----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:28:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/m (87) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.545533925000000 3.545533925000000 2.348974920000000 b 3.545533925000000 -3.545533925000000 2.348974920000000 c 3.545533925000000 3.545533925000000 -2.348974920000000 Atomic positions (fractional): *1 O 0.74370839852165 0.08486671117119 0.82857510969283 15.999 2 O 0.25629160147835 0.91513328882881 0.17142489030717 15.999 3 O 0.91513328882881 0.74370839852165 0.65884168735046 15.999 4 O 0.08486671117119 0.25629160147835 0.34115831264954 15.999 *5 Na 0.41093010055264 0.19958341636715 0.61051351691979 22.990 6 Na 0.58906989944736 0.80041658363285 0.38948648308021 22.990 7 Na 0.80041658363285 0.41093010055264 0.21134668418549 22.990 8 Na 0.19958341636715 0.58906989944736 0.78865331581451 22.990 *9 Ir 0.00000000000000 0.00000000000000 0.00000000000000 192.217 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.091067850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.091067850000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.697949840000000 Atomic positions (fractional): *1 O 0.58486671117119 0.24370839852165 0.50000000000000 15.999 > 1 2 O 0.41513328882881 0.75629160147835 0.50000000000000 15.999 > 2 3 O 0.74370839852165 0.91513328882881 0.00000000000000 15.999 > 3 4 O 0.25629160147835 0.08486671117119 0.00000000000000 15.999 > 4 5 O 0.08486671117119 0.74370839852165 0.00000000000000 15.999 > 1 6 O 0.91513328882881 0.25629160147835 0.00000000000000 15.999 > 2 7 O 0.24370839852165 0.41513328882881 0.50000000000000 15.999 > 3 8 O 0.75629160147835 0.58486671117119 0.50000000000000 15.999 > 4 *9 Na 0.69958341636715 0.91093010055264 0.50000000000000 22.990 > 5 10 Na 0.30041658363285 0.08906989944736 0.50000000000000 22.990 > 6 11 Na 0.41093010055264 0.80041658363285 0.00000000000000 22.990 > 7 12 Na 0.58906989944736 0.19958341636715 0.00000000000000 22.990 > 8 13 Na 0.19958341636715 0.41093010055264 0.00000000000000 22.990 > 5 14 Na 0.80041658363285 0.58906989944736 0.00000000000000 22.990 > 6 15 Na 0.91093010055264 0.30041658363285 0.50000000000000 22.990 > 7 16 Na 0.08906989944736 0.69958341636715 0.50000000000000 22.990 > 8 *17 Ir 0.00000000000000 0.00000000000000 0.00000000000000 192.217 > 9 18 Ir 0.50000000000000 0.50000000000000 0.50000000000000 192.217 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.182135700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.182135700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.395899679999999 Atomic positions (fractional): *1 O 0.29243335558559 0.12185419926082 0.25000000000000 15.999 > 1 2 O 0.79243335558559 0.12185419926082 0.25000000000000 15.999 > 1 3 O 0.29243335558559 0.62185419926082 0.25000000000000 15.999 > 1 4 O 0.79243335558559 0.62185419926082 0.25000000000000 15.999 > 1 5 O 0.29243335558559 0.12185419926082 0.75000000000000 15.999 > 1 6 O 0.79243335558559 0.12185419926082 0.75000000000000 15.999 > 1 7 O 0.29243335558559 0.62185419926082 0.75000000000000 15.999 > 1 8 O 0.79243335558559 0.62185419926082 0.75000000000000 15.999 > 1 9 O 0.20756664441441 0.37814580073918 0.25000000000000 15.999 > 2 10 O 0.70756664441441 0.37814580073918 0.25000000000000 15.999 > 2 11 O 0.20756664441441 0.87814580073918 0.25000000000000 15.999 > 2 12 O 0.70756664441441 0.87814580073918 0.25000000000000 15.999 > 2 13 O 0.20756664441441 0.37814580073918 0.75000000000000 15.999 > 2 14 O 0.70756664441441 0.37814580073918 0.75000000000000 15.999 > 2 15 O 0.20756664441441 0.87814580073918 0.75000000000000 15.999 > 2 16 O 0.70756664441441 0.87814580073918 0.75000000000000 15.999 > 2 17 O 0.37185419926082 0.45756664441441 0.00000000000000 15.999 > 3 18 O 0.87185419926082 0.45756664441441 0.00000000000000 15.999 > 3 19 O 0.37185419926082 0.95756664441441 0.00000000000000 15.999 > 3 20 O 0.87185419926082 0.95756664441441 0.00000000000000 15.999 > 3 21 O 0.37185419926082 0.45756664441441 0.50000000000000 15.999 > 3 22 O 0.87185419926082 0.45756664441441 0.50000000000000 15.999 > 3 23 O 0.37185419926082 0.95756664441441 0.50000000000000 15.999 > 3 24 O 0.87185419926082 0.95756664441441 0.50000000000000 15.999 > 3 25 O 0.12814580073918 0.04243335558559 0.00000000000000 15.999 > 4 26 O 0.62814580073918 0.04243335558559 0.00000000000000 15.999 > 4 27 O 0.12814580073918 0.54243335558559 0.00000000000000 15.999 > 4 28 O 0.62814580073918 0.54243335558559 0.00000000000000 15.999 > 4 29 O 0.12814580073918 0.04243335558559 0.50000000000000 15.999 > 4 30 O 0.62814580073918 0.04243335558559 0.50000000000000 15.999 > 4 31 O 0.12814580073918 0.54243335558559 0.50000000000000 15.999 > 4 32 O 0.62814580073918 0.54243335558559 0.50000000000000 15.999 > 4 33 O 0.04243335558559 0.37185419926082 0.00000000000000 15.999 > 1 34 O 0.54243335558559 0.37185419926082 0.00000000000000 15.999 > 1 35 O 0.04243335558559 0.87185419926082 0.00000000000000 15.999 > 1 36 O 0.54243335558559 0.87185419926082 0.00000000000000 15.999 > 1 37 O 0.04243335558559 0.37185419926082 0.50000000000000 15.999 > 1 38 O 0.54243335558559 0.37185419926082 0.50000000000000 15.999 > 1 39 O 0.04243335558559 0.87185419926082 0.50000000000000 15.999 > 1 40 O 0.54243335558559 0.87185419926082 0.50000000000000 15.999 > 1 41 O 0.45756664441441 0.12814580073918 0.00000000000000 15.999 > 2 42 O 0.95756664441441 0.12814580073918 0.00000000000000 15.999 > 2 43 O 0.45756664441441 0.62814580073918 0.00000000000000 15.999 > 2 44 O 0.95756664441441 0.62814580073918 0.00000000000000 15.999 > 2 45 O 0.45756664441441 0.12814580073918 0.50000000000000 15.999 > 2 46 O 0.95756664441441 0.12814580073918 0.50000000000000 15.999 > 2 47 O 0.45756664441441 0.62814580073918 0.50000000000000 15.999 > 2 48 O 0.95756664441441 0.62814580073918 0.50000000000000 15.999 > 2 49 O 0.12185419926082 0.20756664441441 0.25000000000000 15.999 > 3 50 O 0.62185419926082 0.20756664441441 0.25000000000000 15.999 > 3 51 O 0.12185419926082 0.70756664441441 0.25000000000000 15.999 > 3 52 O 0.62185419926082 0.70756664441441 0.25000000000000 15.999 > 3 53 O 0.12185419926082 0.20756664441441 0.75000000000000 15.999 > 3 54 O 0.62185419926082 0.20756664441441 0.75000000000000 15.999 > 3 55 O 0.12185419926082 0.70756664441441 0.75000000000000 15.999 > 3 56 O 0.62185419926082 0.70756664441441 0.75000000000000 15.999 > 3 57 O 0.37814580073918 0.29243335558559 0.25000000000000 15.999 > 4 58 O 0.87814580073918 0.29243335558559 0.25000000000000 15.999 > 4 59 O 0.37814580073918 0.79243335558559 0.25000000000000 15.999 > 4 60 O 0.87814580073918 0.79243335558559 0.25000000000000 15.999 > 4 61 O 0.37814580073918 0.29243335558559 0.75000000000000 15.999 > 4 62 O 0.87814580073918 0.29243335558559 0.75000000000000 15.999 > 4 63 O 0.37814580073918 0.79243335558559 0.75000000000000 15.999 > 4 64 O 0.87814580073918 0.79243335558559 0.75000000000000 15.999 > 4 *65 Na 0.34979170818357 0.45546505027632 0.25000000000000 22.990 > 5 66 Na 0.84979170818357 0.45546505027632 0.25000000000000 22.990 > 5 67 Na 0.34979170818357 0.95546505027632 0.25000000000000 22.990 > 5 68 Na 0.84979170818357 0.95546505027632 0.25000000000000 22.990 > 5 69 Na 0.34979170818357 0.45546505027632 0.75000000000000 22.990 > 5 70 Na 0.84979170818357 0.45546505027632 0.75000000000000 22.990 > 5 71 Na 0.34979170818357 0.95546505027632 0.75000000000000 22.990 > 5 72 Na 0.84979170818357 0.95546505027632 0.75000000000000 22.990 > 5 73 Na 0.15020829181643 0.04453494972368 0.25000000000000 22.990 > 6 74 Na 0.65020829181643 0.04453494972368 0.25000000000000 22.990 > 6 75 Na 0.15020829181643 0.54453494972368 0.25000000000000 22.990 > 6 76 Na 0.65020829181643 0.54453494972368 0.25000000000000 22.990 > 6 77 Na 0.15020829181643 0.04453494972368 0.75000000000000 22.990 > 6 78 Na 0.65020829181643 0.04453494972368 0.75000000000000 22.990 > 6 79 Na 0.15020829181643 0.54453494972368 0.75000000000000 22.990 > 6 80 Na 0.65020829181643 0.54453494972368 0.75000000000000 22.990 > 6 81 Na 0.20546505027632 0.40020829181643 0.00000000000000 22.990 > 7 82 Na 0.70546505027632 0.40020829181643 0.00000000000000 22.990 > 7 83 Na 0.20546505027632 0.90020829181643 0.00000000000000 22.990 > 7 84 Na 0.70546505027632 0.90020829181643 0.00000000000000 22.990 > 7 85 Na 0.20546505027632 0.40020829181643 0.50000000000000 22.990 > 7 86 Na 0.70546505027632 0.40020829181643 0.50000000000000 22.990 > 7 87 Na 0.20546505027632 0.90020829181643 0.50000000000000 22.990 > 7 88 Na 0.70546505027632 0.90020829181643 0.50000000000000 22.990 > 7 89 Na 0.29453494972368 0.09979170818357 0.00000000000000 22.990 > 8 90 Na 0.79453494972368 0.09979170818357 0.00000000000000 22.990 > 8 91 Na 0.29453494972368 0.59979170818357 0.00000000000000 22.990 > 8 92 Na 0.79453494972368 0.59979170818357 0.00000000000000 22.990 > 8 93 Na 0.29453494972368 0.09979170818357 0.50000000000000 22.990 > 8 94 Na 0.79453494972368 0.09979170818357 0.50000000000000 22.990 > 8 95 Na 0.29453494972368 0.59979170818357 0.50000000000000 22.990 > 8 96 Na 0.79453494972368 0.59979170818357 0.50000000000000 22.990 > 8 97 Na 0.09979170818357 0.20546505027632 0.00000000000000 22.990 > 5 98 Na 0.59979170818357 0.20546505027632 0.00000000000000 22.990 > 5 99 Na 0.09979170818357 0.70546505027632 0.00000000000000 22.990 > 5 100 Na 0.59979170818357 0.70546505027632 0.00000000000000 22.990 > 5 101 Na 0.09979170818357 0.20546505027632 0.50000000000000 22.990 > 5 102 Na 0.59979170818357 0.20546505027632 0.50000000000000 22.990 > 5 103 Na 0.09979170818357 0.70546505027632 0.50000000000000 22.990 > 5 104 Na 0.59979170818357 0.70546505027632 0.50000000000000 22.990 > 5 105 Na 0.40020829181643 0.29453494972368 0.00000000000000 22.990 > 6 106 Na 0.90020829181643 0.29453494972368 0.00000000000000 22.990 > 6 107 Na 0.40020829181643 0.79453494972368 0.00000000000000 22.990 > 6 108 Na 0.90020829181643 0.79453494972368 0.00000000000000 22.990 > 6 109 Na 0.40020829181643 0.29453494972368 0.50000000000000 22.990 > 6 110 Na 0.90020829181643 0.29453494972368 0.50000000000000 22.990 > 6 111 Na 0.40020829181643 0.79453494972368 0.50000000000000 22.990 > 6 112 Na 0.90020829181643 0.79453494972368 0.50000000000000 22.990 > 6 113 Na 0.45546505027632 0.15020829181643 0.25000000000000 22.990 > 7 114 Na 0.95546505027632 0.15020829181643 0.25000000000000 22.990 > 7 115 Na 0.45546505027632 0.65020829181643 0.25000000000000 22.990 > 7 116 Na 0.95546505027632 0.65020829181643 0.25000000000000 22.990 > 7 117 Na 0.45546505027632 0.15020829181643 0.75000000000000 22.990 > 7 118 Na 0.95546505027632 0.15020829181643 0.75000000000000 22.990 > 7 119 Na 0.45546505027632 0.65020829181643 0.75000000000000 22.990 > 7 120 Na 0.95546505027632 0.65020829181643 0.75000000000000 22.990 > 7 121 Na 0.04453494972368 0.34979170818357 0.25000000000000 22.990 > 8 122 Na 0.54453494972368 0.34979170818357 0.25000000000000 22.990 > 8 123 Na 0.04453494972368 0.84979170818357 0.25000000000000 22.990 > 8 124 Na 0.54453494972368 0.84979170818357 0.25000000000000 22.990 > 8 125 Na 0.04453494972368 0.34979170818357 0.75000000000000 22.990 > 8 126 Na 0.54453494972368 0.34979170818357 0.75000000000000 22.990 > 8 127 Na 0.04453494972368 0.84979170818357 0.75000000000000 22.990 > 8 128 Na 0.54453494972368 0.84979170818357 0.75000000000000 22.990 > 8 *129 Ir 0.00000000000000 0.00000000000000 0.00000000000000 192.217 > 9 130 Ir 0.50000000000000 0.00000000000000 0.00000000000000 192.217 > 9 131 Ir 0.00000000000000 0.50000000000000 0.00000000000000 192.217 > 9 132 Ir 0.50000000000000 0.50000000000000 0.00000000000000 192.217 > 9 133 Ir 0.00000000000000 0.00000000000000 0.50000000000000 192.217 > 9 134 Ir 0.50000000000000 0.00000000000000 0.50000000000000 192.217 > 9 135 Ir 0.00000000000000 0.50000000000000 0.50000000000000 192.217 > 9 136 Ir 0.50000000000000 0.50000000000000 0.50000000000000 192.217 > 9 137 Ir 0.25000000000000 0.25000000000000 0.25000000000000 192.217 > 9 138 Ir 0.75000000000000 0.25000000000000 0.25000000000000 192.217 > 9 139 Ir 0.25000000000000 0.75000000000000 0.25000000000000 192.217 > 9 140 Ir 0.75000000000000 0.75000000000000 0.25000000000000 192.217 > 9 141 Ir 0.25000000000000 0.25000000000000 0.75000000000000 192.217 > 9 142 Ir 0.75000000000000 0.25000000000000 0.75000000000000 192.217 > 9 143 Ir 0.25000000000000 0.75000000000000 0.75000000000000 192.217 > 9 144 Ir 0.75000000000000 0.75000000000000 0.75000000000000 192.217 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 100.8540322 0.0000867 0.0000000 -0.0000867 100.8540322 0.0000000 0.0000000 0.0000000 107.2940288 -------------------------- Born effective charges -------------------------- 1 O -1.6475485 0.5359986 0.0000000 1.3705364 -3.1720374 0.0000000 0.0000000 0.0000000 0.0236825 2 O -1.6475485 0.5359986 0.0000000 1.3705364 -3.1720374 0.0000000 0.0000000 0.0000000 0.0236825 3 O -3.1720374 -1.3705364 0.0000000 -0.5359986 -1.6475485 0.0000000 0.0000000 0.0000000 0.0236825 4 O -3.1720374 -1.3705364 0.0000000 -0.5359986 -1.6475485 0.0000000 0.0000000 0.0000000 0.0236825 5 Na 0.9504438 0.2891102 0.0000000 0.2183916 1.3940032 0.0000000 0.0000000 0.0000000 0.5672235 6 Na 0.9504438 0.2891102 0.0000000 0.2183916 1.3940032 0.0000000 0.0000000 0.0000000 0.5672235 7 Na 1.3940032 -0.2183916 0.0000000 -0.2891102 0.9504438 0.0000000 0.0000000 0.0000000 0.5672235 8 Na 1.3940032 -0.2183916 0.0000000 -0.2891102 0.9504438 0.0000000 0.0000000 0.0000000 0.5672235 9 Ir 4.9502778 1.5276385 0.0000000 -1.5276385 4.9502778 0.0000000 0.0000000 0.0000000 -2.3636242 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 7290/7290 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 842 Number of blocks in projector: 842 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: 290 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 241 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 162 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 147 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (842, 830), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (147, 144), data: True |-- (162, 162), data: True |-- (241, 237), data: True |-- (290, 285), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 160 - Time: 1.222 Solver_block: 160 / 160 - Time: 0.727 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.022 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 7290/7290 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 842 Number of blocks in projector: 842 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: 290 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 241 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 162 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 147 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (842, 830), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (147, 144), data: True |-- (162, 162), data: True |-- (241, 237), data: True |-- (290, 285), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:28:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:28:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/m (87) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.545533925000000 3.545533925000000 2.348974920000000 b 3.545533925000000 -3.545533925000000 2.348974920000000 c 3.545533925000000 3.545533925000000 -2.348974920000000 Atomic positions (fractional): 1 O 0.74370839852165 0.08486671117119 0.82857510969283 15.999 2 O 0.25629160147835 0.91513328882881 0.17142489030717 15.999 3 O 0.91513328882881 0.74370839852165 0.65884168735046 15.999 4 O 0.08486671117119 0.25629160147835 0.34115831264954 15.999 5 Na 0.41093010055264 0.19958341636715 0.61051351691979 22.990 6 Na 0.58906989944736 0.80041658363285 0.38948648308021 22.990 7 Na 0.80041658363285 0.41093010055264 0.21134668418549 22.990 8 Na 0.19958341636715 0.58906989944736 0.78865331581451 22.990 9 Ir 0.00000000000000 0.00000000000000 0.00000000000000 192.217 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.182135700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.182135700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.395899679999999 Atomic positions (fractional): 1 O 0.29243335558559 0.12185419926082 0.25000000000000 15.999 > 1 2 O 0.79243335558559 0.12185419926082 0.25000000000000 15.999 > 1 3 O 0.29243335558559 0.62185419926082 0.25000000000000 15.999 > 1 4 O 0.79243335558559 0.62185419926082 0.25000000000000 15.999 > 1 5 O 0.29243335558559 0.12185419926082 0.75000000000000 15.999 > 1 6 O 0.79243335558559 0.12185419926082 0.75000000000000 15.999 > 1 7 O 0.29243335558559 0.62185419926082 0.75000000000000 15.999 > 1 8 O 0.79243335558559 0.62185419926082 0.75000000000000 15.999 > 1 9 O 0.20756664441441 0.37814580073918 0.25000000000000 15.999 > 9 10 O 0.70756664441441 0.37814580073918 0.25000000000000 15.999 > 9 11 O 0.20756664441441 0.87814580073918 0.25000000000000 15.999 > 9 12 O 0.70756664441441 0.87814580073918 0.25000000000000 15.999 > 9 13 O 0.20756664441441 0.37814580073918 0.75000000000000 15.999 > 9 14 O 0.70756664441441 0.37814580073918 0.75000000000000 15.999 > 9 15 O 0.20756664441441 0.87814580073918 0.75000000000000 15.999 > 9 16 O 0.70756664441441 0.87814580073918 0.75000000000000 15.999 > 9 17 O 0.37185419926082 0.45756664441441 0.00000000000000 15.999 > 17 18 O 0.87185419926082 0.45756664441441 0.00000000000000 15.999 > 17 19 O 0.37185419926082 0.95756664441441 0.00000000000000 15.999 > 17 20 O 0.87185419926082 0.95756664441441 0.00000000000000 15.999 > 17 21 O 0.37185419926082 0.45756664441441 0.50000000000000 15.999 > 17 22 O 0.87185419926082 0.45756664441441 0.50000000000000 15.999 > 17 23 O 0.37185419926082 0.95756664441441 0.50000000000000 15.999 > 17 24 O 0.87185419926082 0.95756664441441 0.50000000000000 15.999 > 17 25 O 0.12814580073918 0.04243335558559 0.00000000000000 15.999 > 25 26 O 0.62814580073918 0.04243335558559 0.00000000000000 15.999 > 25 27 O 0.12814580073918 0.54243335558559 0.00000000000000 15.999 > 25 28 O 0.62814580073918 0.54243335558559 0.00000000000000 15.999 > 25 29 O 0.12814580073918 0.04243335558559 0.50000000000000 15.999 > 25 30 O 0.62814580073918 0.04243335558559 0.50000000000000 15.999 > 25 31 O 0.12814580073918 0.54243335558559 0.50000000000000 15.999 > 25 32 O 0.62814580073918 0.54243335558559 0.50000000000000 15.999 > 25 33 O 0.04243335558559 0.37185419926082 0.00000000000000 15.999 > 1 34 O 0.54243335558559 0.37185419926082 0.00000000000000 15.999 > 1 35 O 0.04243335558559 0.87185419926082 0.00000000000000 15.999 > 1 36 O 0.54243335558559 0.87185419926082 0.00000000000000 15.999 > 1 37 O 0.04243335558559 0.37185419926082 0.50000000000000 15.999 > 1 38 O 0.54243335558559 0.37185419926082 0.50000000000000 15.999 > 1 39 O 0.04243335558559 0.87185419926082 0.50000000000000 15.999 > 1 40 O 0.54243335558559 0.87185419926082 0.50000000000000 15.999 > 1 41 O 0.45756664441441 0.12814580073918 0.00000000000000 15.999 > 9 42 O 0.95756664441441 0.12814580073918 0.00000000000000 15.999 > 9 43 O 0.45756664441441 0.62814580073918 0.00000000000000 15.999 > 9 44 O 0.95756664441441 0.62814580073918 0.00000000000000 15.999 > 9 45 O 0.45756664441441 0.12814580073918 0.50000000000000 15.999 > 9 46 O 0.95756664441441 0.12814580073918 0.50000000000000 15.999 > 9 47 O 0.45756664441441 0.62814580073918 0.50000000000000 15.999 > 9 48 O 0.95756664441441 0.62814580073918 0.50000000000000 15.999 > 9 49 O 0.12185419926082 0.20756664441441 0.25000000000000 15.999 > 17 50 O 0.62185419926082 0.20756664441441 0.25000000000000 15.999 > 17 51 O 0.12185419926082 0.70756664441441 0.25000000000000 15.999 > 17 52 O 0.62185419926082 0.70756664441441 0.25000000000000 15.999 > 17 53 O 0.12185419926082 0.20756664441441 0.75000000000000 15.999 > 17 54 O 0.62185419926082 0.20756664441441 0.75000000000000 15.999 > 17 55 O 0.12185419926082 0.70756664441441 0.75000000000000 15.999 > 17 56 O 0.62185419926082 0.70756664441441 0.75000000000000 15.999 > 17 57 O 0.37814580073918 0.29243335558559 0.25000000000000 15.999 > 25 58 O 0.87814580073918 0.29243335558559 0.25000000000000 15.999 > 25 59 O 0.37814580073918 0.79243335558559 0.25000000000000 15.999 > 25 60 O 0.87814580073918 0.79243335558559 0.25000000000000 15.999 > 25 61 O 0.37814580073918 0.29243335558559 0.75000000000000 15.999 > 25 62 O 0.87814580073918 0.29243335558559 0.75000000000000 15.999 > 25 63 O 0.37814580073918 0.79243335558559 0.75000000000000 15.999 > 25 64 O 0.87814580073918 0.79243335558559 0.75000000000000 15.999 > 25 65 Na 0.34979170818357 0.45546505027632 0.25000000000000 22.990 > 65 66 Na 0.84979170818357 0.45546505027632 0.25000000000000 22.990 > 65 67 Na 0.34979170818357 0.95546505027632 0.25000000000000 22.990 > 65 68 Na 0.84979170818357 0.95546505027632 0.25000000000000 22.990 > 65 69 Na 0.34979170818357 0.45546505027632 0.75000000000000 22.990 > 65 70 Na 0.84979170818357 0.45546505027632 0.75000000000000 22.990 > 65 71 Na 0.34979170818357 0.95546505027632 0.75000000000000 22.990 > 65 72 Na 0.84979170818357 0.95546505027632 0.75000000000000 22.990 > 65 73 Na 0.15020829181643 0.04453494972368 0.25000000000000 22.990 > 73 74 Na 0.65020829181643 0.04453494972368 0.25000000000000 22.990 > 73 75 Na 0.15020829181643 0.54453494972368 0.25000000000000 22.990 > 73 76 Na 0.65020829181643 0.54453494972368 0.25000000000000 22.990 > 73 77 Na 0.15020829181643 0.04453494972368 0.75000000000000 22.990 > 73 78 Na 0.65020829181643 0.04453494972368 0.75000000000000 22.990 > 73 79 Na 0.15020829181643 0.54453494972368 0.75000000000000 22.990 > 73 80 Na 0.65020829181643 0.54453494972368 0.75000000000000 22.990 > 73 81 Na 0.20546505027632 0.40020829181643 0.00000000000000 22.990 > 81 82 Na 0.70546505027632 0.40020829181643 0.00000000000000 22.990 > 81 83 Na 0.20546505027632 0.90020829181643 0.00000000000000 22.990 > 81 84 Na 0.70546505027632 0.90020829181643 0.00000000000000 22.990 > 81 85 Na 0.20546505027632 0.40020829181643 0.50000000000000 22.990 > 81 86 Na 0.70546505027632 0.40020829181643 0.50000000000000 22.990 > 81 87 Na 0.20546505027632 0.90020829181643 0.50000000000000 22.990 > 81 88 Na 0.70546505027632 0.90020829181643 0.50000000000000 22.990 > 81 89 Na 0.29453494972368 0.09979170818357 0.00000000000000 22.990 > 89 90 Na 0.79453494972368 0.09979170818357 0.00000000000000 22.990 > 89 91 Na 0.29453494972368 0.59979170818357 0.00000000000000 22.990 > 89 92 Na 0.79453494972368 0.59979170818357 0.00000000000000 22.990 > 89 93 Na 0.29453494972368 0.09979170818357 0.50000000000000 22.990 > 89 94 Na 0.79453494972368 0.09979170818357 0.50000000000000 22.990 > 89 95 Na 0.29453494972368 0.59979170818357 0.50000000000000 22.990 > 89 96 Na 0.79453494972368 0.59979170818357 0.50000000000000 22.990 > 89 97 Na 0.09979170818357 0.20546505027632 0.00000000000000 22.990 > 65 98 Na 0.59979170818357 0.20546505027632 0.00000000000000 22.990 > 65 99 Na 0.09979170818357 0.70546505027632 0.00000000000000 22.990 > 65 100 Na 0.59979170818357 0.70546505027632 0.00000000000000 22.990 > 65 101 Na 0.09979170818357 0.20546505027632 0.50000000000000 22.990 > 65 102 Na 0.59979170818357 0.20546505027632 0.50000000000000 22.990 > 65 103 Na 0.09979170818357 0.70546505027632 0.50000000000000 22.990 > 65 104 Na 0.59979170818357 0.70546505027632 0.50000000000000 22.990 > 65 105 Na 0.40020829181643 0.29453494972368 0.00000000000000 22.990 > 73 106 Na 0.90020829181643 0.29453494972368 0.00000000000000 22.990 > 73 107 Na 0.40020829181643 0.79453494972368 0.00000000000000 22.990 > 73 108 Na 0.90020829181643 0.79453494972368 0.00000000000000 22.990 > 73 109 Na 0.40020829181643 0.29453494972368 0.50000000000000 22.990 > 73 110 Na 0.90020829181643 0.29453494972368 0.50000000000000 22.990 > 73 111 Na 0.40020829181643 0.79453494972368 0.50000000000000 22.990 > 73 112 Na 0.90020829181643 0.79453494972368 0.50000000000000 22.990 > 73 113 Na 0.45546505027632 0.15020829181643 0.25000000000000 22.990 > 81 114 Na 0.95546505027632 0.15020829181643 0.25000000000000 22.990 > 81 115 Na 0.45546505027632 0.65020829181643 0.25000000000000 22.990 > 81 116 Na 0.95546505027632 0.65020829181643 0.25000000000000 22.990 > 81 117 Na 0.45546505027632 0.15020829181643 0.75000000000000 22.990 > 81 118 Na 0.95546505027632 0.15020829181643 0.75000000000000 22.990 > 81 119 Na 0.45546505027632 0.65020829181643 0.75000000000000 22.990 > 81 120 Na 0.95546505027632 0.65020829181643 0.75000000000000 22.990 > 81 121 Na 0.04453494972368 0.34979170818357 0.25000000000000 22.990 > 89 122 Na 0.54453494972368 0.34979170818357 0.25000000000000 22.990 > 89 123 Na 0.04453494972368 0.84979170818357 0.25000000000000 22.990 > 89 124 Na 