.000 -2.088) 5.022 7.232 ( 10.116 0.000 1.743) 10.265 7.365 ( 13.715 0.000 -4.445) 14.417 7.798 ( 0.591 0.000 9.188) 9.207 8.425 ( -3.286 0.000 -7.191) 7.907 9.098 ( -0.891 0.000 5.916) 5.983 9.445 ( -1.439 0.000 -3.453) 3.741 10.360 ( -2.801 0.000 1.007) 2.977 10.360 ( -1.869 -0.000 0.014) 1.869 ======================= Grid point 164 (61/84) ======================= q-point: ( 0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 1.695 0.000 0.748) 1.852 1.054 ( 2.192 0.000 -0.191) 2.200 1.096 ( 0.758 0.000 1.328) 1.529 1.127 ( 1.512 0.000 0.379) 1.559 1.186 ( 3.585 0.000 2.109) 4.159 1.206 ( 2.754 0.000 -0.020) 2.754 1.356 ( 3.141 0.000 -0.912) 3.270 1.459 ( 2.198 0.000 -0.940) 2.391 1.517 ( 2.556 0.000 -0.491) 2.603 1.568 ( 3.048 0.000 0.706) 3.129 1.634 ( 2.406 -0.000 -1.834) 3.025 1.638 ( 3.520 0.000 0.621) 3.574 1.858 ( 0.425 0.000 -5.670) 5.686 1.883 ( -0.428 -0.000 -4.695) 4.714 2.082 ( 5.442 0.000 0.155) 5.444 2.083 ( 5.988 -0.000 0.330) 5.998 2.247 ( 3.241 0.000 3.068) 4.463 2.274 ( -1.662 -0.000 3.247) 3.648 2.462 ( -5.374 0.000 0.859) 5.443 2.507 ( -4.870 0.000 -0.380) 4.885 2.877 ( 0.126 0.000 2.916) 2.919 3.007 ( 1.598 0.000 2.666) 3.108 3.171 ( 13.229 0.000 -1.158) 13.279 3.275 ( 15.120 0.000 -0.903) 15.147 4.731 ( -1.827 0.000 -0.199) 1.838 4.766 ( -0.922 0.000 -1.688) 1.923 5.076 ( 1.299 0.000 0.708) 1.480 5.179 ( 8.036 0.000 1.842) 8.244 5.187 ( 4.486 -0.000 1.566) 4.751 5.243 ( 2.441 0.000 -1.415) 2.822 5.405 ( 3.086 0.000 2.964) 4.279 5.410 ( 6.013 -0.000 5.391) 8.076 5.625 ( 5.412 0.000 -1.152) 5.533 5.659 ( -3.143 0.000 -0.527) 3.186 5.816 ( 1.323 0.000 -0.030) 1.324 5.824 ( 0.765 0.000 -1.801) 1.957 5.978 ( 0.261 0.000 -2.860) 2.872 6.142 ( -5.260 0.000 -5.297) 7.465 6.367 ( 4.421 0.000 -3.014) 5.351 6.411 ( 3.495 0.000 -3.797) 5.161 7.315 ( -0.169 0.000 7.155) 7.157 7.554 ( 5.563 0.000 -3.670) 6.664 7.859 ( 4.169 0.000 3.632) 5.530 8.367 ( -2.561 0.000 -6.800) 7.266 9.083 ( -0.611 0.000 5.828) 5.860 9.422 ( -0.914 0.000 -3.378) 3.499 10.312 ( -2.023 0.000 0.529) 2.091 10.327 ( -1.499 0.000 -0.417) 1.556 ======================= Grid point 166 (62/84) ======================= q-point: ( 0.42 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 1.714 0.000 -1.990) 2.626 1.072 ( 0.037 0.000 -2.781) 2.781 1.111 ( 0.573 0.000 2.818) 2.876 1.141 ( 0.238 0.000 0.712) 0.751 1.258 ( 2.228 -0.000 0.308) 2.249 1.263 ( 3.556 0.000 1.703) 3.943 1.424 ( 3.734 0.000 -0.397) 3.756 1.499 ( 2.234 0.000 -1.386) 2.629 1.552 ( 0.853 0.000 -1.397) 1.637 1.609 ( -0.412 0.000 -0.815) 0.913 1.660 ( 1.398 0.000 -2.863) 3.186 1.676 ( 0.166 -0.000 -0.586) 0.609 1.851 ( -0.885 0.000 -2.116) 2.294 1.856 ( -1.273 -0.000 -2.904) 3.171 2.169 ( 0.614 -0.000 2.250) 2.332 2.190 ( 4.343 0.000 1.059) 4.470 2.224 ( -3.182 -0.000 0.802) 3.281 2.233 ( 0.594 0.000 1.470) 1.586 2.454 ( 2.650 0.000 3.034) 4.028 2.489 ( 1.405 0.000 0.895) 1.665 2.852 ( -2.107 0.000 5.206) 5.616 2.984 ( -2.458 0.000 5.637) 6.150 3.395 ( 8.313 0.000 -4.078) 9.259 3.517 ( 8.799 -0.000 -4.679) 9.966 4.696 ( -1.475 0.000 -0.949) 1.754 4.747 ( -0.818 0.000 -2.663) 2.786 5.087 ( 0.117 0.000 1.210) 1.215 5.250 ( -0.177 0.000 -2.288) 2.295 5.263 ( 2.925 0.000 1.354) 3.223 5.321 ( 5.063 0.000 1.195) 5.202 5.467 ( 2.743 0.000 5.364) 6.024 5.514 ( 4.014 0.000 5.933) 7.163 5.595 ( -2.682 0.000 0.193) 2.689 5.660 ( -0.441 0.000 -1.758) 1.812 5.825 ( -0.256 0.000 2.223) 2.238 5.881 ( 3.846 0.000 -2.848) 4.786 5.997 ( 0.988 0.000 -5.992) 6.073 6.042 ( -4.537 -0.000 -3.809) 5.924 6.461 ( 4.162 0.000 -2.303) 4.756 6.476 ( 2.782 0.000 -1.881) 3.358 7.286 ( -1.833 0.000 8.914) 9.101 7.608 ( 0.716 0.000 -3.936) 4.001 7.922 ( 2.007 0.000 0.921) 2.209 8.325 ( -1.557 0.000 -6.473) 6.658 9.073 ( -0.394 0.000 5.760) 5.774 9.409 ( -0.471 0.000 -3.347) 3.380 10.281 ( -1.079 0.000 0.202) 1.098 10.303 ( -0.861 0.000 -0.795) 1.172 ======================= Grid point 168 (63/84) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.000 0.000 -3.229) 3.229 1.071 ( 0.000 0.000 -3.162) 3.162 1.116 ( 0.000 0.000 3.135) 3.135 1.143 ( 0.000 0.000 1.217) 1.217 1.283 ( 0.000 0.000 0.037) 0.037 1.301 ( 0.000 0.000 1.125) 1.125 1.479 ( -0.000 0.000 0.843) 0.843 1.550 ( 0.000 -0.000 -1.898) 1.898 1.555 ( -0.000 0.000 -0.761) 0.761 1.558 ( 0.000 0.000 -1.857) 1.857 1.669 ( 0.000 0.000 -2.273) 2.273 1.685 ( 0.000 0.000 -3.146) 3.146 1.838 ( 0.000 -0.000 -1.036) 1.036 1.845 ( 0.000 0.000 -1.994) 1.994 2.157 ( 0.000 -0.000 1.775) 1.775 2.183 ( 0.000 0.000 1.141) 1.141 2.241 ( -0.000 0.000 1.055) 1.055 2.260 ( 0.000 0.000 3.024) 3.024 2.488 ( 0.000 0.000 3.344) 3.344 2.509 ( 0.000 0.000 0.305) 0.305 2.824 ( 0.000 -0.000 6.148) 6.148 2.952 ( 0.000 0.000 6.776) 6.776 3.480 ( 0.000 0.000 -5.003) 5.003 3.606 ( -0.000 -0.000 -6.228) 6.228 4.680 ( 0.000 0.000 -1.259) 1.259 4.738 ( 0.000 0.000 -3.028) 3.028 5.088 ( 0.000 0.000 1.442) 1.442 5.245 ( 0.000 0.000 -1.940) 1.940 5.293 ( 0.000 0.000 1.286) 1.286 5.375 ( 0.000 0.000 1.122) 1.122 5.497 ( 0.000 0.000 5.771) 5.771 5.556 ( 0.000 0.000 6.485) 6.485 5.566 ( 0.000 0.000 -0.154) 0.154 5.650 ( 0.000 0.000 -2.495) 2.495 5.820 ( 0.000 0.000 2.502) 2.502 5.940 ( -0.000 0.000 -3.828) 3.828 5.976 ( 0.000 0.000 -2.616) 2.616 6.006 ( 0.000 -0.000 -6.263) 6.263 6.506 ( 0.000 -1.168 -1.663) 2.033 6.506 ( 0.000 1.168 -1.301) 1.749 7.265 ( 0.000 0.000 9.164) 9.164 7.611 ( 0.000 0.000 -4.152) 4.152 7.941 ( 0.000 0.000 0.114) 0.114 8.309 ( 0.000 0.000 -6.388) 6.388 9.069 ( 0.000 0.000 5.730) 5.730 9.404 ( 0.000 0.000 -3.347) 3.347 10.270 ( 0.000 0.000 0.091) 0.091 10.294 ( 0.000 0.000 -0.936) 0.936 ======================= Grid point 195 (64/84) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 0.000 0.000 3.823) 3.823 0.749 ( 0.000 0.000 -1.552) 1.552 0.989 ( 0.000 0.000 10.145) 10.145 1.003 ( 0.000 0.000 6.565) 6.565 1.069 ( 0.000 0.000 -0.036) 0.036 1.084 ( 0.000 0.000 -1.839) 1.839 1.107 ( 0.000 0.000 1.494) 1.494 1.209 ( 0.000 0.000 -2.350) 2.350 1.291 ( 0.000 0.000 -0.505) 0.505 1.391 ( 