0.54453494972368 0.84979170818357 0.25000000000000 22.990 > 89 125 Na 0.04453494972368 0.34979170818357 0.75000000000000 22.990 > 89 126 Na 0.54453494972368 0.34979170818357 0.75000000000000 22.990 > 89 127 Na 0.04453494972368 0.84979170818357 0.75000000000000 22.990 > 89 128 Na 0.54453494972368 0.84979170818357 0.75000000000000 22.990 > 89 129 Ir 0.00000000000000 0.00000000000000 0.00000000000000 192.217 > 129 130 Ir 0.50000000000000 0.00000000000000 0.00000000000000 192.217 > 129 131 Ir 0.00000000000000 0.50000000000000 0.00000000000000 192.217 > 129 132 Ir 0.50000000000000 0.50000000000000 0.00000000000000 192.217 > 129 133 Ir 0.00000000000000 0.00000000000000 0.50000000000000 192.217 > 129 134 Ir 0.50000000000000 0.00000000000000 0.50000000000000 192.217 > 129 135 Ir 0.00000000000000 0.50000000000000 0.50000000000000 192.217 > 129 136 Ir 0.50000000000000 0.50000000000000 0.50000000000000 192.217 > 129 137 Ir 0.25000000000000 0.25000000000000 0.25000000000000 192.217 > 129 138 Ir 0.75000000000000 0.25000000000000 0.25000000000000 192.217 > 129 139 Ir 0.25000000000000 0.75000000000000 0.25000000000000 192.217 > 129 140 Ir 0.75000000000000 0.75000000000000 0.25000000000000 192.217 > 129 141 Ir 0.25000000000000 0.25000000000000 0.75000000000000 192.217 > 129 142 Ir 0.75000000000000 0.25000000000000 0.75000000000000 192.217 > 129 143 Ir 0.25000000000000 0.75000000000000 0.75000000000000 192.217 > 129 144 Ir 0.75000000000000 0.75000000000000 0.75000000000000 192.217 > 129 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 100.8540322 0.0000867 0.0000000 -0.0000867 100.8540322 0.0000000 0.0000000 0.0000000 107.2940288 -------------------------- Born effective charges -------------------------- 1 O -1.6475485 0.5359986 0.0000000 1.3705364 -3.1720374 0.0000000 0.0000000 0.0000000 0.0236825 2 O -1.6475485 0.5359986 0.0000000 1.3705364 -3.1720374 0.0000000 0.0000000 0.0000000 0.0236825 3 O -3.1720374 -1.3705364 0.0000000 -0.5359986 -1.6475485 0.0000000 0.0000000 0.0000000 0.0236825 4 O -3.1720374 -1.3705364 0.0000000 -0.5359986 -1.6475485 0.0000000 0.0000000 0.0000000 0.0236825 5 Na 0.9504438 0.2891102 0.0000000 0.2183916 1.3940032 0.0000000 0.0000000 0.0000000 0.5672235 6 Na 0.9504438 0.2891102 0.0000000 0.2183916 1.3940032 0.0000000 0.0000000 0.0000000 0.5672235 7 Na 1.3940032 -0.2183916 0.0000000 -0.2891102 0.9504438 0.0000000 0.0000000 0.0000000 0.5672235 8 Na 1.3940032 -0.2183916 0.0000000 -0.2891102 0.9504438 0.0000000 0.0000000 0.0000000 0.5672235 9 Ir 4.9502778 1.5276385 0.0000000 -1.5276385 4.9502778 0.0000000 0.0000000 0.0000000 -2.3636242 ---------------------------------------------------------------------------- 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[ 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[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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: 0.00000013 (yzz) 0.00000013 (yzz) 0.00000013 (yzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000023 (xy) 0.00000023 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:29:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:29:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/m (87) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.545533925000000 3.545533925000000 2.348974920000000 b 3.545533925000000 -3.545533925000000 2.348974920000000 c 3.545533925000000 3.545533925000000 -2.348974920000000 Atomic positions (fractional): 1 O 0.74370839852165 0.08486671117119 0.82857510969283 15.999 2 O 0.25629160147835 0.91513328882881 0.17142489030717 15.999 3 O 0.91513328882881 0.74370839852165 0.65884168735046 15.999 4 O 0.08486671117119 0.25629160147835 0.34115831264954 15.999 5 Na 0.41093010055264 0.19958341636715 0.61051351691979 22.990 6 Na 0.58906989944736 0.80041658363285 0.38948648308021 22.990 7 Na 0.80041658363285 0.41093010055264 0.21134668418549 22.990 8 Na 0.19958341636715 0.58906989944736 0.78865331581451 22.990 9 Ir 0.00000000000000 0.00000000000000 0.00000000000000 192.217 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.182135700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.182135700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.395899679999999 Atomic positions (fractional): 1 O 0.29243335558559 0.12185419926082 0.25000000000000 15.999 > 1 2 O 0.79243335558559 0.12185419926082 0.25000000000000 15.999 > 1 3 O 0.29243335558559 0.62185419926082 0.25000000000000 15.999 > 1 4 O 0.79243335558559 0.62185419926082 0.25000000000000 15.999 > 1 5 O 0.29243335558559 0.12185419926082 0.75000000000000 15.999 > 1 6 O 0.79243335558559 0.12185419926082 0.75000000000000 15.999 > 1 7 O 0.29243335558559 0.62185419926082 0.75000000000000 15.999 > 1 8 O 0.79243335558559 0.62185419926082 0.75000000000000 15.999 > 1 9 O 0.20756664441441 0.37814580073918 0.25000000000000 15.999 > 9 10 O 0.70756664441441 0.37814580073918 0.25000000000000 15.999 > 9 11 O 0.20756664441441 0.87814580073918 0.25000000000000 15.999 > 9 12 O 0.70756664441441 0.87814580073918 0.25000000000000 15.999 > 9 13 O 0.20756664441441 0.37814580073918 0.75000000000000 15.999 > 9 14 O 0.70756664441441 0.37814580073918 0.75000000000000 15.999 > 9 15 O 0.20756664441441 0.87814580073918 0.75000000000000 15.999 > 9 16 O 0.70756664441441 0.87814580073918 0.75000000000000 15.999 > 9 17 O 0.37185419926082 0.45756664441441 0.00000000000000 15.999 > 17 18 O 0.87185419926082 0.45756664441441 0.00000000000000 15.999 > 17 19 O 0.37185419926082 0.95756664441441 0.00000000000000 15.999 > 17 20 O 0.87185419926082 0.95756664441441 0.00000000000000 15.999 > 17 21 O 0.37185419926082 0.45756664441441 0.50000000000000 15.999 > 17 22 O 0.87185419926082 0.45756664441441 0.50000000000000 15.999 > 17 23 O 0.37185419926082 0.95756664441441 0.50000000000000 15.999 > 17 24 O 0.87185419926082 0.95756664441441 0.50000000000000 15.999 > 17 25 O 0.12814580073918 0.04243335558559 0.00000000000000 15.999 > 25 26 O 0.62814580073918 0.04243335558559 0.00000000000000 15.999 > 25 27 O 0.12814580073918 0.54243335558559 0.00000000000000 15.999 > 25 28 O 0.62814580073918 0.54243335558559 0.00000000000000 15.999 > 25 29 O 0.12814580073918 0.04243335558559 0.50000000000000 15.999 > 25 30 O 0.62814580073918 0.04243335558559 0.50000000000000 15.999 > 25 31 O 0.12814580073918 0.54243335558559 0.50000000000000 15.999 > 25 32 O 0.62814580073918 0.54243335558559 0.50000000000000 15.999 > 25 33 O 0.04243335558559 0.37185419926082 0.00000000000000 15.999 > 1 34 O 0.54243335558559 0.37185419926082 0.00000000000000 15.999 > 1 35 O 0.04243335558559 0.87185419926082 0.00000000000000 15.999 > 1 36 O 0.54243335558559 0.87185419926082 0.00000000000000 15.999 > 1 37 O 0.04243335558559 0.37185419926082 0.50000000000000 15.999 > 1 38 O 0.54243335558559 0.37185419926082 0.50000000000000 15.999 > 1 39 O 0.04243335558559 0.87185419926082 0.50000000000000 15.999 > 1 40 O 0.54243335558559 0.87185419926082 0.50000000000000 15.999 > 1 41 O 0.45756664441441 0.12814580073918 0.00000000000000 15.999 > 9 42 O 0.95756664441441 0.12814580073918 0.00000000000000 15.999 > 9 43 O 0.45756664441441 0.62814580073918 0.00000000000000 15.999 > 9 44 O 0.95756664441441 0.62814580073918 0.00000000000000 15.999 > 9 45 O 0.45756664441441 0.12814580073918 0.50000000000000 15.999 > 9 46 O 0.95756664441441 0.12814580073918 0.50000000000000 15.999 > 9 47 O 0.45756664441441 0.62814580073918 0.50000000000000 15.999 > 9 48 O 0.95756664441441 0.62814580073918 0.50000000000000 15.999 > 9 49 O 0.12185419926082 0.20756664441441 0.25000000000000 15.999 > 17 50 O 0.62185419926082 0.20756664441441 0.25000000000000 15.999 > 17 51 O 0.12185419926082 0.70756664441441 0.25000000000000 15.999 > 17 52 O 0.62185419926082 0.70756664441441 0.25000000000000 15.999 > 17 53 O 0.12185419926082 0.20756664441441 0.75000000000000 15.999 > 17 54 O 0.62185419926082 0.20756664441441 0.75000000000000 15.999 > 17 55 O 0.12185419926082 0.70756664441441 0.75000000000000 15.999 > 17 56 O 0.62185419926082 0.70756664441441 0.75000000000000 15.999 > 17 57 O 0.37814580073918 0.29243335558559 0.25000000000000 15.999 > 25 58 O 0.87814580073918 0.29243335558559 0.25000000000000 15.999 > 25 59 O 0.37814580073918 0.79243335558559 0.25000000000000 15.999 > 25 60 O 0.87814580073918 0.79243335558559 0.25000000000000 15.999 > 25 61 O 0.37814580073918 0.29243335558559 0.75000000000000 15.999 > 25 62 O 0.87814580073918 0.29243335558559 0.75000000000000 15.999 > 25 63 O 0.37814580073918 0.79243335558559 0.75000000000000 15.999 > 25 64 O 0.87814580073918 0.79243335558559 0.75000000000000 15.999 > 25 65 Na 0.34979170818357 0.45546505027632 0.25000000000000 22.990 > 65 66 Na 0.84979170818357 0.45546505027632 0.25000000000000 22.990 > 65 67 Na 0.34979170818357 0.95546505027632 0.25000000000000 22.990 > 65 68 Na 0.84979170818357 0.95546505027632 0.25000000000000 22.990 > 65 69 Na 0.34979170818357 0.45546505027632 0.75000000000000 22.990 > 65 70 Na 0.84979170818357 0.45546505027632 0.75000000000000 22.990 > 65 71 Na 0.34979170818357 0.95546505027632 0.75000000000000 22.990 > 65 72 Na 0.84979170818357 0.95546505027632 0.75000000000000 22.990 > 65 73 Na 0.15020829181643 0.04453494972368 0.25000000000000 22.990 > 73 74 Na 0.65020829181643 0.04453494972368 0.25000000000000 22.990 > 73 75 Na 0.15020829181643 0.54453494972368 0.25000000000000 22.990 > 73 76 Na 0.65020829181643 0.54453494972368 0.25000000000000 22.990 > 73 77 Na 0.15020829181643 0.04453494972368 0.75000000000000 22.990 > 73 78 Na 0.65020829181643 0.04453494972368 0.75000000000000 22.990 > 73 79 Na 0.15020829181643 0.54453494972368 0.75000000000000 22.990 > 73 80 Na 0.65020829181643 0.54453494972368 0.75000000000000 22.990 > 73 81 Na 0.20546505027632 0.40020829181643 0.00000000000000 22.990 > 81 82 Na 0.70546505027632 0.40020829181643 0.00000000000000 22.990 > 81 83 Na 0.20546505027632 0.90020829181643 0.00000000000000 22.990 > 81 84 Na 0.70546505027632 0.90020829181643 0.00000000000000 22.990 > 81 85 Na 0.20546505027632 0.40020829181643 0.50000000000000 22.990 > 81 86 Na 0.70546505027632 0.40020829181643 0.50000000000000 22.990 > 81 87 Na 0.20546505027632 0.90020829181643 0.50000000000000 22.990 > 81 88 Na 0.70546505027632 0.90020829181643 0.50000000000000 22.990 > 81 89 Na 0.29453494972368 0.09979170818357 0.00000000000000 22.990 > 89 90 Na 0.79453494972368 0.09979170818357 0.00000000000000 22.990 > 89 91 Na 0.29453494972368 0.59979170818357 0.00000000000000 22.990 > 89 92 Na 0.79453494972368 0.59979170818357 0.00000000000000 22.990 > 89 93 Na 0.29453494972368 0.09979170818357 0.50000000000000 22.990 > 89 94 Na 0.79453494972368 0.09979170818357 0.50000000000000 22.990 > 89 95 Na 0.29453494972368 0.59979170818357 0.50000000000000 22.990 > 89 96 Na 0.79453494972368 0.59979170818357 0.50000000000000 22.990 > 89 97 Na 0.09979170818357 0.20546505027632 0.00000000000000 22.990 > 65 98 Na 0.59979170818357 0.20546505027632 0.00000000000000 22.990 > 65 99 Na 0.09979170818357 0.70546505027632 0.00000000000000 22.990 > 65 100 Na 0.59979170818357 0.70546505027632 0.00000000000000 22.990 > 65 101 Na 0.09979170818357 0.20546505027632 0.50000000000000 22.990 > 65 102 Na 0.59979170818357 0.20546505027632 0.50000000000000 22.990 > 65 103 Na 0.09979170818357 0.70546505027632 0.50000000000000 22.990 > 65 104 Na 0.59979170818357 0.70546505027632 0.50000000000000 22.990 > 65 105 Na 0.40020829181643 0.29453494972368 0.00000000000000 22.990 > 73 106 Na 0.90020829181643 0.29453494972368 0.00000000000000 22.990 > 73 107 Na 0.40020829181643 0.79453494972368 0.00000000000000 22.990 > 73 108 Na 0.90020829181643 0.79453494972368 0.00000000000000 22.990 > 73 109 Na 0.40020829181643 0.29453494972368 0.50000000000000 22.990 > 73 110 Na 0.90020829181643 0.29453494972368 0.50000000000000 22.990 > 73 111 Na 0.40020829181643 0.79453494972368 0.50000000000000 22.990 > 73 112 Na 0.90020829181643 0.79453494972368 0.50000000000000 22.990 > 73 113 Na 0.45546505027632 0.15020829181643 0.25000000000000 22.990 > 81 114 Na 0.95546505027632 0.15020829181643 0.25000000000000 22.990 > 81 115 Na 0.45546505027632 0.65020829181643 0.25000000000000 22.990 > 81 116 Na 0.95546505027632 0.65020829181643 0.25000000000000 22.990 > 81 117 Na 0.45546505027632 0.15020829181643 0.75000000000000 22.990 > 81 118 Na 0.95546505027632 0.15020829181643 0.75000000000000 22.990 > 81 119 Na 0.45546505027632 0.65020829181643 0.75000000000000 22.990 > 81 120 Na 0.95546505027632 0.65020829181643 0.75000000000000 22.990 > 81 121 Na 0.04453494972368 0.34979170818357 0.25000000000000 22.990 > 89 122 Na 0.54453494972368 0.34979170818357 0.25000000000000 22.990 > 89 123 Na 0.04453494972368 0.84979170818357 0.25000000000000 22.990 > 89 124 Na 0.54453494972368 0.84979170818357 0.25000000000000 22.990 > 89 125 Na 0.04453494972368 0.34979170818357 0.75000000000000 22.990 > 89 126 Na 0.54453494972368 0.34979170818357 0.75000000000000 22.990 > 89 127 Na 0.04453494972368 0.84979170818357 0.75000000000000 22.990 > 89 128 Na 0.54453494972368 0.84979170818357 0.75000000000000 22.990 > 89 129 Ir 0.00000000000000 0.00000000000000 0.00000000000000 192.217 > 129 130 Ir 0.50000000000000 0.00000000000000 0.00000000000000 192.217 > 129 131 Ir 0.00000000000000 0.50000000000000 0.00000000000000 192.217 > 129 132 Ir 0.50000000000000 0.50000000000000 0.00000000000000 192.217 > 129 133 Ir 0.00000000000000 0.00000000000000 0.50000000000000 192.217 > 129 134 Ir 0.50000000000000 0.00000000000000 0.50000000000000 192.217 > 129 135 Ir 0.00000000000000 0.50000000000000 0.50000000000000 192.217 > 129 136 Ir 0.50000000000000 0.50000000000000 0.50000000000000 192.217 > 129 137 Ir 0.25000000000000 0.25000000000000 0.25000000000000 192.217 > 129 138 Ir 0.75000000000000 0.25000000000000 0.25000000000000 192.217 > 129 139 Ir 0.25000000000000 0.75000000000000 0.25000000000000 192.217 > 129 140 Ir 0.75000000000000 0.75000000000000 0.25000000000000 192.217 > 129 141 Ir 0.25000000000000 0.25000000000000 0.75000000000000 192.217 > 129 142 Ir 0.75000000000000 0.25000000000000 0.75000000000000 192.217 > 129 143 Ir 0.25000000000000 0.75000000000000 0.75000000000000 192.217 > 129 144 Ir 0.75000000000000 0.75000000000000 0.75000000000000 192.217 > 129 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 100.8540322 0.0000867 0.0000000 -0.0000867 100.8540322 0.0000000 0.0000000 0.0000000 107.2940288 -------------------------- Born effective charges -------------------------- 1 O -1.6475485 0.5359986 0.0000000 1.3705364 -3.1720374 0.0000000 0.0000000 0.0000000 0.0236825 2 O -1.6475485 0.5359986 0.0000000 1.3705364 -3.1720374 0.0000000 0.0000000 0.0000000 0.0236825 3 O -3.1720374 -1.3705364 0.0000000 -0.5359986 -1.6475485 0.0000000 0.0000000 0.0000000 0.0236825 4 O -3.1720374 -1.3705364 0.0000000 -0.5359986 -1.6475485 0.0000000 0.0000000 0.0000000 0.0236825 5 Na 0.9504438 0.2891102 0.0000000 0.2183916 1.3940032 0.0000000 0.0000000 0.0000000 0.5672235 6 Na 0.9504438 0.2891102 0.0000000 0.2183916 1.3940032 0.0000000 0.0000000 0.0000000 0.5672235 7 Na 1.3940032 -0.2183916 0.0000000 -0.2891102 0.9504438 0.0000000 0.0000000 0.0000000 0.5672235 8 Na 1.3940032 -0.2183916 0.0000000 -0.2891102 0.9504438 0.0000000 0.0000000 0.0000000 0.5672235 9 Ir 4.9502778 1.5276385 0.0000000 -1.5276385 4.9502778 0.0000000 0.0000000 0.0000000 -2.3636242 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000013 (yzz) 0.00000013 (yzz) 0.00000013 (yzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 7 154 ] Grid generation matrix: [ 0 7 7 ] [ -7 0 -7 ] [ -11 -11 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.85, Number of G-points: 303, Lambda: 0.90 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/156) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 156 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 4.473 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 4.979 ( 0.000 0.000 0.000) 0.000 5.370 ( 0.000 0.000 0.000) 0.000 5.453 ( 0.000 0.000 0.000) 0.000 6.003 ( 0.000 0.000 0.000) 0.000 6.604 ( 0.000 0.000 0.000) 0.000 6.675 ( 0.000 0.000 0.000) 0.000 6.675 ( 0.000 0.000 0.000) 0.000 6.762 ( 0.000 0.000 0.000) 0.000 8.648 ( 0.000 0.000 0.000) 0.000 8.648 ( 0.000 0.000 0.000) 0.000 8.811 ( 0.000 0.000 0.000) 0.000 9.612 ( 0.000 0.000 0.000) 0.000 9.845 ( 0.000 0.000 0.000) 0.000 10.360 ( 0.000 0.000 0.000) 0.000 10.360 ( 0.000 0.000 0.000) 0.000 12.943 ( 0.000 0.000 0.000) 0.000 14.062 ( 0.000 0.000 0.000) 0.000 17.494 ( 0.000 0.000 0.000) 0.000 17.494 ( 0.000 0.000 0.000) 0.000 21.154 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/156) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 15.099 13.751 -0.000) 20.422 0.710 ( 28.721 6.479 -0.000) 29.443 1.301 ( 24.232 34.509 0.000) 42.167 4.139 ( -15.222 -21.139 -0.000) 26.049 4.287 ( -9.407 -8.355 0.000) 12.582 4.482 ( -0.241 0.036 0.000) 0.244 4.742 ( -6.740 9.132 0.000) 11.350 5.320 ( -5.005 -2.053 0.000) 5.410 5.400 ( 17.159 4.434 -0.000) 17.723 5.475 ( 3.761 -0.128 -0.000) 3.763 6.009 ( -1.161 2.465 0.000) 2.725 6.340 ( -7.092 -11.402 -0.000) 13.427 6.664 ( 0.709 3.107 0.000) 3.187 6.727 ( -1.430 4.963 0.000) 5.165 6.971 ( 5.563 1.309 -0.000) 5.715 8.591 ( -2.518 -2.534 -0.000) 3.573 8.674 ( -5.103 -5.730 -0.000) 7.673 8.678 ( 0.958 1.965 0.000) 2.186 9.622 ( 0.576 0.289 -0.000) 0.644 9.925 ( 4.292 3.387 -0.000) 5.468 10.436 ( 5.505 0.867 -0.000) 5.573 10.671 ( 6.270 10.246 0.000) 12.012 12.819 ( -5.037 -4.878 0.000) 7.012 14.038 ( -1.333 -1.203 0.000) 1.796 17.501 ( -1.715 1.502 0.000) 2.280 17.752 ( 7.660 4.690 -0.000) 8.982 21.035 ( -6.006 -5.804 0.000) 8.352 ======================= Grid point 2 (3/156) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 18.894 15.715 -0.000) 24.575 1.416 ( 25.881 8.401 -0.000) 27.211 2.266 ( 15.093 20.554 0.000) 25.500 3.379 ( -17.325 -20.842 -0.000) 27.102 3.835 ( -14.135 -11.083 0.000) 17.962 4.580 ( 3.842 6.494 0.000) 7.545 4.776 ( -9.848 10.258 0.000) 14.220 5.112 ( -6.030 -5.207 0.000) 7.967 5.559 ( 2.814 0.049 -0.000) 2.815 5.757 ( 23.540 -9.021 -0.000) 25.209 6.070 ( 0.303 -6.264 -0.000) 6.271 6.072 ( -7.721 11.974 0.000) 14.248 6.688 ( -0.635 -2.274 -0.000) 2.361 6.799 ( -5.775 6.299 0.000) 8.546 7.048 ( 3.909 -0.503 -0.000) 3.941 8.476 ( -3.129 -2.508 0.000) 4.010 8.488 ( -2.182 -3.715 -0.000) 4.308 8.767 ( 1.334 4.425 0.000) 4.621 9.629 ( 0.383 -1.074 -0.000) 1.140 10.135 ( 7.592 4.545 -0.000) 8.849 10.577 ( 6.126 0.228 -0.000) 6.130 10.977 ( 3.996 7.343 0.000) 8.360 12.698 ( 0.144 0.574 0.000) 0.592 13.940 ( -5.122 -2.296 0.000) 5.613 17.500 ( -3.307 3.831 0.000) 5.061 18.150 ( 17.524 8.802 -0.000) 19.611 20.686 ( -11.748 -10.456 0.000) 15.727 ======================= Grid point 3 (4/156) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 19.691 16.523 -0.000) 25.705 2.009 ( 13.848 6.322 -0.000) 15.222 2.623 ( -18.730 -18.080 0.000) 26.033 2.751 ( 6.667 7.166 0.000) 9.788 3.353 ( -11.468 -7.697 0.000) 13.811 4.715 ( 0.065 -1.080 -0.000) 1.081 4.766 ( -4.488 3.783 0.000) 5.870 5.035 ( 0.774 3.773 0.000) 3.852 5.583 ( -0.111 1.161 0.000) 1.167 5.999 ( 21.257 -12.298 -0.000) 24.559 6.105 ( 6.422 0.249 -0.000) 6.426 6.119 ( -14.654 13.898 0.000) 20.197 6.506 ( -4.056 -8.582 -0.000) 9.492 6.754 ( -5.448 3.278 0.000) 6.358 7.139 ( 2.272 1.290 -0.000) 2.612 8.391 ( -1.343 -0.971 0.000) 1.658 8.444 ( 0.505 -0.315 -0.000) 0.595 8.881 ( 0.849 3.268 0.000) 3.377 9.596 ( -0.061 -1.644 -0.000) 1.646 10.341 ( 4.043 2.308 -0.000) 4.655 10.643 ( 0.635 -0.160 -0.000) 0.655 11.145 ( 3.630 1.893 -0.000) 4.094 12.792 ( 1.976 2.693 0.000) 3.340 13.784 ( -4.026 -1.674 0.000) 4.360 17.515 ( -1.382 1.996 0.000) 2.428 18.704 ( 14.045 8.350 -0.000) 16.339 20.218 ( -10.665 -8.687 0.000) 13.755 ======================= Grid point 7 (5/156) ======================= q-point: ( 0.28 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -8.287 15.137 10.569) 20.236 1.713 ( 3.167 19.444 10.460) 22.305 2.693 ( 0.796 11.410 23.023) 25.708 4.143 ( 6.526 -7.506 1.459) 10.052 4.331 ( -3.817 4.059 4.072) 6.902 4.909 ( -2.212 -11.976 23.501) 26.469 5.109 ( 0.277 -3.831 2.976) 4.859 5.188 ( 3.617 -6.693 8.658) 11.525 5.346 ( -1.262 -4.976 -0.015) 5.134 5.741 ( -4.982 -2.863 4.898) 7.550 6.199 ( 3.728 -3.383 0.806) 5.098 6.442 ( -5.592 3.852 -2.919) 7.391 6.515 ( 5.988 1.835 -0.709) 6.303 6.732 ( 2.242 1.085 3.990) 4.704 6.948 ( -1.957 6.862 0.378) 7.145 8.084 ( 0.762 -1.454 -17.106) 17.184 8.174 ( -0.228 1.763 -15.043) 15.148 8.594 ( -0.194 -4.064 -0.824) 4.151 9.181 ( -0.651 -1.171 -11.804) 11.880 9.802 ( -0.079 -0.538 -4.395) 4.428 10.766 ( -6.146 3.079 6.548) 9.494 10.957 ( 4.904 11.679 6.420) 14.201 12.853 ( -0.174 -7.073 1.880) 7.320 14.095 ( 1.612 -1.881 2.187) 3.305 17.642 ( 1.876 2.881 3.774) 5.105 17.820 ( -2.903 8.818 4.295) 10.229 20.215 ( 0.371 -11.193 -21.513) 24.253 ======================= Grid point 8 (6/156) ======================= q-point: ( 0.28 -0.01 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 2.344 13.803 7.468) 15.868 2.109 ( 4.766 12.924 7.880) 15.869 2.926 ( 0.104 7.185 13.704) 15.474 3.949 ( -9.017 -6.623 1.726) 11.320 4.528 ( -2.909 1.006 29.151) 29.313 4.608 ( 1.055 0.488 7.345) 7.437 5.048 ( -0.210 0.149 -0.439) 0.509 5.084 ( 4.133 -7.371 3.683) 9.218 5.308 ( 4.309 -3.085 7.056) 8.825 5.607 ( 4.024 -7.166 4.714) 9.475 6.149 ( -1.363 -3.986 4.228) 5.968 6.430 ( -3.905 3.438 -3.211) 6.114 6.637 ( 4.177 -3.429 -5.832) 7.951 6.841 ( 2.941 5.244 3.255) 6.837 7.017 ( -2.101 3.540 3.310) 5.282 8.050 ( -0.458 -2.440 -13.788) 14.010 8.208 ( 0.109 1.869 -17.533) 17.633 8.516 ( -1.561 -1.135 0.039) 1.930 9.182 ( 2.379 -0.404 -11.502) 11.753 9.862 ( 4.255 3.022 -6.956) 8.696 10.755 ( 2.026 1.496 7.271) 7.695 11.216 ( 2.585 3.457 4.933) 6.555 12.773 ( 1.385 -0.027 1.478) 2.026 14.117 ( -6.552 8.050 -2.585) 10.697 17.859 ( 8.133 6.027 0.006) 10.123 17.910 ( 1.318 4.239 8.777) 9.836 19.914 ( -2.736 -15.806 -19.616) 25.340 ======================= Grid point 9 (7/156) ======================= q-point: ( 0.28 -0.01 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 7.531 8.324 2.919) 11.598 2.441 ( 6.064 6.759 2.876) 9.525 2.943 ( -5.242 1.106 10.598) 11.875 3.634 ( -13.005 0.597 3.496) 13.480 4.301 ( -5.960 -2.312 37.987) 38.522 4.675 ( -2.003 2.468 -1.842) 3.674 5.049 ( 6.860 -9.302 3.069) 11.958 5.287 ( 1.345 -2.264 11.729) 12.021 5.357 ( 7.893 10.415 6.690) 14.681 5.615 ( 8.795 -7.588 0.610) 11.632 6.089 ( 2.342 0.666 1.886) 3.079 6.267 ( -5.481 -7.455 -0.009) 9.253 6.663 ( -0.894 0.845 -6.971) 7.079 6.931 ( -0.094 -1.882 3.069) 3.601 7.039 ( -0.563 3.683 3.004) 4.786 7.994 ( -0.096 -1.488 -13.306) 13.390 8.232 ( 0.056 -0.602 -18.362) 18.372 8.497 ( -1.518 1.876 -0.159) 2.419 9.216 ( 2.088 -1.086 -9.989) 10.263 10.061 ( 5.940 3.437 -7.445) 10.125 10.908 ( 5.761 3.251 7.709) 10.158 11.207 ( 0.667 -4.285 3.710) 5.707 12.861 ( 2.273 1.874 0.642) 3.016 14.106 ( -16.180 13.025 -3.464) 21.058 17.890 ( -2.248 0.124 11.045) 11.273 18.322 ( 16.135 6.979 -4.075) 18.046 19.516 ( -1.708 -16.488 -16.668) 23.508 ======================= Grid point 10 (8/156) ======================= q-point: ( 0.28 -0.01 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -1.158 0.763 2.434) 2.801 2.407 ( -6.415 -8.458 -0.529) 10.629 2.926 ( -3.053 5.175 11.892) 13.324 3.561 ( -3.965 9.956 4.533) 11.635 4.266 ( 1.226 4.822 34.575) 34.932 4.749 ( -1.858 5.688 0.248) 5.989 4.951 ( 4.284 -9.441 4.794) 11.422 5.218 ( 0.095 -7.406 15.789) 17.440 5.438 ( -2.094 -3.957 4.169) 6.118 5.676 ( 10.359 -5.803 1.132) 11.928 6.055 ( 0.120 -4.613 1.407) 4.824 6.354 ( 6.996 10.164 -1.581) 12.440 6.575 ( -6.455 -0.768 -3.852) 7.556 6.844 ( -0.112 -5.548 0.024) 5.549 7.088 ( -1.282 2.109 3.304) 4.124 8.019 ( 2.398 1.713 -13.807) 14.117 8.174 ( -1.029 -3.391 -17.020) 17.385 8.502 ( -1.852 1.812 -0.346) 2.614 9.227 ( 1.411 -1.504 -10.587) 10.786 10.112 ( -2.091 -3.504 -7.773) 8.779 10.959 ( 0.222 -2.823 8.674) 9.125 11.213 ( 3.230 -1.452 2.439) 4.300 12.859 ( -2.168 -1.942 0.650) 2.983 14.023 ( -15.646 12.214 -3.069) 20.085 17.819 ( -1.932 -2.790 12.506) 12.958 18.494 ( -4.384 -6.896 -5.679) 9.952 19.447 ( 16.542 -0.872 -16.430) 23.331 ======================= Grid point 11 (9/156) ======================= q-point: ( 0.28 -0.01 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -13.504 -8.261 4.881) 16.566 2.109 ( -14.540 -4.292 5.912) 16.272 2.897 ( -7.632 1.034 15.461) 17.273 3.802 ( 6.142 9.991 2.787) 12.054 4.510 ( 3.743 2.512 11.336) 12.199 4.635 ( -3.819 3.086 20.550) 21.128 5.018 ( 6.113 1.279 4.583) 7.747 5.063 ( 3.389 -6.519 15.686) 17.322 5.363 ( 2.936 -5.489 -2.284) 6.631 5.736 ( 8.154 -6.220 3.046) 10.698 6.071 ( 3.193 1.655 1.713) 3.984 6.441 ( -6.052 3.874 -4.319) 8.384 6.641 ( 1.777 4.770 1.096) 5.207 6.693 ( -1.353 -6.634 -1.117) 6.862 7.068 ( -3.371 0.338 2.936) 4.483 8.075 ( 0.099 -1.172 -19.055) 19.091 8.149 ( 1.467 2.201 -11.135) 11.444 8.521 ( 1.055 1.532 -0.272) 1.880 9.203 ( 0.540 -2.591 -11.617) 11.915 9.908 ( -5.177 -5.508 -8.056) 11.047 10.904 ( 1.456 -4.986 7.037) 8.746 11.137 ( -7.333 -1.655 4.911) 8.980 12.779 ( -0.020 -1.126 1.556) 1.921 14.016 ( -5.965 8.802 -2.249) 10.868 17.714 ( -2.381 -2.791 9.573) 10.252 18.131 ( -10.313 -8.554 -0.763) 13.421 19.877 ( 17.419 3.893 -19.510) 26.443 ======================= Grid point 13 (10/156) ======================= q-point: ( 0.28 -0.01 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -4.157 13.323 15.554) 20.897 1.494 ( -16.887 11.645 11.631) 23.581 2.568 ( -6.673 6.126 26.063) 27.592 4.160 ( 4.936 -8.367 2.861) 10.127 4.365 ( -2.127 3.827 2.829) 5.213 5.015 ( 13.505 -11.712 21.279) 27.791 5.138 ( 0.812 -1.354 -0.124) 1.584 5.295 ( 1.672 -1.376 1.696) 2.751 5.433 ( 0.096 -4.071 8.199) 9.154 5.757 ( -1.073 7.485 6.361) 9.881 6.251 ( 0.454 -5.364 -0.138) 5.385 6.329 ( 4.654 -1.728 -0.096) 4.965 6.572 ( -5.129 4.220 -1.321) 6.772 6.720 ( -3.037 -1.958 -1.260) 3.827 6.840 ( -2.587 6.749 3.847) 8.188 8.110 ( -1.200 -1.266 -18.196) 18.279 8.138 ( 0.734 1.421 -15.276) 15.360 8.644 ( 3.506 -3.333 -1.310) 5.012 9.201 ( 0.376 0.124 -11.540) 11.547 9.832 ( 0.302 -0.577 -1.844) 1.956 10.691 ( -0.372 5.387 7.237) 9.030 10.853 ( -10.921 6.810 6.334) 14.345 12.945 ( 5.442 -5.340 1.845) 7.844 14.120 ( 4.068 -5.040 5.374) 8.416 17.647 ( -5.009 0.876 5.555) 7.531 17.696 ( -3.383 8.113 1.549) 8.926 20.330 ( 5.104 -5.299 -22.086) 23.279 ======================= Grid point 14 (11/156) ======================= q-point: (-0.44 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 1.211 -3.888 -3.574) 5.418 2.285 ( 0.924 -6.727 -3.769) 7.766 3.298 ( -0.025 -2.192 -3.722) 4.320 4.045 ( -3.129 5.558 -0.424) 6.393 4.559 ( -0.738 -3.746 -1.941) 4.283 5.039 ( 4.469 3.411 1.804) 5.905 5.242 ( -1.216 -0.011 -2.447) 2.732 5.573 ( -0.290 2.254 -7.826) 8.149 5.674 ( 1.147 1.965 -0.652) 2.367 5.960 ( -0.382 -0.521 -19.986) 19.997 6.029 ( -2.357 0.205 5.701) 6.173 6.304 ( -2.222 -0.146 5.480) 5.915 6.534 ( 8.095 0.465 -6.589) 10.448 6.841 ( -3.158 3.319 10.447) 11.407 7.246 ( -8.436 -2.679 -9.642) 13.089 7.447 ( 2.104 -1.093 7.402) 7.772 7.582 ( 4.151 -2.381 13.282) 14.118 8.531 ( -0.016 0.841 0.030) 0.841 8.812 ( 0.508 0.783 3.602) 3.721 9.612 ( -0.339 2.253 1.669) 2.824 10.985 ( 1.847 -0.273 -1.983) 2.724 11.313 ( -1.178 -4.564 -2.057) 5.143 12.802 ( 0.199 1.966 -0.333) 2.004 14.106 ( -0.997 4.303 -1.893) 4.806 17.824 ( 0.382 -1.669 -1.548) 2.309 18.418 ( 0.807 -11.813 -16.482) 20.294 19.072 ( -0.759 11.943 22.573) 25.549 ======================= Grid point 15 (12/156) ======================= q-point: (-0.44 -0.01 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 5.397 -5.443 -6.135) 9.818 2.143 ( 3.969 -11.380 -8.704) 14.866 3.231 ( -0.379 -2.229 -5.470) 5.919 4.072 ( -7.724 10.849 -1.669) 13.422 4.557 ( 3.570 -0.768 -3.059) 4.763 5.134 ( -3.442 -3.520 2.906) 5.717 5.239 ( 2.316 3.520 -1.869) 4.610 5.619 ( -0.340 2.669 -4.701) 5.416 5.704 ( -1.592 0.378 3.106) 3.510 5.982 ( 0.205 1.947 -15.805) 15.926 6.074 ( 5.029 -0.564 2.326) 5.569 6.240 ( -2.799 1.744 0.188) 3.303 6.630 ( 1.876 -4.124 -1.368) 4.733 6.916 ( 0.660 7.495 9.236) 11.912 7.007 ( -4.048 -2.821 -2.609) 5.582 7.429 ( 0.831 -2.931 -0.880) 3.171 7.600 ( 2.958 -4.937 13.668) 14.830 8.552 ( -1.317 2.203 0.251) 2.579 8.856 ( 1.174 -0.053 3.811) 3.988 9.727 ( 2.380 4.350 -0.407) 4.975 11.036 ( 3.007 -3.286 -1.979) 4.874 11.165 ( 2.291 -6.128 -3.391) 7.369 12.873 ( 0.289 2.594 0.481) 2.654 14.218 ( -8.625 13.948 -9.155) 18.782 17.868 ( 7.099 -2.200 -2.841) 7.957 18.181 ( 2.357 -13.174 -13.275) 18.850 19.240 ( -3.175 8.018 24.823) 26.279 ======================= Grid point 16 (13/156) ======================= q-point: (-0.44 -0.01 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 4.709 -5.665 -10.694) 12.986 2.116 ( 9.537 -3.600 -5.937) 11.797 3.235 ( 2.487 0.221 -5.452) 5.997 4.152 ( -8.260 9.865 -0.604) 12.881 4.564 ( 2.921 -5.878 -3.450) 7.415 5.019 ( -3.207 1.530 3.245) 4.812 5.270 ( -0.899 -0.367 -2.841) 3.002 5.637 ( -2.560 -0.308 1.364) 2.917 5.670 ( -0.966 1.744 -3.974) 4.446 5.984 ( -2.244 0.228 -17.626) 17.769 6.088 ( 2.940 -4.565 8.048) 9.708 6.334 ( 0.851 4.456 -1.427) 4.756 6.486 ( -4.643 -2.786 0.397) 5.430 6.915 ( 0.223 -0.467 -3.333) 3.373 7.210 ( 6.238 4.990 5.892) 9.926 7.396 ( 1.385 0.701 4.670) 4.921 7.506 ( 1.280 -6.774 11.110) 13.075 8.551 ( -2.128 1.238 0.234) 2.473 8.845 ( -0.701 -1.071 3.459) 3.688 9.748 ( -3.594 -2.261 -0.877) 4.336 10.968 ( 1.203 -2.749 -4.749) 5.618 11.221 ( 7.535 -2.489 -1.516) 8.079 12.869 ( -2.852 -0.290 0.352) 2.888 14.232 ( -13.011 8.555 -7.730) 17.384 17.873 ( 1.878 -7.278 -4.565) 8.794 18.163 ( 12.459 -2.070 -12.341) 17.658 19.248 ( -7.362 3.077 24.953) 26.198 ======================= Grid point 18 (14/156) ======================= q-point: (-0.44 -0.01 0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 1.711 6.918 4.435) 8.393 2.325 ( -3.994 0.538 0.572) 4.070 3.294 ( 0.048 -2.156 -2.005) 2.945 3.945 ( 6.778 -8.831 -3.411) 11.643 4.634 ( 1.249 2.335 0.607) 2.717 4.998 ( -4.775 1.090 -0.758) 4.956 5.250 ( 1.542 0.632 -0.924) 1.905 5.535 ( -1.480 0.199 -10.893) 10.995 5.666 ( -0.943 1.237 -2.131) 2.638 6.002 ( 3.407 1.075 -16.258) 16.646 6.024 ( -1.981 3.586 -1.725) 4.445 6.324 ( 1.393 0.569 4.951) 5.174 6.620 ( -2.331 -2.073 6.276) 7.008 6.816 ( 1.639 7.816 -4.661) 9.246 7.067 ( -0.974 -10.016 -2.401) 10.345 7.478 ( -0.715 -1.206 3.585) 3.850 7.617 ( -2.064 2.584 12.761) 13.183 8.520 ( 1.058 -1.063 0.142) 1.506 8.848 ( -0.448 2.999 3.911) 4.949 9.721 ( 3.713 6.648 4.316) 8.753 11.038 ( -1.258 4.764 -0.147) 4.930 11.322 ( -2.221 -0.830 -1.611) 2.866 12.828 ( 1.210 2.385 -0.124) 2.678 14.086 ( 10.329 -7.318 3.136) 13.041 17.955 ( 1.499 8.196 2.345) 8.656 18.617 ( 5.229 0.292 -14.039) 14.984 18.776 ( -12.332 -1.767 12.828) 17.881 ======================= Grid point 19 (15/156) ======================= q-point: ( 0.56 -0.01 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -7.297 1.356 2.880) 7.961 2.337 ( -1.448 7.974 4.946) 9.494 3.253 ( 0.938 -1.622 -1.564) 2.441 3.903 ( 9.643 -11.411 -2.100) 15.087 4.643 ( 0.170 -2.427 1.683) 2.959 5.022 ( -0.885 7.083 -3.898) 8.133 5.264 ( -0.956 -1.403 -3.910) 4.262 5.535 ( -0.500 1.577 -6.137) 6.357 5.664 ( -1.657 0.654 -4.620) 4.951 6.071 ( -2.397 5.304 -4.452) 7.328 6.141 ( 4.119 4.262 -10.437) 12.002 6.291 ( -3.994 -2.902 0.424) 4.956 6.457 ( -1.014 -8.350 -4.011) 9.319 6.865 ( -3.653 -1.836 6.069) 7.318 7.069 ( 5.496 5.947 2.755) 8.554 7.445 ( -1.221 1.525 2.784) 3.401 7.638 ( -0.377 0.523 10.335) 10.355 8.523 ( 1.706 -1.815 0.394) 2.522 8.882 ( -1.919 2.430 3.179) 4.438 9.833 ( -2.766 0.618 4.381) 5.218 11.133 ( -2.610 5.147 1.720) 6.022 11.217 ( -3.470 0.348 -3.744) 5.117 12.881 ( -0.474 0.644 0.053) 0.801 14.151 ( 13.927 -12.579 7.134) 20.077 18.078 ( -6.164 3.564 2.983) 7.720 18.552 ( -7.524 8.676 14.255) 18.306 18.722 ( 4.257 -3.452 -18.471) 19.267 ======================= Grid point 20 (16/156) ======================= q-point: (-0.44 -0.01 -0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( -4.121 -0.738 -0.765) 4.256 2.378 ( -2.868 0.182 1.598) 3.288 3.288 ( 2.402 0.364 -2.059) 3.184 3.933 ( 8.131 -2.543 0.029) 8.519 4.613 ( -1.139 0.803 1.567) 2.097 5.106 ( -5.260 -4.255 -3.097) 7.440 5.180 ( 2.989 2.082 -2.371) 4.347 5.554 ( -1.207 1.670 -6.047) 6.388 5.639 ( -0.647 0.361 -5.344) 5.395 6.047 ( -3.869 -3.345 -17.945) 18.659 6.118 ( -5.742 0.328 2.772) 6.385 6.291 ( 0.679 3.982 3.438) 5.305 6.384 ( 6.515 -2.820 -7.018) 9.983 6.833 ( -2.896 3.551 7.875) 9.111 7.270 ( 5.592 2.615 3.629) 7.161 7.443 ( -2.580 0.641 2.300) 3.515 7.607 ( -0.517 -2.132 10.363) 10.593 8.519 ( 1.144 -0.994 0.102) 1.519 8.852 ( -3.208 -0.233 3.361) 4.652 9.687 ( -5.996 -2.443 3.100) 7.178 11.025 ( -4.544 -1.042 -3.711) 5.959 11.317 ( 1.094 3.915 0.018) 4.065 12.829 ( -2.489 -1.413 -0.369) 2.885 14.118 ( 6.628 -9.860 6.300) 13.448 17.922 ( -7.485 -0.613 0.677) 7.540 18.589 ( 1.010 -5.801 -16.483) 17.503 18.823 ( 0.026 11.901 15.539) 19.573 ======================= Grid point 21 (17/156) ======================= q-point: (-0.16 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 10.587 -16.433 -14.667) 24.439 1.040 ( -7.822 -23.595 -13.369) 28.225 1.863 ( -0.480 -10.739 -37.120) 38.645 4.256 ( -3.072 4.374 1.229) 5.484 4.276 ( 2.795 2.068 0.710) 3.549 4.847 ( 2.259 16.917 -15.292) 22.916 5.093 ( -5.190 7.839 -14.360) 17.164 5.194 ( 0.005 0.494 3.957) 3.987 5.393 ( 0.660 -2.593 -0.109) 2.678 5.533 ( 2.995 -9.595 -7.867) 12.764 6.206 ( -0.873 2.554 -6.220) 6.780 6.470 ( 8.166 5.633 1.308) 10.007 6.513 ( -7.315 0.127 3.016) 7.913 6.688 ( -3.309 -1.200 -0.020) 3.520 6.834 ( 2.485 -8.739 3.830) 9.860 8.396 ( 0.689 1.019 12.168) 12.230 8.411 ( -0.878 -0.486 11.678) 11.721 8.713 ( 0.121 4.979 1.347) 5.159 9.411 ( 0.141 0.368 9.675) 9.683 9.858 ( 0.008 -0.428 1.107) 1.187 10.553 ( 4.789 -5.097 -5.845) 9.114 10.603 ( -4.552 -9.958 -5.700) 12.344 12.959 ( -0.003 6.910 -3.099) 7.573 14.083 ( -0.207 1.635 -2.593) 3.073 17.550 ( -2.919 -1.640 -1.428) 3.640 17.603 ( 3.022 -6.626 -1.731) 7.485 20.761 ( -0.051 5.824 16.464) 17.464 ======================= Grid point 23 (18/156) ======================= q-point: (-0.16 -0.02 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 21.622 3.088 -10.662) 24.305 1.593 ( 19.177 10.772 -10.028) 24.174 2.263 ( 15.918 10.209 -24.532) 30.975 3.929 ( -9.917 -10.688 -2.036) 14.722 4.295 ( -8.343 -11.154 -14.555) 20.146 4.453 ( -2.660 1.758 -3.683) 4.871 4.906 ( -11.386 6.648 -14.696) 19.744 5.134 ( -3.831 -2.208 2.835) 5.252 5.438 ( 0.556 1.453 2.356) 2.823 5.778 ( 1.949 6.136 -3.311) 7.239 6.107 ( -3.705 -1.782 -2.307) 4.715 6.336 ( 4.743 -8.473 -2.411) 10.005 6.612 ( -1.000 8.696 -1.184) 8.834 6.700 ( 0.433 0.959 1.424) 1.771 6.990 ( 5.121 -1.536 2.994) 6.128 8.359 ( -1.093 -3.227 8.569) 9.222 8.405 ( -1.258 2.550 13.073) 13.378 8.584 ( -3.706 -2.675 0.835) 4.646 9.423 ( 0.161 1.261 10.006) 10.087 9.935 ( 4.885 3.334 5.023) 7.759 10.721 ( 7.407 -0.755 -6.359) 9.791 10.879 ( 6.708 10.087 -4.704) 12.995 12.781 ( -4.213 -2.682 -2.369) 5.528 14.002 ( -1.169 -4.857 0.253) 5.002 17.549 ( -0.263 1.654 -5.010) 5.282 17.914 ( 12.573 8.060 1.181) 14.981 20.526 ( -12.194 -5.007 15.748) 20.537 ======================= Grid point 24 (19/156) ======================= q-point: (-0.16 -0.02 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 17.798 6.708 -6.616) 20.138 2.102 ( 15.499 6.563 -10.251) 19.708 2.657 ( 4.582 3.487 -8.669) 10.407 3.534 ( -8.416 -7.852 -8.706) 14.432 3.728 ( -9.986 -15.682 -23.589) 30.035 4.678 ( 5.628 4.286 -0.008) 7.075 4.901 ( -6.309 9.885 -14.312) 18.503 5.007 ( -1.458 0.640 0.306) 1.621 5.446 ( -2.591 1.027 1.263) 3.059 5.858 ( -3.788 4.502 2.051) 6.231 6.036 ( -3.655 3.982 -2.811) 6.093 6.401 ( 12.062 -4.320 -1.222) 12.870 6.584 ( -7.995 -3.963 3.243) 9.494 6.769 ( 2.133 2.373 -4.319) 5.370 7.039 ( 1.758 0.926 1.611) 2.558 8.264 ( -1.533 -2.758 7.854) 8.464 8.452 ( -0.366 1.754 6.307) 6.557 8.512 ( 0.382 0.988 8.300) 8.368 9.441 ( -0.410 0.230 9.036) 9.048 10.155 ( 6.647 4.471 6.079) 10.056 10.807 ( 0.455 1.069 -7.715) 7.802 11.147 ( 3.261 5.515 -3.640) 7.369 12.772 ( 3.809 1.014 -1.015) 4.071 13.874 ( 2.512 -7.739 1.137) 8.215 17.602 ( -0.263 3.658 -7.805) 8.623 18.397 ( 14.175 10.787 4.251) 18.313 20.098 ( -16.790 -6.670 14.040) 22.881 ======================= Grid point 25 (20/156) ======================= q-point: (-0.16 -0.02 -0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -3.786 -4.222 -2.371) 6.146 2.503 ( -3.405 -3.205 -3.008) 5.561 2.587 ( 6.478 0.755 -12.646) 14.229 3.340 ( 5.776 -2.501 -4.300) 7.623 3.492 ( 2.037 -1.167 -33.923) 34.005 4.680 ( 1.050 -2.973 2.063) 3.768 4.994 ( -1.474 6.955 -11.748) 13.732 5.168 ( 1.760 3.457 -3.175) 5.013 5.387 ( -6.304 1.695 -0.725) 6.568 5.810 ( -8.016 3.034 2.775) 9.009 6.150 ( 1.477 7.437 -2.882) 8.112 6.258 ( -10.008 -3.591 3.165) 11.094 6.571 ( 11.943 -5.393 -1.691) 13.213 6.831 ( 2.859 -0.456 -3.783) 4.764 7.067 ( -2.379 1.197 2.141) 3.417 8.210 ( -0.490 -0.064 8.567) 8.582 8.459 ( 1.403 -1.332 0.493) 1.996 8.577 ( -0.264 2.182 14.688) 14.851 9.423 ( -0.779 -0.103 8.063) 8.101 10.266 ( -1.338 -0.599 5.307) 5.505 10.813 ( -1.372 0.571 -8.265) 8.397 11.210 ( -3.821 2.153 -2.899) 5.258 12.852 ( 2.359 -1.839 -0.241) 3.001 13.845 ( 10.094 -7.254 0.239) 12.433 17.667 ( 0.989 1.662 -8.018) 8.248 18.678 ( -4.951 -1.152 6.003) 7.866 19.800 ( -3.453 6.135 12.552) 14.392 ======================= Grid point 27 (21/156) ======================= q-point: (-0.16 -0.02 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -14.362 -12.499 -5.305) 19.765 2.050 ( -10.614 -13.524 -14.283) 22.351 2.713 ( -0.792 -5.964 -7.920) 9.946 3.651 ( 12.085 3.012 -15.647) 19.999 3.685 ( 12.967 11.954 -18.205) 25.348 4.682 ( -1.111 -2.621 0.985) 3.012 5.039 ( -0.361 -2.947 -3.808) 4.829 5.133 ( 2.934 -2.246 -6.201) 7.218 5.278 ( -11.322 8.321 3.042) 14.376 5.725 ( -10.647 6.107 -3.101) 12.660 6.060 ( -3.949 3.278 -2.994) 5.942 6.361 ( 6.387 -3.596 -0.185) 7.332 6.656 ( 4.140 0.091 -2.329) 4.751 6.890 ( 5.663 -2.980 0.730) 6.440 6.972 ( -6.400 -1.566 1.804) 6.831 8.241 ( 1.289 1.974 8.589) 8.906 8.474 ( 1.886 0.576 -0.102) 1.975 8.549 ( -1.570 -2.480 14.575) 14.868 9.421 ( -1.119 1.289 8.466) 8.637 10.104 ( -6.747 -4.742 5.796) 10.079 10.724 ( -6.734 -0.823 -6.626) 9.483 11.164 ( -2.265 -0.799 -4.537) 5.134 12.779 ( -1.371 -3.940 -0.942) 4.277 13.951 ( 11.388 -5.453 0.785) 12.651 17.696 ( 2.642 -2.550 -6.621) 7.571 18.241 ( -19.386 -8.263 3.518) 21.365 20.136 ( 7.849 14.491 14.054) 21.660 ======================= Grid point 28 (22/156) ======================= q-point: (-0.16 -0.02 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -7.349 -16.271 -10.332) 20.628 1.598 ( -7.699 -14.438 -15.868) 22.793 2.325 ( -9.465 -18.888 -21.152) 29.895 3.996 ( 12.009 5.217 -6.483) 14.611 4.209 ( 7.042 13.231 -12.004) 19.203 4.495 ( -1.707 -0.586 -3.347) 3.803 5.102 ( -4.164 3.117 -8.763) 10.190 5.142 ( 1.872 3.528 3.481) 5.298 5.330 ( 0.854 5.262 -0.059) 5.331 5.621 ( -7.592 3.497 -6.022) 10.302 6.169 ( 2.162 5.939 -3.165) 7.068 6.291 ( 4.419 -8.331 -2.805) 9.838 6.695 ( -1.774 -3.601 -0.171) 4.018 6.790 ( -8.918 2.231 0.891) 9.236 6.909 ( 5.450 -6.657 3.792) 9.402 8.329 ( 1.868 2.856 9.537) 10.129 8.463 ( -1.318 -2.316 12.977) 13.248 8.573 ( 2.666 4.217 0.213) 4.993 9.409 ( -1.354 0.542 10.079) 10.184 9.914 ( -3.014 -2.958 4.299) 6.026 10.595 ( -2.374 -1.803 -5.824) 6.543 10.974 ( -6.699 -10.221 -4.946) 13.184 12.780 ( 2.560 4.319 -2.239) 5.497 14.040 ( 4.633 -1.740 -0.150) 4.951 17.668 ( 3.419 -6.319 -4.074) 8.259 17.773 ( -12.920 -4.140 0.636) 13.582 20.537 ( 4.865 11.255 15.750) 19.960 ======================= Grid point 29 (23/156) ======================= q-point: ( 0.12 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -13.521 22.242 11.006) 28.261 0.781 ( 4.585 22.220 16.253) 27.909 1.146 ( 4.133 25.426 31.299) 40.536 4.310 ( -1.795 -6.924 -4.376) 8.385 4.338 ( 1.256 -4.367 -5.436) 7.086 4.594 ( -3.129 -15.117 10.838) 18.862 4.816 ( 7.779 -6.727 13.181) 16.718 5.287 ( -0.567 0.388 -3.829) 3.890 5.346 ( -2.910 12.727 3.456) 13.505 5.450 ( -1.109 0.343 0.781) 1.399 6.079 ( 0.812 0.574 6.031) 6.113 6.478 ( -4.793 -10.835 -0.419) 11.855 6.574 ( 4.313 0.554 -2.307) 4.923 6.696 ( 2.438 1.191 -0.667) 2.794 6.906 ( -1.896 9.067 -3.034) 9.747 8.575 ( -1.844 -1.194 -6.315) 6.686 8.584 ( 2.118 -0.304 -6.054) 6.422 8.732 ( -0.195 -5.840 -0.550) 5.869 9.561 ( -0.106 0.098 -5.512) 5.514 9.877 ( -0.174 2.957 -0.815) 3.072 10.464 ( -4.555 5.501 3.246) 7.845 10.531 ( 4.345 10.212 1.087) 11.151 12.903 ( 0.037 -6.113 2.363) 6.554 14.056 ( 0.054 -0.609 0.507) 0.794 17.544 ( 4.308 2.718 -0.580) 5.127 17.592 ( -4.252 6.139 -1.204) 7.564 21.008 ( 0.051 -6.037 -8.755) 10.635 ======================= Grid point 30 (24/156) ======================= q-point: ( 0.12 -0.03 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 8.467 19.796 5.983) 22.346 1.179 ( 7.329 14.944 25.030) 30.059 2.028 ( 14.566 26.852 8.823) 31.797 3.818 ( -16.278 -15.618 8.506) 24.110 4.104 ( -10.523 -10.974 1.313) 15.261 4.484 ( 5.046 3.328 -1.017) 6.129 4.940 ( 6.197 0.587 7.058) 9.411 5.216 ( -4.121 -4.570 -3.470) 7.065 5.342 ( 2.487 -6.233 -1.271) 6.830 5.507 ( 8.596 -3.608 5.398) 10.773 6.127 ( -3.441 -6.314 0.911) 7.248 6.223 ( -3.733 10.141 3.724) 11.430 6.698 ( -0.024 0.310 -0.271) 0.412 6.795 ( 7.349 1.656 -0.247) 7.537 6.992 ( -3.467 4.512 -3.517) 6.690 8.472 ( -3.149 -3.309 -5.434) 7.098 8.571 ( -3.068 -4.417 0.532) 5.404 8.653 ( 3.042 1.946 -6.625) 7.546 9.564 ( 0.747 -0.596 -5.623) 5.703 9.987 ( 3.316 4.957 -2.899) 6.631 10.504 ( 2.289 1.653 3.307) 4.349 10.898 ( 6.851 9.540 2.660) 12.043 12.745 ( -2.574 -3.184 1.305) 4.297 14.043 ( -4.333 2.917 -0.254) 5.229 17.609 ( -5.250 6.012 2.006) 8.230 17.799 ( 14.484 3.534 -1.709) 15.006 20.774 ( -5.126 -11.862 -8.404) 15.415 ======================= Grid point 31 (25/156) ======================= q-point: ( 0.12 -0.03 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 15.344 14.145 6.484) 21.853 1.732 ( 13.221 18.648 13.040) 26.317 2.614 ( 5.569 9.419 2.593) 11.245 3.179 ( -15.881 -12.797 17.511) 26.881 3.645 ( -14.755 -7.881 0.730) 16.743 4.696 ( 1.943 3.787 -0.500) 4.286 4.940 ( -5.799 0.330 4.701) 7.473 5.068 ( -2.362 2.055 1.702) 3.564 5.373 ( 14.714 -9.314 -6.450) 18.570 5.641 ( 15.334 -7.624 5.650) 18.033 6.007 ( 3.906 -2.220 2.025) 4.928 6.364 ( -8.702 10.575 -0.370) 13.700 6.594 ( -2.975 -4.689 3.076) 6.348 6.908 ( -7.431 4.029 -0.867) 8.498 7.024 ( 5.991 0.179 -2.535) 6.507 8.372 ( -1.784 -1.367 -4.990) 5.473 8.467 ( -1.789 -0.555 0.694) 1.998 8.765 ( 2.941 2.036 -7.555) 8.359 9.551 ( 0.259 -1.474 -4.750) 4.980 10.199 ( 5.928 5.272 -3.654) 8.734 10.619 ( 5.713 0.403 3.975) 6.972 11.090 ( 3.116 1.054 2.911) 4.393 12.765 ( 1.639 4.561 0.478) 4.870 13.964 ( -12.345 5.968 -0.503) 13.722 17.601 ( -3.744 2.213 3.238) 5.422 18.301 ( 21.092 8.851 -2.393) 22.999 20.347 ( -8.353 -15.509 -7.525) 19.155 ======================= Grid point 32 (26/156) ======================= q-point: ( 0.12 -0.03 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 2.568 5.543 0.717) 6.151 2.358 ( 8.074 11.570 8.776) 16.616 2.412 ( -12.288 -6.447 8.049) 16.042 2.951 ( 0.851 -0.825 16.910) 16.951 3.309 ( -7.219 2.951 1.520) 7.945 4.712 ( -0.993 2.825 -1.164) 3.213 4.797 ( 0.250 -7.680 7.604) 10.811 5.102 ( -2.523 -1.922 3.041) 4.395 5.446 ( 7.751 -5.920 -5.428) 11.161 5.807 ( 16.828 -9.485 3.403) 19.615 6.135 ( -3.080 1.074 -2.003) 3.828 6.315 ( 7.275 2.467 -2.592) 8.108 6.490 ( -12.522 7.132 5.976) 15.601 6.795 ( -6.161 0.566 0.349) 6.196 7.110 ( 3.107 -2.159 -1.823) 4.200 8.337 ( -0.066 0.131 -4.527) 4.529 8.462 ( -1.280 1.695 0.023) 2.124 8.798 ( 1.187 -3.512 -7.798) 8.635 9.549 ( 0.317 1.100 -4.673) 4.811 10.349 ( 0.634 1.186 -3.045) 3.329 10.681 ( 1.154 -0.815 5.044) 5.238 11.163 ( 3.835 -1.741 1.849) 4.600 12.847 ( -2.240 1.713 0.168) 2.825 13.850 ( -11.122 8.507 -0.225) 14.004 17.551 ( -1.078 -2.147 3.977) 4.646 18.773 ( 5.211 1.185 -3.542) 6.411 19.989 ( 3.789 -6.481 -6.753) 10.098 ======================= Grid point 34 (27/156) ======================= q-point: ( 0.12 -0.03 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -19.368 -12.386 14.744) 27.311 1.953 ( -21.070 -1.495 3.588) 21.426 2.555 ( -8.754 -10.120 2.347) 13.585 3.198 ( 12.891 18.798 15.807) 27.738 3.578 ( 11.072 12.938 1.452) 17.091 4.660 ( 2.210 -11.543 5.797) 13.105 4.686 ( -0.125 -7.039 3.133) 7.706 5.016 ( 2.770 2.296 -0.307) 3.611 5.487 ( 5.201 -3.044 -2.815) 6.651 5.875 ( 10.727 -11.898 1.791) 16.119 6.029 ( -3.886 1.967 -3.601) 5.651 6.330 ( -15.867 6.817 5.792) 18.215 6.635 ( 8.250 1.752 -1.843) 8.633 6.711 ( -2.449 1.128 1.427) 3.051 7.077 ( -0.565 -1.909 -1.761) 2.658 8.381 ( 1.482 2.500 -4.199) 5.106 8.473 ( -0.011 1.930 -0.005) 1.930 8.704 ( 0.187 -5.650 -7.320) 9.249 9.583 ( 0.055 0.928 -5.240) 5.322 10.251 ( -6.862 -3.425 -3.606) 8.474 10.682 ( 0.430 -0.929 4.750) 4.860 11.087 ( -4.023 -5.781 2.325) 7.417 12.757 ( -4.424 -1.386 0.526) 4.666 13.895 ( -3.253 9.219 -0.913) 9.819 17.488 ( 1.240 -3.595 3.888) 5.439 18.466 ( -15.128 -11.960 -2.631) 19.463 20.309 ( 17.812 7.179 -7.537) 20.630 ======================= Grid point 35 (28/156) ======================= q-point: ( 0.12 -0.03 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -17.385 -8.525 20.138) 27.936 1.414 ( -28.460 -1.096 6.363) 29.183 1.900 ( -23.348 -19.589 11.012) 32.405 3.879 ( 12.365 19.262 3.231) 23.116 4.098 ( 12.903 12.497 4.819) 18.598 4.436 ( 0.384 -6.579 -0.814) 6.640 4.651 ( 12.045 -9.719 11.002) 18.989 5.188 ( 4.830 3.421 -2.238) 6.328 5.485 ( 0.461 -3.017 -2.564) 3.986 5.726 ( -4.838 -9.297 2.059) 10.681 6.067 ( -2.892 4.495 1.588) 5.576 6.261 ( -0.383 7.373 4.183) 8.486 6.609 ( 2.391 -6.272 -0.455) 6.727 6.726 ( -1.310 -1.461 -1.009) 2.207 7.051 ( -4.081 1.751 -2.710) 5.203 8.487 ( 2.224 3.972 -4.745) 6.575 8.563 ( 4.107 1.220 -2.088) 4.766 8.627 ( 1.008 -1.827 -4.592) 5.044 9.577 ( -0.343 -0.775 -5.654) 5.717 10.019 ( -7.129 -3.504 -3.299) 8.601 10.618 ( -6.476 0.652 3.911) 7.594 10.809 ( -6.520 -10.060 2.316) 12.209 12.743 ( 3.131 2.683 1.387) 4.351 14.013 ( -0.377 4.644 -0.675) 4.708 17.481 ( 1.726 0.256 2.092) 2.724 17.941 ( -12.758 -9.786 -1.395) 16.139 20.763 ( 12.798 5.267 -8.406) 16.192 ======================= Grid point 37 (29/156) ======================= q-point: ( 0.40 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -4.485 9.271 4.840) 11.379 2.191 ( -0.197 11.143 5.804) 12.566 3.168 ( 0.098 4.827 9.839) 10.959 4.022 ( 4.933 -6.132 1.721) 8.057 4.518 ( 0.562 6.187 2.248) 6.606 5.071 ( -2.634 -3.583 -0.563) 4.482 5.181 ( -2.707 -2.199 3.392) 4.864 5.325 ( 6.208 -2.595 20.952) 22.006 5.369 ( -4.135 -4.289 23.382) 24.129 5.715 ( -2.968 -4.837 3.608) 6.725 6.131 ( 4.388 -2.227 -2.637) 5.583 6.415 ( 3.428 2.151 -6.127) 7.343 6.491 ( -7.687 -0.330 -1.360) 7.814 6.855 ( 5.066 -1.531 5.473) 7.613 7.121 ( 0.164 4.070 4.321) 5.938 7.713 ( 2.308 0.450 -18.224) 18.375 7.893 ( -2.157 0.623 -16.613) 16.764 8.532 ( -0.027 -1.178 -0.082) 1.181 8.946 ( -0.736 -0.416 -9.731) 9.768 9.690 ( -0.581 0.549 -6.093) 6.145 10.912 ( -3.865 0.041 5.360) 6.608 11.252 ( 2.188 6.049 4.208) 7.687 12.787 ( -0.306 -2.131 1.133) 2.433 14.104 ( 2.613 2.820 -1.484) 4.121 17.788 ( -0.579 3.979 2.558) 4.766 18.138 ( -1.528 8.286 11.738) 14.449 19.514 ( 0.981 -14.942 -22.589) 27.102 ======================= Grid point 38 (30/156) ======================= q-point: ( 0.40 -0.03 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 1.985 6.278 1.743) 6.812 2.384 ( 3.397 4.267 1.037) 5.552 3.199 ( -2.851 1.218 6.997) 7.654 3.912 ( -7.850 1.002 2.127) 8.194 4.646 ( 1.274 0.743 -1.750) 2.289 4.995 ( -2.254 -1.654 12.391) 12.703 5.072 ( 0.305 -5.168 8.607) 10.044 5.374 ( 7.351 2.622 16.168) 17.953 5.454 ( 3.183 4.419 12.671) 13.792 5.602 ( 0.230 -0.817 12.039) 12.069 6.126 ( 1.521 -5.141 1.697) 5.624 6.342 ( -3.896 -3.444 -3.242) 6.128 6.473 ( 0.838 1.028 -7.549) 7.665 6.917 ( 4.148 -1.802 -0.133) 4.524 7.162 ( -1.401 0.219 5.681) 5.856 7.712 ( -1.067 -1.572 -16.403) 16.512 7.883 ( 0.249 0.498 -17.023) 17.032 8.520 ( -0.814 0.983 0.051) 1.277 8.978 ( 2.298 0.278 -9.053) 9.344 9.792 ( 4.834 4.636 -7.480) 10.040 10.928 ( 3.859 2.346 6.056) 7.555 11.293 ( -1.434 -2.723 2.397) 3.900 12.814 ( 3.176 0.992 1.107) 3.507 14.256 ( -8.237 15.305 -7.592) 18.966 17.946 ( 7.504 3.701 -1.745) 8.547 18.245 ( -0.091 4.982 16.492) 17.228 19.185 ( 0.111 -17.968 -19.211) 26.304 ======================= Grid point 39 (31/156) ======================= q-point: ( 0.40 -0.03 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 5.452 3.050 -1.211) 6.363 2.418 ( 0.327 -6.274 -3.399) 7.143 3.169 ( -2.243 2.923 6.852) 7.780 3.835 ( -10.777 10.016 4.675) 15.438 4.668 ( -1.831 2.671 0.523) 3.280 4.907 ( 0.783 -3.048 10.030) 10.512 5.025 ( 3.213 -2.741 18.469) 18.946 5.429 ( 0.339 -5.912 7.252) 9.363 5.522 ( 6.018 -2.049 6.884) 9.371 5.765 ( -1.425 2.914 17.856) 18.148 6.040 ( 1.474 -5.764 -0.252) 5.955 6.290 ( 1.678 7.304 2.347) 7.853 6.509 ( 1.091 -0.078 -6.371) 6.464 6.885 ( 0.246 -7.633 3.091) 8.239 7.120 ( -0.958 0.616 -2.171) 2.451 7.675 ( 0.188 -0.022 -16.888) 16.889 7.882 ( -0.007 -1.308 -14.537) 14.595 8.529 ( -1.254 1.464 -0.237) 1.942 9.003 ( 1.395 -1.375 -8.853) 9.067 9.953 ( 2.035 0.657 -7.730) 8.020 11.117 ( 2.887 2.415 6.145) 7.206 11.147 ( 