0.000 0.000 -5.719) 5.719 1.443 ( 0.000 0.000 8.220) 8.220 1.514 ( 0.000 0.000 0.553) 0.553 1.548 ( 0.000 0.000 -1.632) 1.632 1.639 ( 0.000 0.000 -11.429) 11.429 1.764 ( 0.000 0.000 1.808) 1.808 1.785 ( 0.000 0.000 -1.292) 1.292 1.941 ( 0.000 0.000 9.739) 9.739 2.095 ( 0.000 0.000 14.960) 14.960 2.148 ( 0.000 0.000 -10.795) 10.795 2.339 ( 0.000 0.000 -2.683) 2.683 2.599 ( 0.000 0.000 -5.901) 5.901 2.647 ( 0.000 0.000 -4.892) 4.892 3.206 ( 0.000 0.000 4.171) 4.171 3.250 ( 0.000 0.000 0.499) 0.499 4.494 ( 0.000 0.000 0.741) 0.741 4.505 ( 0.000 0.000 -0.848) 0.848 4.566 ( 0.000 0.000 4.459) 4.459 4.679 ( 0.000 0.000 -6.314) 6.314 4.959 ( 0.000 0.000 1.510) 1.510 4.982 ( 0.000 0.000 -0.663) 0.663 5.141 ( 0.000 0.000 4.726) 4.726 5.199 ( 0.000 0.000 3.652) 3.652 5.245 ( 0.000 0.000 -5.402) 5.402 5.248 ( 0.000 0.000 -1.288) 1.288 5.546 ( 0.000 0.000 -1.637) 1.637 5.580 ( 0.000 0.000 -4.791) 4.791 6.190 ( 0.000 0.000 0.855) 0.855 6.197 ( 0.000 0.000 0.182) 0.182 6.249 ( 0.000 0.000 -0.482) 0.482 6.261 ( 0.000 0.000 -1.406) 1.406 6.642 ( 0.000 0.000 1.150) 1.150 6.679 ( 0.000 0.000 -2.856) 2.856 8.236 ( 0.000 0.000 9.572) 9.572 8.413 ( 0.000 0.000 -8.373) 8.373 9.279 ( 0.000 0.000 6.917) 6.917 9.409 ( 0.000 0.000 -6.043) 6.043 10.470 ( 0.000 0.000 2.814) 2.814 10.530 ( 0.000 0.000 -3.122) 3.122 ======================= Grid point 196 (65/84) ======================= q-point: ( 0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 9.334 0.000 3.290) 9.896 0.856 ( 8.412 0.000 -0.682) 8.440 1.013 ( 2.213 0.000 7.350) 7.676 1.021 ( 1.579 0.000 4.436) 4.708 1.082 ( 1.215 0.000 -0.177) 1.228 1.083 ( 0.407 0.000 -1.328) 1.389 1.147 ( 3.737 0.000 3.280) 4.972 1.249 ( 2.671 0.000 0.727) 2.768 1.301 ( 3.576 0.000 -3.708) 5.151 1.387 ( 0.834 0.000 -5.689) 5.750 1.489 ( -1.390 0.000 -0.047) 1.391 1.490 ( 0.038 0.000 2.481) 2.481 1.595 ( 5.115 0.000 3.252) 6.061 1.695 ( 1.264 0.000 -4.041) 4.234 1.780 ( 2.561 0.000 0.945) 2.730 1.837 ( 6.445 0.000 -6.025) 8.823 1.922 ( 2.408 0.000 10.270) 10.548 2.146 ( 0.694 0.000 -11.181) 11.203 2.225 ( 9.983 0.000 12.590) 16.068 2.379 ( 3.544 0.000 0.213) 3.550 2.650 ( 5.384 0.000 -6.821) 8.690 2.660 ( 1.798 0.000 -4.261) 4.625 3.142 ( -5.974 0.000 4.166) 7.283 3.184 ( -6.341 0.000 0.617) 6.371 4.587 ( 8.328 0.000 0.459) 8.341 4.592 ( 7.840 0.000 -0.362) 7.848 4.694 ( 10.919 0.000 4.168) 11.687 4.775 ( 6.446 0.000 -3.125) 7.163 4.976 ( 0.101 0.000 1.011) 1.016 5.001 ( 4.897 0.000 -1.956) 5.273 5.102 ( -0.598 0.000 2.524) 2.594 5.153 ( -2.772 0.000 -2.250) 3.570 5.296 ( 6.233 0.000 3.802) 7.301 5.368 ( 5.779 0.000 -3.831) 6.933 5.599 ( 5.663 0.000 -3.110) 6.461 5.602 ( 2.582 0.000 -3.295) 4.186 6.147 ( -4.334 0.000 0.508) 4.364 6.176 ( -3.233 0.000 -2.618) 4.160 6.348 ( 7.626 0.000 3.399) 8.349 6.398 ( 10.732 0.000 -1.524) 10.839 6.660 ( 4.674 0.000 -1.354) 4.867 6.665 ( 1.005 0.000 -2.023) 2.259 8.194 ( -3.928 0.000 10.459) 11.172 8.385 ( -2.658 0.000 -8.899) 9.287 9.269 ( -0.981 0.000 6.845) 6.915 9.397 ( -1.119 0.000 -5.983) 6.087 10.454 ( -1.532 0.000 2.372) 2.824 10.502 ( -2.606 0.000 -2.267) 3.454 ======================= Grid point 197 (66/84) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 4.420 0.000 4.556) 6.348 0.988 ( 4.159 0.000 2.266) 4.736 1.052 ( 1.360 0.000 1.266) 1.858 1.073 ( 3.198 0.000 2.773) 4.232 1.094 ( 0.951 0.000 -1.864) 2.092 1.120 ( 2.656 0.000 -0.614) 2.726 1.247 ( 5.604 0.000 3.385) 6.547 1.298 ( 3.251 0.000 -0.546) 3.297 1.434 ( 6.112 0.000 -0.520) 6.134 1.451 ( 4.573 0.000 -1.470) 4.803 1.484 ( 1.909 0.000 -1.003) 2.156 1.505 ( 4.295 0.000 -2.717) 5.082 1.637 ( 0.321 0.000 4.262) 4.274 1.696 ( 0.304 0.000 -2.131) 2.153 1.827 ( 2.532 0.000 2.484) 3.547 1.947 ( 3.343 0.000 -8.156) 8.814 2.104 ( 11.228 0.000 3.609) 11.794 2.184 ( 1.983 0.000 -3.353) 3.896 2.449 ( 13.205 0.000 7.277) 15.078 2.501 ( 9.474 0.000 -0.828) 9.510 2.724 ( 3.191 0.000 -0.880) 3.311 2.791 ( 7.199 0.000 -5.890) 9.301 3.009 ( -5.303 0.000 3.247) 6.218 3.028 ( -7.853 0.000 1.437) 7.983 4.737 ( 4.002 0.000 1.107) 4.152 4.754 ( 5.643 0.000 -0.503) 5.665 4.876 ( 7.166 0.000 1.845) 7.399 4.890 ( 7.876 0.000 0.338) 7.883 5.042 ( 6.293 0.000 1.825) 6.552 5.079 ( 1.330 0.000 -1.732) 2.183 5.154 ( 6.469 0.000 2.163) 6.821 5.188 ( 5.515 0.000 -1.426) 5.696 5.404 ( 4.679 0.000 2.700) 5.402 5.488 ( 6.937 0.000 -5.907) 9.111 5.699 ( 7.091 0.000 0.404) 7.103 5.752 ( 8.586 0.000 -4.369) 9.634 6.034 ( -6.498 0.000 1.306) 6.628 6.090 ( -4.757 0.000 -4.626) 6.635 6.378 ( -3.291 0.000 3.251) 4.626 6.436 ( -5.254 0.000 -2.592) 5.859 6.909 ( 20.177 0.000 -0.412) 20.181 6.930 ( 19.311 0.000 -2.756) 19.507 8.100 ( -4.950 0.000 11.934) 12.920 8.318 ( -3.812 0.000 -9.953) 10.658 9.246 ( -1.166 0.000 6.647) 6.749 9.371 ( -1.425 0.000 -5.792) 5.964 10.414 ( -2.352 0.000 1.419) 2.747 10.439 ( -3.434 0.000 -0.892) 3.548 ======================= Grid point 198 (67/84) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 1.175 0.000 3.686) 3.869 1.038 ( 1.132 0.000 1.789) 2.117 1.073 ( 1.001 0.000 0.388) 1.073 1.086 ( 0.230 0.000 -1.306) 1.326 1.155 ( 3.178 0.000 1.050) 3.347 1.172 ( 2.284 0.000 -0.442) 2.326 1.355 ( 5.527 0.000 1.360) 5.691 1.378 ( 4.460 0.000 -0.586) 4.498 1.481 ( 0.368 0.000 -0.421) 0.559 1.484 ( 1.416 0.000 -0.950) 1.705 1.585 ( 4.417 0.000 1.019) 4.533 1.621 ( 1.469 0.000 -1.268) 1.940 1.687 ( 7.193 0.000 1.771) 7.408 1.747 ( 5.135 0.000 -2.822) 5.859 1.916 ( 6.707 0.000 1.566) 6.888 1.993 ( 2.192 0.000 -6.525) 6.883 2.211 ( 1.259 0.000 2.983) 3.238 2.253 ( 4.414 0.000 -1.042) 4.535 2.629 ( -6.153 0.000 1.432) 6.318 2.677 ( 2.017 0.000 -3.184) 3.769 2.784 ( 13.468 0.000 2.702) 13.737 2.801 ( -0.381 0.000 1.574) 1.620 3.037 ( 7.548 0.000 0.755) 7.586 3.049 ( 8.102 0.000 -0.198) 8.105 4.753 ( -0.946 0.000 1.177) 1.510 4.779 ( -1.299 0.000 -1.288) 1.830 5.027 ( 7.087 0.000 2.364) 7.471 5.070 ( 7.186 0.000 -1.703) 7.385 5.122 ( 4.426 0.000 2.629) 5.148 5.168 ( 6.123 0.000 -1.674) 6.348 5.281 ( 4.261 0.000 1.393) 4.483 5.307 ( 7.314 0.000 -0.709) 7.349 5.508 ( 6.256 0.000 5.313) 8.208 5.624 ( 5.554 0.000 -5.729) 7.980 5.816 ( 0.763 0.000 3.390) 3.475 5.879 ( 2.552 0.000 -2.044) 3.269 5.942 ( 0.449 0.000 0.924) 1.027 6.026 ( -0.440 0.000 -7.879) 7.891 6.311 ( -1.851 0.000 -0.477) 1.911 6.320 ( -4.840 0.000 -1.119) 4.967 7.273 ( 13.315 0.000 -0.363) 13.320 7.279 ( 15.255 0.000 -1.031) 15.290 8.020 ( -2.761 0.000 11.982) 12.296 8.246 ( -3.165 0.000 -10.509) 10.976 9.226 ( -0.832 0.000 6.396) 6.450 9.345 ( -1.118 0.000 -5.504) 5.616 10.366 ( -2.432 0.000 0.512) 2.485 10.373 ( -3.088 0.000 -0.111) 3.090 ======================= Grid point 199 (68/84) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.102 0.000 0.562) 0.571 1.038 ( -0.563 0.000 -0.678) 0.881 1.109 ( 2.812 0.000 1.060) 3.005 1.112 ( 2.269 0.000 0.469) 2.317 1.205 ( 2.175 0.000 0.565) 2.247 1.209 ( 1.644 0.000 -0.017) 1.644 1.444 ( 1.641 0.000 0.633) 1.759 1.461 ( 4.184 0.000 0.060) 4.185 1.483 ( 0.513 0.000 0.016) 0.514 1.527 ( 3.193 0.000 -3.282) 4.580 1.632 ( 0.174 0.000 1.089) 1.103 1.636 ( 1.193 0.000 0.273) 1.224 1.802 ( 3.656 0.000 -0.487) 3.688 1.829 ( 1.506 0.000 -2.738) 3.125 2.074 ( 6.430 0.000 -0.191) 6.433 2.077 ( 8.562 0.000 0.075) 8.562 2.237 ( 0.940 0.000 2.376) 2.555 2.290 ( -1.480 0.000 -2.908) 3.263 2.490 ( -3.800 0.000 5.143) 6.394 2.573 ( -5.555 0.000 -2.567) 6.120 2.897 ( 4.217 0.000 5.867) 7.225 3.017 ( 7.594 0.000 -5.773) 9.539 3.187 ( 6.754 0.000 3.836) 7.767 3.250 ( 11.350 0.000 -2.434) 11.608 4.723 ( -1.795 0.000 0.315) 1.823 4.739 ( -2.375 0.000 -1.172) 2.648 5.128 ( 0.941 0.000 1.120) 1.462 5.142 ( 4.132 0.000 -0.052) 4.133 5.256 ( 6.705 0.000 -0.100) 6.705 5.258 ( 3.430 0.000 -0.480) 3.464 5.380 ( 5.543 0.000 3.553) 6.584 5.444 ( 6.445 0.000 -2.461) 6.899 5.620 ( 3.570 0.000 2.847) 4.566 5.671 ( -0.643 0.000 -2.691) 2.767 5.767 ( -1.517 0.000 7.676) 7.825 5.884 ( -0.269 0.000 -1.103) 1.136 5.982 ( -0.215 0.000 -1.438) 1.454 6.037 ( 0.006 0.000 -8.746) 8.746 6.302 ( 3.471 0.000 1.180) 3.666 6.340 ( 4.325 0.000 -2.761) 5.131 7.430 ( 3.114 0.000 3.372) 4.590 7.483 ( 5.579 0.000 -2.462) 6.099 7.996 ( -0.047 0.000 9.523) 9.523 8.197 ( -1.885 0.000 -9.973) 10.149 9.212 ( -0.582 0.000 6.176) 6.203 9.327 ( -0.783 0.000 -5.245) 5.303 10.320 ( -2.292 0.000 0.148) 2.297 10.322 ( -1.979 0.000 -0.115) 1.982 ======================= Grid point 200 (69/84) ======================= q-point: ( 0.42 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -0.016 0.000 -0.493) 0.493 1.028 ( -0.368 0.000 -1.097) 1.157 1.159 ( 1.817 0.000 1.090) 2.119 1.162 ( 1.727 0.000 0.904) 1.950 1.253 ( 2.938 0.000 0.555) 2.990 1.258 ( 3.498 0.000 0.423) 3.523 1.465 ( 1.251 0.000 -0.622) 1.397 1.472 ( 0.028 0.000 -1.245) 1.245 1.533 ( 0.668 0.000 0.912) 1.130 1.579 ( 0.810 0.000 -3.311) 3.409 1.624 ( -0.590 0.000 0.815) 1.006 1.640 ( -0.107 0.000 -0.504) 0.515 1.824 ( -1.038 0.000 -0.355) 1.097 1.839 ( 0.566 0.000 -1.685) 1.778 2.195 ( 3.413 0.000 1.496) 3.726 2.210 ( 0.994 0.000 0.003) 0.994 2.227 ( 0.714 0.000 1.475) 1.639 2.248 ( 1.657 0.000 -0.530) 1.740 2.494 ( 2.098 0.000 2.079) 2.953 2.520 ( -0.266 0.000 -0.474) 0.544 2.934 ( 0.064 0.000 8.200) 8.200 3.098 ( 1.633 0.000 -8.142) 8.304 3.288 ( 3.326 0.000 8.167) 8.818 3.447 ( 7.457 0.000 -7.624) 10.665 4.691 ( -1.316 0.000 -0.485) 1.402 4.695 ( -1.759 0.000 -0.963) 2.005 5.134 ( 0.009 0.000 2.440) 2.440 5.185 ( 0.778 0.000 -2.517) 2.635 5.325 ( 2.971 0.000 2.052) 3.610 5.366 ( 4.141 0.000 -2.004) 4.600 5.478 ( 3.962 0.000 4.833) 6.250 5.542 ( 3.068 0.000 -0.911) 3.200 5.632 ( -0.590 0.000 -2.099) 2.180 5.634 ( -2.313 0.000 -1.963) 3.034 5.795 ( 2.613 0.000 9.776) 10.120 5.878 ( -0.379 0.000 1.665) 1.708 5.947 ( -2.154 0.000 -2.121) 3.023 6.029 ( -0.460 0.000 -10.110) 10.120 6.401 ( 4.858 0.000 1.336) 5.038 6.436 ( 4.314 0.000 -2.168) 4.828 7.441 ( -0.837 0.000 5.946) 6.004 7.532 ( 0.380 0.000 -3.824) 3.843 7.998 ( 0.058 0.000 7.053) 7.053 8.168 ( -1.105 0.000 -9.085) 9.152 9.203 ( -0.386 0.000 6.033) 6.045 9.314 ( -0.468 0.000 -5.117) 5.139 10.284 ( -1.232 0.000 0.188) 1.246 10.290 ( -1.116 0.000 -0.456) 1.206 ======================= Grid point 201 (70/84) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.000 0.000 -0.785) 0.785 1.025 ( 0.000 0.000 -1.072) 1.072 1.175 ( -0.000 0.000 1.025) 1.025 1.176 ( 0.000 0.000 0.971) 0.971 1.292 ( 0.000 0.000 1.525) 1.525 1.310 ( 0.000 0.000 0.508) 0.508 1.491 ( -0.000 0.000 0.907) 0.907 1.494 ( 0.000 0.000 -0.859) 0.859 1.497 ( 0.000 0.000 -1.012) 1.012 1.555 ( -0.000 0.000 -4.166) 4.166 1.627 ( 0.000 0.000 -0.011) 0.011 1.647 ( 0.000 0.000 -1.625) 1.625 1.811 ( 0.000 0.000 1.602) 1.602 1.842 ( 0.000 0.000 -1.573) 1.573 2.185 ( 0.000 0.000 2.064) 2.064 2.209 ( -0.000 0.000 -0.340) 0.340 2.271 ( 0.000 0.000 0.926) 0.926 2.286 ( 0.000 0.000 -0.350) 0.350 2.521 ( 0.000 0.000 1.201) 1.201 2.525 ( 0.000 0.000 0.494) 0.494 2.929 ( 0.000 0.000 9.203) 9.203 3.110 ( 0.000 0.000 -8.943) 8.943 3.320 ( 0.000 0.000 10.192) 10.192 3.523 ( -0.000 0.000 -9.980) 9.980 4.677 ( 0.000 0.000 -0.853) 0.853 4.677 ( 0.000 0.000 -0.812) 0.812 5.134 ( 0.000 0.000 2.758) 2.758 5.191 ( 0.000 0.000 -2.849) 2.849 5.357 ( 0.000 0.000 2.604) 2.604 5.409 ( 0.000 0.000 -2.638) 2.638 5.523 ( 0.000 0.000 5.839) 5.839 5.567 ( 0.000 0.000 1.277) 1.277 5.604 ( 0.000 0.000 -2.399) 2.399 5.630 ( -0.000 0.000 -4.205) 4.205 5.825 ( 0.000 0.000 9.413) 9.413 5.873 ( 0.000 0.000 2.337) 2.337 5.922 ( 0.000 0.000 -2.675) 2.675 6.024 ( 0.000 0.000 -9.884) 9.884 6.454 ( 0.000 0.000 1.102) 1.102 6.482 ( 0.000 0.000 -1.751) 1.751 7.429 ( 0.000 0.000 6.617) 6.617 7.530 ( 0.000 0.000 -4.293) 4.293 7.998 ( 0.000 0.000 6.239) 6.239 8.156 ( 0.000 0.000 -8.752) 8.752 9.199 ( 0.000 0.000 5.986) 5.986 9.309 ( 0.000 0.000 -5.090) 5.090 10.272 ( 0.000 0.000 0.184) 0.184 10.279 ( 0.000 0.000 -0.562) 0.562 ======================= Grid point 208 (71/84) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 0.000 0.510 3.175) 3.216 0.744 ( 0.000 -0.458 -0.939) 1.045 0.942 ( 0.000 -4.746 