1.268 -4.729 0.441) 4.915 12.872 ( 1.902 -1.910 0.892) 2.839 14.298 ( -19.434 15.985 -7.823) 26.351 18.082 ( 0.724 -1.769 5.731) 6.041 18.415 ( 4.966 3.927 6.544) 9.106 18.882 ( 7.104 -13.378 -16.038) 22.060 ======================= Grid point 41 (32/156) ======================= q-point: ( 0.40 -0.03 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -5.960 -8.236 -2.047) 10.370 2.321 ( -0.037 0.318 0.776) 0.839 3.203 ( -1.915 2.943 7.224) 8.032 3.862 ( -5.524 9.304 4.847) 11.857 4.633 ( -2.380 -2.262 1.520) 3.618 4.965 ( 4.676 2.640 2.455) 5.905 5.096 ( 4.459 1.633 21.748) 22.261 5.306 ( -0.059 -5.480 4.348) 6.995 5.490 ( -4.077 -3.795 18.551) 19.369 5.695 ( 2.579 -3.689 9.307) 10.339 6.024 ( 3.607 -0.570 0.088) 3.652 6.432 ( -2.227 0.287 -5.722) 6.147 6.627 ( 2.989 7.724 2.935) 8.787 6.686 ( 0.136 -7.777 2.513) 8.174 7.144 ( 0.148 1.107 -1.887) 2.193 7.706 ( -0.966 1.806 -18.240) 18.355 7.869 ( 2.423 -0.596 -12.947) 13.185 8.523 ( -1.105 0.747 -0.131) 1.341 8.982 ( 0.282 -2.310 -9.496) 9.777 9.847 ( -4.935 -6.002 -8.293) 11.365 10.990 ( 0.738 -5.605 4.636) 7.311 11.279 ( 0.940 1.841 2.681) 3.386 12.817 ( -0.804 -3.083 0.967) 3.329 14.173 ( -16.624 10.074 -5.634) 20.239 17.951 ( -3.747 -5.977 4.731) 8.494 18.340 ( -6.036 -4.093 8.640) 11.306 19.121 ( 19.420 1.887 -18.642) 26.986 ======================= Grid point 43 (33/156) ======================= q-point: ( 0.40 -0.03 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -7.913 6.232 12.438) 16.005 1.986 ( -13.039 5.858 7.460) 16.124 3.063 ( -4.941 0.960 12.531) 13.504 4.120 ( 6.228 -9.848 2.387) 11.894 4.496 ( -4.731 7.595 3.541) 9.623 5.067 ( 4.381 -3.131 -0.913) 5.461 5.211 ( 2.131 1.058 4.377) 4.982 5.352 ( 5.867 -6.015 25.349) 26.706 5.545 ( 4.189 1.545 8.451) 9.558 5.781 ( 4.592 1.557 2.305) 5.368 6.236 ( -2.681 2.255 -5.866) 6.832 6.295 ( 0.291 -5.305 1.997) 5.676 6.558 ( 1.954 4.931 -5.753) 7.824 6.817 ( -5.436 -2.630 5.311) 8.042 7.078 ( -3.942 4.005 9.693) 11.204 7.754 ( -2.408 -4.649 -21.943) 22.559 7.805 ( 0.734 4.267 -16.827) 17.376 8.558 ( 2.863 -1.823 -0.399) 3.417 8.976 ( 0.599 1.619 -9.630) 9.784 9.766 ( 1.918 2.471 -2.403) 3.945 10.856 ( -1.889 2.450 6.618) 7.305 11.168 ( -9.051 4.604 3.904) 10.880 12.860 ( 4.749 -1.225 1.208) 5.051 14.114 ( 6.158 -6.491 4.452) 9.994 17.799 ( -3.004 8.294 3.041) 9.331 17.949 ( -9.393 0.871 9.622) 13.475 19.730 ( 8.973 -3.836 -24.426) 26.303 ======================= Grid point 44 (34/156) ======================= q-point: ( 0.40 -0.03 -0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -5.742 11.455 7.844) 15.024 1.960 ( -6.518 14.428 9.928) 18.687 3.055 ( -0.814 4.536 12.864) 13.665 4.025 ( 7.565 -10.217 2.820) 13.022 4.499 ( -5.012 2.947 2.835) 6.469 5.119 ( 3.968 -1.843 2.632) 5.106 5.248 ( -0.921 0.068 3.846) 3.956 5.328 ( 4.440 -6.738 19.419) 21.029 5.539 ( -1.171 -4.142 13.870) 14.522 5.864 ( -1.195 -2.238 -1.036) 2.740 6.134 ( -1.657 -2.020 -2.223) 3.431 6.281 ( 3.224 0.559 -2.994) 4.435 6.625 ( -5.905 2.810 -0.836) 6.593 6.763 ( 4.926 -0.615 7.401) 8.912 7.065 ( -4.060 4.106 4.774) 7.492 7.670 ( 0.924 -1.102 -21.966) 22.013 7.892 ( -0.456 2.748 -14.977) 15.233 8.559 ( 1.905 -2.902 -0.474) 3.504 8.993 ( -1.608 0.269 -9.723) 9.858 9.756 ( -2.727 -1.686 -3.099) 4.459 10.967 ( -0.831 6.518 5.030) 8.275 11.084 ( -6.386 6.115 4.885) 10.101 12.866 ( 1.283 -4.472 1.248) 4.817 14.078 ( 6.628 -8.590 5.240) 12.049 17.804 ( -7.459 3.076 4.825) 9.401 17.969 ( -1.849 11.157 7.459) 13.548 19.720 ( 3.962 -9.805 -24.350) 26.547 ======================= Grid point 45 (35/156) ======================= q-point: (-0.32 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 4.385 -9.909 -10.350) 14.984 1.911 ( -1.228 -15.771 -9.916) 18.670 3.048 ( -0.239 -6.472 -13.760) 15.209 4.182 ( -5.820 8.618 -2.330) 10.657 4.410 ( 2.418 -3.527 -4.167) 5.971 5.146 ( 2.756 3.278 -1.806) 4.648 5.201 ( 0.921 0.778 0.670) 1.379 5.435 ( -2.698 7.118 -22.457) 23.712 5.492 ( 1.211 6.964 -13.190) 14.965 5.808 ( 3.357 3.874 -2.307) 5.621 6.162 ( -3.893 1.075 5.601) 6.905 6.366 ( -2.233 -1.758 2.858) 4.031 6.498 ( 3.327 0.123 0.800) 3.424 6.855 ( -1.328 -1.692 -7.742) 8.035 7.010 ( -0.512 -6.592 -5.643) 8.692 7.716 ( -3.588 0.696 20.009) 20.340 7.848 ( 3.779 -3.417 18.238) 18.936 8.578 ( 0.080 3.206 0.776) 3.299 8.969 ( 0.633 1.592 9.413) 9.568 9.732 ( -0.470 4.174 2.627) 4.954 10.886 ( 4.768 -2.592 -5.532) 7.749 11.076 ( -3.767 -10.490 -5.658) 12.500 12.876 ( 0.236 6.168 -0.411) 6.186 14.170 ( -1.329 8.086 -5.750) 10.011 17.716 ( 0.418 -3.003 -3.767) 4.836 17.945 ( 0.513 -10.466 -8.717) 13.631 19.764 ( -0.337 9.866 24.738) 26.635 ======================= Grid point 46 (36/156) ======================= q-point: (-0.32 -0.04 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 3.514 -9.233 -14.566) 17.601 1.721 ( 12.282 -8.786 -11.655) 19.076 2.971 ( 3.610 -3.398 -15.707) 16.470 4.228 ( -5.088 9.021 -3.904) 11.068 4.438 ( 1.920 -3.617 -4.522) 6.101 5.154 ( -3.256 1.908 -0.915) 3.883 5.233 ( -0.043 -1.172 1.942) 2.269 5.479 ( -6.497 7.421 -20.367) 22.630 5.623 ( -2.484 3.385 -9.298) 10.202 5.850 ( -1.736 -2.454 -3.774) 4.825 6.170 ( 2.068 1.339 6.974) 7.397 6.333 ( -2.726 4.245 0.271) 5.052 6.552 ( 2.841 -3.916 0.486) 4.862 6.760 ( -0.916 -0.041 -6.117) 6.185 6.967 ( 6.861 -5.532 -8.088) 11.962 7.715 ( 0.695 3.062 21.682) 21.909 7.812 ( 0.605 -4.585 18.161) 18.741 8.618 ( -2.658 2.571 1.326) 3.929 8.992 ( -0.760 0.324 9.373) 9.410 9.807 ( -1.873 2.455 0.570) 3.140 10.832 ( 0.034 -4.577 -7.075) 8.427 10.972 ( 9.298 -5.497 -5.786) 12.253 12.956 ( -3.880 3.722 0.839) 5.441 14.270 ( -7.775 8.597 -10.196) 15.438 17.741 ( 4.029 -4.750 -3.329) 7.062 17.777 ( 5.312 -5.151 -7.694) 10.674 19.866 ( -4.552 4.729 25.489) 26.320 ======================= Grid point 48 (37/156) ======================= q-point: (-0.32 -0.04 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 9.409 8.082 -2.317) 12.618 2.225 ( 9.901 2.821 -5.793) 11.813 3.142 ( 3.924 -2.397 -9.762) 10.790 3.859 ( -5.060 -9.246 -3.010) 10.962 4.567 ( 3.699 3.731 -1.141) 5.376 5.060 ( -4.175 -2.831 -3.274) 6.014 5.194 ( -4.987 -4.540 -26.863) 27.696 5.280 ( 1.662 4.975 1.854) 5.563 5.468 ( -2.285 4.423 -19.199) 19.834 5.781 ( -4.920 3.410 -1.471) 6.164 6.086 ( -2.693 0.284 0.813) 2.827 6.349 ( 4.927 -2.231 4.579) 7.086 6.654 ( 0.108 4.546 0.427) 4.568 6.727 ( -2.681 -3.945 -6.589) 8.134 7.127 ( 1.944 0.609 -0.991) 2.266 7.674 ( 1.359 -1.404 20.239) 20.333 7.910 ( -0.953 -0.303 13.263) 13.300 8.517 ( -0.878 -1.497 0.099) 1.738 8.993 ( -0.424 3.388 9.472) 10.068 9.764 ( 2.635 6.180 6.340) 9.237 11.018 ( -0.748 5.681 -4.322) 7.177 11.227 ( 6.141 0.170 -4.199) 7.441 12.807 ( -0.864 1.323 -1.326) 2.063 13.992 ( 1.421 -7.286 0.006) 7.423 17.874 ( 3.778 6.962 -5.209) 9.480 18.183 ( 9.492 2.973 -7.914) 12.711 19.470 ( -14.970 -3.256 22.110) 26.899 ======================= Grid point 49 (38/156) ======================= q-point: (-0.32 -0.04 0.61) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -3.095 -0.178 -1.898) 3.635 2.376 ( 4.646 9.336 2.430) 10.707 3.128 ( 2.186 -4.027 -8.428) 9.593 3.650 ( 5.416 -10.716 -4.502) 12.823 4.626 ( 1.737 -2.617 -1.447) 3.458 4.941 ( -2.434 -1.649 -13.444) 13.762 5.113 ( -4.293 5.163 -16.235) 17.569 5.427 ( 0.722 5.567 -2.438) 6.120 5.565 ( 2.050 3.874 -11.682) 12.478 5.766 ( -2.918 2.420 -9.093) 9.851 6.070 ( -1.761 3.372 -0.450) 3.830 6.358 ( -3.884 -7.913 -1.382) 8.923 6.497 ( 2.141 -2.039 3.345) 4.464 6.874 ( 0.806 9.000 -3.833) 9.816 7.121 ( -0.818 -1.332 1.983) 2.525 7.675 ( 0.584 -0.979 19.399) 19.432 7.880 ( -0.418 0.357 13.278) 13.289 8.495 ( 1.764 -1.959 0.386) 2.664 9.038 ( -1.856 2.942 8.338) 9.035 9.967 ( 1.228 5.197 6.835) 8.673 11.107 ( -0.355 4.871 -6.007) 7.742 11.255 ( -3.981 0.297 -2.038) 4.483 12.867 ( 2.169 1.160 -0.170) 2.465 13.968 ( 11.559 -8.939 2.442) 14.815 18.064 ( 1.851 4.461 -10.767) 11.801 18.423 ( 4.517 3.374 -0.582) 5.668 19.106 ( -14.030 0.877 18.399) 23.155 ======================= Grid point 50 (39/156) ======================= q-point: (-0.32 -0.04 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -8.251 -3.914 -3.166) 9.665 2.465 ( -4.119 -2.632 0.115) 4.889 3.129 ( 3.766 -1.036 -7.895) 8.808 3.697 ( 12.409 -2.503 -2.736) 12.951 4.626 ( 2.611 -0.909 1.611) 3.199 4.940 ( 2.635 1.634 -21.651) 21.871 5.138 ( -5.397 6.385 -6.240) 10.432 5.491 ( -1.516 -2.001 -8.390) 8.758 5.558 ( -8.688 -2.931 -9.984) 13.556 5.649 ( -3.705 -1.015 -11.501) 12.125 6.126 ( 0.510 2.728 -2.008) 3.426 6.270 ( 3.097 4.517 0.175) 5.479 6.504 ( -0.816 -0.835 9.003) 9.079 6.986 ( -2.922 1.171 -0.173) 3.153 7.116 ( 2.622 0.928 -5.610) 6.261 7.689 ( 1.197 1.077 17.787) 17.860 7.880 ( 0.243 -1.290 16.587) 16.639 8.493 ( 1.822 -1.725 0.303) 2.527 9.036 ( -3.109 1.573 7.965) 8.694 9.926 ( -7.263 -1.855 6.104) 9.667 11.050 ( -7.195 -2.737 -6.704) 10.208 11.268 ( 0.342 5.173 -2.393) 5.709 12.870 ( -1.434 -1.921 -0.218) 2.407 14.032 ( 12.102 -9.580 4.013) 15.948 18.091 ( -4.232 -0.660 -6.455) 7.747 18.307 ( -7.241 -6.370 -5.912) 11.312 19.168 ( 1.389 13.960 18.872) 23.516 ======================= Grid point 51 (40/156) ======================= q-point: (-0.32 -0.04 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -3.633 -8.405 -7.592) 11.894 2.227 ( -3.722 -10.503 -4.666) 12.081 3.152 ( 1.568 -3.557 -9.262) 10.045 3.980 ( 8.550 6.601 -1.220) 10.871 4.605 ( -5.184 -4.333 -0.854) 6.810 5.017 ( 0.837 0.652 0.660) 1.250 5.156 ( -0.312 2.992 -6.696) 7.341 5.274 ( 2.840 0.033 -32.178) 32.303 5.472 ( -5.724 3.021 -8.964) 11.057 5.682 ( -0.365 5.001 -4.128) 6.494 6.209 ( -1.514 3.268 -0.825) 3.695 6.354 ( 3.659 -3.045 3.870) 6.135 6.497 ( -2.818 3.457 7.452) 8.685 6.911 ( -0.955 -2.696 -2.565) 3.842 7.135 ( -1.017 -2.123 -8.688) 9.001 7.748 ( 0.069 1.914 17.397) 17.502 7.842 ( 1.524 -3.132 19.078) 19.393 8.517 ( 1.464 0.944 -0.040) 1.742 8.973 ( -3.214 -0.165 9.422) 9.956 9.744 ( -5.468 -0.244 4.868) 7.325 10.892 ( -2.421 -1.622 -6.617) 7.231 11.297 ( -1.867 -3.038 -3.181) 4.779 12.801 ( -1.464 0.713 -1.333) 2.105 14.072 ( 5.527 -2.969 1.872) 6.548 17.868 ( -8.293 -3.780 -1.172) 9.189 18.121 ( 0.049 -7.404 -12.940) 14.909 19.503 ( 2.213 13.535 22.388) 26.255 ======================= Grid point 52 (41/156) ======================= q-point: (-0.05 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( -0.000 0.000 -18.952) 18.952 0.362 ( -0.000 0.000 -18.952) 18.952 0.921 ( -0.000 0.000 -46.180) 46.180 4.377 ( 0.000 -0.000 5.863) 5.863 4.377 ( 0.000 -0.000 5.863) 5.863 4.887 ( -0.000 0.000 -13.875) 13.875 4.887 ( -0.000 0.000 -13.875) 13.875 5.054 ( -0.000 0.000 -4.799) 4.799 5.304 ( 0.000 -0.000 5.674) 5.674 5.447 ( 0.000 -0.000 0.641) 0.641 6.083 ( -0.000 0.000 -7.236) 7.236 6.576 ( 0.000 -0.000 2.840) 2.840 6.672 ( 0.000 -0.000 0.330) 0.330 6.672 ( 0.000 -0.000 0.330) 0.330 6.727 ( 0.000 -0.000 3.488) 3.488 8.587 ( 0.000 -0.000 6.330) 6.330 8.587 ( 0.000 -0.000 6.330) 6.330 8.800 ( 0.000 -0.000 1.081) 1.081 9.559 ( 0.000 -0.000 5.299) 5.299 9.849 ( -0.000 0.000 -0.365) 0.365 10.395 ( -0.000 0.000 -3.508) 3.508 10.395 ( -0.000 0.000 -3.508) 3.508 12.973 ( -0.000 0.000 -2.814) 2.814 14.067 ( -0.000 0.000 -0.758) 0.758 17.503 ( -0.000 0.000 -0.893) 0.893 17.503 ( -0.000 0.000 -0.893) 0.893 21.068 ( 0.000 -0.000 8.817) 8.817 ======================= Grid point 53 (42/156) ======================= q-point: (-0.05 -0.05 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 21.922 7.904 -9.680) 25.234 0.944 ( 12.907 9.543 -24.452) 29.250 1.440 ( 20.950 28.647 -17.351) 39.505 4.127 ( -11.690 -13.673 0.907) 18.012 4.329 ( -7.951 -8.977 -2.212) 12.194 4.466 ( -3.447 -3.084 -2.613) 5.312 4.870 ( -7.187 6.034 -11.039) 14.489 5.277 ( -3.147 -1.459 4.172) 5.426 5.405 ( 9.062 0.192 0.289) 9.068 5.504 ( 8.627 3.309 -4.088) 10.104 6.073 ( -1.515 1.651 -5.636) 6.065 6.337 ( -6.230 -10.736 0.157) 12.414 6.648 ( 1.023 3.603 1.607) 4.076 6.724 ( -1.463 5.449 0.164) 5.644 6.937 ( 5.803 1.030 3.334) 6.771 8.534 ( -2.256 -2.717 5.601) 6.621 8.611 ( 0.278 1.786 6.619) 6.862 8.678 ( -4.240 -4.938 0.183) 6.511 9.567 ( 0.578 0.246 5.565) 5.600 9.909 ( 3.507 2.817 1.527) 4.750 10.469 ( 5.531 0.889 -3.359) 6.531 10.675 ( 7.567 11.576 -1.390) 13.899 12.841 ( -5.293 -5.193 -2.144) 7.719 14.038 ( -1.694 -1.275 -0.172) 2.127 17.514 ( -1.748 2.304 -1.435) 3.229 17.713 ( 9.645 5.535 2.551) 11.409 20.950 ( -5.929 -5.729 8.686) 11.976 ======================= Grid point 54 (43/156) ======================= q-point: (-0.05 -0.05 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 16.986 14.150 -15.683) 27.106 1.476 ( 23.226 7.002 -9.457) 26.036 2.321 ( 13.756 19.046 -6.036) 24.257 3.492 ( -15.789 -17.927 -11.518) 26.521 3.846 ( -14.135 -11.665 -1.492) 18.387 4.572 ( 4.213 7.102 0.446) 8.269 4.852 ( -9.068 8.240 -7.276) 14.250 5.104 ( -5.615 -4.424 0.900) 7.205 5.496 ( 5.391 -2.458 4.882) 7.677 5.778 ( 15.303 -4.994 -1.503) 16.167 6.099 ( -1.194 -1.352 -2.326) 2.944 6.122 ( -2.414 5.051 -4.723) 7.324 6.694 ( -0.156 -1.990 -0.684) 2.110 6.790 ( -6.519 6.589 0.829) 9.306 7.019 ( 4.670 -0.545 2.829) 5.487 8.416 ( -2.242 -2.997 4.745) 6.043 8.506 ( -2.907 -3.054 -0.518) 4.248 8.695 ( 1.164 4.113 7.360) 8.511 9.579 ( 0.476 -0.797 5.117) 5.200 10.100 ( 7.382 4.476 3.398) 9.277 10.615 ( 6.612 0.216 -3.774) 7.616 11.004 ( 3.957 7.600 -2.762) 9.003 12.708 ( -0.095 0.288 -1.059) 1.102 13.934 ( -5.267 -2.155 0.563) 5.719 17.529 ( -2.858 4.016 -3.056) 5.799 18.128 ( 17.415 8.686 2.123) 19.577 20.607 ( -11.542 -10.246 8.106) 17.433 ======================= Grid point 55 (44/156) ======================= q-point: (-0.05 -0.05 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 14.714 5.966 -3.896) 16.349 2.043 ( 16.337 14.609 -11.409) 24.708 2.614 ( -7.970 -6.396 -0.620) 10.238 2.963 ( -3.191 -3.052 -20.489) 20.959 3.364 ( -11.213 -7.542 -1.121) 13.560 4.705 ( -0.144 -1.388 1.021) 1.730 4.839 ( -3.760 3.527 -7.342) 8.971 5.061 ( 1.243 4.811 -2.448) 5.539 5.519 ( 0.682 -0.490 5.257) 5.323 5.931 ( 11.091 -4.209 4.998) 12.873 6.146 ( -11.225 9.408 -3.944) 15.168 6.201 ( 12.873 -3.778 -5.300) 14.425 6.508 ( -6.665 -6.621 -0.120) 9.396 6.759 ( -4.171 2.908 -0.956) 5.174 7.118 ( 2.367 1.259 2.072) 3.388 8.346 ( -0.866 -1.025 4.427) 4.626 8.446 ( -0.048 -0.374 -0.131) 0.399 8.802 ( 0.803 3.092 8.097) 8.705 9.552 ( -0.074 -1.415 4.441) 4.662 10.312 ( 4.311 2.473 2.993) 5.802 10.691 ( 0.878 -0.085 -4.825) 4.905 11.166 ( 3.348 1.770 -2.144) 4.352 12.795 ( 1.871 2.587 -0.257) 3.203 13.783 ( -3.915 -1.440 0.027) 4.172 17.552 ( -1.202 1.976 -3.830) 4.474 18.671 ( 13.752 8.123 3.277) 16.305 20.148 ( -10.458 -8.473 7.122) 15.228 ======================= Grid point 59 (45/156) ======================= q-point: ( 0.23 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -10.689 19.534 9.610) 24.252 1.499 ( 1.962 20.804 12.415) 24.306 2.187 ( 2.740 19.905 27.139) 33.768 4.135 ( 6.480 -7.421 -0.700) 9.877 4.245 ( -6.535 -0.659 5.128) 8.334 4.539 ( -1.481 -12.551 13.415) 18.430 4.899 ( 9.287 -10.814 14.141) 20.079 5.166 ( 1.041 -2.370 -3.157) 4.082 5.376 ( -3.529 -3.710 -1.584) 5.360 5.632 ( -6.570 -1.290 5.896) 8.922 6.169 ( 2.512 -2.191 1.663) 3.725 6.404 ( -6.044 2.558 4.935) 8.212 6.566 ( 8.519 3.524 -3.229) 9.768 6.698 ( 0.900 0.153 0.185) 0.931 6.987 ( -2.060 5.926 -3.592) 7.229 8.364 ( -1.642 -2.090 -11.667) 11.966 8.421 ( 2.678 0.333 -10.358) 10.704 8.608 ( -0.451 -4.666 -0.655) 4.734 9.400 ( -0.561 -0.637 -10.284) 10.319 9.892 ( -0.685 3.183 -4.582) 5.621 10.644 ( -6.557 2.905 5.750) 9.193 10.838 ( 5.426 12.115 5.485) 14.363 12.811 ( -0.068 -6.377 2.158) 6.732 14.075 ( 1.423 2.057 0.182) 2.508 17.582 ( 5.435 1.462 2.089) 6.003 17.767 ( -6.249 8.985 1.577) 11.058 20.581 ( 0.380 -12.163 -15.924) 20.042 ======================= Grid point 60 (46/156) ======================= q-point: ( 0.23 -0.05 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 1.870 18.450 6.021) 19.498 1.895 ( 4.348 15.570 15.003) 22.055 2.654 ( 4.394 12.548 13.055) 18.633 3.912 ( -13.274 -3.350 14.261) 19.768 3.930 ( -9.999 -12.710 13.754) 21.230 4.588 ( 8.222 6.864 -0.008) 10.711 4.985 ( 14.380 -8.248 5.133) 17.354 5.078 ( -3.449 -2.001 -1.260) 4.182 5.217 ( -1.563 -4.801 2.630) 5.693 5.498 ( 7.060 -8.068 6.183) 12.376 6.066 ( -2.138 -4.130 3.942) 6.097 6.475 ( -4.743 5.527 -1.506) 7.437 6.677 ( 2.078 -1.081 1.391) 2.724 6.827 ( 6.158 4.418 -1.396) 7.706 7.007 ( -4.406 2.475 -1.872) 5.390 8.277 ( -2.128 -2.110 -9.582) 10.040 8.494 ( 2.201 0.185 -9.428) 9.683 8.520 ( -0.698 -0.668 -2.753) 2.917 9.393 ( 1.234 -0.981 -9.760) 9.887 9.999 ( 3.038 5.605 -6.828) 9.342 10.623 ( 1.891 1.401 6.098) 6.536 11.116 ( 2.983 3.754 5.088) 6.991 12.746 ( 1.489 0.598 1.193) 2.000 14.165 ( -7.947 11.500 -2.206) 14.152 17.770 ( -3.092 2.624 5.262) 6.643 17.875 ( 13.762 6.958 -1.103) 15.461 20.248 ( -3.149 -17.560 -14.587) 23.044 ======================= Grid point 61 (47/156) ======================= q-point: ( 0.23 -0.05 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 7.176 12.155 1.826) 14.233 2.334 ( 8.433 13.469 8.684) 18.109 2.758 ( -6.180 -0.953 7.441) 9.720 3.525 ( -9.675 -3.584 21.044) 23.437 3.622 ( -11.297 0.606 16.601) 20.089 4.712 ( -1.628 2.192 -1.765) 3.251 4.970 ( 2.262 -11.621 6.937) 13.722 5.134 ( 6.961 -4.252 1.974) 8.392 5.243 ( 4.462 5.914 5.162) 9.030 5.571 ( 14.210 -9.048 4.145) 17.349 6.057 ( 5.065 3.950 1.198) 6.534 6.284 ( -6.526 -8.179 -1.897) 10.634 6.747 ( -4.363 5.167 -0.882) 6.820 6.904 ( -3.548 -0.899 -0.495) 3.693 7.000 ( 2.690 1.460 0.602) 3.120 8.212 ( -0.774 -0.960 -9.283) 9.365 8.490 ( -1.307 1.640 -0.942) 2.299 8.555 ( 2.035 -2.040 -12.519) 12.847 9.401 ( 1.328 -0.435 -8.684) 8.796 10.200 ( 4.143 4.618 -6.689) 9.123 10.763 ( 3.834 3.313 6.958) 8.608 11.133 ( 1.943 -2.962 3.704) 5.125 12.848 ( 2.925 1.634 0.659) 3.415 14.163 ( -19.338 15.796 -2.444) 25.088 17.708 ( -3.231 -1.332 7.554) 8.323 18.412 ( 18.974 8.325 -4.603) 21.225 19.801 ( -1.959 -18.481 -12.470) 22.380 ======================= Grid point 62 (48/156) ======================= q-point: ( 0.23 -0.05 -0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -5.357 -0.321 2.416) 5.886 2.378 ( -11.575 -7.129 4.283) 14.253 2.707 ( -0.780 5.456 9.035) 10.583 3.454 ( -1.245 7.913 11.621) 14.115 3.612 ( 1.030 11.647 25.047) 27.642 4.761 ( -0.446 -2.898 3.447) 4.526 4.792 ( 2.812 -6.001 8.680) 10.921 5.022 ( -1.796 -8.691 3.013) 9.372 5.351 ( 5.024 -2.346 3.528) 6.572 5.663 ( 13.218 -10.012 1.843) 16.684 6.041 ( -2.338 -4.243 -0.781) 4.907 6.402 ( 8.809 10.176 -2.806) 13.749 6.638 ( -9.346 0.744 -2.405) 9.679 6.833 ( -3.493 -0.783 1.788) 4.002 7.041 ( 0.710 -0.505 0.931) 1.276 8.229 ( 1.706 1.902 -8.560) 8.933 8.464 ( -0.994 -2.935 -8.943) 9.465 8.523 ( -0.561 -0.756 -4.698) 4.791 9.426 ( 1.066 -0.195 -9.416) 9.478 10.254 ( -2.883 -1.701 -6.618) 7.416 10.792 ( -0.085 -1.840 8.108) 8.315 11.163 ( 2.142 -1.731 2.610) 3.795 12.845 ( -1.888 -2.724 0.749) 3.398 14.081 ( -18.493 15.581 -2.824) 24.346 17.610 ( -1.219 -3.365 8.802) 9.502 18.606 ( -5.196 -8.416 -5.418) 11.277 19.729 ( 18.582 -0.727 -12.409) 22.356 ======================= Grid point 63 (49/156) ======================= q-point: ( 0.23 -0.05 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -16.521 -7.770 10.499) 21.061 2.004 ( -18.573 -5.198 4.874) 19.893 2.571 ( -13.390 -3.308 16.629) 21.605 3.748 ( 7.246 12.729 3.191) 14.990 4.074 ( 10.651 17.106 20.049) 28.425 4.527 ( -7.509 -9.559 3.572) 12.670 4.685 ( 9.841 -8.927 15.935) 20.747 5.053 ( 4.049 2.987 -2.226) 5.502 5.388 ( 5.049 -4.800 -0.358) 6.976 5.685 ( 9.070 -9.659 2.155) 13.424 6.044 ( 3.187 2.505 0.608) 4.099 6.496 ( -8.729 4.624 -0.905) 9.920 6.617 ( -1.375 -0.440 1.904) 2.389 6.721 ( -1.759 -1.728 -1.960) 3.150 7.048 ( -0.807 1.327 -0.743) 1.722 8.333 ( 1.634 3.981 -7.947) 9.037 8.383 ( 0.707 -3.503 -12.159) 12.674 8.531 ( 1.368 1.197 -1.074) 2.111 9.419 ( 0.415 -1.732 -10.210) 10.364 10.060 ( -7.114 -4.576 -7.334) 11.195 10.763 ( 2.005 -3.895 7.065) 8.313 11.044 ( -8.214 -3.043 4.455) 9.827 12.750 ( -0.716 -1.169 1.315) 1.900 14.068 ( -9.361 10.207 -2.822) 14.134 17.549 ( -0.251 -0.682 7.030) 7.067 18.165 ( -11.719 -11.767 -2.194) 16.751 20.210 ( 19.229 4.340 -14.576) 24.516 ======================= Grid point 65 (50/156) ======================= q-point: ( 0.23 -0.05 -0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -5.518 17.970 13.894) 23.376 1.270 ( -18.774 13.872 11.988) 26.242 1.982 ( -12.567 10.782 32.976) 36.900 4.123 ( 7.144 -8.873 0.791) 11.419 4.335 ( -0.396 1.510 0.233) 1.578 4.654 ( 14.372 -12.619 15.074) 24.352 5.110 ( -2.063 -7.309 12.310) 14.464 5.190 ( 0.811 -1.032 -3.418) 3.662 5.393 ( 0.995 2.104 -0.680) 2.425 5.620 ( -3.338 10.302 7.194) 13.001 6.187 ( -0.416 -3.039 5.418) 6.226 6.336 ( 8.865 -4.141 -0.083) 9.785 6.608 ( -4.582 2.452 -2.252) 5.664 6.728 ( -6.972 -2.669 0.568) 7.487 6.856 ( 0.500 6.936 -4.244) 8.147 8.379 ( 1.924 -0.925 -10.466) 10.682 8.422 ( -1.525 -0.143 -12.878) 12.969 8.666 ( 4.286 -3.911 -0.939) 5.877 9.414 ( -0.031 0.465 -9.888) 9.899 9.872 ( -1.399 1.597 -2.137) 3.012 10.561 ( -0.719 5.588 5.967) 8.207 10.739 ( -11.719 7.642 5.001) 14.858 12.894 ( 5.698 -5.705 3.062) 8.625 14.054 ( 2.000 -2.788 1.771) 3.861 17.560 ( -3.592 -0.986 3.415) 5.053 17.684 ( -4.580 9.577 -0.348) 10.621 20.705 ( 5.500 -5.700 -16.309) 18.131 ======================= Grid point 66 (51/156) ======================= q-point: ( 0.51 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -1.831 1.426 -2.016) 3.074 2.334 ( 1.411 -1.900 -1.324) 2.712 3.316 ( -0.139 -0.424 1.795) 1.850 4.032 ( -0.789 4.569 1.752) 4.957 4.591 ( -0.218 -0.863 -1.309) 1.583 5.019 ( 2.756 1.467 0.174) 3.127 5.240 ( -1.541 0.044 3.054) 3.421 5.534 ( 0.336 -1.510 11.344) 11.449 5.644 ( -0.848 -1.052 2.996) 3.286 5.994 ( 1.147 0.831 11.552) 11.639 6.020 ( 2.856 1.080 3.195) 4.419 6.307 ( -0.958 -0.529 -6.125) 6.222 6.545 ( -8.387 2.542 7.925) 11.816 6.769 ( 2.623 -3.628 -8.236) 9.374 7.258 ( 7.500 -1.929 9.479) 12.240 7.458 ( -3.917 0.043 -11.066) 11.739 7.588 ( 0.775 -1.647 -11.607) 11.749 8.531 ( -0.014 0.681 0.080) 0.685 8.817 ( 0.088 1.196 -4.051) 4.225 9.634 ( -1.159 4.401 -3.995) 6.056 10.984 ( -0.433 -0.121 2.118) 2.166 11.331 ( -0.122 -2.681 0.243) 2.694 12.799 ( 0.012 1.271 0.645) 1.425 14.179 ( 1.058 11.629 -5.622) 12.959 17.854 ( -1.070 1.199 -1.484) 2.188 18.607 ( -0.728 4.982 15.184) 15.997 18.808 ( 1.297 -12.186 -13.624) 18.325 ======================= Grid point 67 (52/156) ======================= q-point: (-0.49 -0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 3.493 -0.340 -4.652) 5.827 2.288 ( 3.014 -7.703 -6.209) 10.343 3.276 ( -1.121 -0.685 0.568) 1.432 4.079 ( -7.785 10.851 1.120) 13.402 4.617 ( 2.413 1.109 -3.091) 4.075 5.048 ( -1.589 -5.861 5.281) 8.047 5.247 ( 0.120 4.626 3.792) 5.983 5.526 ( 0.430 -0.952 8.778) 8.840 5.631 ( 1.232 -0.549 6.573) 6.710 6.002 ( 4.266 -5.927 3.067) 7.921 6.187 ( 4.598 4.643 9.903) 11.865 6.223 ( -3.144 -1.884 -1.749) 4.061 6.496 ( -5.092 7.477 7.712) 11.887 6.787 ( 3.905 -0.310 -6.506) 7.595 7.176 ( -4.106 -6.716 -0.213) 7.875 7.414 ( 1.333 -1.732 -6.244) 6.616 7.605 ( 3.153 -2.586 -10.570) 11.329 8.548 ( -0.724 1.513 0.222) 1.692 8.856 ( 0.642 0.373 -3.713) 3.786 9.779 ( 1.841 6.086 -5.023) 8.103 11.044 ( 4.360 0.942 1.021) 4.576 11.211 ( -1.350 -5.714 -1.282) 6.010 12.851 ( 1.932 0.367 1.741) 2.627 14.424 ( -11.204 19.035 -11.761) 25.023 17.931 ( 6.640 0.321 -3.763) 7.639 18.448 ( 3.301 -15.726 -12.614) 20.428 18.785 ( -2.047 4.665 20.481) 21.105 ======================= Grid point 68 (53/156) ======================= q-point: (-0.49 -0.06 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 2.223 -4.791 -8.291) 9.831 2.214 ( 5.634 -1.808 -4.210) 7.262 3.281 ( 0.992 0.994 0.460) 1.478 4.131 ( -10.264 9.633 2.900) 14.372 4.625 ( 1.035 -4.808 -2.758) 5.639 4.957 ( 0.238 1.750 3.062) 3.535 5.279 ( -1.670 0.248 3.589) 3.967 5.515 ( 0.416 -0.363 10.680) 10.694 5.645 ( 1.213 -1.090 5.536) 5.771 5.967 ( 3.899 -4.231 3.691) 6.835 6.094 ( -5.435 -0.632 10.723) 12.038 6.315 ( 1.916 -0.278 -2.852) 3.447 6.596 ( -0.049 5.269 -4.574) 6.978 6.858 ( -1.609 -7.503 10.952) 13.373 7.022 ( 2.365 5.805 -1.439) 6.431 7.441 ( 2.606 1.528 -7.551) 8.132 7.579 ( 2.133 -4.945 -12.032) 13.182 8.548 ( -1.457 0.698 0.125) 1.620 8.851 ( -0.718 -0.573 -4.003) 4.107 9.807 ( -4.562 -1.849 -5.288) 7.224 11.031 ( -0.699 -3.824 -1.524) 4.176 11.230 ( 5.969 0.755 0.453) 6.033 12.849 ( -0.453 -1.919 1.597) 2.537 14.408 ( -20.030 11.228 -10.303) 25.168 17.968 ( 0.388 -6.687 -4.808) 8.245 18.420 ( 15.830 -3.340 -13.948) 21.361 18.785 ( -5.019 2.163 22.110) 22.776 ======================= Grid point 70 (54/156) ======================= q-point: ( 0.51 -0.06 -0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -3.112 5.255 6.394) 8.842 2.295 ( -7.516 2.086 2.509) 8.194 3.278 ( -1.496 -1.848 3.689) 4.389 3.986 ( 6.888 -8.509 -0.816) 10.978 4.620 ( -1.230 3.027 0.724) 3.347 5.004 ( -2.907 2.059 -0.296) 3.574 5.238 ( 2.387 -0.423 2.516) 3.494 5.591 ( 2.025 1.111 2.649) 3.515 5.651 ( 0.841 -0.497 4.900) 4.997 5.978 ( -1.899 1.358 21.586) 21.712 6.125 ( -0.652 5.898 -7.611) 9.651 6.337 ( 0.611 -1.435 -3.208) 3.567 6.400 ( 3.594 -2.394 4.320) 6.108 6.899 ( 2.289 1.844 -4.061) 5.013 7.284 ( -1.255 -5.017 -3.552) 6.274 7.433 ( -1.529 0.389 -4.165) 4.454 7.545 ( -3.073 1.962 -9.992) 10.636 8.518 ( 0.940 -1.326 0.085) 1.628 8.843 ( -0.463 3.421 -3.461) 4.889 9.687 ( 2.077 6.382 -0.758) 6.755 10.998 ( -1.601 3.344 4.032) 5.477 11.334 ( -2.713 0.705 0.602) 2.867 12.821 ( 1.189 1.802 0.747) 2.284 14.054 ( 3.434 -5.665 0.209) 6.628 17.904 ( -1.199 7.929 2.447) 8.384 18.405 ( -11.078 -0.334 16.170) 19.604 19.064 ( 10.799 -1.636 -22.447) 24.963 ======================= Grid point 71 (55/156) ======================= q-point: ( 0.51 -0.06 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -6.931 7.948 6.286) 12.277 2.235 ( -5.167 7.927 5.245) 10.819 3.224 ( 0.049 -0.763 4.556) 4.620 3.915 ( 8.132 -12.150 0.701) 14.637 4.615 ( -1.582 -0.524 1.159) 2.030 5.061 ( 1.156 4.543 -0.178) 4.691 5.279 ( -0.662 0.496 0.353) 0.899 5.608 ( 0.717 -2.035 4.410) 4.910 5.681 ( 0.603 1.433 0.009) 1.555 5.977 ( 0.050 -0.156 19.673) 19.673 6.174 ( -4.108 3.375 -4.947) 7.263 6.233 ( -1.344 -3.744 2.196) 4.544 6.581 ( 6.138 5.396 -1.217) 8.263 6.891 ( 0.372 -4.016 1.725) 4.386 7.070 ( -6.169 -5.379 -13.919) 16.147 7.431 ( 0.312 2.418 3.347) 4.140 7.620 ( 0.609 3.636 -11.221) 11.811 8.515 ( 2.088 -2.181 0.336) 3.038 8.891 ( -2.148 3.149 -4.131) 5.621 9.789 ( -3.109 1.859 0.118) 3.625 11.077 ( -1.625 7.180 4.112) 8.432 11.259 ( -5.667 1.200 -0.535) 5.817 12.868 ( 0.930 -0.610 1.298) 1.709 14.031 ( 8.537 -9.765 5.163) 13.960 18.025 ( -6.925 6.302 2.035) 9.582 18.255 ( -5.474 7.503 14.834) 17.502 19.148 ( 5.890 -6.800 -23.512) 25.174 ======================= Grid point 72 (56/156) ======================= q-point: ( 0.51 -0.06 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -6.355 4.584 0.631) 7.861 2.323 ( -2.556 4.951 4.090) 6.912 3.273 ( 2.354 1.843 3.731) 4.782 3.911 ( 8.693 -3.843 2.136) 9.742 4.588 ( -2.236 2.414 1.099) 3.469 5.124 ( -0.922 -6.264 2.209) 6.706 5.209 ( -1.467 2.418 -2.709) 3.916 5.572 ( 0.114 -2.110 8.841) 9.090 5.687 ( -0.412 -1.116 -0.658) 1.359 5.963 ( -0.729 0.415 18.692) 18.711 6.057 ( -4.368 -1.484 -0.078) 4.614 6.269 ( 1.065 3.254 -3.655) 5.008 6.678 ( -4.302 -1.449 2.116) 5.008 6.801 ( 0.009 -1.582 -11.877) 11.982 7.056 ( 8.281 1.728 4.409) 9.539 7.472 ( -0.175 1.213 0.745) 1.435 7.648 ( -1.777 -0.131 -13.292) 13.411 8.517 ( 1.389 -0.905 0.075) 1.660 8.858 ( -3.674 -0.212 -3.932) 5.385 9.678 ( -6.401 -0.029 -2.217) 6.774 11.062 ( -5.388 -0.480 0.139) 5.411 11.293 ( 0.717 5.013 2.452) 5.626 12.827 ( -1.816 -1.446 0.592) 2.396 14.023 ( 6.352 -4.037 3.330) 8.230 17.915 ( -8.019 2.317 0.415) 8.357 18.434 ( -0.645 11.298 16.321) 19.860 19.039 ( 2.447 -11.863 -21.914) 25.039 ======================= Grid point 73 (57/156) ======================= q-point: (-0.21 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 6.475 -10.839 -16.012) 20.391 1.317 ( -5.199 -17.979 -14.913) 23.931 2.501 ( -0.153 -6.818 -27.955) 28.775 4.265 ( -4.073 4.349 -2.176) 6.343 4.301 ( 3.576 0.327 -2.997) 4.677 5.143 ( 0.142 1.233 -0.461) 1.324 5.187 ( 1.409 14.094 -18.296) 23.138 5.304 ( -0.320 3.595 -2.079) 4.165 5.432 ( -2.983 3.722 -8.782) 9.994 5.700 ( 2.954 -7.188 -8.443) 11.475 6.291 ( -1.616 5.667 -0.957) 5.970 6.384 ( 1.317 -1.919 4.684) 5.231 6.503 ( -0.334 1.192 -0.201) 1.254 6.706 ( -2.689 -1.648 -2.184) 3.836 6.793 ( 2.218 -7.992 -0.591) 8.315 8.108 ( -0.904 0.851 17.418) 17.462 8.135 ( 0.820 -1.707 16.664) 16.771 8.682 ( 0.059 4.081 1.775) 4.451 9.203 ( 0.153 0.890 11.252) 11.289 9.838 ( -0.131 2.396 0.829) 2.539 10.682 ( 4.361 -4.358 -7.215) 9.491 10.733 ( -4.086 -9.271 -7.348) 12.516 13.005 ( 0.031 6.668 -1.183) 6.772 14.173 ( -0.271 4.424 -7.063) 8.338 17.596 ( -0.841 -1.653 -3.198) 3.697 17.654 ( 1.005 -6.846 -3.593) 7.797 20.382 ( -0.050 5.444 22.325) 22.979 ======================= Grid point 75 (58/156) ======================= q-point: (-0.21 -0.06 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 18.224 3.232 -9.654) 20.875 1.773 ( 16.280 11.217 -9.176) 21.796 2.726 ( 8.830 3.859 -21.203) 23.290 3.972 ( -9.690 -7.973 -2.524) 12.800 4.446 ( 4.795 6.121 -2.940) 8.313 4.769 ( -11.666 -12.482 -25.973) 31.088 5.094 ( -2.731 -2.117 -0.025) 3.456 5.195 ( -7.716 3.718 -12.816) 15.415 5.396 ( -0.273 1.301 0.993) 1.659 5.845 ( -0.949 3.992 -2.977) 5.069 6.143 ( -4.436 -0.583 -1.032) 4.591 6.336 ( 3.166 -6.389 2.038) 7.417 6.638 ( 2.070 8.526 -0.334) 8.780 6.689 ( -0.996 -1.619 -0.887) 2.098 6.975 ( 5.966 0.578 -2.408) 6.460 8.086 ( -0.998 1.170 19.510) 19.571 8.158 ( 0.394 -1.829 12.237) 12.379 8.570 ( -3.494 -2.406 0.671) 4.295 9.207 ( 0.185 1.632 11.738) 11.852 9.836 ( 1.659 3.054 4.910) 6.016 10.851 ( 7.775 -0.475 -6.708) 10.280 10.981 ( 6.348 9.063 -5.549) 12.379 12.829 ( -5.003 -2.311 -2.418) 6.019 14.013 ( -4.111 -5.411 -1.711) 7.008 17.673 ( 1.688 4.065 -7.430) 8.636 17.904 ( 11.551 5.433 -0.538) 12.776 20.165 ( -11.195 -4.571 21.234) 24.436 ======================= Grid point 76 (59/156) ======================= q-point: (-0.21 -0.06 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 15.168 4.834 -6.072) 17.038 2.239 ( 10.320 8.635 -4.152) 14.082 2.871 ( 2.154 -1.400 -12.156) 12.425 3.615 ( -8.321 -8.867 -3.070) 12.542 4.348 ( -6.783 -7.658 -33.526) 35.052 4.686 ( 4.419 0.879 -2.475) 5.140 5.007 ( -1.381 3.869 -1.611) 4.412 5.211 ( -0.914 6.434 -16.202) 17.457 5.423 ( 1.021 0.605 1.465) 1.886 5.843 ( -5.503 2.442 -0.310) 6.028 6.085 ( -2.930 2.955 -1.935) 4.589 6.392 ( 7.197 -0.168 1.599) 7.375 6.525 ( -6.381 -6.049 2.269) 9.081 6.833 ( 1.127 5.960 -1.275) 6.198 7.053 ( 2.579 -0.856 -3.770) 4.647 8.063 ( -1.848 -2.264 14.847) 15.132 8.156 ( 0.785 2.882 16.844) 17.107 8.480 ( -0.172 -2.239 0.199) 2.255 9.249 ( -0.484 1.683 10.331) 10.478 10.027 ( 5.838 5.719 6.830) 10.651 10.964 ( 1.681 1.463 -8.097) 8.398 11.218 ( 2.186 4.994 -3.458) 6.455 12.795 ( 2.655 0.536 -1.380) 3.040 13.857 ( 1.268 -5.967 0.465) 6.117 17.788 ( 1.155 3.911 -11.340) 12.051 18.312 ( 12.478 8.931 4.185) 15.905 19.777 ( -15.130 -5.870 18.735) 24.787 ======================= Grid point 77 (60/156) ======================= q-point: (-0.21 -0.06 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -4.903 -2.572 -3.655) 6.634 2.528 ( -0.502 1.193 -0.163) 1.305 2.843 ( 3.368 -2.044 -12.917) 13.504 3.410 ( 6.589 -3.586 -3.692) 8.360 4.228 ( 1.253 0.325 -38.747) 38.768 4.638 ( 1.166 -3.594 2.003) 4.276 5.152 ( -3.057 8.266 -3.442) 9.462 5.297 ( -0.129 0.638 -11.578) 11.596 5.482 ( -2.282 -0.858 -8.193) 8.548 5.740 ( -4.129 1.556 3.613) 5.703 6.166 ( 0.166 3.007 2.336) 3.812 6.231 ( -7.427 1.373 -1.142) 7.638 6.560 ( 8.150 -2.648 2.513) 8.930 6.923 ( 0.356 1.981 -5.026) 5.414 7.051 ( -0.767 -1.241 -1.061) 1.804 8.003 ( -0.858 0.123 13.266) 13.295 8.226 ( 0.464 1.322 19.546) 19.596 8.461 ( 1.674 -1.807 0.339) 2.486 9.252 ( -1.355 0.988 9.142) 9.294 10.152 ( -1.993 0.218 6.303) 6.615 10.985 ( -1.743 0.279 -9.074) 9.244 11.267 ( -3.673 2.747 -2.694) 5.319 12.856 ( 2.428 -1.914 -0.137) 3.094 13.842 ( 8.267 -5.487 0.110) 9.923 17.860 ( 0.878 0.996 -11.934) 12.007 18.553 ( -4.406 -1.032 6.527) 7.942 19.514 ( -2.972 5.565 16.728) 17.878 ======================= Grid point 79 (61/156) ======================= q-point: (-0.21 -0.06 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -13.144 -9.038 -7.206) 17.504 2.247 ( -8.554 -11.131 -6.543) 15.488 2.907 ( 2.240 -3.069 -11.119) 11.750 3.704 ( 13.857 6.265 -2.223) 15.369 4.373 ( 7.806 4.943 -38.284) 39.383 4.659 ( 0.262 -0.615 1.083) 1.273 5.088 ( -4.483 -7.726 -2.787) 9.357 5.237 ( -9.345 3.685 -0.395) 10.053 5.321 ( 1.073 1.362 -10.253) 10.398 5.759 ( -7.427 6.461 -0.195) 9.847 6.115 ( 0.499 2.414 -2.897) 3.804 6.365 ( 2.465 -0.013 0.237) 2.477 6.633 ( 5.184 -0.336 5.034) 7.234 6.899 ( -2.394 -4.218 -1.665) 5.128 7.000 ( -1.017 -0.933 -5.184) 5.365 8.037 ( 0.751 2.708 12.825) 13.129 8.208 ( -0.110 -2.794 19.809) 20.005 8.477 ( 2.087 0.328 -0.053) 2.113 9.237 ( -2.423 0.725 10.075) 10.388 9.986 ( -7.364 -3.797 6.067) 10.270 10.864 ( -7.584 -1.309 -7.550) 10.781 11.253 ( -1.382 -0.555 -4.328) 4.577 12.801 ( -0.973 -2.863 -1.263) 3.277 13.935 ( 9.786 -4.122 0.803) 10.649 17.858 ( 0.847 -3.137 -9.988) 10.503 18.177 ( -16.282 -7.290 2.824) 18.062 19.815 ( 7.019 12.909 18.846) 23.897 ======================= Grid point 80 (62/156) ======================= q-point: (-0.21 -0.06 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -6.709 -11.870 -12.559) 18.538 1.826 ( -7.750 -15.297 -9.274) 19.496 2.746 ( -3.893 -9.961 -20.049) 22.723 4.069 ( 10.180 4.728 -2.735) 11.553 4.418 ( -8.316 -4.380 -5.484) 10.882 4.754 ( 10.491 11.237 -24.908) 29.270 5.098 ( 2.713 3.220 0.969) 4.321 5.221 ( -2.419 5.563 -2.147) 6.435 5.382 ( -0.136 3.970 -6.773) 7.852 5.725 ( -5.111 4.119 -4.316) 7.855 6.234 ( 1.711 4.486 -3.219) 5.780 6.312 ( 3.929 -5.998 1.007) 7.241 6.680 ( -7.585 -3.291 4.850) 9.586 6.746 ( 1.761 -0.968 -0.623) 2.104 6.925 ( -0.727 -5.331 -5.353) 7.590 8.102 ( -0.664 2.450 13.887) 14.117 8.156 ( 1.298 -2.824 18.511) 18.770 8.566 ( 2.315 3.597 0.443) 4.300 9.191 ( -1.750 0.522 11.869) 12.008 9.831 ( -2.709 -0.421 4.082) 4.917 10.721 ( -2.417 -1.951 -7.004) 7.662 11.076 ( -5.946 -10.014 -5.339) 12.812 12.825 ( 2.201 5.187 -2.263) 6.072 14.056 ( 5.236 1.080 -1.684) 5.606 17.749 ( -5.435 -4.912 -2.963) 7.902 17.800 ( -3.890 -6.242 -4.922) 8.850 20.176 ( 4.432 10.277 21.263) 24.029 ======================= Grid point 81 (63/156) ======================= q-point: ( 0.07 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( -0.531 18.720 0.000) 18.728 0.595 ( -19.568 29.174 0.000) 35.129 0.888 ( 12.378 42.419 0.000) 44.189 4.405 ( 1.089 -6.754 -0.000) 6.841 4.410 ( -6.838 -18.504 -0.000) 19.727 4.463 ( -0.745 -3.359 -0.000) 3.441 4.649 ( 10.805 -6.074 -0.000) 12.395 5.275 ( -4.627 16.620 0.000) 17.252 5.357 ( 1.723 -1.839 -0.000) 2.520 5.450 ( -1.883 -0.399 0.000) 1.925 6.012 ( 0.897 1.980 0.000) 2.174 6.486 ( -4.041 -12.400 -0.000) 13.041 6.596 ( 3.548 0.285 -0.000) 3.559 6.706 ( 2.319 0.865 -0.000) 2.475 6.938 ( -1.826 8.937 0.000) 9.122 8.638 ( -2.108 -1.001 0.000) 2.334 8.643 ( 2.393 -0.524 -0.000) 2.449 8.736 ( -0.202 -6.518 -0.000) 6.521 9.616 ( -0.086 0.282 0.000) 0.294 9.886 ( -0.255 3.994 0.000) 4.002 10.432 ( -4.013 5.667 0.000) 6.944 10.547 ( 3.698 6.941 0.000) 7.865 12.879 ( 0.071 -5.652 -0.000) 5.653 14.053 ( -0.146 -0.398 -0.000) 0.424 17.549 ( 1.565 4.428 0.000) 4.696 17.640 ( -1.285 0.484 0.000) 1.373 21.093 ( 0.052 -6.101 -0.000) 6.102 ======================= Grid point 82 (64/156) ======================= q-point: ( 0.07 -0.07 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 10.808 19.228 0.000) 22.058 1.027 ( 7.977 22.068 0.000) 23.466 1.950 ( 15.680 28.489 0.000) 32.519 3.732 ( -17.613 -18.633 -0.000) 25.640 4.096 ( -10.965 -10.007 0.000) 14.845 4.501 ( 4.546 2.792 -0.000) 5.334 4.864 ( 7.704 2.618 -0.000) 8.137 5.251 ( -7.395 -4.917 0.000) 8.881 5.372 ( 7.732 -7.112 -0.000) 10.505 5.436 ( 7.438 -3.648 -0.000) 8.285 6.127 ( -5.338 -8.891 -0.000) 10.371 6.175 ( -2.212 13.666 0.000) 13.844 6.701 ( -0.483 -0.646 -0.000) 0.807 6.799 ( 6.799 2.432 -0.000) 7.221 7.027 ( -2.918 4.135 0.000) 5.061 8.543 ( -3.394 -2.285 0.000) 4.092 8.548 ( -3.310 -5.712 -0.000) 6.602 8.717 ( 3.580 1.850 -0.000) 4.030 9.620 ( 0.450 -0.604 -0.000) 0.754 10.017 ( 3.455 5.726 0.000) 6.687 10.472 ( 2.241 1.590 -0.000) 2.748 10.873 ( 6.694 8.813 0.000) 11.067 12.732 ( -2.546 -2.701 -0.000) 3.712 14.046 ( -4.211 3.196 0.000) 5.287 17.589 ( -5.855 5.940 0.000) 8.340 17.820 ( 14.668 2.755 -0.000) 14.925 20.856 ( -5.214 -12.073 -0.000) 13.151 ======================= Grid point 83 (65/156) ======================= q-point: ( 0.07 -0.07 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 15.497 19.861 0.000) 25.192 1.683 ( 15.355 16.801 0.000) 22.761 2.594 ( 8.578 11.637 0.000) 14.457 3.007 ( -19.273 -16.121 0.000) 25.126 3.638 ( -14.906 -8.001 0.000) 16.917 4.701 ( 2.114 4.049 0.000) 4.568 4.892 ( -7.397 0.593 0.000) 7.421 5.052 ( -2.709 0.866 0.000) 2.844 5.509 ( 26.245 -13.627 -0.000) 29.572 5.513 ( 7.338 -4.846 -0.000) 8.794 5.989 ( 3.036 -1.172 -0.000) 3.254 6.369 ( -9.493 15.689 0.000) 18.337 6.561 ( -2.693 -8.892 -0.000) 9.290 6.917 ( -6.980 4.246 0.000) 8.170 7.050 ( 5.140 -0.161 -0.000) 5.143 8.434 ( -2.790 -1.717 0.000) 3.276 8.447 ( -0.867 -0.025 0.000) 0.867 8.838 ( 3.419 1.918 -0.000) 3.920 9.598 ( -0.037 -1.493 -0.000) 1.493 10.236 ( 5.529 5.482 -0.000) 7.786 10.579 ( 5.255 0.176 -0.000) 5.258 11.060 ( 3.491 1.146 -0.000) 3.675 12.761 ( 1.727 4.758 0.000) 5.061 13.969 ( -12.648 6.075 0.000) 14.031 17.570 ( -4.136 2.119 0.000) 4.647 18.325 ( 21.611 8.996 -0.000) 23.409 20.421 ( -8.521 -15.862 -0.000) 18.005 ======================= Grid point 84 (66/156) ======================= q-point: ( 0.07 -0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 1.218 6.066 0.000) 6.188 2.261 ( 14.912 18.034 0.000) 23.401 2.305 ( -19.296 -11.143 0.000) 22.282 2.807 ( 1.981 -1.976 -0.000) 2.798 3.295 ( -7.227 2.841 0.000) 7.765 4.721 ( -0.101 -8.292 -0.000) 8.293 4.724 ( -0.996 2.855 0.000) 3.023 5.071 ( -2.460 -1.394 0.000) 2.827 5.524 ( 5.685 -6.814 -0.000) 8.874 5.745 ( 21.225 -12.394 -0.000) 24.579 6.175 ( 1.136 5.176 0.000) 5.299 6.361 ( 6.447 -4.032 -0.000) 7.604 6.395 ( -16.648 12.902 0.000) 21.063 6.795 ( -7.314 0.706 0.000) 7.348 7.128 ( 3.266 -2.435 -0.000) 4.074 8.382 ( -0.449 0.107 0.000) 0.462 8.461 ( -0.998 1.782 0.000) 2.042 8.874 ( 1.491 -3.930 -0.000) 4.203 9.595 ( 0.139 1.512 0.000) 1.518 10.379 ( 0.219 1.436 0.000) 1.453 10.630 ( 1.200 -0.946 -0.000) 1.528 11.144 ( 3.822 -1.596 -0.000) 4.142 12.846 ( -2.190 1.657 0.000) 2.746 13.853 ( -11.439 8.952 0.000) 14.525 17.512 ( -1.121 -2.313 -0.000) 2.571 18.808 ( 5.288 1.179 -0.000) 5.418 20.056 ( 3.911 -6.597 -0.000) 7.669 ======================= Grid point 86 (67/156) ======================= q-point: ( 0.07 -0.07 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -22.294 -13.155 0.000) 25.885 1.922 ( -21.931 -1.916 0.000) 22.014 2.538 ( -11.320 -13.468 -0.000) 17.594 3.040 ( 16.072 23.566 0.000) 28.525 3.566 ( 11.187 12.702 0.000) 16.926 4.580 ( 8.666 -14.067 -0.000) 16.522 4.676 ( -5.847 -6.117 -0.000) 8.462 5.019 ( 3.039 3.440 0.000) 4.590 5.525 ( 5.409 -3.841 -0.000) 6.634 5.841 ( 13.508 -13.039 -0.000) 18.775 6.108 ( -1.714 -0.426 0.000) 1.766 6.235 ( -21.423 10.402 0.000) 23.815 6.653 ( 7.931 0.100 -0.000) 7.932 6.701 ( -2.479 3.349 0.000) 4.167 7.096 ( -0.125 -2.119 -0.000) 2.123 8.423 ( 1.942 2.380 0.000) 3.072 8.471 ( -0.595 2.097 0.000) 2.180 8.775 ( 0.359 -6.160 -0.000) 6.171 9.635 ( -0.138 1.375 0.000) 1.382 10.287 ( -6.850 -2.998 0.000) 7.477 10.634 ( 0.739 -0.896 -0.000) 1.161 11.064 ( -4.275 -5.870 -0.000) 7.262 12.752 ( -4.606 -1.524 0.000) 4.852 13.904 ( -3.491 9.787 0.000) 10.391 17.451 ( 1.585 -3.558 -0.000) 3.895 18.492 ( -15.391 -12.367 0.000) 19.744 20.383 ( 18.157 7.353 -0.000) 19.589 ======================= Grid point 87 (68/156) ======================= q-point: ( 0.07 -0.07 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -21.326 -10.717 0.000) 23.867 1.355 ( -31.114 0.535 0.000) 31.119 1.805 ( -24.993 -22.465 0.000) 33.606 3.839 ( 14.292 23.946 0.000) 27.887 4.064 ( 12.083 11.015 -0.000) 16.351 4.472 ( -0.401 -4.289 -0.000) 4.307 4.512 ( 13.684 -14.509 -0.000) 19.944 5.210 ( 5.388 4.200 -0.000) 6.832 5.518 ( 0.787 -3.893 -0.000) 3.972 5.703 ( -4.726 -11.378 -0.000) 12.320 6.051 ( -11.069 6.577 0.000) 12.875 6.214 ( 5.914 6.682 0.000) 8.923 6.615 ( 2.576 -5.377 -0.000) 5.963 6.736 ( -1.540 -1.499 0.000) 2.149 7.079 ( -3.707 1.770 0.000) 4.108 8.539 ( 2.542 3.857 0.000) 4.619 8.568 ( 4.663 3.357 -0.000) 5.746 8.681 ( 0.579 -3.876 -0.000) 3.919 9.633 ( -0.478 -0.548 -0.000) 0.727 10.052 ( -7.927 -3.562 0.000) 8.690 10.579 ( -6.012 0.573 0.000) 6.040 10.788 ( -6.023 -9.756 -0.000) 11.466 12.729 ( 2.666 2.639 -0.000) 3.751 14.021 ( -0.820 4.592 0.000) 4.665 17.463 ( 2.328 1.224 -0.000) 2.630 17.957 ( -12.362 -10.404 0.000) 16.158 20.845 ( 13.005 5.354 -0.000) 14.064 ======================= Grid point 89 (69/156) ======================= q-point: ( 0.35 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -7.191 14.234 5.623) 16.909 2.062 ( -0.163 14.830 7.536) 16.636 2.914 ( 0.805 9.507 16.250) 18.844 3.988 ( 6.031 -6.828 1.504) 9.234 4.469 ( -0.353 8.370 3.115) 8.938 4.723 ( -3.336 -5.757 30.055) 30.783 4.975 ( 3.100 -8.207 14.579) 17.015 5.086 ( 2.613 -3.951 1.130) 4.870 5.243 ( -3.610 -4.084 -1.143) 5.569 5.628 ( -4.223 -7.366 5.561) 10.150 6.130 ( 3.076 -3.862 1.799) 5.255 6.532 ( 4.762 -0.344 -4.275) 6.408 6.536 ( -6.321 4.408 -3.120) 8.314 6.761 ( 5.056 1.796 3.112) 6.203 7.058 ( -1.447 4.081 1.842) 4.705 8.057 ( -0.447 -1.044 -16.219) 16.259 8.192 ( 1.610 -0.263 -13.906) 14.001 8.535 ( -0.175 -1.649 -0.145) 1.665 9.164 ( -0.756 -0.368 -12.079) 12.108 9.832 ( -1.413 3.733 -8.152) 9.077 10.790 ( -4.863 -0.365 6.876) 8.430 11.156 ( 2.760 7.383 5.464) 9.591 12.761 ( -0.312 -1.901 1.476) 2.427 14.153 ( 3.283 8.810 -3.242) 9.946 17.711 ( 3.356 3.875 5.319) 7.387 17.984 ( -5.761 7.078 4.227) 10.057 19.929 ( 1.087 -17.331 -19.830) 26.359 ======================= Grid point 90 (70/156) ======================= q-point: ( 0.35 -0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 0.428 11.578 2.076) 11.770 2.336 ( 3.755 8.841 4.079) 10.436 3.027 ( -2.853 3.083 10.419) 11.234 3.858 ( -7.949 -1.018 3.217) 8.636 4.462 ( -9.581 -3.375 35.682) 37.100 4.677 ( 2.987 2.243 -1.318) 3.962 4.910 ( 5.580 -8.726 7.777) 12.953 5.163 ( 7.712 5.339 5.970) 11.119 5.286 ( 2.783 3.617 6.000) 7.539 5.450 ( 4.339 -7.469 7.030) 11.137 6.073 ( 0.598 -3.602 3.523) 5.074 6.387 ( -5.969 -5.843 -1.723) 8.529 6.623 ( 2.915 0.710 -7.325) 7.916 6.897 ( 3.804 -0.556 0.405) 3.866 7.084 ( -2.926 3.799 3.270) 5.804 8.008 ( -1.238 -1.711 -13.905) 14.064 8.214 ( 1.906 -1.476 -16.187) 16.366 8.518 ( -0.585 0.933 0.172) 1.115 9.177 ( 1.451 -0.016 -10.900) 10.996 9.960 ( 3.091 6.606 -9.433) 11.923 10.803 ( 3.385 4.014 6.566) 8.407 11.229 ( -1.768 -1.506 4.113) 4.723 12.789 ( 3.796 0.516 1.376) 4.070 14.400 ( -10.719 19.836 -6.971) 23.600 17.960 ( -4.817 1.514 9.090) 10.398 17.997 ( 14.172 6.871 0.321) 15.753 19.539 ( -0.141 -21.240 -17.031) 27.225 ======================= Grid point 91 (71/156) ======================= q-point: ( 0.35 -0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 3.190 6.030 -0.699) 6.858 2.469 ( 0.226 -3.672 -1.947) 4.162 2.996 ( -4.147 4.441 10.831) 12.419 3.733 ( -10.835 8.238 5.669) 14.745 4.296 ( -4.123 2.334 34.861) 35.181 4.764 ( 0.344 5.686 -0.699) 5.739 4.843 ( 6.059 -10.233 6.062) 13.348 5.192 ( 1.381 -7.711 13.751) 15.826 5.441 ( 12.444 -4.996 5.677) 14.562 5.509 ( -3.053 0.191 8.154) 8.709 6.063 ( 0.360 -6.561 -1.619) 6.768 6.243 ( 2.309 8.962 1.519) 9.379 6.642 ( 0.139 -2.743 -6.610) 7.157 6.848 ( -0.297 -5.626 0.117) 5.635 7.121 ( -2.096 3.763 1.811) 4.673 7.981 ( 1.017 0.363 -13.826) 13.868 8.185 ( 0.323 -3.756 -15.959) 16.398 8.532 ( -0.832 1.223 -0.059) 1.480 9.200 ( 1.231 -0.573 -10.816) 10.901 10.118 ( 0.757 2.124 -8.926) 9.206 10.982 ( -1.086 2.231 7.460) 7.862 11.127 ( 2.811 -1.495 1.545) 3.539 12.850 ( 2.934 -2.955 1.312) 4.366 14.445 ( -23.988 19.629 -7.090) 31.796 17.871 ( -3.394 -1.714 12.578) 13.140 18.435 ( 10.661 3.088 -5.098) 12.214 19.179 ( 8.694 -15.490 -14.371) 22.848 ======================= Grid point 93 (72/156) ======================= q-point: ( 0.35 -0.08 -0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -9.487 -7.776 1.184) 12.323 2.303 ( -4.811 -1.100 0.886) 5.014 3.019 ( -4.421 3.511 11.605) 12.906 3.768 ( -3.354 9.868 4.664) 11.419 4.415 ( 3.233 8.484 25.583) 27.146 4.740 ( -1.084 -3.276 6.747) 7.578 4.911 ( 2.790 1.878 7.545) 8.260 5.019 ( 1.988 -10.115 16.641) 19.575 5.339 ( -2.946 -5.478 1.084) 6.313 5.555 ( 9.587 -5.345 5.965) 12.492 6.004 ( 3.400 -0.209 1.588) 3.758 6.541 ( -3.206 -1.159 -4.932) 5.996 6.581 ( 4.073 10.189 0.057) 10.973 6.717 ( -0.798 -6.507 -3.373) 7.372 7.123 ( -2.536 1.129 2.855) 3.983 8.064 ( 1.938 1.701 -16.374) 16.576 8.113 ( 0.997 -1.445 -12.741) 12.862 8.525 ( -1.035 0.474 -0.100) 1.143 9.193 ( 0.328 -1.759 -11.600) 11.737 10.025 ( -6.026 -4.590 -9.713) 12.317 10.872 ( -0.002 -5.003 7.126) 8.707 11.221 ( -0.974 1.651 3.233) 3.759 12.793 ( -0.232 -3.730 1.449) 4.008 14.294 ( -21.569 13.101 -6.609) 26.087 17.769 ( -3.134 -1.438 11.623) 12.123 18.303 ( -6.503 -10.887 -2.357) 12.898 19.468 ( 22.891 2.370 -16.779) 28.481 ======================= Grid point 97 (73/156) ======================= q-point: (-0.37 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 0.799 -4.969 -8.909) 10.233 2.090 ( 0.915 -11.581 -8.366) 14.316 3.236 ( -0.116 -3.647 -5.913) 6.948 4.218 ( -4.788 10.388 -0.949) 11.478 4.491 ( 1.500 -1.959 -4.154) 4.832 5.097 ( 4.891 0.840 4.232) 6.522 5.253 ( -1.722 1.633 -3.842) 4.516 5.625 ( -0.386 2.962 -2.571) 3.942 5.715 ( 1.357 1.727 1.172) 2.490 5.978 ( -0.625 1.706 -10.957) 11.106 6.023 ( -0.524 -0.377 1.871) 1.979 6.323 ( -4.218 2.214 2.238) 5.263 6.537 ( 5.936 -0.019 -5.912) 8.378 6.902 ( -0.319 2.562 8.300) 8.692 7.163 ( -7.988 -5.642 -10.101) 14.060 7.414 ( -0.511 -1.983 7.025) 7.318 7.501 ( 6.361 -5.056 15.213) 17.247 8.565 ( 0.050 2.322 0.590) 2.397 8.841 ( 0.406 1.779 3.306) 3.776 9.712 ( -0.858 6.962 -0.839) 7.065 10.970 ( 2.496 -1.167 -2.905) 4.004 11.171 ( -2.047 -8.553 -4.121) 9.712 12.866 ( 0.178 3.774 1.393) 4.027 14.320 ( -0.490 15.505 -9.731) 18.313 17.790 ( -0.133 -1.567 -3.975) 4.274 18.151 ( 0.622 -14.175 -12.291) 18.772 19.275 ( -0.270 8.174 25.339) 26.626 ======================= Grid point 98 (74/156) ======================= q-point: (-0.37 -0.08 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 3.631 -4.749 -11.927) 13.341 1.938 ( 7.241 -7.325 -10.655) 14.820 3.188 ( 1.892 -1.770 -7.118) 7.575 4.297 ( -6.473 10.416 -2.876) 12.596 4.532 ( 0.952 -2.453 -5.036) 5.681 5.075 ( -1.371 -1.664 6.793) 7.127 5.283 ( -0.550 1.075 -4.804) 4.954 5.680 ( -0.870 3.196 0.056) 3.313 5.702 ( -2.911 -0.261 2.670) 3.958 6.006 ( 3.863 -1.768 4.245) 6.006 6.045 ( -1.873 0.140 -9.821) 9.999 6.333 ( -1.791 5.750 -0.420) 6.037 6.566 ( -2.368 -1.799 -2.571) 3.931 6.928 ( -2.405 -2.866 -9.045) 9.788 7.056 ( 8.093 3.146 5.159) 10.100 7.378 ( 0.689 -1.076 5.809) 5.948 7.471 ( 2.440 -6.681 14.808) 16.428 8.594 ( -1.789 1.729 1.154) 2.743 8.864 ( -0.887 0.643 3.430) 3.600 9.819 ( -3.103 3.826 -2.110) 5.359 10.958 ( -0.202 -3.041 -5.782) 6.536 11.069 ( 6.686 -3.808 -4.018) 8.680 12.916 ( -1.616 1.500 3.083) 3.790 14.508 ( -12.317 12.613 -14.151) 22.607 17.821 ( 3.684 -3.000 -4.919) 6.839 17.947 ( 7.346 -8.314 -9.664) 14.713 19.360 ( -3.823 3.967 26.314) 26.885 ======================= Grid point 101 (75/156) ======================= q-point: (-0.37 -0.08 0.66) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -0.961 8.320 4.389) 9.456 2.359 ( -2.866 3.295 -0.788) 4.438 3.238 ( 0.792 -3.049 -2.724) 4.165 3.725 ( 6.190 -11.722 -2.966) 13.584 4.616 ( 1.756 -3.533 0.883) 4.043 5.087 ( -4.058 6.668 -4.683) 9.103 5.278 ( -0.448 1.609 0.579) 1.768 5.548 ( -0.866 1.275 -6.960) 7.129 5.691 ( -0.982 1.152 -1.869) 2.405 6.058 ( 3.956 4.679 -16.054) 17.184 6.110 ( -1.779 4.214 -4.228) 6.229 6.324 ( 0.886 -0.608 4.184) 4.320 6.520 ( -4.935 -7.901 -3.715) 10.029 6.899 ( 2.272 -4.279 17.785) 18.433 6.991 ( 0.479 7.154 -7.515) 10.386 7.462 ( -0.508 -0.135 0.646) 0.833 7.643 ( -0.539 -0.151 11.140) 11.154 8.487 ( 1.447 -2.091 0.405) 2.575 8.925 ( -1.934 4.089 3.002) 5.429 9.862 ( 0.227 6.466 3.680) 7.443 11.164 ( -1.507 7.199 0.251) 7.359 11.303 ( -2.755 -0.962 -2.764) 4.019 12.864 ( 1.551 0.603 0.480) 1.732 13.932 ( 6.764 -6.871 1.299) 9.729 18.142 ( -0.388 9.335 1.078) 9.405 18.609 ( 7.063 -1.783 -16.076) 17.649 18.751 ( -11.401 -0.024 17.105) 20.557 ======================= Grid point 102 (76/156) ======================= q-point: (-0.37 -0.08 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -9.123 0.744 -2.371) 9.455 2.440 ( -2.879 0.689 2.385) 3.802 3.232 ( 2.812 -0.198 -2.464) 3.744 3.731 ( 11.298 -4.252 -0.602) 12.086 4.600 ( 2.367 -0.925 0.778) 2.658 5.161 ( -1.741 5.280 -4.878) 7.396 5.218 ( -4.839 -2.939 -1.202) 5.788 5.570 ( -0.482 1.618 -2.303) 2.855 5.671 ( -2.139 0.150 -4.406) 4.900 