11.638) 12.568 1.001 ( 0.000 -3.479 5.604) 6.596 1.008 ( 0.000 0.494 5.615) 5.636 1.081 ( 0.000 -0.352 -1.590) 1.629 1.117 ( 0.000 0.835 -1.847) 2.027 1.187 ( 0.000 -2.876 -8.868) 9.323 1.345 ( 0.000 5.574 4.767) 7.334 1.444 ( 0.000 2.260 -2.816) 3.611 1.463 ( 0.000 2.151 7.582) 7.881 1.532 ( 0.000 2.121 0.552) 2.192 1.583 ( 0.000 2.664 -4.487) 5.218 1.608 ( 0.000 -2.993 -6.388) 7.054 1.726 ( 0.000 -0.452 6.869) 6.883 1.842 ( 0.000 3.500 -5.558) 6.568 1.968 ( 0.000 2.610 4.963) 5.608 2.009 ( 0.000 -6.029 10.309) 11.943 2.130 ( 0.000 -1.839 -9.920) 10.089 2.247 ( 0.000 -10.765 -10.985) 15.380 2.630 ( 0.000 8.392 8.236) 11.758 2.786 ( 0.000 7.581 -5.315) 9.258 3.150 ( 0.000 -4.457 3.936) 5.946 3.223 ( 0.000 -3.592 -1.985) 4.104 4.490 ( 0.000 -0.389 1.249) 1.308 4.501 ( 0.000 -0.211 0.465) 0.510 4.586 ( 0.000 1.934 1.910) 2.718 4.667 ( 0.000 -1.229 -5.333) 5.473 4.932 ( 0.000 -1.995 2.017) 2.837 4.961 ( 0.000 -1.720 -0.954) 1.966 5.171 ( 0.000 2.492 4.882) 5.481 5.206 ( 0.000 0.713 2.828) 2.917 5.241 ( 0.000 -0.752 -0.721) 1.041 5.291 ( 0.000 3.805 -6.706) 7.710 5.536 ( 0.000 -0.786 -1.306) 1.524 5.569 ( 0.000 -1.224 -4.379) 4.547 6.189 ( 0.000 -0.101 1.001) 1.006 6.198 ( 0.000 0.117 0.044) 0.125 6.244 ( 0.000 0.134 1.704) 1.709 6.294 ( 0.000 2.414 -3.098) 3.927 6.616 ( 0.000 -2.028 2.767) 3.431 6.690 ( 0.000 0.683 -5.065) 5.111 8.228 ( 0.000 -0.706 10.173) 10.198 8.412 ( 0.000 -0.030 -8.675) 8.675 9.284 ( 0.000 0.461 7.038) 7.053 9.419 ( 0.000 0.841 -6.373) 6.428 10.468 ( 0.000 -0.111 2.384) 2.386 10.518 ( 0.000 -1.115 -2.397) 2.643 ======================= Grid point 209 (72/84) ======================= q-point: ( 0.08 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 9.361 0.488 2.785) 9.779 0.853 ( 8.596 -0.219 -0.202) 8.601 0.983 ( 3.628 -3.436 8.994) 10.289 1.003 ( 1.496 -2.979 5.349) 6.303 1.038 ( 1.756 -0.520 2.890) 3.421 1.086 ( 0.561 -0.463 -1.532) 1.696 1.139 ( 2.470 0.378 -0.437) 2.537 1.226 ( 3.633 -3.395 -7.859) 9.300 1.335 ( 0.800 4.541 4.447) 6.406 1.430 ( -0.267 1.899 -2.271) 2.972 1.480 ( -0.876 -0.237 1.645) 1.878 1.533 ( 0.181 2.920 -3.616) 4.651 1.602 ( 2.548 0.646 3.541) 4.410 1.678 ( 2.955 -1.943 -0.938) 3.659 1.778 ( 6.457 0.755 2.559) 6.987 1.829 ( -0.612 1.259 -1.900) 2.360 2.001 ( 6.104 5.666 0.603) 8.350 2.115 ( 4.459 -3.460 0.760) 5.695 2.158 ( 7.739 -4.000 -0.469) 8.724 2.333 ( 6.711 -6.882 -7.832) 12.399 2.652 ( 2.706 6.698 6.790) 9.914 2.794 ( 1.245 6.732 -5.260) 8.634 3.089 ( -5.769 -4.325 4.044) 8.267 3.159 ( -6.097 -3.320 -1.704) 7.149 4.584 ( 8.099 -0.231 0.481) 8.117 4.588 ( 7.975 -0.346 0.484) 7.998 4.716 ( 10.967 2.000 2.762) 11.485 4.780 ( 8.108 0.469 -2.908) 8.627 4.957 ( 2.134 -2.519 0.599) 3.356 4.973 ( 3.446 -1.421 -0.870) 3.828 5.116 ( -1.886 1.456 2.882) 3.739 5.169 ( -2.673 0.817 -1.878) 3.368 5.288 ( 4.425 -0.334 3.441) 5.616 5.378 ( 4.653 0.561 -5.672) 7.357 5.590 ( 5.186 -0.203 -1.918) 5.533 5.607 ( 4.507 -0.057 -3.354) 5.618 6.157 ( -3.956 1.017 0.900) 4.182 6.187 ( -2.765 0.954 -2.073) 3.586 6.348 ( 7.371 0.106 3.040) 7.974 6.397 ( 9.329 -0.103 -1.795) 9.500 6.629 ( 4.069 -1.777 1.153) 4.587 6.687 ( 2.393 0.905 -4.864) 5.496 8.188 ( -3.749 -0.521 10.915) 11.553 8.385 ( -2.623 0.009 -9.140) 9.509 9.273 ( -1.090 0.353 6.968) 7.061 9.405 ( -1.260 0.697 -6.260) 6.423 10.453 ( -1.508 -0.097 2.037) 2.536 10.492 ( -2.369 -0.858 -1.744) 3.064 ======================= Grid point 210 (73/84) ======================= q-point: ( 0.17 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 4.597 0.844 4.108) 6.222 0.992 ( 4.626 0.460 2.238) 5.160 1.044 ( 2.337 -1.010 1.794) 3.114 1.061 ( 3.039 -1.406 3.556) 4.885 1.079 ( 1.954 -1.117 -1.201) 2.551 1.107 ( 2.345 -1.293 -0.679) 2.763 1.223 ( 5.632 -1.318 1.951) 6.104 1.302 ( 3.763 -0.755 -4.146) 5.650 1.405 ( 5.337 -0.528 1.982) 5.718 1.451 ( 2.005 -0.004 -1.363) 2.424 1.484 ( 2.172 0.601 1.770) 2.865 1.559 ( 3.084 1.990 -5.983) 7.019 1.627 ( 1.221 0.031 5.871) 5.997 1.711 ( 1.219 0.827 -1.823) 2.344 1.838 ( 2.271 1.367 0.196) 2.658 1.903 ( 4.078 -2.714 -5.054) 7.039 2.162 ( 7.256 3.385 2.703) 8.450 2.210 ( 5.503 3.186 -0.404) 6.372 2.403 ( 15.120 -3.044 2.385) 15.607 2.487 ( 9.196 -2.584 -3.857) 10.301 2.743 ( 4.937 3.043 3.407) 6.726 2.838 ( 1.565 3.462 -4.208) 5.670 2.964 ( -4.131 -3.594 3.986) 6.773 3.016 ( -6.288 -2.057 -0.731) 6.656 4.735 ( 4.611 -0.126 0.766) 4.676 4.747 ( 5.509 -0.663 -0.351) 5.559 4.887 ( 7.101 1.456 2.440) 7.648 4.911 ( 6.380 1.405 0.503) 6.552 5.054 ( 6.334 0.750 1.288) 6.507 5.080 ( 3.517 0.246 -1.144) 3.707 5.138 ( 6.237 -0.377 2.775) 6.837 5.201 ( 6.345 0.396 -2.803) 6.947 5.372 ( 4.526 -2.764 3.107) 6.147 5.464 ( 4.922 -2.230 -6.248) 8.260 5.713 ( 7.000 1.254 -0.431) 7.125 5.747 ( 7.842 -0.480 -3.447) 8.579 6.053 ( -5.871 1.772 1.278) 6.264 6.106 ( -4.576 1.324 -4.062) 6.260 6.371 ( -3.395 -0.561 2.964) 4.542 6.427 ( -4.972 -0.831 -2.607) 5.675 6.904 ( 20.130 -0.371 -0.031) 20.134 6.934 ( 19.278 0.279 -3.266) 19.554 8.098 ( -4.819 -0.227 12.177) 13.098 8.319 ( -3.786 0.071 -10.094) 10.781 9.248 ( -1.288 0.136 6.791) 6.913 9.376 ( -1.543 0.451 -6.000) 6.211 10.413 ( -2.325 -0.064 1.253) 2.642 10.434 ( -3.232 -0.425 -0.665) 3.327 ======================= Grid point 211 (74/84) ======================= q-point: ( 0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 0.765 0.683 3.261) 3.418 1.041 ( 0.624 0.187 1.497) 1.632 1.080 ( 1.679 0.737 0.316) 1.861 1.088 ( 1.134 0.411 -0.996) 1.564 1.141 ( 3.595 -1.272 1.368) 4.051 1.164 ( 2.671 -1.061 -0.597) 2.935 1.327 ( 4.484 -2.101 2.196) 5.417 1.383 ( 4.098 -0.114 -2.395) 4.747 1.473 ( 1.667 -0.506 0.350) 1.777 1.493 ( 2.378 0.639 -1.495) 2.881 1.571 ( 4.619 -0.723 2.022) 5.093 1.614 ( 1.837 -0.972 -0.227) 2.091 1.695 ( 5.139 0.520 -0.149) 5.167 1.757 ( 3.723 0.753 -3.402) 5.099 1.929 ( 6.827 1.349 0.538) 6.979 1.971 ( 3.882 -1.570 -4.276) 5.986 2.238 ( 2.117 3.221 5.407) 6.640 2.311 ( 3.820 4.375 -1.346) 5.962 2.565 ( -4.606 -4.424 1.401) 6.538 2.639 ( -0.925 -4.247 -5.043) 6.658 2.809 ( 9.713 1.875 2.479) 10.198 2.832 ( 3.650 2.166 0.606) 4.288 3.025 ( 8.775 -0.518 1.878) 8.988 3.050 ( 7.072 -0.402 -0.246) 7.088 4.758 ( -0.892 0.481 0.861) 1.330 4.776 ( -1.083 -0.288 -0.906) 1.441 5.032 ( 6.451 0.517 1.991) 6.771 5.061 ( 6.781 -0.814 -0.719) 6.867 5.124 ( 4.087 0.360 2.550) 4.831 5.169 ( 4.506 -0.329 -1.682) 4.821 5.299 ( 6.671 2.546 2.350) 7.517 5.342 ( 7.977 3.101 -1.366) 8.667 5.481 ( 6.668 -2.662 4.481) 8.463 5.589 ( 6.645 -3.663 -5.637) 9.453 5.807 ( 0.028 -0.408 1.601) 1.652 5.846 ( 1.128 -2.442 -1.789) 3.230 5.976 ( -0.495 2.472 1.112) 2.756 6.049 ( -0.419 1.675 -6.450) 6.677 6.308 ( -1.494 -0.244 -0.433) 1.575 6.320 ( -4.089 -0.076 -1.316) 4.296 7.262 ( 13.932 -0.628 0.663) 13.962 7.288 ( 14.655 0.478 -2.150) 14.820 8.019 ( -2.727 -0.091 12.142) 12.445 8.247 ( -3.167 0.094 -10.596) 11.059 9.225 ( -0.919 -0.048 6.585) 6.649 9.349 ( -1.168 0.304 -5.699) 5.825 10.366 ( -2.412 -0.030 0.459) 2.455 10.372 ( -2.989 -0.154 -0.036) 2.993 ======================= Grid point 212 (75/84) ======================= q-point: ( 0.33 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -0.279 -0.251 0.896) 0.971 1.037 ( -0.541 -0.058 -0.788) 0.958 1.116 ( 2.256 0.765 1.016) 2.589 1.125 ( 2.134 0.986 0.194) 2.359 1.203 ( 2.681 0.005 0.814) 2.802 1.213 ( 2.600 0.170 -0.244) 2.616 1.400 ( 2.879 -2.880 1.946) 4.513 1.444 ( 1.929 -1.638 -2.059) 3.263 1.503 ( 1.895 1.352 0.771) 2.452 1.544 ( 2.711 0.974 -2.949) 4.123 1.624 ( 0.917 -0.046 1.754) 1.980 1.646 ( 1.163 0.350 -0.264) 1.243 1.788 ( 3.804 -1.002 -0.790) 4.012 1.817 ( 1.412 -1.275 -3.345) 3.848 2.082 ( 7.035 0.744 0.231) 7.078 2.085 ( 8.027 0.715 0.250) 8.062 2.262 ( -0.132 2.903 3.327) 4.417 2.331 ( -4.328 3.718 -3.414) 6.649 2.448 ( -1.020 -3.778 5.111) 6.437 2.536 ( -4.357 -3.910 -3.245) 6.694 2.923 ( 3.541 2.330 5.129) 6.654 3.019 ( 6.648 0.123 -4.111) 7.818 3.185 ( 7.606 -0.187 3.296) 8.292 3.246 ( 11.102 -0.435 -2.510) 11.390 4.726 ( -2.010 0.278 0.237) 2.043 4.739 ( -2.221 0.039 -1.049) 2.456 5.116 ( 1.769 -0.801 1.926) 2.735 5.153 ( 3.391 0.768 -1.338) 3.726 5.233 ( 5.470 -1.807 0.305) 5.769 5.242 ( 3.742 -1.218 -0.437) 3.960 5.422 ( 5.956 4.060 4.122) 8.304 5.487 ( 6.071 3.462 -1.604) 7.170 5.615 ( 5.581 -0.611 2.952) 6.343 5.667 ( 0.906 -0.693 -2.050) 2.346 5.752 ( -2.809 -0.674 4.226) 5.119 5.853 ( 0.992 -3.654 -3.224) 4.973 5.971 ( -1.299 -0.648 0.143) 1.459 6.034 ( -2.237 -0.181 -6.308) 6.696 6.318 ( 4.006 1.361 0.263) 4.239 6.345 ( 4.438 0.439 -2.466) 5.096 7.427 ( 3.322 -0.303 3.631) 4.931 7.485 ( 5.389 0.199 -2.810) 6.081 7.995 ( -0.017 -0.047 9.623) 9.623 8.198 ( -1.917 0.064 -10.029) 10.211 9.210 ( -0.640 -0.173 6.414) 6.448 9.329 ( -0.795 0.252 -5.468) 5.531 10.319 ( -2.250 -0.035 0.178) 2.257 10.322 ( -1.969 -0.003 -0.123) 1.972 ======================= Grid point 213 (76/84) ======================= q-point: ( 0.42 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -0.185 -0.527 -0.270) 0.620 1.028 ( -0.350 -0.213 -1.518) 1.572 1.155 ( 1.322 -0.185 1.233) 1.817 1.161 ( 1.233 -0.213 0.696) 1.432 1.259 ( 3.018 0.737 0.892) 3.232 1.270 ( 2.929 0.913 0.001) 3.068 1.449 ( 2.482 -1.249 0.473) 2.818 1.472 ( 1.516 -0.184 -1.656) 2.252 1.541 ( 0.871 0.774 1.139) 1.630 1.589 ( 1.148 0.596 -3.379) 3.618 1.614 ( -1.272 -0.425 1.337) 1.894 1.646 ( -0.988 0.286 -1.576) 1.882 1.820 ( -0.512 -0.248 -0.364) 0.675 1.832 ( 0.607 -0.661 -1.420) 1.680 2.198 ( 1.796 0.289 1.217) 2.188 2.209 ( 2.344 -0.171 0.103) 2.352 2.231 ( -0.704 0.558 1.442) 1.699 2.251 ( 1.275 0.104 -0.396) 1.339 2.491 ( 2.864 -0.210 1.666) 3.320 2.511 ( 0.849 -0.903 -0.344) 1.286 2.950 ( -0.253 1.621 7.503) 7.680 3.078 ( 0.509 -1.894 -3.928) 4.391 3.312 ( 4.637 2.291 4.012) 6.546 3.433 ( 7.031 -1.404 -6.810) 9.889 4.688 ( -1.666 -0.185 -0.120) 1.681 4.700 ( -1.536 0.303 -1.388) 2.092 5.131 ( 0.246 -0.302 2.650) 2.679 5.188 ( 0.607 0.261 -2.909) 2.983 5.306 ( 2.962 -1.411 1.701) 3.695 5.339 ( 4.017 -2.060 -1.476) 4.750 5.522 ( 3.887 3.861 4.790) 7.277 5.565 ( 1.745 1.666 0.062) 2.414 5.629 ( -1.743 0.451 0.017) 1.801 5.689 ( 0.424 5.386 -4.208) 6.848 5.758 ( 2.875 -3.775 8.558) 9.785 5.872 ( 0.348 -0.950 0.597) 1.175 5.939 ( -1.486 -1.351 -2.642) 3.319 5.987 ( -1.764 -3.463 -7.506) 8.452 6.417 ( 4.627 1.371 0.433) 4.846 6.440 ( 4.216 0.337 -1.803) 4.598 7.440 ( -0.775 -0.099 6.013) 6.064 7.532 ( 0.318 0.006 -3.886) 3.899 7.999 ( 0.086 0.012 7.025) 7.026 8.168 ( -1.136 0.002 -9.113) 9.183 9.200 ( -0.416 -0.249 6.311) 6.329 9.317 ( -0.466 0.245 -5.377) 5.403 10.285 ( -1.217 0.012 0.204) 1.234 10.291 ( -1.111 0.011 -0.444) 1.196 ======================= Grid point 214 (77/84) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 0.000 -0.546 -0.666) 0.861 1.024 ( 0.000 -0.350 -1.649) 1.686 1.167 ( 0.000 -0.527 1.308) 1.411 1.173 ( 0.000 -0.518 0.759) 0.919 1.292 ( 0.000 0.056 1.225) 1.226 1.310 ( 0.000 -0.164 -0.075) 0.180 1.494 ( -0.000 0.491 0.576) 0.757 1.511 ( -0.000 2.090 1.309) 2.466 1.516 ( 0.000 1.189 -1.556) 1.958 1.566 ( -0.000 0.816 -2.635) 2.758 1.614 ( 0.000 -1.103 -0.633) 1.272 1.639 ( 0.000 -0.960 -2.127) 2.334 1.810 ( 0.000 0.091 0.859) 0.864 1.834 ( 0.000 -0.831 -1.460) 1.680 2.184 ( 0.000 0.026 1.692) 1.692 2.205 ( 0.000 -0.518 -0.339) 0.619 2.268 ( 0.000 -0.171 1.301) 1.312 2.287 ( 0.000 -0.002 -0.303) 0.303 2.522 ( 0.000 0.194 1.125) 1.142 2.528 ( 0.000 0.220 0.613) 0.651 2.942 ( 0.000 1.349 8.387) 8.495 3.077 ( 0.000 -2.889 -3.517) 4.551 3.358 ( 0.000 3.515 4.309) 5.561 3.505 ( -0.000 -1.914 -8.706) 8.914 4.670 ( 0.000 -0.328 -0.170) 0.370 4.684 ( 0.000 0.311 -1.608) 1.638 5.133 ( 0.000 -0.093 2.854) 2.856 5.193 ( 0.000 0.144 -2.984) 2.987 5.338 ( 0.000 -1.416 2.140) 2.566 5.381 ( 0.000 -2.177 -2.177) 3.079 5.569 ( -0.000 0.228 1.117) 1.140 5.574 ( 0.000 5.048 6.995) 8.626 5.603 ( 0.000 -0.028 -2.272) 2.272 5.695 ( 0.000 5.620 -3.340) 6.538 5.793 ( 0.000 -2.891 7.006) 7.579 5.871 ( 0.000 -0.145 2.446) 2.450 5.922 ( 0.000 -0.000 -2.729) 2.729 5.971 ( 0.000 -5.527 -9.008) 10.569 6.467 ( 0.000 