6.141 ( -4.886 -2.962 -15.693) 16.701 6.192 ( -1.177 -1.842 -6.498) 6.856 6.263 ( 2.237 6.908 -8.937) 11.515 6.328 ( -0.947 -3.213 7.611) 8.316 6.869 ( -0.487 1.440 12.385) 12.478 7.159 ( 4.296 2.748 6.264) 8.078 7.471 ( -0.043 0.086 -2.163) 2.165 7.614 ( -0.445 -1.893 10.846) 11.019 8.486 ( 2.024 -1.392 0.384) 2.487 8.929 ( -3.858 1.563 2.706) 4.965 9.838 ( -7.837 0.095 2.617) 8.263 11.155 ( -7.632 -1.528 -3.795) 8.659 11.296 ( 0.781 5.008 -0.460) 5.089 12.867 ( -0.616 -1.533 0.513) 1.730 13.956 ( 8.103 -6.024 3.727) 10.763 18.119 ( -10.741 0.773 0.495) 10.780 18.568 ( 1.130 -6.644 -16.624) 17.938 18.805 ( 1.532 10.315 17.229) 20.139 ======================= Grid point 104 (77/156) ======================= q-point: (-0.09 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -0.000 0.000 -19.398) 19.398 0.734 ( -0.000 0.000 -19.398) 19.398 1.759 ( -0.000 0.000 -39.670) 39.670 4.301 ( 0.000 -0.000 1.723) 1.723 4.301 ( 0.000 -0.000 1.723) 1.723 5.182 ( -0.000 0.000 -15.857) 15.857 5.182 ( -0.000 0.000 -15.857) 15.857 5.196 ( -0.000 0.000 -9.789) 9.789 5.196 ( 0.000 -0.000 4.595) 4.595 5.426 ( 0.000 -0.000 1.402) 1.402 6.240 ( -0.000 0.000 -8.256) 8.256 6.493 ( 0.000 -0.000 5.762) 5.762 6.637 ( 0.000 -0.000 5.486) 5.486 6.667 ( 0.000 -0.000 0.013) 0.013 6.667 ( 0.000 -0.000 0.013) 0.013 8.406 ( 0.000 -0.000 12.282) 12.282 8.406 ( 0.000 -0.000 12.282) 12.282 8.771 ( 0.000 -0.000 1.909) 1.909 9.415 ( 0.000 -0.000 9.359) 9.359 9.858 ( -0.000 0.000 -0.514) 0.514 10.492 ( -0.000 0.000 -6.296) 6.296 10.492 ( -0.000 0.000 -6.296) 6.296 13.037 ( -0.000 0.000 -3.303) 3.303 14.104 ( -0.000 0.000 -3.560) 3.560 17.530 ( -0.000 0.000 -1.926) 1.926 17.530 ( -0.000 0.000 -1.926) 1.926 20.819 ( 0.000 -0.000 16.613) 16.613 ======================= Grid point 106 (78/156) ======================= q-point: (-0.09 -0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 21.437 8.275 -8.060) 24.351 1.807 ( 12.884 10.815 -15.226) 22.689 2.519 ( 8.873 12.695 -14.352) 21.115 3.748 ( -12.036 -6.914 -9.033) 16.561 3.977 ( -13.501 -16.327 -17.940) 27.762 4.570 ( 4.733 7.083 -0.300) 8.524 5.023 ( -5.563 2.185 -7.628) 9.690 5.087 ( -5.680 -0.114 -1.552) 5.889 5.411 ( 5.693 -4.201 3.526) 7.905 5.815 ( 7.329 -2.374 -2.483) 8.094 6.138 ( -2.114 -0.735 -1.433) 2.658 6.223 ( 1.006 2.780 -4.861) 5.690 6.705 ( -1.523 -1.497 0.490) 2.191 6.782 ( -5.255 7.305 -0.712) 9.027 6.956 ( 6.451 -0.689 2.701) 7.028 8.293 ( -1.549 -3.093 8.041) 8.754 8.471 ( -0.583 3.579 12.195) 12.723 8.521 ( -1.805 -2.775 2.390) 4.083 9.437 ( 0.931 -0.047 9.236) 9.283 10.013 ( 6.600 4.248 5.250) 9.443 10.715 ( 7.649 0.235 -6.292) 9.907 11.077 ( 3.624 7.868 -4.557) 9.788 12.739 ( -0.709 -0.455 -2.012) 2.182 13.923 ( -5.702 -2.025 0.418) 6.065 17.619 ( -1.529 4.439 -6.249) 7.816 18.078 ( 16.451 8.070 2.708) 18.523 20.379 ( -10.934 -9.634 15.161) 21.029 ======================= Grid point 107 (79/156) ======================= q-point: (-0.09 -0.09 0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 12.563 4.481 -3.959) 13.913 2.299 ( 13.281 11.633 -11.035) 20.820 2.670 ( -4.859 -2.412 -5.808) 7.947 3.397 ( -10.525 -6.918 -2.285) 12.800 3.514 ( -4.342 -4.142 -35.159) 35.668 4.677 ( -0.566 -2.001 1.915) 2.827 5.035 ( -2.069 2.782 -12.384) 12.860 5.116 ( 2.347 7.261 -2.776) 8.120 5.433 ( 2.587 -2.153 2.689) 4.308 5.848 ( 2.954 -2.412 3.266) 5.021 6.180 ( -2.186 6.421 0.626) 6.812 6.311 ( 9.726 -6.249 -5.362) 12.744 6.500 ( -10.911 -1.122 1.201) 11.034 6.811 ( -1.324 1.646 -4.663) 5.119 7.068 ( 2.494 1.132 2.730) 3.867 8.223 ( -0.684 -1.334 8.279) 8.414 8.447 ( -0.447 -0.328 0.036) 0.556 8.571 ( 0.717 2.618 15.540) 15.775 9.431 ( -0.025 -0.834 7.790) 7.834 10.231 ( 4.746 2.866 5.174) 7.583 10.818 ( 1.642 0.118 -7.922) 8.091 11.222 ( 2.589 1.487 -3.363) 4.497 12.802 ( 1.534 2.244 -0.486) 2.761 13.785 ( -3.581 -0.884 -0.222) 3.695 17.664 ( -0.681 1.939 -7.715) 7.984 18.584 ( 12.810 7.454 5.461) 15.795 19.949 ( -9.843 -7.859 13.253) 18.284 ======================= Grid point 111 (80/156) ======================= q-point: ( 0.19 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -2.154 17.323 19.681) 26.308 1.242 ( -13.686 24.846 9.282) 29.846 1.779 ( 7.860 31.613 12.415) 34.861 4.117 ( -9.762 -11.396 4.842) 15.767 4.186 ( 4.193 -10.284 -2.149) 11.312 4.399 ( 1.906 -3.839 1.983) 4.723 4.639 ( 13.940 -9.950 11.993) 20.908 5.245 ( 1.953 -3.318 -4.197) 5.695 5.398 ( -4.687 -4.179 -0.826) 6.334 5.526 ( -8.850 0.505 4.845) 10.102 6.151 ( 2.211 3.264 -0.064) 3.943 6.302 ( -3.776 -1.482 4.961) 6.409 6.613 ( 7.442 2.512 -1.603) 8.016 6.706 ( -0.375 0.424 -0.622) 0.842 7.055 ( -1.719 5.293 -2.867) 6.260 8.533 ( -2.682 -3.079 -5.902) 7.177 8.573 ( 4.174 -0.888 -5.296) 6.802 8.618 ( -0.797 -4.270 -0.253) 4.352 9.561 ( -0.510 -0.203 -5.899) 5.925 9.968 ( -1.166 6.010 -3.043) 6.837 10.554 ( -6.349 2.443 3.362) 7.588 10.757 ( 5.449 11.531 2.649) 13.026 12.776 ( 0.018 -5.225 1.335) 5.393 14.078 ( 1.042 4.012 -0.334) 4.158 17.566 ( 8.214 -0.302 -0.197) 8.222 17.749 ( -8.663 9.232 0.372) 12.666 20.820 ( 0.379 -12.754 -8.491) 15.327 ======================= Grid point 112 (81/156) ======================= q-point: ( 0.19 -0.10 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 5.942 19.452 11.363) 23.298 1.577 ( 0.341 22.955 10.917) 25.421 2.467 ( 8.133 16.184 5.914) 19.053 3.527 ( -17.999 -13.010 13.513) 25.997 3.908 ( -10.301 -8.161 0.354) 13.146 4.597 ( 8.139 7.244 -0.833) 10.928 4.889 ( 21.368 -5.851 4.162) 22.542 5.112 ( -4.287 -5.537 -2.185) 7.336 5.183 ( -5.053 -7.470 1.312) 9.114 5.386 ( 8.094 -7.627 4.870) 12.141 6.010 ( -2.470 -4.166 1.746) 5.149 6.494 ( -4.151 11.697 -0.544) 12.424 6.635 ( -0.782 -2.765 2.084) 3.550 6.854 ( 7.250 3.259 -1.086) 8.022 7.058 ( -4.402 0.993 -2.521) 5.169 8.419 ( -2.789 -1.643 -5.178) 6.107 8.508 ( -2.109 -1.764 0.399) 2.778 8.682 ( 5.260 0.445 -6.256) 8.186 9.543 ( 0.274 -1.324 -5.495) 5.659 10.111 ( 2.106 7.435 -4.414) 8.900 10.528 ( 1.834 1.308 3.513) 4.174 11.032 ( 3.179 3.692 3.304) 5.886 12.728 ( 1.649 0.994 0.635) 2.028 14.199 ( -9.009 13.404 -1.225) 16.197 17.698 ( -4.114 1.581 2.318) 4.980 17.898 ( 15.524 7.356 -1.102) 17.214 20.467 ( -3.411 -18.675 -7.794) 20.522 ======================= Grid point 113 (82/156) ======================= q-point: ( 0.19 -0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 7.911 15.883 1.232) 17.786 2.126 ( 9.571 19.974 10.626) 24.566 2.677 ( -6.263 -3.112 0.965) 7.059 3.000 ( -9.242 -4.686 21.627) 23.981 3.550 ( -13.740 -0.978 1.304) 13.837 4.739 ( -1.205 2.344 -1.002) 2.820 4.829 ( -3.060 -12.384 5.951) 14.076 5.144 ( -0.295 0.780 1.427) 1.653 5.190 ( 17.066 -5.250 -2.765) 18.068 5.462 ( 15.826 -10.063 6.620) 19.888 6.048 ( 6.463 6.671 -0.099) 9.289 6.332 ( -5.396 -8.879 -2.631) 10.718 6.710 ( -8.575 11.278 3.190) 14.522 6.933 ( -6.177 -1.689 -1.564) 6.592 7.011 ( 5.927 -1.314 -1.110) 6.172 8.352 ( -1.446 -0.668 -5.217) 5.454 8.487 ( -1.061 2.121 0.500) 2.424 8.752 ( 3.447 -3.392 -6.996) 8.505 9.536 ( 0.964 0.064 -4.972) 5.065 10.309 ( 2.410 5.509 -4.263) 7.371 10.650 ( 2.228 2.937 4.480) 5.802 11.073 ( 3.118 -1.749 2.319) 4.261 12.837 ( 3.319 1.392 0.388) 3.620 14.199 ( -21.192 17.530 -1.248) 27.531 17.600 ( -3.832 -2.324 3.681) 5.799 18.486 ( 20.601 9.151 -2.868) 22.723 19.988 ( -2.097 -19.757 -6.689) 20.964 ======================= Grid point 114 (83/156) ======================= q-point: ( 0.19 -0.10 -0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -16.268 -8.668 7.167) 19.777 2.267 ( -11.340 1.651 3.865) 12.093 2.627 ( 2.444 3.602 -0.410) 4.373 3.007 ( 5.318 12.662 21.354) 25.388 3.471 ( -1.769 11.805 1.713) 12.059 4.541 ( 4.546 -16.862 9.496) 19.879 4.791 ( -4.196 2.064 -0.529) 4.706 5.004 ( -1.642 -4.889 0.292) 5.166 5.333 ( 9.195 -4.929 -1.725) 10.574 5.588 ( 16.284 -10.908 5.307) 20.305 6.086 ( -2.104 -5.506 -3.061) 6.642 6.451 ( 9.360 10.113 -2.068) 13.934 6.651 ( -13.842 6.150 1.242) 15.197 6.796 ( -5.367 0.373 1.070) 5.485 7.045 ( 3.271 -3.573 -0.752) 4.902 8.355 ( 0.863 1.815 -4.475) 4.905 8.499 ( -1.881 1.595 -0.129) 2.470 8.689 ( 1.373 -6.418 -6.825) 9.469 9.574 ( 0.972 0.672 -5.492) 5.618 10.358 ( -3.665 -0.234 -3.911) 5.365 10.661 ( -0.234 -1.272 5.027) 5.191 11.119 ( 1.253 -1.883 1.722) 2.843 12.832 ( -1.619 -3.293 0.475) 3.700 14.126 ( -20.044 18.029 -1.698) 27.012 17.482 ( -0.736 -3.945 4.420) 5.970 18.691 ( -5.786 -9.413 -3.173) 11.495 19.916 ( 19.894 -0.597 -6.695) 20.999 ======================= Grid point 115 (84/156) ======================= q-point: ( 0.19 -0.10 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -20.436 -8.430 15.939) 27.253 1.927 ( -21.579 -3.847 2.816) 22.099 2.329 ( -17.890 -8.640 7.495) 21.234 3.644 ( 10.759 23.898 6.886) 27.098 3.853 ( 10.392 13.229 3.555) 17.194 4.351 ( 10.165 -16.280 10.621) 21.936 4.547 ( -4.816 -5.817 1.529) 7.705 5.096 ( 4.209 3.987 -1.760) 6.059 5.402 ( 7.143 -5.429 -1.600) 9.113 5.636 ( 10.232 -11.435 3.145) 15.664 6.059 ( 3.973 0.938 -1.998) 4.545 6.461 ( -15.835 5.569 3.753) 17.200 6.599 ( -0.697 -1.564 -0.235) 1.728 6.758 ( -2.012 0.524 -1.560) 2.599 7.076 ( 1.803 1.656 -1.514) 2.879 8.451 ( 1.571 4.462 -4.172) 6.308 8.503 ( 1.239 0.449 -1.209) 1.788 8.603 ( 1.417 -3.921 -5.388) 6.813 9.579 ( 0.214 -1.146 -5.930) 6.043 10.178 ( -8.249 -3.681 -4.479) 10.082 10.648 ( 2.233 -2.997 4.415) 5.785 10.973 ( -8.493 -3.955 2.713) 9.754 12.730 ( -1.071 -1.300 0.742) 1.841 14.116 ( -11.444 11.096 -1.891) 16.052 17.448 ( 1.407 0.658 3.383) 3.723 18.203 ( -12.545 -13.646 -1.534) 18.599 20.429 ( 20.342 4.600 -7.807) 22.269 ======================= Grid point 118 (85/156) ======================= q-point: ( 0.47 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -4.286 6.464 -0.491) 7.771 2.336 ( 1.379 3.043 1.052) 3.503 3.232 ( -0.220 1.619 6.757) 6.952 3.981 ( 1.482 2.778 3.324) 4.578 4.606 ( 0.966 1.886 -0.004) 2.119 5.019 ( 0.682 -1.478 0.787) 1.808 5.099 ( -1.596 -4.784 13.393) 14.311 5.266 ( 2.487 -3.141 15.263) 15.780 5.430 ( -1.356 7.983 21.649) 23.114 5.630 ( -2.617 -2.523 10.120) 10.753 6.061 ( 3.780 -4.965 -0.504) 6.260 6.415 ( -2.278 -1.916 -4.966) 5.790 6.514 ( -5.732 2.569 -3.263) 7.079 6.807 ( 7.029 -3.070 2.750) 8.148 7.165 ( 0.806 0.366 1.802) 2.008 7.727 ( -0.062 0.605 -16.368) 16.379 7.869 ( 0.734 -2.816 -15.562) 15.832 8.528 ( -0.112 0.586 0.132) 0.611 8.955 ( -0.191 1.165 -9.680) 9.752 9.760 ( -1.784 6.220 -8.672) 10.820 10.910 ( -1.912 0.589 5.293) 5.659 11.306 ( 0.435 -0.371 2.249) 2.320 12.778 ( -0.141 0.334 1.416) 1.461 14.315 ( 2.710 18.115 -8.055) 20.009 17.871 ( -0.692 4.161 0.317) 4.230 18.273 ( -2.444 5.200 14.859) 15.931 19.163 ( 1.873 -19.790 -19.142) 27.597 ======================= Grid point 119 (86/156) ======================= q-point: ( 0.47 -0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 1.445 4.103 -3.380) 5.509 2.383 ( 2.623 -3.804 -3.628) 5.875 3.218 ( -2.208 0.975 5.228) 5.758 4.027 ( -7.648 9.656 4.109) 12.984 4.673 ( 1.706 2.104 -2.547) 3.718 4.923 ( -2.487 -5.860 8.449) 10.579 5.011 ( -1.585 0.111 21.363) 21.422 5.347 ( 8.397 -2.650 9.947) 13.285 5.442 ( 0.185 -4.219 12.094) 12.810 5.770 ( 0.789 10.931 17.225) 20.416 5.995 ( 3.111 -7.143 0.375) 7.800 6.305 ( -2.718 0.926 -1.433) 3.209 6.497 ( -1.092 1.149 -4.308) 4.591 6.846 ( 3.718 -5.095 1.271) 6.434 7.147 ( -1.041 -1.303 -1.050) 1.971 7.685 ( -1.421 -0.995 -16.265) 16.357 7.857 ( 2.623 -2.912 -14.910) 15.416 8.543 ( -0.235 1.006 0.283) 1.071 8.985 ( 0.452 0.462 -9.020) 9.043 9.918 ( 0.838 7.185 -9.012) 11.556 11.003 ( 4.492 5.195 3.051) 7.515 11.214 ( -3.891 -4.656 0.942) 6.140 12.811 ( 3.282 -1.444 2.231) 4.223 14.660 ( -14.114 23.347 -12.242) 29.902 18.010 ( 5.527 2.534 -4.031) 7.295 18.327 ( 1.569 3.158 17.751) 18.098 18.793 ( 3.048 -20.137 -14.247) 24.855 ======================= Grid point 120 (87/156) ======================= q-point: ( 0.47 -0.10 -0.61) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 0.979 -2.330 -5.805) 6.331 2.281 ( 0.923 -2.072 -2.786) 3.593 3.225 ( -0.630 2.142 5.131) 5.596 4.043 ( -10.942 8.973 5.964) 15.356 4.657 ( -0.500 -4.149 0.451) 4.204 4.898 ( 2.029 4.484 3.456) 6.015 5.026 ( 1.995 0.967 22.035) 22.146 5.298 ( 0.593 -6.426 12.160) 13.766 5.486 ( 5.074 -1.673 9.430) 10.838 5.768 ( -8.413 -1.095 17.159) 19.142 5.941 ( 4.147 -3.088 0.151) 5.173 6.422 ( 2.602 0.955 -5.976) 6.587 6.559 ( 3.002 7.717 4.456) 9.403 6.716 ( -1.889 -8.401 2.252) 8.900 7.133 ( 0.633 0.730 -5.006) 5.098 7.697 ( 1.377 2.175 -16.678) 16.875 7.831 ( 1.721 -3.339 -13.644) 14.151 8.546 ( -0.865 0.252 0.150) 0.914 8.985 ( -0.441 -0.453 -9.327) 9.349 9.949 ( -5.172 -0.949 -9.084) 10.496 11.020 ( -3.818 -4.817 2.564) 6.660 11.214 ( 4.646 4.075 0.916) 6.248 12.811 ( 1.513 -3.291 2.218) 4.247 14.620 ( -25.882 14.195 -11.338) 31.622 18.017 ( -2.519 -4.409 2.192) 5.531 18.427 ( -2.648 -3.343 11.145) 11.933 18.708 ( 20.748 -2.310 -14.329) 25.320 ======================= Grid point 123 (88/156) ======================= q-point: ( 0.47 -0.10 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -5.791 14.017 9.448) 17.869 2.136 ( -9.744 8.593 5.301) 14.032 3.077 ( -1.315 0.330 10.582) 10.668 3.884 ( 6.978 -12.320 2.251) 14.337 4.597 ( -3.840 1.956 0.853) 4.394 5.045 ( 2.150 -0.038 1.165) 2.445 5.195 ( 2.828 -3.022 30.921) 31.197 5.294 ( 1.163 1.734 1.531) 2.589 5.545 ( 0.105 -0.701 11.684) 11.705 5.839 ( 3.607 2.415 -2.555) 5.037 6.187 ( -1.740 -4.266 1.387) 4.811 6.278 ( -2.963 1.962 -2.793) 4.520 6.600 ( 5.490 -1.672 -1.907) 6.048 6.807 ( -6.545 1.807 2.926) 7.394 7.134 ( -2.231 1.348 7.599) 8.034 7.676 ( -1.316 -2.500 -23.918) 24.084 7.874 ( 1.705 2.251 -13.453) 13.746 8.511 ( 2.414 -2.451 0.075) 3.441 9.029 ( -1.755 2.889 -9.557) 10.137 9.823 ( -3.428 3.393 -3.376) 5.887 10.976 ( -0.911 8.279 6.121) 10.336 11.238 ( -6.982 2.180 2.533) 7.741 12.832 ( 1.601 -1.366 2.302) 3.119 13.955 ( 4.556 -7.733 2.684) 9.369 17.977 ( -8.432 1.943 9.656) 12.966 18.019 ( -3.430 12.373 2.700) 13.120 19.606 ( 7.393 -8.544 -23.272) 25.870 ======================= Grid point 125 (89/156) ======================= q-point: (-0.25 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 3.086 -6.654 -15.106) 16.793 1.604 ( -2.418 -13.092 -14.454) 19.652 2.934 ( -0.062 -4.332 -16.884) 17.431 4.331 ( -3.739 5.513 -4.301) 7.929 4.382 ( 3.103 0.174 -5.060) 5.939 5.185 ( 0.235 0.700 -4.150) 4.215 5.220 ( 0.525 0.874 6.310) 6.392 5.586 ( -0.173 7.431 -17.445) 18.963 5.625 ( -0.694 5.659 -8.607) 10.324 5.843 ( 1.725 -0.883 -7.114) 7.373 6.168 ( -1.195 -0.691 10.226) 10.319 6.387 ( -0.615 4.195 -1.649) 4.549 6.497 ( 0.234 -0.124 -0.062) 0.272 6.799 ( 2.049 -3.106 -7.577) 8.442 6.865 ( -1.883 -7.486 -6.352) 9.997 7.734 ( -2.616 0.913 20.584) 20.769 7.777 ( 2.695 -3.004 19.863) 20.269 8.647 ( 0.033 3.108 1.834) 3.609 8.999 ( 0.122 1.195 9.176) 9.254 9.831 ( -0.204 4.777 -0.266) 4.789 10.823 ( 3.311 -3.065 -7.056) 8.376 10.877 ( -3.084 -8.140 -7.314) 11.370 12.996 ( 0.045 4.853 2.056) 5.270 14.363 ( -0.231 9.126 -12.505) 15.483 17.670 ( 0.212 -1.594 -4.370) 4.657 17.745 ( -0.054 -8.331 -5.907) 10.213 19.913 ( -0.046 4.907 25.812) 26.275 ======================= Grid point 128 (90/156) ======================= q-point: (-0.25 -0.11 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 11.293 7.475 -3.674) 14.032 2.300 ( 6.166 5.296 -3.167) 8.723 3.087 ( 1.221 -2.585 -9.422) 9.846 3.673 ( -7.194 -9.249 -2.881) 12.067 4.608 ( 0.192 -0.422 -0.112) 0.476 5.003 ( -3.526 -3.489 -11.213) 12.261 5.166 ( -0.933 3.877 -23.961) 24.290 5.369 ( 4.689 3.640 1.378) 6.094 5.534 ( -0.022 2.291 -14.931) 15.106 5.837 ( -2.628 1.062 1.076) 3.031 6.115 ( -2.834 1.709 -1.284) 3.550 6.348 ( 4.359 2.337 3.037) 5.804 6.522 ( -4.668 -9.039 -2.497) 10.476 6.851 ( 1.776 7.723 -2.055) 8.187 7.138 ( -0.612 0.208 -2.083) 2.182 7.658 ( 0.479 -0.224 22.387) 22.394 7.893 ( -0.255 -1.018 12.426) 12.471 8.478 ( -0.434 -2.140 -0.001) 2.183 9.062 ( 0.026 2.987 8.526) 9.034 9.905 ( 4.311 6.859 5.430) 9.752 11.104 ( 2.535 2.578 -6.003) 7.008 11.272 ( 1.489 3.854 -1.934) 4.561 12.824 ( 1.063 0.157 -1.494) 1.840 13.860 ( -0.494 -4.867 -0.924) 4.978 18.020 ( 2.281 6.478 -11.040) 13.002 18.261 ( 10.799 4.867 -0.653) 11.863 19.387 ( -12.910 -4.870 21.158) 25.260 ======================= Grid point 129 (91/156) ======================= q-point: (-0.25 -0.11 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -6.011 -0.588 -3.966) 7.225 2.516 ( 0.058 2.766 1.431) 3.115 3.063 ( 2.398 -1.969 -9.323) 9.826 3.479 ( 6.683 -4.648 -3.312) 8.788 4.579 ( 1.456 -1.370 1.606) 2.564 4.907 ( 0.378 -0.653 -25.060) 25.071 5.239 ( -3.711 5.208 -6.331) 8.999 5.500 ( 0.274 1.190 -7.400) 7.500 5.670 ( 1.415 6.622 -4.589) 8.180 5.730 ( -5.831 -6.815 -12.074) 15.040 6.130 ( -0.449 1.526 0.290) 1.617 6.252 ( -2.643 0.332 -0.870) 2.803 6.476 ( 3.324 -1.410 6.086) 7.076 7.024 ( 0.196 4.845 -5.206) 7.114 7.085 ( -0.550 -1.786 -0.278) 1.889 7.665 ( 0.990 -0.181 20.416) 20.441 7.882 ( -0.357 -0.118 14.884) 14.888 8.455 ( 1.532 -1.582 0.339) 2.229 9.088 ( -1.810 1.744 7.244) 7.667 10.035 ( -2.557 1.236 5.407) 6.107 11.150 ( -1.872 -0.004 -7.676) 7.901 11.306 ( -3.315 3.359 -1.183) 4.865 12.856 ( 2.226 -1.782 0.134) 2.855 13.840 ( 5.820 -3.720 0.104) 6.908 18.120 ( 0.069 1.142 -14.288) 14.334 18.445 ( -2.860 -1.568 3.777) 4.990 19.166 ( -2.419 4.793 18.966) 19.711 ======================= Grid point 131 (92/156) ======================= q-point: (-0.25 -0.11 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -11.861 -5.396 -7.595) 15.082 2.331 ( -6.249 -9.220 -2.720) 11.465 3.107 ( 2.831 -1.454 -8.846) 9.401 3.744 ( 13.393 6.068 -1.643) 14.795 4.626 ( 2.220 0.288 1.223) 2.551 4.995 ( 3.055 3.444 -15.087) 15.773 5.244 ( -5.110 3.826 -1.782) 6.628 5.279 ( -6.104 -11.268 -22.962) 26.296 5.540 ( -1.648 0.313 -11.748) 11.867 5.740 ( -4.399 5.659 0.663) 7.199 6.177 ( 2.868 2.108 -3.224) 4.803 6.340 ( -0.911 -0.391 2.614) 2.796 6.504 ( 2.783 2.632 6.818) 7.820 6.933 ( -1.966 -5.279 -1.174) 5.755 7.146 ( 0.285 0.947 -8.506) 8.563 7.701 ( 2.996 -0.411 21.879) 22.087 7.854 ( -1.586 -0.372 15.187) 15.274 8.478 ( 2.139 0.534 -0.077) 2.206 9.052 ( -3.772 -0.245 8.510) 9.312 9.883 ( -7.510 -2.458 4.292) 8.992 11.005 ( -7.807 -1.839 -6.732) 10.471 11.321 ( -0.628 -0.630 -2.398) 2.558 12.826 ( -0.590 -1.382 -1.305) 1.990 13.922 ( 7.916 -1.625 0.516) 8.098 18.060 ( -6.643 -2.276 -7.983) 10.632 18.163 ( -6.975 -7.972 -4.492) 11.506 19.421 ( 5.903 10.917 21.434) 24.768 ======================= Grid point 141 (93/156) ======================= q-point: ( 0.31 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -6.877 17.655 7.691) 20.448 1.891 ( -4.015 18.222 10.225) 21.277 2.570 ( 2.966 16.112 17.504) 23.974 3.970 ( 6.145 -8.171 0.309) 10.228 4.197 ( -11.204 -5.382 21.037) 24.435 4.425 ( 5.485 1.375 4.149) 7.013 4.692 ( 11.299 -8.133 12.842) 18.940 5.101 ( 1.778 -3.948 -2.288) 4.897 5.270 ( -5.703 -5.580 -0.851) 8.024 5.518 ( -6.347 -8.551 5.413) 11.946 6.087 ( 0.791 -5.101 2.235) 5.625 6.553 ( -2.122 6.426 0.270) 6.772 6.600 ( 3.072 1.987 -1.523) 3.963 6.739 ( 3.028 4.249 -0.514) 5.243 7.059 ( -0.789 1.215 -1.738) 2.263 8.323 ( -2.488 -1.689 -11.073) 11.474 8.420 ( 4.330 -0.578 -9.454) 10.414 8.539 ( -0.440 -2.164 -0.369) 2.239 9.388 ( -0.890 -0.537 -10.497) 10.549 9.990 ( -1.933 6.564 -7.712) 10.310 10.660 ( -4.846 -0.673 6.235) 7.925 11.050 ( 2.823 8.354 5.226) 10.251 12.733 ( -0.253 -1.614 1.314) 2.097 14.218 ( 3.117 13.218 -3.220) 13.957 17.610 ( 7.382 1.336 4.424) 8.709 17.945 ( -9.515 8.361 0.605) 12.681 20.267 ( 1.116 -19.128 -14.762) 24.188 ======================= Grid point 142 (94/156) ======================= q-point: ( 0.31 -0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 0.090 16.116 2.074) 16.249 2.213 ( 3.125 14.949 9.045) 17.749 2.821 ( -0.586 4.536 9.882) 10.890 3.732 ( -10.382 -6.362 19.992) 23.409 3.868 ( -11.867 -0.549 13.109) 17.691 4.692 ( 8.319 1.758 -0.028) 8.503 4.784 ( 11.232 -10.336 4.831) 16.011 5.049 ( 1.171 -3.332 5.715) 6.718 5.212 ( -0.075 5.547 2.459) 6.068 5.314 ( 8.138 -9.163 6.601) 13.920 6.007 ( 0.955 -1.456 2.913) 3.394 6.418 ( -6.264 -6.925 -1.576) 9.470 6.743 ( 2.751 2.818 -4.921) 6.303 6.911 ( 2.326 2.002 -1.051) 3.244 7.028 ( -3.444 2.269 1.991) 4.580 8.241 ( -2.103 -1.493 -10.069) 10.394 8.486 ( 3.850 -2.111 -11.257) 12.083 8.514 ( -0.191 0.583 -0.051) 0.616 9.377 ( 0.804 -0.531 -9.219) 9.270 10.140 ( 1.280 8.130 -8.702) 11.978 10.684 ( 2.888 5.535 5.503) 8.323 11.143 ( -1.883 -0.415 4.526) 4.919 12.764 ( 4.316 0.126 1.180) 4.476 14.517 ( -13.270 23.153 -5.047) 27.160 17.780 ( -1.202 -1.083 7.274) 7.452 18.042 ( 12.571 8.990 -2.535) 15.661 19.830 ( -0.401 -23.751 -12.735) 26.953 ======================= Grid point 143 (95/156) ======================= q-point: ( 0.31 -0.12 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 1.212 7.956 -1.053) 8.117 2.498 ( 0.812 0.145 -1.244) 1.493 2.765 ( -6.467 4.759 12.409) 14.780 3.535 ( -5.424 4.699 26.403) 27.361 3.702 ( -9.254 7.369 12.360) 17.109 4.684 ( 5.190 -15.402 10.880) 19.559 4.792 ( 0.577 5.202 -1.650) 5.488 5.005 ( 3.438 -9.123 4.137) 10.590 5.288 ( 5.209 -2.558 7.692) 9.636 5.402 ( 8.171 -5.656 5.497) 11.357 6.097 ( -1.506 -7.751 -1.948) 8.133 6.241 ( 4.848 11.408 -1.068) 12.441 6.754 ( -1.484 -3.848 -4.912) 6.413 6.872 ( -0.268 -2.797 -2.025) 3.463 7.065 ( -3.676 4.876 3.521) 7.049 8.207 ( 0.298 0.665 -9.572) 9.600 8.463 ( 1.475 -5.199 -12.039) 13.196 8.532 ( -0.257 0.878 -0.060) 0.916 9.399 ( 1.595 -0.158 -9.225) 9.363 10.284 ( -0.837 3.555 -7.897) 8.701 10.839 ( -3.680 2.764 6.993) 8.372 11.093 ( 3.033 0.531 1.799) 3.566 12.824 ( 3.548 -3.747 1.210) 5.300 14.566 ( -27.098 22.951 -5.251) 35.897 17.656 ( -3.509 -3.218 9.106) 10.276 18.544 ( 11.985 3.304 -5.442) 13.571 19.426 ( 9.911 -17.050 -10.847) 22.507 ======================= Grid point 145 (96/156) ======================= q-point: ( 0.31 -0.12 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -13.836 -6.619 5.812) 16.402 2.288 ( -9.617 -3.503 0.795) 10.266 2.774 ( -6.790 1.854 12.732) 14.548 3.674 ( -0.374 12.771 6.464) 14.319 3.907 ( 5.559 16.093 21.339) 27.299 4.497 ( 7.215 -14.194 20.433) 25.904 4.723 ( -8.421 -7.116 1.607) 11.142 4.969 ( 4.415 2.475 -1.763) 5.360 5.288 ( 3.110 -3.787 3.700) 6.141 5.470 ( 11.529 -8.563 3.492) 14.779 5.980 ( 2.632 -1.304 0.558) 2.990 6.571 ( 1.523 1.390 -0.732) 2.188 6.661 ( -1.750 6.471 -5.164) 8.462 6.781 ( -3.070 -3.810 -2.819) 5.647 7.059 ( -2.044 1.599 3.376) 4.258 8.289 ( 2.548 3.957 -8.578) 9.784 8.375 ( 0.487 -4.471 -12.015) 12.829 8.528 ( -0.695 0.142 -0.251) 0.753 9.408 ( 0.754 -1.491 -10.076) 10.214 10.205 ( -6.975 -2.896 -8.501) 11.371 10.733 ( -0.968 -3.675 6.828) 7.814 11.157 ( -2.801 0.892 3.251) 4.383 12.764 ( 0.279 -4.240 1.394) 4.472 14.416 ( -24.962 15.670 -5.745) 30.028 17.564 ( -1.395 -0.228 8.946) 9.057 18.367 ( -7.918 -14.050 -3.496) 16.502 19.756 ( 25.515 2.724 -12.683) 28.623 ======================= Grid point 149 (97/156) ======================= q-point: (-0.42 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -1.841 -0.587 -6.937) 7.201 2.231 ( 2.336 -7.364 -6.128) 9.861 3.290 ( -0.168 -1.827 0.017) 1.835 4.206 ( -3.226 11.562 2.414) 12.244 4.567 ( 1.141 -0.397 -3.503) 3.706 5.027 ( 3.389 -2.322 2.824) 4.985 5.270 ( -1.411 3.319 4.045) 5.420 5.516 ( 0.411 -0.139 12.590) 12.598 5.625 ( -0.624 -1.021 6.394) 6.505 5.933 ( 1.384 -5.434 1.772) 5.881 6.112 ( 2.371 6.076 9.759) 11.738 6.285 ( -2.543 -1.080 -1.969) 3.392 6.639 ( -6.355 5.946 9.257) 12.705 6.717 ( 1.047 -0.872 -7.165) 7.293 7.164 ( 5.589 -7.035 7.774) 11.881 7.446 ( -4.168 -1.303 -12.782) 13.507 7.526 ( 3.424 -4.189 -11.246) 12.480 8.555 ( -0.014 1.528 0.477) 1.601 8.849 ( 0.173 1.654 -4.008) 4.339 9.773 ( -1.087 8.631 -5.583) 10.336 10.994 ( 0.360 1.365 0.316) 1.447 11.234 ( -0.530 -6.131 -2.323) 6.578 12.827 ( 0.060 1.064 2.565) 2.778 14.539 ( 0.610 22.374 -12.582) 25.676 17.871 ( -1.396 0.585 -4.340) 4.596 18.404 ( 1.084 -17.941 -12.807) 22.070 18.806 ( -0.035 5.291 21.975) 22.603 ======================= Grid point 150 (98/156) ======================= q-point: (-0.42 -0.13 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 3.467 -0.373 -8.992) 9.645 2.128 ( 3.146 -6.703 -8.840) 11.532 3.262 ( 0.755 -0.606 -0.919) 1.335 4.320 ( -8.243 11.717 1.023) 14.362 4.625 ( -0.255 -1.594 -4.346) 4.636 4.945 ( 1.155 -3.178 6.131) 7.002 5.322 ( -2.246 2.740 3.955) 5.310 5.520 ( -0.887 0.385 11.402) 11.443 5.616 ( 1.538 -0.875 9.105) 9.276 5.866 ( 5.605 -6.568 5.721) 10.358 6.206 ( -5.051 0.524 3.354) 6.086 6.271 ( 2.030 2.623 1.050) 3.479 6.636 ( -4.091 5.670 1.515) 7.154 6.825 ( 4.196 2.564 7.487) 8.958 7.019 ( -0.978 -7.158 -0.468) 7.240 7.395 ( 1.343 0.275 -10.248) 10.339 7.516 ( 4.030 -5.507 -12.185) 13.965 8.573 ( -0.950 0.959 0.965) 1.659 8.868 ( -0.716 0.621 -3.739) 3.857 9.897 ( -3.953 4.709 -6.038) 8.618 11.052 ( -0.303 -0.925 -3.917) 4.036 11.124 ( 3.171 -1.895 -1.649) 4.046 12.845 ( 0.574 -0.620 4.026) 4.113 14.804 ( -16.768 16.351 -16.100) 28.420 17.929 ( 3.680 -1.199 -5.988) 7.130 18.146 ( 9.461 -11.735 -10.811) 18.550 18.865 ( -2.770 2.827 24.414) 24.733 ======================= Grid point 153 (99/156) ======================= q-point: ( 0.58 -0.13 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -2.316 10.506 6.503) 12.571 2.362 ( -6.847 4.165 0.597) 8.036 3.230 ( -0.362 -2.734 3.570) 4.511 3.758 ( 6.169 -12.698 -0.378) 14.122 4.610 ( 1.324 -3.159 -0.329) 3.441 5.114 ( -5.103 6.502 2.109) 8.530 5.258 ( 2.752 2.551 0.577) 3.797 5.594 ( 0.780 -0.555 2.365) 2.551 5.674 ( 0.211 2.210 3.184) 3.881 6.015 ( -4.525 2.543 23.050) 23.627 6.224 ( 0.424 2.147 -2.284) 3.163 6.262 ( -2.348 -1.572 -0.231) 2.835 6.430 ( 8.127 1.759 0.981) 8.373 6.892 ( 0.397 -2.518 -7.568) 7.986 7.168 ( -2.416 -4.680 -11.094) 12.281 7.441 ( -1.753 0.721 3.632) 4.097 7.601 ( 0.636 2.326 -10.255) 10.535 8.481 ( 0.959 -2.156 0.230) 2.371 8.930 ( -1.311 4.459 -3.550) 5.848 9.833 ( -1.019 7.212 -0.647) 7.312 11.115 ( -2.151 7.562 4.382) 9.001 11.339 ( -1.278 -0.142 -0.555) 1.400 12.849 ( 0.245 0.418 1.026) 1.134 13.918 ( 2.119 -6.633 0.191) 6.965 18.111 ( -1.826 11.490 1.380) 11.715 18.406 ( -8.650 0.373 16.238) 18.402 19.002 ( 8.663 -4.605 -21.433) 23.572 ======================= Grid point 154 (100/156) ======================= q-point: ( 0.58 -0.13 -0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -9.733 5.664 -0.549) 11.274 2.376 ( -2.449 3.755 4.101) 6.075 3.218 ( 2.588 0.582 3.894) 4.711 3.719 ( 10.063 -5.802 1.686) 11.738 4.598 ( 1.682 -0.250 -0.451) 1.759 5.127 ( -2.255 0.837 5.168) 5.701 5.284 ( -3.310 -0.120 -3.935) 5.144 5.572 ( -0.345 -1.491 7.336) 7.494 5.700 ( -0.768 0.215 -0.174) 0.817 5.994 ( -2.652 2.091 19.610) 19.899 6.151 ( -3.941 -2.455 3.315) 5.705 6.269 ( -1.100 3.862 -4.750) 6.220 6.627 ( 8.465 -3.403 8.497) 12.467 6.824 ( -0.962 1.628 -20.777) 20.863 7.016 ( -4.303 -1.531 0.986) 4.672 7.463 ( 0.776 0.600 3.120) 3.271 7.653 ( 0.856 0.064 -12.072) 12.102 8.480 ( 2.097 -0.882 0.207) 2.284 8.939 ( -3.807 0.920 -3.699) 5.387 9.831 ( -7.644 2.261 -1.881) 8.191 11.181 ( -5.499 1.253 1.486) 5.833 11.293 ( -1.106 2.733 0.509) 2.992 12.850 ( -0.137 -0.503 1.197) 1.305 13.894 ( 5.456 -2.905 2.546) 6.686 18.114 ( -10.837 2.866 0.359) 11.216 18.439 ( 0.230 9.514 15.747) 18.400 18.975 ( 3.826 -10.225 -20.907) 23.586 ======================= Grid point 156 (101/156) ======================= q-point: (-0.14 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -0.000 0.000 -18.925) 18.925 1.107 ( -0.000 0.000 -18.925) 18.925 2.432 ( -0.000 0.000 -29.381) 29.381 4.310 ( -0.000 0.000 -2.483) 2.483 4.310 ( -0.000 0.000 -2.483) 2.483 5.147 ( 0.000 -0.000 0.228) 0.228 5.335 ( 0.000 -0.000 1.841) 1.841 5.476 ( -0.000 0.000 -13.892) 13.892 5.476 ( -0.000 0.000 -13.892) 13.892 5.484 ( -0.000 0.000 -13.279) 13.279 6.351 ( 0.000 -0.000 8.392) 8.392 6.384 ( -0.000 0.000 -5.705) 5.705 6.535 ( 0.000 -0.000 4.405) 4.405 6.682 ( -0.000 0.000 -2.022) 2.022 6.682 ( -0.000 0.000 -2.022) 2.022 8.117 ( 0.000 -0.000 17.396) 17.396 8.117 ( 0.000 -0.000 17.396) 17.396 8.729 ( 0.000 -0.000 2.361) 2.361 9.213 ( 0.000 -0.000 10.998) 10.998 9.868 ( -0.000 0.000 -0.634) 0.634 10.631 ( -0.000 0.000 -7.879) 7.879 10.631 ( -0.000 0.000 -7.879) 7.879 13.078 ( -0.000 0.000 -0.444) 0.444 14.225 ( -0.000 0.000 -9.275) 9.275 17.579 ( -0.000 0.000 -3.169) 3.169 17.579 ( -0.000 0.000 -3.169) 3.169 20.437 ( 0.000 -0.000 22.552) 22.552 ======================= Grid point 158 (102/156) ======================= q-point: (-0.14 -0.14 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 18.203 6.502 -9.952) 21.741 2.016 ( 10.807 11.772 -7.568) 17.682 2.823 ( 3.168 4.998 -15.335) 16.437 3.835 ( -12.245 -6.235 -2.810) 14.025 4.522 ( -8.086 -9.545 -34.140) 36.360 4.581 ( 3.948 5.865 -0.729) 7.107 5.037 ( -2.301 -2.378 0.510) 3.348 5.257 ( -1.736 1.776 -8.331) 8.693 5.374 ( 2.371 -2.935 -1.622) 4.107 5.859 ( 4.572 -2.766 -1.166) 5.469 6.158 ( -4.000 -0.711 -1.122) 4.215 6.289 ( 1.380 3.429 -1.648) 4.047 6.660 ( -6.044 -1.595 3.556) 7.192 6.792 ( 3.326 6.405 0.479) 7.233 6.982 ( 4.081 0.584 -6.090) 7.354 8.096 ( -1.335 -2.621 14.206) 14.507 8.142 ( 0.304 2.796 17.945) 18.164 8.512 ( -2.646 -2.809 0.145) 3.862 9.235 ( 1.884 0.921 11.135) 11.330 9.909 ( 5.143 3.853 5.217) 8.277 10.847 ( 8.400 0.438 -7.026) 10.960 11.168 ( 2.994 7.685 -4.480) 9.385 12.784 ( -1.314 -1.286 -2.543) 3.138 13.924 ( -6.459 -2.551 -0.665) 6.976 17.771 ( 0.503 5.070 -9.462) 10.746 18.032 ( 14.285 6.966 1.878) 16.003 20.032 ( -9.930 -8.661 20.384) 24.272 ======================= Grid point 159 (103/156) ======================= q-point: (-0.14 -0.14 0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 10.814 3.134 -5.459) 12.512 2.429 ( 8.627 9.052 -3.104) 12.884 2.845 ( -2.933 -1.142 -11.206) 11.640 3.448 ( -9.591 -6.606 -2.943) 12.012 4.253 ( -3.739 -2.253 -38.890) 39.134 4.636 ( -0.976 -3.053 1.896) 3.724 5.165 ( 1.977 7.847 -3.076) 8.658 5.295 ( -0.193 1.008 -13.798) 13.837 5.424 ( 7.088 1.444 -1.397) 7.368 5.809 ( -1.991 -4.390 0.901) 4.904 6.146 ( 1.681 2.191 2.008) 3.415 6.368 ( 2.232 -7.061 0.005) 7.405 6.473 ( -7.542 4.624 1.303) 8.942 6.919 ( 0.201 2.375 -5.154) 5.678 7.042 ( 1.844 -0.174 -1.289) 2.256 8.021 ( -0.841 -1.608 13.249) 13.373 8.216 ( 0.581 2.285 20.015) 20.154 8.447 ( -0.509 -0.602 0.075) 0.792 9.265 ( 0.258 -0.095 9.037) 9.042 10.120 ( 4.877 3.241 5.963) 8.358 10.982 ( 2.696 0.488 -8.595) 9.021 11.287 ( 1.561 1.225 -3.138) 3.713 12.813 ( 0.948 1.608 -0.643) 1.974 13.793 ( -3.040 -0.379 -0.645) 3.130 17.851 ( 0.105 1.963 -11.567) 11.733 18.471 ( 11.197 6.465 5.865) 14.198 19.646 ( -8.851 -6.926 17.679) 20.949 ======================= Grid point 163 (104/156) ======================= q-point: ( 0.14 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -1.589 21.922 0.000) 21.979 1.167 ( -17.573 27.310 0.000) 32.476 1.673 ( 9.711 34.604 0.000) 35.941 4.061 ( -11.957 -15.729 -0.000) 19.758 4.222 ( 1.340 -10.701 -0.000) 10.784 4.418 ( 0.948 -0.138 -0.000) 0.958 4.479 ( 20.804 -10.425 -0.000) 23.270 5.294 ( 4.583 -4.088 -0.000) 6.141 5.410 ( -6.262 -4.087 0.000) 7.477 5.467 ( -10.854 0.869 0.000) 10.888 6.161 ( 3.412 13.893 0.000) 14.306 6.242 ( -4.384 -11.180 -0.000) 12.009 6.629 ( 7.140 2.034 -0.000) 7.424 6.713 ( -0.694 0.586 0.000) 0.908 7.084 ( -1.604 5.082 0.000) 5.329 8.596 ( -0.802 -6.359 -0.000) 6.409 8.610 ( -3.207 -1.754 0.000) 3.655 8.629 ( 4.732 -0.766 -0.000) 4.793 9.619 ( -0.502 -0.036 0.000) 0.503 9.999 ( -1.348 7.095 0.000) 7.222 10.521 ( -6.134 2.188 0.000) 6.513 10.734 ( 5.320 10.590 0.000) 11.851 12.763 ( 0.061 -4.721 -0.000) 4.721 14.082 ( 0.822 4.573 0.000) 4.646 17.573 ( 9.470 -1.544 -0.000) 9.595 17.747 ( -9.708 9.052 0.000) 13.273 20.903 ( 0.379 -12.958 -0.000) 12.963 ======================= Grid point 164 (105/156) ======================= q-point: ( 0.14 -0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 7.508 23.235 0.000) 24.418 1.511 ( -0.347 24.623 0.000) 24.625 2.413 ( 9.085 17.043 0.000) 19.313 3.397 ( -19.412 -14.634 0.000) 24.310 3.905 ( -10.599 -8.394 0.000) 13.521 4.609 ( 6.871 7.270 0.000) 10.003 4.845 ( 25.013 -4.722 -0.000) 25.455 5.147 ( -6.496 -4.058 0.000) 7.659 5.161 ( -4.706 -12.491 -0.000) 13.348 5.333 ( 8.661 -6.415 -0.000) 10.778 5.994 ( -2.567 -4.273 -0.000) 4.985 6.498 ( -3.374 17.071 0.000) 17.401 6.613 ( -2.010 -6.822 -0.000) 7.112 6.865 ( 7.145 3.247 -0.000) 7.849 7.084 ( -4.153 0.519 0.000) 4.185 8.476 ( -1.872 -1.086 0.000) 2.164 8.497 ( -3.400 -2.228 0.000) 4.065 8.742 ( 5.991 0.254 -0.000) 5.996 9.598 ( -0.100 -1.424 -0.000) 1.427 10.156 ( 1.746 8.151 0.000) 8.336 10.493 ( 1.811 1.222 -0.000) 2.185 10.998 ( 3.238 3.538 0.000) 4.796 12.722 ( 1.725 1.121 -0.000) 2.057 14.211 ( -9.388 13.998 0.000) 16.855 17.676 ( -4.712 1.300 0.000) 4.888 17.910 ( 16.322 7.283 -0.000) 17.874 20.543 ( -3.500 -19.061 -0.000) 19.379 ======================= Grid point 165 (106/156) ======================= q-point: ( 0.14 -0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 12.145 23.706 0.000) 26.636 2.034 ( 6.444 16.770 0.000) 17.966 2.726 ( -20.856 -11.804 0.000) 23.964 2.732 ( 4.444 2.164 -0.000) 4.943 3.538 ( -13.848 -1.292 0.000) 13.909 4.750 ( -1.022 2.547 0.000) 2.744 4.768 ( -4.349 -13.272 -0.000) 13.966 5.119 ( -2.013 2.969 0.000) 3.587 5.262 ( 26.412 -9.985 -0.000) 28.236 5.362 ( 9.822 -9.504 -0.000) 13.667 6.051 ( 7.139 7.553 0.000) 10.393 6.364 ( -4.114 -10.139 -0.000) 10.942 6.671 ( -10.752 13.855 0.000) 17.538 6.949 ( -6.645 -1.431 0.000) 6.798 7.024 ( 6.450 -2.247 -0.000) 6.831 8.407 ( -1.919 -0.893 0.000) 2.117 8.478 ( -0.695 2.520 0.000) 2.614 8.820 ( 3.899 -3.736 -0.000) 5.400 9.585 ( 0.873 0.243 -0.000) 0.906 10.353 ( 1.599 6.033 0.000) 6.242 10.603 ( 1.671 2.513 0.000) 3.018 11.050 ( 3.620 -1.245 -0.000) 3.828 12.834 ( 3.449 1.292 -0.000) 3.683 14.211 ( -21.785 18.111 0.000) 28.330 17.564 ( -4.070 -2.656 0.000) 4.860 18.515 ( 21.145 9.403 -0.000) 23.142 20.054 ( -2.139 -20.197 -0.000) 20.310 ======================= Grid point 166 (107/156) ======================= q-point: ( 0.14 -0.14 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -22.496 -11.113 0.000) 25.091 2.240 ( -9.181 3.657 0.000) 9.882 2.689 ( -3.122 -8.575 -0.000) 9.126 2.742 ( 13.079 26.517 0.000) 29.567 3.456 ( -1.620 11.858 0.000) 11.968 4.445 ( 4.498 -18.255 -0.000) 18.801 4.795 ( -4.782 1.102 0.000) 4.908 5.000 ( -1.611 -2.686 -0.000) 3.132 5.375 ( 8.716 -6.678 -0.000) 10.980 5.512 ( 18.870 -10.746 -0.000) 21.715 6.122 ( -0.576 -7.162 -0.000) 7.185 6.474 ( 9.751 10.199 0.000) 14.110 6.626 ( -17.059 9.901 0.000) 19.724 6.790 ( -5.273 -0.577 0.000) 5.304 7.054 ( 3.832 -4.358 -0.000) 5.803 8.399 ( 0.466 1.774 0.000) 1.835 8.500 ( -1.684 1.661 0.000) 2.365 8.755 ( 1.613 -6.855 -0.000) 7.042 9.628 ( 0.981 0.970 -0.000) 1.379 10.398 ( -4.202 0.368 0.000) 4.218 10.610 ( -0.056 -1.088 -0.000) 1.089 11.102 ( 0.903 -1.966 -0.000) 2.164 12.828 ( -1.514 -3.502 -0.000) 3.815 14.143 ( -20.515 18.917 0.000) 27.906 17.439 ( -0.576 -4.157 -0.000) 4.197 18.722 ( -5.985 -9.776 -0.000) 11.463 19.981 ( 20.346 -0.549 -0.000) 20.354 ======================= Grid point 167 (108/156) ======================= q-point: ( 0.14 -0.14 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -24.106 -9.270 0.000) 25.827 1.900 ( -22.563 -3.379 0.000) 22.814 2.262 ( -19.012 -10.436 0.000) 21.688 3.568 ( 12.625 28.042 0.000) 30.753 3.833 ( 9.803 12.759 0.000) 16.090 4.239 ( 12.618 -18.276 -0.000) 22.209 4.535 ( -6.259 -6.155 0.000) 8.778 5.113 ( 4.198 4.555 0.000) 6.194 5.431 ( 7.243 -5.687 -0.000) 9.209 5.591 ( 11.421 -11.866 -0.000) 16.469 6.088 ( 6.165 -1.261 -0.000) 6.293 6.412 ( -19.984 6.971 0.000) 21.165 6.604 ( -0.529 -1.356 -0.000) 1.455 6.774 ( -2.329 0.821 0.000) 2.470 7.092 ( 2.679 1.799 -0.000) 3.227 8.493 ( 1.962 4.633 0.000) 5.032 8.509 ( 0.959 1.185 0.000) 1.525 8.659 ( 1.456 -5.081 -0.000) 5.285 9.638 ( 0.118 -0.944 -0.000) 0.952 10.223 ( -8.618 -3.281 0.000) 9.221 10.604 ( 2.280 -2.655 -0.000) 3.500 10.946 ( -8.452 -4.277 0.000) 9.472 12.723 ( -1.170 -1.365 -0.000) 1.798 14.135 ( -12.131 11.384 0.000) 16.636 17.416 ( 2.065 1.211 -0.000) 2.394 18.218 ( -12.762 -14.309 -0.000) 19.174 20.505 ( 20.720 4.684 -0.000) 21.243 ======================= Grid point 170 (109/156) ======================= q-point: ( 0.42 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -5.770 11.130 0.977) 12.575 2.295 ( 0.468 7.947 3.158) 8.564 3.056 ( 0.080 4.657 11.431) 12.343 3.913 ( 2.987 0.311 3.457) 4.579 4.542 ( 4.587 -1.158 12.832) 13.676 4.709 ( -9.233 1.813 20.539) 22.592 4.813 ( 3.564 -7.529 18.310) 20.115 5.026 ( 5.207 -2.167 1.736) 5.901 5.254 ( -1.765 7.086 1.948) 7.558 5.464 ( -3.562 -8.683 8.351) 12.562 6.037 ( 2.648 -5.307 2.415) 6.404 6.490 ( -3.750 -2.859 -2.591) 5.381 6.612 ( -2.782 2.487 -5.859) 6.946 6.776 ( 8.129 -1.276 -0.708) 8.259 7.126 ( -1.004 3.201 2.549) 4.214 8.041 ( -1.978 -0.733 -15.119) 15.265 8.157 ( 3.470 -3.093 -13.764) 14.527 8.526 ( -0.274 0.478 0.141) 0.569 9.167 ( -0.518 0.511 -11.530) 11.553 9.952 ( -2.097 7.886 -10.607) 13.382 10.792 ( -2.198 1.859 6.485) 7.095 11.247 ( 0.309 1.920 3.682) 4.164 12.747 ( -0.159 -0.492 1.734) 1.809 14.477 ( 3.420 23.229 -8.361) 24.924 17.797 ( 5.172 4.647 7.611) 10.308 18.098 ( -8.792 4.161 2.988) 10.176 19.518 ( 2.107 -23.332 -17.110) 29.009 ======================= Grid point 171 (110/156) ======================= q-point: ( 0.42 -0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -0.201 7.911 -2.482) 8.294 2.432 ( 2.597 0.501 -1.490) 3.036 3.080 ( -3.647 2.972 8.782) 9.963 3.927 ( -7.421 7.360 6.179) 12.141 4.427 ( -8.471 0.304 33.569) 34.622 4.712 ( 5.159 -1.396 2.854) 6.059 4.750 ( 2.409 -3.702 6.740) 8.058 5.160 ( 8.456 -2.400 10.667) 13.822 5.212 ( 2.631 -10.898 9.217) 14.514 5.533 ( 0.708 9.463 9.122) 13.163 6.005 ( 4.213 -3.056 -0.742) 5.257 6.299 ( -6.317 -0.841 0.566) 6.398 6.615 ( 1.049 -1.754 -6.715) 7.019 6.825 ( 3.430 -5.806 -0.139) 6.745 7.166 ( -2.089 3.837 -0.050) 4.369 7.982 ( -1.091 -0.742 -14.043) 14.105 8.153 ( 2.858 -4.240 -14.821) 15.679 8.537 ( 0.118 0.624 0.326) 0.714 9.180 ( 0.661 0.154 -10.475) 10.497 10.112 ( -0.557 7.940 -10.623) 13.274 10.934 ( 3.676 8.786 3.919) 10.299 11.178 ( -5.337 -3.079 2.546) 6.666 12.768 ( 4.229 -2.667 2.137) 5.437 14.884 ( -17.052 26.925 -10.676) 33.611 17.962 ( -5.570 -0.832 12.349) 13.572 18.144 ( 14.633 7.321 -2.658) 16.576 19.070 ( 3.659 -24.735 -13.616) 28.471 ======================= Grid point 172 (111/156) ======================= q-point: ( 0.42 -0.15 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -0.985 1.773 -1.525) 2.537 2.358 ( -2.827 -4.787 -4.073) 6.892 3.088 ( -2.933 3.713 8.997) 10.165 3.915 ( -9.896 8.382 6.954) 14.715 4.396 ( -1.343 6.758 29.228) 30.029 4.677 ( 4.528 -4.699 8.834) 10.983 4.875 ( 2.426 4.560 0.903) 5.243 4.973 ( 1.950 -12.954 17.258) 21.667 5.339 ( 10.827 -4.346 7.038) 13.625 5.503 ( -9.452 -0.635 10.066) 13.823 5.947 ( 1.546 -3.608 -0.547) 3.964 6.479 ( 5.776 12.367 -0.002) 13.649 6.561 ( 0.678 -5.103 -4.481) 6.825 6.728 ( -0.006 -5.833 -2.713) 6.433 7.178 ( -2.760 1.825 -0.128) 3.311 8.011 ( 2.424 2.470 -14.464) 14.873 8.100 ( 1.027 -4.158 -14.050) 14.688 8.542 ( -0.327 -0.106 0.218) 0.407 9.187 ( 0.304 -0.680 -10.929) 10.954 10.143 ( -5.753 0.364 -10.511) 11.988 10.942 ( -6.891 -3.670 5.054) 9.300 11.195 ( 2.945 5.180 1.167) 6.072 12.767 ( 2.753 -4.283 2.276) 5.577 14.835 ( -30.124 17.160 -10.576) 36.246 17.842 ( -4.179 -0.413 12.845) 13.514 18.380 ( -0.621 -9.165 -3.377) 9.787 18.979 ( 24.397 -3.025 -13.312) 27.957 ======================= Grid point 177 (112/156) ======================= q-point: (-0.30 -0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 0.558 -3.471 -12.896) 13.367 1.866 ( -0.206 -9.319 -12.455) 15.557 3.168 ( -0.036 -2.634 -7.825) 8.256 4.415 ( -3.301 8.103 -3.854) 9.560 4.487 ( 2.587 1.082 -5.609) 6.271 5.072 ( 0.865 -2.289 8.279) 8.633 5.291 ( -0.109 1.453 -5.946) 6.121 5.691 ( -0.459 3.493 1.782) 3.948 5.736 ( 0.886 0.444 2.235) 2.445 5.956 ( -0.632 -3.216 10.331) 10.839 6.062 ( 0.336 2.904 -12.398) 12.738 6.389 ( -1.529 3.968 2.119) 4.751 6.564 ( 1.470 3.072 -8.012) 8.706 6.926 ( 3.542 -0.378 -0.811) 3.654 7.019 ( -5.303 -8.002 -8.003) 12.498 7.382 ( -1.790 -0.965 11.357) 11.538 7.409 ( 3.285 -3.417 15.239) 15.959 8.613 ( 0.022 2.101 1.650) 2.671 8.873 ( 0.061 1.154 3.425) 3.614 9.857 ( -0.225 6.444 -2.716) 6.997 10.946 ( 1.663 -0.957 -5.558) 5.880 11.009 ( -1.548 -6.636 -6.236) 9.237 12.932 ( 0.032 2.410 4.369) 4.990 14.647 ( -0.082 14.454 -16.533) 21.961 17.765 ( -0.224 -0.913 -5.444) 5.524 17.881 ( 0.302 -11.325 -8.045) 13.895 19.400 ( -0.037 4.185 26.755) 27.080 ======================= Grid point 181 (113/156) ======================= q-point: (-0.30 -0.16 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -7.020 1.841 -3.032) 7.866 2.473 ( 0.183 3.988 2.933) 4.954 3.187 ( 1.463 -1.535 -3.246) 3.877 3.529 ( 6.655 -6.009 -1.592) 9.107 4.551 ( 1.676 -1.938 0.839) 2.696 5.196 ( -1.003 2.929 -8.350) 8.906 5.304 ( -3.166 1.124 1.631) 3.734 5.578 ( -0.318 1.187 -2.029) 2.372 5.709 ( -1.243 0.537 -1.388) 1.939 6.174 ( 0.682 2.482 -7.197) 7.643 6.197 ( 3.358 7.726 -19.376) 21.128 6.274 ( -5.165 -6.171 -4.979) 9.463 6.352 ( -1.029 -4.878 2.292) 5.487 6.858 ( 1.159 -0.590 24.659) 24.693 7.107 ( 1.055 3.462 -1.769) 4.029 7.461 ( 0.586 -0.344 -3.009) 3.084 7.629 ( -0.810 -0.598 11.554) 11.598 8.449 ( 1.291 -1.321 0.294) 1.871 8.990 ( -1.866 1.928 2.604) 3.739 9.956 ( -3.010 2.411 2.426) 4.557 11.272 ( -1.433 0.137 -4.787) 4.999 11.306 ( -2.933 3.537 1.323) 4.781 12.850 ( 1.566 -1.352 0.438) 2.115 13.836 ( 3.294 -2.509 0.375) 4.158 18.297 ( -5.621 5.387 -1.260) 7.887 18.529 ( 3.597 -5.875 -15.120) 16.615 18.793 ( -1.749 3.922 19.215) 19.689 ======================= Grid point 193 (114/156) ======================= q-point: ( 0.26 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -2.116 20.523 16.184) 26.222 1.727 ( -12.735 22.586 4.984) 26.404 2.317 ( 5.634 20.720 7.827) 22.854 3.881 ( -15.229 -11.379 10.155) 21.553 3.990 ( 5.120 -8.173 -0.867) 9.683 4.322 ( 19.085 -8.459 6.223) 21.783 4.523 ( 6.344 2.671 4.498) 8.223 5.162 ( 2.337 -4.918 -3.373) 6.405 5.276 ( -6.287 -6.941 -0.305) 9.370 5.422 ( -9.163 -8.847 4.579) 13.535 6.057 ( -1.445 -6.539 0.719) 6.735 6.529 ( 0.807 15.188 1.748) 15.309 6.613 ( 2.390 -1.600 -0.318) 2.894 6.761 ( 1.362 4.359 -1.197) 4.721 7.102 ( -0.009 -0.906 -2.063) 2.254 8.477 ( -2.613 -1.721 -4.472) 5.458 8.541 ( 0.286 -1.838 -2.368) 3.011 8.569 ( 3.957 -1.513 -3.733) 5.647 9.552 ( -1.140 -0.729 -6.021) 6.171 10.115 ( -2.115 8.485 -4.868) 10.009 10.561 ( -4.383 -0.797 3.732) 5.812 10.965 ( 2.598 8.614 3.266) 9.572 12.712 ( -0.170 -1.446 0.759) 1.642 14.269 ( 2.618 15.876 -1.928) 16.206 17.550 ( 9.732 -0.999 1.823) 9.951 17.942 ( -11.374 9.479 -0.097) 14.806 20.488 ( 1.112 -20.250 -7.891) 21.761 ======================= Grid point 194 (115/156) ======================= q-point: ( 0.26 -0.17 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 3.508 21.223 6.358) 22.431 2.025 ( -0.477 20.634 6.840) 21.743 2.679 ( 3.181 5.204 4.512) 7.586 3.305 ( -18.260 -8.742 16.422) 26.068 3.795 ( -9.537 -2.492 1.266) 9.938 4.669 ( 24.442 -10.618 1.853) 26.713 4.737 ( 4.643 0.295 0.558) 4.685 4.959 ( -4.458 -8.261 3.368) 9.973 5.168 ( 0.067 4.878 2.239) 5.367 5.215 ( 6.702 -9.155 3.260) 11.805 5.968 ( 1.777 0.376 1.096) 2.122 6.447 ( -5.512 -7.322 -1.305) 9.257 6.810 ( -0.672 8.838 -2.025) 9.092 6.909 ( 2.578 3.787 0.939) 4.676 7.023 ( -2.343 -3.690 -0.984) 4.480 8.394 ( -2.611 -1.237 -5.663) 6.357 8.504 ( -0.769 1.071 0.611) 1.453 8.658 ( 5.835 -2.902 -5.967) 8.836 9.519 ( 0.381 -0.989 -5.194) 5.301 10.281 ( 0.000 9.146 -5.556) 10.702 10.597 ( 2.240 6.447 3.319) 7.589 11.065 ( -1.673 0.345 3.141) 3.576 12.745 ( 4.684 -0.139 0.662) 4.733 14.592 ( -15.107 25.124 -2.578) 29.429 17.679 ( -1.147 -2.754 3.298) 4.447 18.083 ( 13.938 10.212 -1.615) 17.353 20.022 ( -0.584 -25.349 -6.823) 26.258 ======================= Grid point 195 (116/156) ======================= q-point: ( 0.26 -0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -0.353 9.115 -2.229) 9.390 2.510 ( 6.728 15.666 3.615) 17.429 2.560 ( -14.029 -6.303 4.111) 15.920 2.983 ( -3.426 4.935 23.969) 24.710 3.615 ( -10.352 7.034 1.842) 12.651 4.480 ( 2.269 -20.523 8.505) 22.331 4.822 ( 0.741 5.315 -1.309) 5.524 5.000 ( 7.112 -9.573 -2.420) 12.169 5.166 ( 6.867 -4.374 4.986) 9.547 5.288 ( 8.754 -5.222 5.704) 11.680 6.132 ( -0.894 -8.018 -1.473) 8.201 6.270 ( 5.893 11.893 -1.553) 13.364 6.831 ( -2.507 -4.173 -3.102) 5.772 6.908 ( -3.239 1.522 -1.319) 3.814 6.999 ( -2.327 2.852 2.945) 4.714 8.351 ( -0.431 0.704 -5.197) 5.263 8.525 ( -0.461 1.210 0.293) 1.327 8.647 ( 2.798 -6.282 -6.379) 9.380 9.541 ( 2.128 -0.021 -5.207) 5.625 10.413 ( -2.345 4.613 -5.171) 7.316 10.722 ( -5.175 3.181 4.836) 7.765 11.063 ( 2.978 1.811 1.172) 3.678 12.805 ( 3.861 -4.264 0.708) 5.796 14.644 ( -28.773 25.292 -2.762) 38.408 17.524 ( -3.547 -4.471 4.540) 7.293 18.630 ( 12.630 3.393 -3.230) 13.471 19.590 ( 10.739 -17.990 -5.851) 21.753 ======================= Grid point 197 (117/156) ======================= q-point: ( 0.26 -0.17 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -20.911 -7.173 9.847) 24.201 2.272 ( -12.768 -3.462 0.704) 13.248 2.583 ( -7.219 -2.336 6.073) 9.719 3.450 ( 8.461 27.180 11.932) 30.866 3.722 ( 1.733 11.208 1.877) 11.496 4.161 ( 7.595 -19.365 13.015) 24.538 4.709 ( -8.900 -6.367 0.321) 10.947 5.015 ( 4.237 2.942 -2.325) 5.658 5.239 ( 7.914 -4.592 0.442) 9.160 5.389 ( 13.107 -8.744 5.048) 16.545 5.984 ( 2.420 -3.565 -0.711) 4.367 6.587 ( 1.896 0.842 -0.736) 2.202 6.746 ( -6.660 6.131 -3.478) 9.698 6.816 ( -5.890 -0.003 -0.662) 5.927 7.005 ( 2.912 0.433 1.960) 3.537 8.416 ( 1.731 4.192 -4.505) 6.393 8.513 ( -1.385 -0.508 -1.129) 1.858 8.570 ( 1.862 -4.708 -5.123) 7.203 9.565 ( 1.305 -1.436 -5.788) 6.105 10.340 ( -7.695 -1.502 -5.106) 9.356 10.623 ( -1.716 -2.400 4.202) 5.134 11.103 ( -4.064 0.085 2.197) 4.620 12.742 ( 0.618 -4.575 0.841) 4.693 14.506 ( -26.892 17.336 -3.326) 32.168 17.433 ( -0.083 0.265 4.546) 4.554 18.423 ( -8.857 -15.792 -2.151) 18.234 19.947 ( 27.152 2.922 -6.836) 28.151 ======================= Grid point 201 (118/156) ======================= q-point: ( 0.54 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -3.424 3.260 -4.994) 6.877 2.327 ( 2.797 -3.162 -3.843) 5.709 3.245 ( -0.279 0.026 4.401) 4.410 4.127 ( -1.341 10.850 5.440) 12.212 4.621 ( 1.797 0.744 -1.812) 2.658 4.975 ( -0.556 -4.806 4.179) 6.393 5.040 ( 0.447 0.672 18.196) 18.214 5.219 ( 1.188 -1.545 18.997) 19.097 5.455 ( -1.248 -4.951 10.640) 11.802 5.755 ( 0.181 11.970 17.212) 20.966 5.933 ( 2.107 -6.656 0.349) 6.990 6.376 ( -3.772 -1.351 -4.872) 6.308 6.569 ( -5.730 2.365 -0.746) 6.244 6.733 ( 7.549 -4.274 3.302) 9.282 7.149 ( 0.676 -1.531 -3.297) 3.697 7.726 ( -1.489 -0.763 -15.573) 15.663 7.795 ( 2.030 -4.082 -15.198) 15.867 8.546 ( -0.122 0.859 0.464) 0.984 8.981 ( -0.009 1.118 -9.061) 9.130 9.924 ( -1.176 9.400 -9.774) 13.611 10.963 ( -0.571 4.777 2.774) 5.554 11.260 ( -0.073 -3.639 -0.381) 3.660 12.772 ( 0.004 -1.114 2.919) 3.125 14.795 ( 1.517 27.789 -13.479) 30.923 17.949 ( -0.728 3.342 -2.938) 4.509 18.347 ( -3.029 1.822 16.881) 17.247 18.733 ( 2.901 -21.866 -13.277) 25.745 ======================= Grid point 202 (119/156) ======================= q-point: (-0.46 -0.18 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 2.088 2.510 -6.606) 7.369 2.278 ( 0.926 -5.362 -6.704) 8.634 3.237 ( -0.524 0.761 3.252) 3.381 4.252 ( -9.040 11.163 5.730) 15.465 4.687 ( -2.080 -2.612 -1.227) 3.558 4.843 ( 3.227 -0.074 4.428) 5.480 5.040 ( -3.062 2.396 23.738) 24.054 5.274 ( 2.754 -4.637 15.129) 16.062 5.365 ( 5.045 -2.907 15.197) 16.274 5.804 ( 4.470 -5.520 3.871) 8.089 5.978 ( -6.254 4.365 8.740) 11.600 6.367 ( 1.840 3.139 -4.446) 5.745 6.532 ( -0.840 3.381 3.987) 5.295 6.722 ( 1.814 -6.762 3.754) 7.944 7.125 ( 0.177 -0.644 -7.066) 7.098 7.679 ( -0.079 0.618 -16.383) 16.395 7.781 ( 3.175 -4.091 -14.650) 15.538 8.556 ( -0.197 0.287 0.888) 0.954 8.993 ( -0.265 0.286 -8.672) 8.680 10.051 ( -4.510 5.240 -9.636) 11.860 11.109 ( -0.415 1.275 -2.072) 2.469 11.133 ( -0.745 0.256 0.650) 1.022 12.767 ( 2.348 -2.377 3.933) 5.160 15.118 ( -20.699 19.668 -15.941) 32.701 18.036 ( 1.209 -0.469 -3.884) 4.094 18.334 ( 12.723 -6.304 -3.201) 14.555 18.465 ( 0.023 -6.527 10.391) 12.271 ======================= Grid point 208 (120/156) ======================= q-point: (-0.18 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -0.000 0.000 -17.129) 17.129 1.458 ( -0.000 0.000 -17.129) 17.129 2.889 ( -0.000 0.000 -17.955) 17.955 4.389 ( -0.000 0.000 -5.341) 5.341 4.389 ( -0.000 0.000 -5.341) 5.341 5.190 ( -0.000 0.000 -4.462) 4.462 5.229 ( 0.000 -0.000 7.895) 7.895 5.689 ( -0.000 0.000 -7.357) 7.357 5.689 ( -0.000 0.000 -7.357) 7.357 5.805 ( -0.000 0.000 -17.458) 17.458 6.154 ( 0.000 -0.000 11.643) 11.643 6.463 ( -0.000 0.000 -1.850) 1.850 6.496 ( -0.000 0.000 -1.291) 1.291 6.762 ( -0.000 0.000 -6.582) 6.582 6.762 ( -0.000 0.000 -6.582) 6.582 7.745 ( 0.000 -0.000 20.506) 20.506 7.745 ( 0.000 -0.000 20.506) 20.506 8.682 ( 0.000 -0.000 2.441) 2.441 9.012 ( 0.000 -0.000 9.117) 9.117 9.886 ( -0.000 0.000 -1.356) 1.356 10.788 ( -0.000 0.000 -8.090) 8.090 10.788 ( -0.000 0.000 -8.090) 8.090 13.048 ( 0.000 -0.000 3.398) 3.398 14.466 ( -0.000 0.000 -15.455) 15.455 17.653 ( -0.000 0.000 -4.569) 4.569 17.653 ( -0.000 