1.169 0.394) 1.234 6.486 ( 0.000 0.240 -1.410) 1.430 7.428 ( 0.000 -0.050 6.649) 6.649 7.530 ( 0.000 -0.044 -4.278) 4.278 7.998 ( 0.000 0.036 6.158) 6.158 8.156 ( 0.000 -0.026 -8.767) 8.767 9.195 ( 0.000 -0.275 6.279) 6.285 9.312 ( 0.000 0.247 -5.365) 5.371 10.272 ( 0.000 0.025 0.198) 0.199 10.279 ( 0.000 0.016 -0.543) 0.544 ======================= Grid point 221 (78/84) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 0.000 0.000 2.366) 2.366 0.738 ( 0.000 0.000 -0.182) 0.182 0.890 ( 0.000 0.000 12.855) 12.855 0.972 ( 0.000 0.000 8.414) 8.414 1.014 ( 0.000 0.000 4.622) 4.622 1.076 ( 0.000 0.000 -1.277) 1.277 1.126 ( 0.000 0.000 -3.012) 3.012 1.157 ( 0.000 0.000 -9.443) 9.443 1.422 ( 0.000 -0.000 3.231) 3.231 1.438 ( 0.000 0.000 0.952) 0.952 1.496 ( 0.000 0.000 6.471) 6.471 1.564 ( 0.000 0.000 -0.238) 0.238 1.566 ( 0.000 -0.000 -1.743) 1.743 1.590 ( 0.000 0.000 0.392) 0.392 1.773 ( 0.000 -0.000 4.018) 4.018 1.830 ( 0.000 0.000 2.563) 2.563 2.001 ( 0.000 0.000 0.584) 0.584 2.043 ( 0.000 -0.000 -6.655) 6.655 2.053 ( 0.000 0.000 -8.765) 8.765 2.105 ( 0.000 0.000 -8.576) 8.576 2.765 ( 0.000 0.000 8.799) 8.799 2.824 ( 0.000 0.000 4.105) 4.105 3.129 ( 0.000 0.000 -2.292) 2.292 3.152 ( 0.000 -0.000 -3.330) 3.330 4.486 ( 0.000 0.000 1.968) 1.968 4.499 ( 0.000 0.000 0.763) 0.763 4.613 ( 0.000 0.000 -0.325) 0.325 4.647 ( 0.000 0.000 -3.868) 3.868 4.912 ( 0.000 0.000 2.158) 2.158 4.944 ( 0.000 0.000 -0.934) 0.934 5.197 ( 0.000 0.000 4.977) 4.977 5.218 ( 0.000 0.000 1.419) 1.419 5.228 ( 0.000 -0.000 0.433) 0.433 5.332 ( 0.000 0.000 -8.091) 8.091 5.530 ( 0.000 0.000 -1.513) 1.513 5.551 ( 0.000 0.000 -3.247) 3.247 6.188 ( 0.000 0.000 1.114) 1.114 6.199 ( 0.000 0.000 -0.060) 0.060 6.247 ( 0.000 0.000 2.983) 2.983 6.320 ( 0.000 0.000 -3.958) 3.958 6.594 ( 0.000 0.000 3.975) 3.975 6.696 ( 0.000 0.000 -6.769) 6.769 8.220 ( 0.000 0.000 10.746) 10.746 8.412 ( 0.000 0.000 -8.956) 8.956 9.290 ( 0.000 0.000 7.153) 7.153 9.428 ( 0.000 0.000 -6.682) 6.682 10.468 ( 0.000 0.000 1.811) 1.811 10.504 ( 0.000 0.000 -1.545) 1.545 ======================= Grid point 223 (79/84) ======================= q-point: ( 0.08 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 9.507 0.000 1.979) 9.711 0.852 ( 9.088 0.000 0.098) 9.088 0.935 ( 4.247 0.000 10.458) 11.287 0.978 ( 1.362 0.000 7.182) 7.310 1.037 ( 1.564 0.000 3.016) 3.397 1.082 ( 0.502 0.000 -1.444) 1.528 1.145 ( 2.059 0.000 -2.133) 2.965 1.191 ( 3.525 0.000 -7.977) 8.721 1.393 ( -0.594 0.000 4.471) 4.511 1.428 ( -0.296 0.000 0.417) 0.511 1.483 ( -1.094 0.000 0.410) 1.168 1.555 ( -0.436 0.000 -3.700) 3.725 1.613 ( 0.976 0.000 2.679) 2.851 1.652 ( 5.236 0.000 1.634) 5.485 1.825 ( 0.603 -0.000 0.217) 0.641 1.825 ( 3.669 0.000 0.454) 3.697 2.059 ( 5.575 -0.000 -1.172) 5.696 2.066 ( 6.333 0.000 5.203) 8.196 2.150 ( 9.211 0.000 -8.348) 12.431 2.227 ( 8.954 0.000 -8.931) 12.646 2.769 ( 0.902 0.000 8.234) 8.283 2.824 ( 0.446 0.000 3.874) 3.899 3.070 ( -5.577 0.000 -2.284) 6.027 3.091 ( -5.687 -0.000 -3.145) 6.498 4.582 ( 8.258 0.000 0.839) 8.300 4.584 ( 7.681 0.000 0.689) 7.712 4.741 ( 10.846 0.000 1.389) 10.934 4.784 ( 10.726 0.000 -2.664) 11.051 4.926 ( 2.492 0.000 1.756) 3.049 4.960 ( 2.406 0.000 -1.146) 2.665 5.138 ( -2.546 0.000 2.544) 3.600 5.169 ( -2.559 -0.000 -0.136) 2.563 5.288 ( 3.037 0.000 2.298) 3.808 5.381 ( 2.900 0.000 -7.203) 7.765 5.592 ( 6.144 0.000 -1.694) 6.373 5.603 ( 5.089 -0.000 -2.634) 5.731 6.170 ( -3.676 0.000 1.219) 3.873 6.197 ( -2.054 0.000 -1.211) 2.384 6.351 ( 7.330 0.000 2.432) 7.723 6.396 ( 7.388 0.000 -2.072) 7.673 6.611 ( 4.975 0.000 2.341) 5.498 6.695 ( 2.436 0.000 -6.354) 6.805 8.182 ( -3.577 0.000 11.354) 11.904 8.385 ( -2.584 0.000 -9.368) 9.718 9.277 ( -1.199 0.000 7.085) 7.186 9.413 ( -1.398 0.000 -6.523) 6.672 10.452 ( -1.509 0.000 1.599) 2.199 10.482 ( -2.108 0.000 -1.127) 2.390 ======================= Grid point 225 (80/84) ======================= q-point: ( 0.17 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 5.240 -0.000 2.372) 5.752 1.000 ( 4.295 0.000 2.917) 5.192 1.032 ( 3.851 -0.000 2.176) 4.423 1.033 ( 4.650 0.000 4.529) 6.491 1.068 ( 1.932 -0.000 0.647) 2.037 1.095 ( 1.063 0.000 -1.604) 1.925 1.213 ( 4.664 0.000 0.641) 4.708 1.287 ( 5.512 0.000 -5.595) 7.854 1.413 ( 2.336 -0.000 2.776) 3.628 1.446 ( 2.099 0.000 -0.378) 2.132 1.493 ( 2.474 0.000 1.132) 2.720 1.564 ( 1.319 0.000 -1.966) 2.367 1.636 ( 2.052 0.000 1.649) 2.633 1.716 ( 2.272 0.000 -1.176) 2.558 1.864 ( 3.066 0.000 -3.055) 4.328 1.873 ( 2.252 -0.000 -2.607) 3.444 2.197 ( 5.636 -0.000 7.740) 9.575 2.237 ( 8.498 0.000 2.157) 8.768 2.399 ( 14.224 0.000 -4.989) 15.074 2.432 ( 12.208 0.000 -6.333) 13.753 2.811 ( 2.377 0.000 6.281) 6.716 2.836 ( -1.930 -0.000 3.537) 4.029 2.960 ( -1.767 0.000 -2.149) 2.782 2.965 ( -4.750 -0.000 -2.298) 5.277 4.736 ( 5.060 0.000 0.295) 5.068 4.738 ( 5.469 0.000 -0.010) 5.469 4.913 ( 5.080 0.000 2.429) 5.630 4.916 ( 6.881 -0.000 1.558) 7.055 5.065 ( 4.245 0.000 1.402) 4.470 5.071 ( 7.119 0.000 -0.059) 7.119 5.164 ( 8.544 0.000 0.011) 8.544 5.184 ( 6.173 -0.000 -1.624) 6.383 5.344 ( 3.265 0.000 2.844) 4.330 5.437 ( 3.344 0.000 -6.619) 7.416 5.730 ( 6.688 0.000 -1.536) 6.862 5.739 ( 7.347 -0.000 -2.257) 7.686 6.074 ( -5.313 0.000 1.201) 5.447 6.120 ( -4.475 0.000 -3.303) 5.562 6.365 ( -3.577 0.000 2.521) 4.376 6.417 ( -4.614 0.000 -2.583) 5.288 6.900 ( 20.103 0.000 0.246) 20.105 6.937 ( 19.223 0.000 -3.673) 19.571 8.095 ( -4.691 0.000 12.415) 13.272 8.319 ( -3.759 0.000 -10.231) 10.900 9.249 ( -1.409 0.000 6.930) 7.072 9.381 ( -1.660 0.000 -6.202) 6.420 10.413 ( -2.315 0.000 1.044) 2.539 10.429 ( -3.011 0.000 -0.397) 3.037 ======================= Grid point 227 (81/84) ======================= q-point: ( 0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -0.211 -0.000 2.523) 2.532 1.040 ( 0.631 0.000 1.505) 1.632 1.089 ( 1.840 0.000 0.062) 1.841 1.098 ( 2.438 0.000 -0.006) 2.438 1.129 ( 3.865 0.000 0.210) 3.871 1.144 ( 3.422 -0.000 0.214) 3.429 1.305 ( 4.059 0.000 2.618) 4.829 1.379 ( 3.386 0.000 -3.624) 4.959 1.468 ( 2.783 -0.000 1.129) 3.003 1.499 ( 2.937 0.000 -1.803) 3.447 1.569 ( 4.651 0.000 1.645) 4.933 1.599 ( 1.954 0.000 1.493) 2.459 1.700 ( 4.038 0.000 -1.709) 4.385 1.763 ( 2.251 -0.000 -4.268) 4.825 1.951 ( 5.955 0.000 -1.485) 6.137 1.952 ( 5.991 -0.000 -0.918) 6.061 2.288 ( 3.849 0.000 7.385) 8.328 2.343 ( 3.073 0.000 2.278) 3.825 2.545 ( -3.152 0.000 -3.165) 4.467 2.567 ( -4.814 -0.000 -5.705) 7.465 2.833 ( 9.300 0.000 1.645) 9.445 2.846 ( 5.510 0.000 0.510) 5.533 3.028 ( 9.178 0.000 1.710) 9.336 3.038 ( 6.383 0.000 0.713) 6.423 4.766 ( -0.900 0.000 0.284) 0.944 4.770 ( -0.800 0.000 -0.274) 0.846 5.043 ( 4.973 0.000 1.076) 5.088 5.047 ( 7.084 -0.000 0.959) 7.149 5.131 ( 3.903 0.000 1.886) 4.335 5.161 ( 3.734 0.000 -0.979) 3.860 5.350 ( 7.870 0.000 1.721) 8.056 5.365 ( 8.679 -0.000 1.867) 8.878 5.453 ( 8.133 0.000 1.378) 8.249 5.536 ( 6.614 0.000 -5.946) 8.894 5.811 ( 0.390 0.000 -0.505) 0.638 5.815 ( -0.809 0.000 -0.602) 1.008 6.001 ( -1.433 0.000 1.179) 1.856 6.065 ( -0.694 0.000 -5.379) 5.423 6.306 ( -0.930 0.000 -0.483) 1.048 6.319 ( -3.470 0.000 -1.456) 3.763 7.256 ( 13.936 0.000 1.167) 13.985 7.293 ( 14.668 0.000 -2.747) 14.924 8.018 ( -2.694 0.000 12.299) 12.591 8.248 ( -3.168 0.000 -10.681) 11.140 9.225 ( -1.005 0.000 6.769) 6.843 9.352 ( -1.220 0.000 -5.889) 6.014 10.365 ( -2.397 0.000 0.390) 2.429 10.370 ( -2.884 0.000 0.056) 2.885 ======================= Grid point 229 (82/84) ======================= q-point: ( 0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -0.586 0.000 1.125) 1.269 1.037 ( -0.595 0.000 -0.913) 1.090 1.126 ( 1.832 0.000 1.014) 2.094 1.135 ( 1.477 0.000 0.090) 1.480 1.206 ( 3.691 -0.000 0.329) 3.706 1.213 ( 3.569 0.000 0.208) 3.575 1.371 ( 2.900 0.000 2.470) 3.809 1.427 ( 1.868 0.000 -2.492) 3.114 1.516 ( 2.025 0.000 0.800) 2.177 1.552 ( 2.329 0.000 -2.432) 3.367 1.628 ( 0.623 0.000 1.470) 1.596 1.647 ( 2.345 0.000 -0.051) 2.346 1.780 ( 3.618 0.000 -1.710) 4.002 1.800 ( 1.594 -0.000 -3.333) 3.695 2.089 ( 7.322 -0.000 0.527) 7.341 2.094 ( 7.550 0.000 0.264) 7.554 2.324 ( -2.789 0.000 4.105) 4.962 2.338 ( -5.581 -0.000 2.772) 6.231 2.444 ( -1.171 0.000 -1.812) 2.158 2.460 ( -0.304 -0.000 -3.433) 3.446 2.951 ( 3.191 0.000 4.144) 5.230 3.018 ( 5.493 0.000 -2.082) 5.874 3.183 ( 8.671 0.000 2.618) 9.058 3.241 ( 10.779 0.000 -2.594) 11.087 4.730 ( -2.333 0.000 0.145) 2.337 4.740 ( -1.960 0.000 -0.912) 2.162 5.108 ( 1.828 0.000 2.381) 3.002 5.161 ( 3.552 0.000 -2.687) 4.453 5.214 ( 4.392 0.000 1.159) 4.543 5.230 ( 4.041 0.000 -0.418) 4.062 5.483 ( 5.573 0.000 3.997) 6.858 5.509 ( 5.954 0.000 2.878) 6.613 5.612 ( 6.507 0.000 0.884) 6.567 5.652 ( 3.165 0.000 -0.875) 3.284 5.775 ( -0.403 -0.000 -2.543) 2.575 5.781 ( -1.520 0.000 -2.257) 2.721 5.966 ( -2.680 0.000 1.586) 3.114 6.033 ( -3.301 0.000 -5.041) 6.025 6.333 ( 4.390 0.000 -0.452) 4.413 6.350 ( 4.534 0.000 -2.132) 5.010 7.424 ( 3.485 0.000 3.862) 5.202 7.487 ( 5.244 0.000 -3.130) 6.107 7.995 ( 0.013 0.000 9.721) 9.721 8.198 ( -1.949 0.000 -10.085) 10.271 9.209 ( -0.695 0.000 6.644) 6.680 9.332 ( -0.808 0.000 -5.683) 5.740 10.319 ( -2.209 0.000 0.207) 2.219 10.322 ( -1.956 0.000 -0.130) 1.961 ======================= Grid point 231 (83/84) ======================= q-point: ( 0.42 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -0.189 0.000 -0.245) 0.309 1.025 ( -0.523 0.000 -1.692) 1.771 1.154 ( 0.909 0.000 1.220) 1.521 1.158 ( 0.802 0.000 0.640) 1.026 1.268 ( 2.429 0.000 0.723) 2.534 1.279 ( 2.716 0.000 -0.092) 2.717 1.435 ( 3.913 0.000 1.531) 4.202 1.470 ( 2.796 0.000 -1.682) 3.264 1.549 ( 1.160 -0.000 1.201) 1.669 1.594 ( 1.704 0.000 -2.698) 3.191 1.613 ( -2.035 0.000 0.577) 2.116 1.648 ( -1.896 0.000 -2.127) 2.849 1.820 ( 0.189 0.000 -0.742) 0.766 1.822 ( 0.458 0.000 -0.828) 0.946 2.202 ( 0.260 -0.000 0.983) 1.017 2.207 ( 2.624 0.000 0.421) 2.658 2.240 ( -1.429 0.000 0.817) 1.647 2.249 ( 1.153 0.000 0.094) 1.156 2.492 ( 3.280 0.000 0.918) 3.406 2.498 ( 2.343 0.000 0.106) 2.345 2.972 ( -0.458 0.000 6.402) 6.419 3.054 ( -0.472 0.000 -0.281) 0.549 3.341 ( 6.157 0.000 0.309) 6.165 3.413 ( 6.171 0.000 -5.485) 8.256 4.686 ( -1.816 0.000 0.087) 1.818 4.703 ( -1.516 0.000 -1.656) 2.245 5.128 ( 0.469 0.000 2.849) 2.887 5.191 ( 0.414 0.000 -3.369) 3.394 5.292 ( 3.070 0.000 1.512) 3.423 5.318 ( 3.844 0.000 -1.001) 3.972 5.559 ( 1.931 0.000 2.228) 2.948 5.588 ( 1.992 0.000 -0.473) 2.048 5.657 ( -0.442 -0.000 6.917) 6.931 5.685 ( 1.479 0.000 6.275) 6.447 5.796 ( 2.563 -0.000 -6.021) 6.544 5.821 ( 3.029 0.000 -5.254) 6.065 5.911 ( -2.549 0.000 0.214) 2.558 5.962 ( -3.278 0.000 -3.834) 5.045 6.433 ( 4.532 0.000 -0.423) 4.551 6.443 ( 4.053 0.000 -1.296) 4.255 7.439 ( -0.715 0.000 6.078) 6.120 7.532 ( 0.258 0.000 -3.945) 3.953 7.999 ( 0.113 0.000 6.996) 6.997 8.168 ( -1.166 0.000 -9.139) 9.213 9.197 ( -0.444 0.000 6.577) 6.592 9.319 ( -0.466 0.000 -5.625) 5.644 10.285 ( -1.202 0.000 0.219) 1.221 10.291 ( -1.106 0.000 -0.430) 1.187 ======================= Grid point 233 (84/84) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.000 0.000 -0.907) 0.907 1.019 ( 0.000 0.000 -1.823) 1.823 1.163 ( 0.000 0.000 1.318) 1.318 1.166 ( 0.000 0.000 0.798) 0.798 1.294 ( 0.000 0.000 0.827) 0.827 1.307 ( 0.000 0.000 -0.403) 0.403 1.501 ( 0.000 0.000 1.317) 1.317 1.528 ( -0.000 0.000 -1.360) 1.360 1.549 ( 0.000 -0.000 1.572) 1.572 1.556 ( 0.000 0.000 0.944) 0.944 1.614 ( 0.000 -0.000 -2.733) 2.733 1.619 ( 0.000 0.000 -3.196) 3.196 1.817 ( 0.000 0.000 -0.644) 0.644 1.819 ( 0.000 -0.000 -0.690) 0.690 2.186 ( 0.000 0.000 1.092) 1.092 2.197 ( 0.000 0.000 0.081) 0.081 2.267 ( -0.000 0.000 1.441) 1.441 2.286 ( 0.000 0.000 -0.195) 0.195 2.525 ( 0.000 0.000 0.962) 0.962 2.530 ( 0.000 0.000 0.816) 0.816 2.961 ( 0.000 0.000 7.091) 7.091 3.043 ( 0.000 0.000 0.596) 0.596 3.404 ( 0.000 0.000 -0.747) 0.747 3.475 ( -0.000 0.000 -6.464) 6.464 4.667 ( 0.000 0.000 0.072) 0.072 4.687 ( 0.000 0.000 -1.966) 1.966 5.132 ( 0.000 0.000 2.947) 2.947 5.194 ( 0.000 0.000 -3.114) 3.114 5.324 ( 0.000 0.000 1.757) 1.757 5.359 ( 0.000 0.000 -1.690) 1.690 5.572 ( -0.000 0.000 0.944) 0.944 5.603 ( 0.000 0.000 -2.133) 2.133 5.657 ( 0.000 0.000 8.951) 8.951 5.699 ( 0.000 0.000 7.532) 7.532 5.832 ( 0.000 0.000 -6.857) 6.857 5.867 ( -0.000 -0.000 -7.691) 7.691 5.870 ( 0.000 0.000 2.556) 2.556 5.922 ( 0.000 0.000 -2.784) 2.784 6.482 ( 0.000 0.000 -0.476) 0.476 6.486 ( 0.000 0.000 -0.804) 0.804 7.428 ( 0.000 0.000 6.679) 6.679 7.529 ( 0.000 0.000 -4.261) 4.261 7.999 ( 0.000 0.000 6.075) 6.075 8.155 ( 0.000 0.000 -8.781) 8.781 9.192 ( 0.000 0.000 6.559) 6.559 9.315 ( 0.000 0.000 -5.628) 5.628 10.273 ( 0.000 0.000 0.210) 0.210 10.279 ( 0.000 0.000 -0.524) 0.524 =================== 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 3/16128 10.0 91.950 57.585 74.751 0.000 0.000 0.000 3/16128 20.0 25.908 10.922 18.694 0.000 0.000 0.000 3/16128 30.0 15.629 5.727 10.529 0.000 0.000 0.000 3/16128 40.0 11.310 3.876 7.333 0.000 0.000 0.000 3/16128 50.0 8.721 2.889 5.543 0.000 0.000 0.000 3/16128 60.0 6.999 2.277 4.405 0.000 0.000 0.000 3/16128 70.0 5.801 1.868 3.634 0.000 0.000 0.000 3/16128 80.0 4.936 1.579 3.087 0.000 0.000 0.000 3/16128 90.0 4.290 1.366 2.682 0.000 0.000 0.000 3/16128 100.0 3.792 1.203 2.373 0.000 0.000 0.000 3/16128 110.0 3.399 1.076 2.129 0.000 0.000 0.000 3/16128 120.0 3.080 0.973 1.932 0.000 0.000 0.000 3/16128 130.0 2.816 0.888 1.770 0.000 0.000 0.000 3/16128 140.0 2.595 0.817 1.634 0.000 0.000 0.000 3/16128 150.0 2.407 0.757 1.518 0.000 0.000 0.000 3/16128 160.0 2.245 0.705 1.418 0.000 0.000 0.000 3/16128 170.0 2.104 0.660 1.331 0.000 0.000 0.000 3/16128 180.0 1.979 0.621 1.254 0.000 0.000 0.000 3/16128 190.0 1.869 0.586 1.186 0.000 0.000 0.000 3/16128 200.0 1.771 0.555 1.125 0.000 0.000 0.000 3/16128 210.0 1.683 0.527 1.070 0.000 0.000 0.000 3/16128 220.0 1.603 0.502 1.020 0.000 0.000 0.000 3/16128 230.0 1.531 0.479 0.975 0.000 0.000 0.000 3/16128 240.0 1.465 0.458 0.934 0.000 0.000 0.000 3/16128 250.0 1.404 0.439 0.896 0.000 0.000 0.000 3/16128 260.0 1.349 0.421 0.861 0.000 0.000 0.000 3/16128 270.0 1.297 0.405 0.829 0.000 0.000 0.000 3/16128 280.0 1.250 0.390 0.799 0.000 0.000 0.000 3/16128 290.0 1.206 0.376 0.771 0.000 0.000 0.000 3/16128 300.0 1.165 0.364 0.745 0.000 0.000 0.000 3/16128 310.0 1.126 0.352 0.721 0.000 0.000 0.000 3/16128 320.0 1.091 0.340 0.698 0.000 0.000 0.000 3/16128 330.0 1.057 0.330 0.677 0.000 0.000 0.000 3/16128 340.0 1.025 0.320 0.657 0.000 0.000 0.000 3/16128 350.0 0.996 0.310 0.638 0.000 0.000 0.000 3/16128 360.0 0.968 0.302 0.621 0.000 0.000 0.000 3/16128 370.0 0.941 0.293 0.604 0.000 0.000 0.000 3/16128 380.0 0.916 0.286 0.588 0.000 0.000 0.000 3/16128 390.0 0.892 0.278 0.573 0.000 0.000 0.000 3/16128 400.0 0.870 0.271 0.559 0.000 0.000 0.000 3/16128 410.0 0.848 0.264 0.545 0.000 0.000 0.000 3/16128 420.0 0.828 0.258 0.532 0.000 0.000 0.000 3/16128 430.0 0.809 0.252 0.520 0.000 0.000 0.000 3/16128 440.0 0.790 0.246 0.508 0.000 0.000 0.000 3/16128 450.0 0.772 0.241 0.496 0.000 0.000 0.000 3/16128 460.0 0.755 0.235 0.486 0.000 0.000 0.000 3/16128 470.0 0.739 0.230 0.475 0.000 0.000 0.000 3/16128 480.0 0.724 0.225 0.465 0.000 0.000 0.000 3/16128 490.0 0.709 0.221 0.456 0.000 0.000 0.000 3/16128 500.0 0.695 0.216 0.447 0.000 0.000 0.000 3/16128 510.0 0.681 0.212 0.438 0.000 0.000 0.000 3/16128 520.0 0.668 0.208 0.430 0.000 0.000 0.000 3/16128 530.0 0.655 0.204 0.422 0.000 0.000 0.000 3/16128 540.0 0.643 0.200 0.414 0.000 0.000 0.000 3/16128 550.0 0.631 0.196 0.406 0.000 0.000 0.000 3/16128 560.0 0.620 0.193 0.399 0.000 0.000 0.000 3/16128 570.0 0.609 0.190 0.392 0.000 0.000 0.000 3/16128 580.0 0.598 0.186 0.385 0.000 0.000 0.000 3/16128 590.0 0.588 0.183 0.379 0.000 0.000 0.000 3/16128 600.0 0.578 0.180 0.373 0.000 0.000 0.000 3/16128 610.0 0.569 0.177 0.366 0.000 0.000 0.000 3/16128 620.0 0.560 0.174 0.361 0.000 0.000 0.000 3/16128 630.0 0.551 0.171 0.355 0.000 0.000 0.000 3/16128 640.0 0.542 0.169 0.349 0.000 0.000 0.000 3/16128 650.0 0.534 0.166 0.344 0.000 0.000 0.000 3/16128 660.0 0.526 0.164 0.339 0.000 0.000 0.000 3/16128 670.0 0.518 0.161 0.334 0.000 0.000 0.000 3/16128 680.0 0.510 0.159 0.329 0.000 0.000 0.000 3/16128 690.0 0.503 0.156 0.324 0.000 0.000 0.000 3/16128 700.0 0.495 0.154 0.319 0.000 0.000 0.000 3/16128 710.0 0.488 0.152 0.315 0.000 0.000 0.000 3/16128 720.0 0.482 0.150 0.311 0.000 0.000 0.000 3/16128 730.0 0.475 0.148 0.306 0.000 0.000 0.000 3/16128 740.0 0.469 0.146 0.302 0.000 0.000 0.000 3/16128 750.0 0.462 0.144 0.298 0.000 0.000 0.000 3/16128 760.0 0.456 0.142 0.294 0.000 0.000 0.000 3/16128 770.0 0.450 0.140 0.290 0.000 0.000 0.000 3/16128 780.0 0.445 0.138 0.287 0.000 0.000 0.000 3/16128 790.0 0.439 0.137 0.283 0.000 0.000 0.000 3/16128 800.0 0.433 0.135 0.280 0.000 0.000 0.000 3/16128 810.0 0.428 0.133 0.276 0.000 0.000 0.000 3/16128 820.0 0.423 0.132 0.273 0.000 0.000 0.000 3/16128 830.0 0.418 0.130 0.269 0.000 0.000 0.000 3/16128 840.0 0.413 0.128 0.266 0.000 0.000 0.000 3/16128 850.0 0.408 0.127 0.263 0.000 0.000 0.000 3/16128 860.0 0.403 0.125 0.260 0.000 0.000 0.000 3/16128 870.0 0.399 0.124 0.257 0.000 0.000 0.000 3/16128 880.0 0.394 0.123 0.254 0.000 0.000 0.000 3/16128 890.0 0.390 0.121 0.251 0.000 0.000 0.000 3/16128 900.0 0.385 0.120 0.249 0.000 0.000 0.000 3/16128 910.0 0.381 0.118 0.246 0.000 0.000 0.000 3/16128 920.0 0.377 0.117 0.243 0.000 0.000 0.000 3/16128 930.0 0.373 0.116 0.241 0.000 0.000 0.000 3/16128 940.0 0.369 0.115 0.238 0.000 0.000 0.000 3/16128 950.0 0.365 0.113 0.236 0.000 0.000 0.000 3/16128 960.0 0.361 0.112 0.233 0.000 0.000 0.000 3/16128 970.0 0.357 0.111 0.231 0.000 0.000 0.000 3/16128 980.0 0.354 0.110 0.228 0.000 0.000 0.000 3/16128 990.0 0.350 0.109 0.226 0.000 0.000 0.000 3/16128 1000.0 0.347 0.108 0.224 0.000 0.000 0.000 3/16128 Thermal conductivity related properties were written into "kappa-m1247.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:44:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|