0.000 -4.569) 4.569 19.962 ( 0.000 -0.000 26.121) 26.121 ======================= Grid point 211 (121/156) ======================= q-point: (-0.18 -0.18 0.61) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 8.833 1.931 -5.721) 10.699 2.454 ( 5.265 7.702 0.038) 9.330 3.053 ( -1.717 -0.689 -9.323) 9.504 3.503 ( -8.529 -6.362 -2.513) 10.934 4.579 ( -1.540 -1.307 1.708) 2.646 4.930 ( -2.549 -2.840 -23.964) 24.266 5.275 ( 0.011 2.675 -8.027) 8.461 5.457 ( 5.868 5.494 -5.133) 9.538 5.584 ( 4.142 4.132 -14.709) 15.830 5.797 ( 0.003 -4.852 -0.400) 4.869 6.136 ( -0.870 0.333 -1.444) 1.718 6.349 ( -2.945 -7.464 0.403) 8.034 6.422 ( -1.172 3.770 4.578) 6.045 6.985 ( 2.745 5.404 -2.195) 6.447 7.121 ( -1.987 -2.178 -4.336) 5.243 7.661 ( -0.807 0.296 22.310) 22.327 7.881 ( 0.752 -0.165 14.109) 14.130 8.446 ( -0.725 -0.727 0.067) 1.029 9.100 ( 0.845 0.690 7.449) 7.529 10.013 ( 4.487 3.411 4.797) 7.401 11.137 ( 3.627 1.062 -7.131) 8.070 11.333 ( 0.553 1.180 -1.402) 1.914 12.826 ( 0.170 0.654 -0.701) 0.974 13.808 ( -2.441 -0.402 -0.894) 2.631 18.109 ( 0.920 2.325 -15.048) 15.255 18.370 ( 9.259 5.278 4.322) 11.500 19.278 ( -7.581 -5.831 20.012) 22.180 ======================= Grid point 222 (122/156) ======================= q-point: ( 0.38 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -5.040 15.729 3.902) 16.972 2.214 ( -2.866 13.151 5.119) 14.401 2.806 ( 1.474 7.769 13.219) 15.404 3.848 ( 1.504 -3.073 3.887) 5.178 4.095 ( -7.473 -3.676 22.094) 23.612 4.374 ( 12.714 -7.636 17.006) 22.564 4.670 ( 2.716 3.639 1.411) 4.755 5.014 ( 1.964 -4.682 -0.353) 5.090 5.219 ( -2.182 1.843 2.867) 4.047 5.324 ( -5.654 -9.830 5.414) 12.566 5.986 ( 1.219 -4.497 2.473) 5.275 6.523 ( -4.025 -3.275 -1.210) 5.329 6.719 ( -1.320 3.502 -4.946) 6.202 6.821 ( 6.748 1.263 -2.962) 7.477 7.073 ( -0.671 2.493 2.662) 3.708 8.294 ( -3.125 -1.358 -10.838) 11.361 8.388 ( 5.180 -2.729 -9.810) 11.424 8.523 ( -0.474 0.350 0.118) 0.601 9.379 ( -1.018 -0.473 -9.822) 9.886 10.151 ( -2.078 9.193 -9.535) 13.406 10.672 ( -1.658 3.326 5.659) 6.770 11.170 ( -0.285 3.749 4.088) 5.554 12.714 ( -0.042 -1.068 1.534) 1.869 14.625 ( 3.228 26.867 -6.682) 27.873 17.640 ( 8.205 1.696 7.301) 11.113 18.094 ( -11.581 6.314 -1.180) 13.243 19.811 ( 2.183 -25.990 -12.853) 29.077 ======================= Grid point 223 (123/156) ======================= q-point: ( 0.38 -0.19 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -1.076 11.192 -2.056) 11.430 2.442 ( 2.944 6.494 0.502) 7.147 2.889 ( -4.322 4.075 10.472) 12.039 3.681 ( -9.122 1.406 26.028) 27.616 3.910 ( -10.096 4.776 10.649) 15.433 4.515 ( 12.902 -12.881 10.798) 21.189 4.754 ( 3.085 1.616 -0.858) 3.587 4.949 ( 1.945 -6.214 9.319) 11.369 5.093 ( 6.648 -9.533 4.448) 12.444 5.379 ( -0.074 5.481 6.970) 8.867 6.018 ( 5.804 2.076 -0.682) 6.202 6.304 ( -7.588 -2.384 -0.982) 8.015 6.734 ( 1.612 -3.312 -5.288) 6.445 6.851 ( 2.988 -5.667 -2.189) 6.770 7.148 ( -3.482 6.950 1.746) 7.967 8.219 ( -1.474 -0.582 -10.250) 10.371 8.407 ( 3.881 -4.938 -11.039) 12.701 8.531 ( 0.279 0.356 0.299) 0.542 9.370 ( 0.979 -0.308 -8.695) 8.756 10.311 ( -1.881 8.383 -9.464) 12.782 10.858 ( 1.986 11.169 3.766) 11.953 11.123 ( -5.528 -1.106 2.997) 6.385 12.731 ( 4.807 -3.409 1.649) 6.119 15.063 ( -19.577 29.756 -7.635) 36.427 17.740 ( -3.259 -2.580 9.403) 10.280 18.223 ( 14.486 8.658 -4.121) 17.373 19.305 ( 3.862 -27.783 -10.327) 29.891 ======================= Grid point 224 (124/156) ======================= q-point: ( 0.38 -0.19 -0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -5.437 1.059 -0.742) 5.588 2.424 ( -4.839 -4.054 -2.826) 6.916 2.883 ( -5.384 4.522 11.859) 13.787 3.729 ( -3.111 13.735 19.243) 23.845 3.876 ( -3.594 8.481 14.320) 17.026 4.379 ( 4.718 -14.209 19.316) 24.439 4.797 ( 1.274 -9.452 1.929) 9.731 4.883 ( 3.553 2.929 -0.705) 4.658 5.190 ( 11.697 -5.285 7.812) 15.026 5.352 ( -3.831 -0.589 6.505) 7.572 5.964 ( -1.634 -4.447 -1.178) 4.882 6.488 ( 6.111 10.433 -0.910) 12.126 6.651 ( 1.951 -4.759 -4.354) 6.739 6.797 ( 1.142 -3.968 -3.955) 5.717 7.155 ( -6.125 3.302 2.193) 7.296 8.243 ( 1.798 2.855 -9.666) 10.238 8.353 ( 1.664 -5.082 -11.387) 12.581 8.537 ( 0.122 -0.331 0.272) 0.446 9.386 ( 1.338 -1.014 -9.156) 9.308 10.338 ( -6.315 1.655 -9.207) 11.286 10.840 ( -9.366 -1.574 5.166) 10.812 11.169 ( 1.134 5.011 1.450) 5.339 12.726 ( 3.388 -4.920 1.854) 6.255 15.019 ( -32.836 19.780 -8.144) 39.189 17.610 ( -3.290 -0.384 10.263) 10.784 18.466 ( -1.287 -11.479 -4.564) 12.420 19.210 ( 27.379 -3.182 -10.205) 29.391 ======================= Grid point 229 (125/156) ======================= q-point: (-0.34 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -1.051 -0.994 -10.260) 10.362 2.082 ( 1.195 -6.284 -9.862) 11.755 3.255 ( -0.043 -1.387 -1.560) 2.088 4.454 ( -2.628 12.006 0.677) 12.309 4.589 ( 2.292 2.188 -4.660) 5.635 4.927 ( 0.423 -6.856 6.020) 9.134 5.350 ( -0.115 3.781 3.267) 4.998 5.534 ( 0.293 2.015 13.103) 13.260 5.600 ( -0.390 -1.383 10.877) 10.971 5.791 ( 0.316 -7.983 6.146) 10.080 6.229 ( 1.580 4.333 -1.295) 4.791 6.282 ( -1.606 1.273 4.849) 5.264 6.734 ( 4.323 3.367 -1.116) 5.592 6.758 ( -7.113 4.066 10.248) 13.121 7.001 ( 2.789 -8.386 2.112) 9.087 7.412 ( -2.565 -1.702 -12.922) 13.284 7.438 ( 2.467 -3.948 -12.125) 12.988 8.583 ( -0.003 1.142 1.424) 1.826 8.875 ( 0.022 0.842 -3.565) 3.663 9.944 ( -0.217 7.331 -6.438) 9.759 11.033 ( 0.320 2.043 -3.380) 3.962 11.114 ( -0.326 -5.074 -4.503) 6.792 12.837 ( 0.013 0.114 5.166) 5.167 14.988 ( 0.127 19.412 -18.327) 26.696 17.879 ( -0.986 0.194 -6.271) 6.351 18.051 ( 0.917 -15.150 -9.360) 17.832 18.893 ( -0.017 3.079 25.157) 25.344 ======================= Grid point 233 (126/156) ======================= q-point: ( 0.66 -0.20 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -2.305 7.135 4.028) 8.512 2.439 ( -5.702 2.621 -1.078) 6.368 3.183 ( 0.843 -1.356 3.699) 4.029 3.537 ( 6.447 -7.360 0.768) 9.814 4.551 ( 1.815 -1.773 -0.862) 2.680 5.193 ( -2.723 1.506 7.770) 8.369 5.319 ( -0.177 1.963 -2.905) 3.510 5.584 ( -0.509 -0.350 2.947) 3.011 5.711 ( -0.265 1.053 0.418) 1.163 6.089 ( -7.188 4.839 22.399) 24.017 6.197 ( -0.612 -1.424 4.618) 4.871 6.303 ( -1.873 1.852 -6.899) 7.384 6.415 ( 11.290 -3.580 10.664) 15.937 6.845 ( -0.946 -0.750 -24.591) 24.621 7.111 ( -3.120 -1.365 -0.367) 3.425 7.453 ( -0.029 0.347 4.230) 4.244 7.632 ( 0.849 0.718 -11.682) 11.734 8.445 ( 0.987 -1.005 0.068) 1.410 8.995 ( -1.423 1.536 -3.077) 3.722 9.948 ( -3.319 3.590 -1.610) 5.147 11.250 ( -1.741 4.149 4.395) 6.290 11.334 ( -1.484 -0.181 -1.488) 2.110 12.840 ( 0.504 -0.656 0.641) 1.047 13.825 ( 1.354 -2.132 0.755) 2.636 18.309 ( -6.508 5.720 -1.327) 8.765 18.432 ( -0.875 3.430 17.572) 17.925 18.887 ( 4.845 -6.283 -20.019) 21.534 ======================= Grid point 244 (127/156) ======================= q-point: ( 0.21 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -2.269 24.811 0.000) 24.914 1.684 ( -14.101 23.683 0.000) 27.563 2.247 ( 6.330 21.736 0.000) 22.639 3.780 ( -17.085 -12.165 0.000) 20.973 4.008 ( 2.141 -9.562 -0.000) 9.799 4.246 ( 28.923 -12.266 -0.000) 31.416 4.485 ( 2.668 6.915 0.000) 7.411 5.199 ( 4.697 -5.407 -0.000) 7.163 5.295 ( -7.465 -6.280 0.000) 9.755 5.357 ( -11.332 -10.042 0.000) 15.141 6.053 ( -2.535 -7.489 -0.000) 7.906 6.508 ( 2.317 18.487 0.000) 18.632 6.617 ( 1.658 -2.754 -0.000) 3.214 6.774 ( 1.034 4.410 0.000) 4.529 7.124 ( 0.271 -1.523 -0.000) 1.547 8.510 ( -1.079 -1.878 -0.000) 2.165 8.569 ( -3.473 -2.268 0.000) 4.148 8.611 ( 6.247 -1.097 -0.000) 6.343 9.611 ( -1.269 -0.808 0.000) 1.504 10.165 ( -2.129 9.193 0.000) 9.437 10.524 ( -4.142 -0.827 0.000) 4.224 10.933 ( 2.459 8.505 0.000) 8.854 12.705 ( -0.128 -1.399 -0.000) 1.405 14.288 ( 2.361 16.756 0.000) 16.921 17.533 ( 10.581 -2.011 -0.000) 10.770 17.944 ( -11.982 9.866 0.000) 15.521 20.565 ( 1.107 -20.634 -0.000) 20.664 ======================= Grid point 245 (128/156) ======================= q-point: ( 0.21 -0.21 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 5.386 26.011 0.000) 26.562 1.978 ( -1.969 20.852 0.000) 20.945 2.638 ( 4.834 5.639 0.000) 7.427 3.144 ( -20.850 -10.357 0.000) 23.280 3.784 ( -9.478 -2.984 0.000) 9.937 4.649 ( 29.559 -15.068 -0.000) 33.178 4.734 ( 3.235 4.070 0.000) 5.199 4.925 ( -6.295 -10.002 -0.000) 11.818 5.141 ( 1.404 2.398 0.000) 2.779 5.186 ( 4.156 -6.871 -0.000) 8.030 5.959 ( 2.154 1.026 -0.000) 2.385 6.461 ( -4.984 -7.618 -0.000) 9.103 6.826 ( -4.648 14.963 0.000) 15.668 6.899 ( 5.091 -0.267 -0.000) 5.098 7.037 ( -1.791 -4.935 -0.000) 5.250 8.456 ( -2.895 -1.798 0.000) 3.408 8.492 ( -0.719 1.777 0.000) 1.917 8.716 ( 6.362 -2.983 -0.000) 7.027 9.570 ( 0.230 -1.172 -0.000) 1.194 10.339 ( -0.384 9.624 0.000) 9.632 10.563 ( 1.805 6.621 0.000) 6.862 11.033 ( -1.475 0.608 0.000) 1.595 12.739 ( 4.821 -0.236 -0.000) 4.826 14.616 ( -15.765 25.767 0.000) 30.207 17.648 ( -1.255 -3.337 -0.000) 3.565 18.099 ( 14.539 10.600 -0.000) 17.993 20.089 ( -0.648 -25.899 -0.000) 25.907 ======================= Grid point 246 (129/156) ======================= q-point: ( 0.21 -0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -0.358 10.981 0.000) 10.987 2.407 ( -3.307 8.007 0.000) 8.663 2.604 ( -9.395 11.465 0.000) 14.823 2.697 ( 1.024 -4.766 -0.000) 4.875 3.599 ( -10.302 7.019 0.000) 12.466 4.393 ( 1.389 -22.342 -0.000) 22.386 4.836 ( 0.396 5.468 0.000) 5.483 5.057 ( -1.015 -9.450 -0.000) 9.505 5.093 ( 21.885 -7.698 -0.000) 23.199 5.222 ( 4.076 -2.763 -0.000) 4.925 6.148 ( -0.072 -7.897 -0.000) 7.897 6.288 ( 6.045 11.568 0.000) 13.052 6.867 ( -1.320 -5.904 -0.000) 6.049 6.916 ( -11.569 10.231 0.000) 15.444 6.969 ( 3.659 -3.301 -0.000) 4.928 8.403 ( -0.762 0.650 0.000) 1.001 8.521 ( -0.260 1.276 0.000) 1.302 8.709 ( 3.015 -6.489 -0.000) 7.155 9.592 ( 2.373 0.000 -0.000) 2.373 10.468 ( -3.091 5.075 0.000) 5.942 10.670 ( -5.520 3.272 0.000) 6.417 11.051 ( 2.916 2.243 -0.000) 3.679 12.798 ( 3.957 -4.448 -0.000) 5.953 14.671 ( -29.280 26.135 0.000) 39.248 17.480 ( -3.590 -4.935 -0.000) 6.103 18.662 ( 12.838 3.393 -0.000) 13.279 19.647 ( 11.036 -18.303 -0.000) 21.372 ======================= Grid point 248 (130/156) ======================= q-point: ( 0.21 -0.21 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -24.632 -7.590 0.000) 25.775 2.265 ( -13.826 -3.152 0.000) 14.180 2.529 ( -7.293 -4.541 0.000) 8.591 3.329 ( 11.004 31.383 0.000) 33.256 3.714 ( 1.290 12.112 0.000) 12.181 4.028 ( 7.983 -22.123 -0.000) 23.519 4.706 ( -9.327 -6.168 0.000) 11.182 5.038 ( 3.330 3.413 0.000) 4.768 5.269 ( 7.453 -3.944 -0.000) 8.432 5.303 ( 16.711 -10.131 -0.000) 19.542 5.993 ( 2.646 -4.703 -0.000) 5.396 6.595 ( 1.947 0.481 -0.000) 2.005 6.788 ( -16.792 5.991 0.000) 17.828 6.814 ( -0.475 2.753 0.000) 2.794 6.987 ( 6.523 -1.052 -0.000) 6.607 8.460 ( 1.333 4.351 0.000) 4.551 8.518 ( -1.101 0.084 0.000) 1.105 8.625 ( 1.863 -5.671 -0.000) 5.969 9.622 ( 1.560 -1.443 -0.000) 2.125 10.392 ( -8.078 -0.983 0.000) 8.138 10.580 ( -1.879 -1.813 0.000) 2.611 11.080 ( -4.513 -0.297 0.000) 4.523 12.734 ( 0.736 -4.695 -0.000) 4.752 14.539 ( -27.510 17.906 0.000) 32.824 17.389 ( 0.407 0.445 0.000) 0.603 18.445 ( -9.170 -16.388 -0.000) 18.779 20.014 ( 27.709 2.983 -0.000) 27.869 ======================= Grid point 252 (131/156) ======================= q-point: ( 0.49 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -4.057 6.775 -3.344) 8.575 2.382 ( 2.334 1.090 -1.916) 3.211 3.124 ( -0.315 2.692 8.153) 8.592 4.008 ( -0.016 8.489 6.645) 10.781 4.519 ( 3.926 -0.424 21.567) 21.926 4.682 ( 2.463 -5.215 19.584) 20.416 4.718 ( -8.557 0.140 10.754) 13.743 4.973 ( 6.270 -3.175 3.609) 7.900 5.257 ( -3.769 -10.264 9.639) 14.576 5.507 ( 1.138 12.447 9.203) 15.521 5.934 ( 2.070 -3.637 -0.030) 4.185 6.439 ( -6.853 -1.700 -1.871) 7.304 6.633 ( -3.059 -0.448 -5.076) 5.943 6.699 ( 8.919 -5.885 -0.423) 10.694 7.193 ( -0.360 3.181 -0.831) 3.307 8.022 ( -2.701 -1.114 -14.376) 14.670 8.082 ( 3.600 -3.916 -13.985) 14.963 8.537 ( -0.212 0.271 0.440) 0.558 9.176 ( -0.293 0.246 -10.485) 10.492 10.134 ( -1.129 9.642 -11.386) 14.962 10.896 ( -0.335 8.364 3.822) 9.202 11.250 ( -0.586 -1.272 1.328) 1.930 12.717 ( 0.074 -2.535 2.675) 3.687 15.047 ( 1.895 31.739 -12.277) 34.084 17.894 ( 6.540 4.831 10.371) 13.178 18.153 ( -10.744 1.467 0.649) 10.863 19.001 ( 3.175 -27.397 -13.371) 30.651 ======================= Grid point 253 (132/156) ======================= q-point: ( 0.49 -0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 0.149 4.079 -4.863) 6.349 2.390 ( -0.051 -3.415 -4.963) 6.024 3.145 ( -2.497 2.829 6.134) 7.201 4.112 ( -8.505 9.451 8.624) 15.363 4.469 ( -5.808 2.894 30.458) 31.142 4.606 ( 2.609 -3.314 13.776) 14.407 4.800 ( 4.753 3.751 0.414) 6.070 4.963 ( -0.930 -12.575 13.814) 18.704 5.109 ( 10.919 -3.048 10.443) 15.413 5.623 ( -1.359 0.062 11.386) 11.467 5.969 ( -2.858 -0.091 -3.330) 4.389 6.387 ( 1.833 8.343 0.847) 8.584 6.551 ( -0.358 -4.528 -3.946) 6.017 6.695 ( 3.699 -6.348 -0.849) 7.396 7.225 ( -1.732 1.916 -3.229) 4.135 7.982 ( 0.280 0.797 -14.359) 14.384 8.064 ( 2.400 -4.054 -14.118) 14.883 8.539 ( 0.427 -0.283 0.828) 0.973 9.180 ( 0.370 -0.161 -10.002) 10.010 10.255 ( -4.858 5.514 -10.959) 13.195 11.103 ( -5.265 1.769 2.277) 6.003 11.135 ( 0.155 3.927 -0.677) 3.988 12.697 ( 3.583 -3.693 3.267) 6.095 15.409 ( -23.903 22.626 -13.849) 35.709 17.942 ( -5.928 -0.501 13.121) 14.407 18.273 ( 12.288 4.229 -3.201) 13.384 18.591 ( 11.123 -20.430 -10.001) 25.320 ======================= Grid point 260 (133/156) ======================= q-point: (-0.23 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -0.000 0.000 -14.396) 14.396 1.764 ( -0.000 0.000 -14.396) 14.396 3.140 ( -0.000 0.000 -8.571) 8.571 4.505 ( -0.000 0.000 -6.292) 6.292 4.505 ( -0.000 0.000 -6.292) 6.292 5.042 ( 0.000 -0.000 11.078) 11.078 5.305 ( -0.000 0.000 -6.816) 6.816 5.740 ( 0.000 -0.000 2.481) 2.481 5.740 ( 0.000 -0.000 2.481) 2.481 5.907 ( 0.000 -0.000 13.559) 13.559 6.094 ( -0.000 0.000 -11.360) 11.360 6.444 ( 0.000 -0.000 3.945) 3.945 6.616 ( -0.000 0.000 -11.203) 11.203 6.912 ( -0.000 0.000 -5.816) 5.816 6.912 ( -0.000 0.000 -5.816) 5.816 7.374 ( 0.000 -0.000 14.348) 14.348 7.374 ( 0.000 -0.000 14.348) 14.348 8.636 ( 0.000 -0.000 2.245) 2.245 8.884 ( 0.000 -0.000 3.552) 3.552 9.930 ( -0.000 0.000 -3.386) 3.386 10.936 ( -0.000 0.000 -7.096) 7.096 10.936 ( -0.000 0.000 -7.096) 7.096 12.957 ( 0.000 -0.000 5.726) 5.726 14.809 ( -0.000 0.000 -19.513) 19.513 17.755 ( -0.000 0.000 -5.927) 5.927 17.755 ( -0.000 0.000 -5.927) 5.927 19.442 ( 0.000 -0.000 27.185) 27.185 ======================= Grid point 274 (134/156) ======================= q-point: ( 0.33 -0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -2.164 22.284 9.719) 24.407 2.130 ( -8.366 16.961 2.684) 19.102 2.605 ( 3.409 8.379 6.641) 11.221 3.683 ( -17.742 -7.869 10.797) 22.210 3.879 ( 3.842 -2.408 2.068) 4.984 4.104 ( 25.718 -11.414 10.222) 29.936 4.658 ( 2.083 6.984 0.228) 7.292 5.040 ( -1.050 -7.669 -2.212) 8.051 5.149 ( -3.235 -6.641 3.434) 8.146 5.246 ( -5.062 -5.091 3.272) 7.889 5.952 ( -0.019 -3.448 0.974) 3.583 6.542 ( -3.807 -3.362 -0.749) 5.134 6.800 ( -0.301 4.834 -3.297) 5.859 6.862 ( 3.948 7.569 -0.925) 8.586 7.033 ( 1.087 -3.515 1.250) 3.886 8.454 ( -3.111 -1.242 -5.614) 6.538 8.521 ( -0.977 -0.094 0.040) 0.982 8.532 ( 5.897 -2.171 -5.033) 8.051 9.531 ( -1.482 -1.319 -5.574) 5.917 10.304 ( -1.841 9.969 -5.836) 11.698 10.583 ( -0.963 4.512 3.287) 5.665 11.099 ( -0.976 4.842 2.915) 5.735 12.690 ( 0.111 -1.392 0.893) 1.657 14.727 ( 2.652 29.031 -3.654) 29.381 17.533 ( 9.780 -0.483 3.607) 10.435 18.118 ( -12.596 7.737 -1.025) 14.818 20.004 ( 2.186 -27.659 -6.901) 28.590 ======================= Grid point 275 (135/156) ======================= q-point: ( 0.33 -0.24 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -0.684 14.782 -2.067) 14.942 2.403 ( 3.085 16.729 3.777) 17.426 2.717 ( -1.941 0.582 5.953) 6.288 3.192 ( -16.406 -1.759 19.830) 25.797 3.817 ( -8.439 4.338 2.205) 9.742 4.340 ( 16.010 -18.665 6.669) 25.479 4.758 ( 4.444 -3.619 0.628) 5.766 4.824 ( 3.644 -1.653 3.465) 5.293 5.025 ( 4.414 -9.111 2.505) 10.429 5.270 ( -1.097 2.967 4.013) 5.110 6.031 ( 6.612 4.889 -0.580) 8.244 6.327 ( -7.404 -3.009 -1.097) 8.067 6.813 ( 2.059 -5.162 -2.775) 6.212 6.895 ( 2.646 -5.400 -2.103) 6.370 7.110 ( -4.826 9.453 1.849) 10.773 8.373 ( -1.845 -0.559 -5.600) 5.923 8.521 ( 0.641 0.001 0.228) 0.681 8.574 ( 4.314 -4.864 -5.660) 8.620 9.503 ( 1.198 -0.694 -4.845) 5.039 10.464 ( -2.587 8.529 -6.004) 10.746 10.794 ( -0.289 12.193 2.710) 12.494 11.071 ( -4.699 0.840 2.072) 5.204 12.706 ( 5.106 -3.806 0.895) 6.431 15.175 ( -21.245 31.610 -3.891) 38.284 17.606 ( -2.692 -4.158 4.525) 6.709 18.288 ( 15.441 9.664 -2.434) 18.378 19.460 ( 3.952 -29.680 -5.568) 30.455 ======================= Grid point 276 (136/156) ======================= q-point: ( 0.33 -0.24 -0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -13.289 -1.395 0.168) 13.363 2.465 ( -7.791 -3.122 -1.023) 8.455 2.667 ( -3.660 2.527 8.661) 9.736 3.311 ( 4.886 25.086 17.379) 30.906 3.775 ( -5.839 5.897 1.382) 8.413 4.055 ( 3.219 -19.689 12.877) 23.746 4.805 ( 1.795 -8.044 -1.750) 8.426 4.902 ( 6.780 0.315 -1.265) 6.904 5.053 ( 10.967 -4.495 6.151) 13.353 5.242 ( -0.677 -0.181 4.526) 4.580 5.988 ( -3.052 -5.164 -1.083) 6.096 6.506 ( 6.060 8.442 -0.850) 10.427 6.722 ( 4.034 -3.921 -2.838) 6.301 6.866 ( 1.865 -3.329 -2.850) 4.763 7.106 ( -9.501 4.774 2.445) 10.910 8.387 ( 1.059 2.896 -5.182) 6.030 8.524 ( 1.702 -5.082 -5.672) 7.804 8.532 ( 0.858 -0.777 -0.067) 1.159 9.527 ( 2.220 -1.265 -5.127) 5.728 10.486 ( -6.794 2.392 -5.734) 9.206 10.754 ( -10.838 0.449 3.536) 11.409 11.143 ( -0.310 4.468 1.104) 4.613 12.698 ( 3.653 -5.270 1.040) 6.496 15.142 ( -34.276 21.630 -4.425) 40.771 17.458 ( -2.582 -0.828 5.304) 5.957 18.539 ( -1.861 -12.770 -2.715) 13.187 19.364 ( 29.309 -3.241 -5.547) 30.005 ======================= Grid point 281 (137/156) ======================= q-point: (-0.39 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -1.820 0.966 -7.807) 8.075 2.248 ( 1.797 -3.682 -7.372) 8.434 3.244 ( -0.069 -0.033 2.348) 2.349 4.377 ( -1.417 12.959 6.791) 14.699 4.658 ( 2.819 2.678 -1.999) 4.372 4.844 ( -1.803 -7.931 3.844) 8.996 5.092 ( 0.629 3.979 20.242) 20.639 5.201 ( 0.183 -0.279 22.038) 22.040 5.330 ( -0.513 -6.846 15.948) 17.362 5.742 ( 0.344 -7.274 1.550) 7.445 6.035 ( 0.722 10.106 9.210) 13.692 6.372 ( -1.585 0.847 -5.269) 5.567 6.596 ( -5.102 0.179 4.055) 6.520 6.641 ( 5.748 -4.323 6.210) 9.502 7.121 ( 0.146 -0.939 -8.269) 8.324 7.703 ( -1.071 -1.191 -15.869) 15.949 7.721 ( 1.178 -2.902 -15.702) 16.011 8.557 ( -0.027 0.304 1.283) 1.318 8.996 ( -0.009 0.380 -8.378) 8.387 10.105 ( -0.199 7.501 -9.876) 12.403 11.078 ( -0.087 5.550 -1.292) 5.699 11.182 ( -0.015 -3.542 -2.519) 4.347 12.739 ( 0.012 -1.811 4.853) 5.180 15.342 ( 0.318 23.694 -17.961) 29.734 18.001 ( -0.521 1.796 -6.015) 6.299 18.222 ( -0.633 -16.004 -6.079) 17.131 18.456 ( 0.936 -1.919 17.523) 17.652 ======================= Grid point 304 (138/156) ======================= q-point: ( 0.45 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -3.733 10.685 -1.826) 11.465 2.404 ( 0.859 5.672 -0.413) 5.751 2.929 ( 0.184 5.814 11.747) 13.109 3.853 ( -4.944 2.950 11.504) 12.865 4.067 ( 0.068 0.947 18.175) 18.200 4.210 ( 8.802 -7.414 21.531) 24.414 4.701 ( 0.345 -0.428 -0.537) 0.768 4.912 ( 1.014 -5.320 3.344) 6.365 5.092 ( -4.002 -10.804 6.868) 13.413 5.363 ( 1.236 7.050 6.204) 9.472 5.937 ( 1.729 0.915 -0.342) 1.986 6.466 ( -7.648 -2.067 -1.104) 7.999 6.724 ( 2.417 -4.892 -3.349) 6.402 6.746 ( 3.799 -4.422 -4.350) 7.274 7.187 ( -0.215 6.824 1.193) 6.931 8.266 ( -3.137 -1.361 -10.565) 11.105 8.320 ( 4.234 -3.552 -10.344) 11.728 8.529 ( -0.247 -0.217 0.352) 0.482 9.367 ( -0.646 -0.720 -8.760) 8.813 10.345 ( -0.978 9.557 -9.941) 13.825 10.824 ( 0.520 11.407 3.472) 11.935 11.213 ( -1.597 0.843 2.271) 2.901 12.671 ( 0.239 -3.306 2.022) 3.883 15.258 ( 1.667 34.448 -9.233) 35.703 17.678 ( 6.905 2.063 9.911) 12.254 18.197 ( -10.961 3.930 -3.130) 12.057 19.233 ( 3.319 -30.828 -10.252) 32.657 ======================= Grid point 305 (139/156) ======================= q-point: ( 0.45 -0.27 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -1.623 4.880 -3.876) 6.439 2.476 ( -0.380 -1.546 -4.099) 4.398 3.002 ( -5.492 5.648 8.561) 11.634 3.795 ( -4.748 9.916 27.812) 29.906 4.018 ( -8.410 3.223 10.086) 13.522 4.272 ( 7.275 -9.658 17.784) 21.505 4.728 ( 4.751 -5.671 7.011) 10.192 4.839 ( 0.163 -2.312 0.384) 2.349 4.960 ( 9.082 -3.708 5.296) 11.149 5.420 ( -1.309 -0.280 9.186) 9.283 6.034 ( -3.507 -0.257 -3.025) 4.639 6.381 ( 2.119 8.732 -0.359) 8.992 6.619 ( 0.838 -7.572 -2.805) 8.118 6.741 ( 4.475 -4.729 -3.248) 7.276 7.260 ( -3.825 3.904 -0.701) 5.510 8.223 ( 0.061 1.000 -10.343) 10.392 8.310 ( 2.555 -4.294 -10.818) 11.916 8.524 ( 0.879 -0.725 0.672) 1.323 9.361 ( 0.978 -0.544 -8.288) 8.364 10.456 ( -4.964 5.509 -9.467) 12.026 11.052 ( -8.567 3.877 2.860) 9.829 11.140 ( 0.056 5.380 0.086) 5.381 12.642 ( 4.295 -4.562 2.315) 6.680 15.643 ( -26.216 25.196 -10.134) 37.747 17.695 ( -4.627 -1.165 11.016) 12.005 18.365 ( 11.752 3.734 -4.903) 13.270 18.767 ( 13.294 -22.506 -7.880) 27.301 ======================= Grid point 312 (140/156) ======================= q-point: (-0.27 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -0.000 0.000 -11.409) 11.409 2.013 ( -0.000 0.000 -11.409) 11.409 3.240 ( -0.000 0.000 -2.226) 2.226 4.619 ( -0.000 0.000 -5.266) 5.266 4.619 ( -0.000 0.000 -5.266) 5.266 4.813 ( 0.000 -0.000 12.200) 12.200 5.394 ( 0.000 -0.000 1.310) 1.310 5.582 ( 0.000 -0.000 14.118) 14.118 5.582 ( 0.000 -0.000 14.118) 14.118 5.673 ( 0.000 -0.000 7.427) 7.427 6.261 ( -0.000 0.000 -7.020) 7.020 6.316 ( 0.000 -0.000 8.746) 8.746 6.802 ( 0.000 -0.000 13.189) 13.189 6.802 ( 0.000 -0.000 13.189) 13.189 6.877 ( -0.000 0.000 -13.937) 13.937 7.393 ( -0.000 0.000 -12.884) 12.884 7.393 ( -0.000 0.000 -12.884) 12.884 8.596 ( 0.000 -0.000 1.960) 1.960 8.883 ( -0.000 0.000 -3.334) 3.334 10.026 ( -0.000 0.000 -6.684) 6.684 11.057 ( -0.000 0.000 -5.335) 5.335 11.057 ( -0.000 0.000 -5.335) 5.335 12.837 ( 0.000 -0.000 6.375) 6.375 15.206 ( -0.000 0.000 -21.105) 21.105 17.881 ( -0.000 0.000 -6.937) 6.937 17.881 ( -0.000 0.000 -6.937) 6.937 18.925 ( 0.000 -0.000 25.927) 25.927 ======================= Grid point 328 (141/156) ======================= q-point: ( 0.29 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -1.977 26.238 0.000) 26.312 2.107 ( -9.509 17.945 0.000) 20.309 2.545 ( 3.962 8.279 0.000) 9.178 3.571 ( -21.401 -8.566 0.000) 23.052 3.871 ( 1.918 -3.357 -0.000) 3.866 3.999 ( 32.988 -12.086 -0.000) 35.133 4.656 ( 2.022 8.013 0.000) 8.264 5.082 ( 1.748 -5.631 -0.000) 5.896 5.102 ( -9.783 -14.823 -0.000) 17.761 5.207 ( -2.531 -1.649 0.000) 3.021 5.944 ( -0.530 -3.032 -0.000) 3.078 6.550 ( -3.676 -3.435 0.000) 5.032 6.840 ( 0.916 1.543 0.000) 1.794 6.861 ( 1.108 16.025 0.000) 16.063 7.023 ( 2.677 -8.036 -0.000) 8.470 8.508 ( -0.830 0.898 0.000) 1.223 8.522 ( -3.316 -2.242 0.000) 4.003 8.581 ( 6.027 -2.001 -0.000) 6.351 9.586 ( -1.672 -1.655 0.000) 2.352 10.363 ( -1.653 10.215 0.000) 10.348 10.550 ( -0.693 4.988 0.000) 5.036 11.069 ( -1.299 5.174 0.000) 5.335 12.681 ( 0.180 -1.496 -0.000) 1.506 14.763 ( 2.357 29.746 0.000) 29.839 17.499 ( 10.390 -1.283 -0.000) 10.469 18.128 ( -12.925 8.208 0.000) 15.311 20.072 ( 2.180 -28.229 -0.000) 28.313 ======================= Grid point 329 (142/156) ======================= q-point: ( 0.29 -0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 4.306 26.072 0.000) 26.425 2.327 ( -1.587 13.465 0.000) 13.558 2.668 ( 1.862 -1.685 -0.000) 2.511 2.989 ( -21.635 -4.477 0.000) 22.094 3.798 ( -8.086 4.139 0.000) 9.083 4.273 ( 16.166 -21.069 -0.000) 26.556 4.744 ( 7.272 -8.567 -0.000) 11.237 4.798 ( 2.949 3.229 0.000) 4.373 5.000 ( 3.334 -8.865 -0.000) 9.471 5.230 ( -1.509 2.150 0.000) 2.626 6.037 ( 6.806 5.637 -0.000) 8.837 6.339 ( -7.131 -3.159 0.000) 7.799 6.839 ( 2.344 -6.165 -0.000) 6.596 6.919 ( 2.630 -5.552 -0.000) 6.144 7.089 ( -5.601 10.938 0.000) 12.289 8.430 ( -1.960 -0.670 0.000) 2.071 8.516 ( 0.409 0.277 -0.000) 0.494 8.630 ( 4.787 -5.068 -0.000) 6.972 9.551 ( 1.270 -0.843 -0.000) 1.525 10.526 ( -2.557 8.517 0.000) 8.893 10.764 ( -1.697 12.383 0.000) 12.499 11.050 ( -4.077 1.742 0.000) 4.433 12.697 ( 5.197 -3.933 -0.000) 6.518 15.213 ( -21.817 32.255 0.000) 38.941 17.563 ( -2.590 -4.755 -0.000) 5.414 18.312 ( 15.871 10.008 -0.000) 18.763 19.515 ( 3.980 -30.327 -0.000) 30.587 ======================= Grid point 330 (143/156) ======================= q-point: ( 0.29 -0.29 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -22.776 -4.702 0.000) 23.256 2.462 ( -5.929 1.989 0.000) 6.254 2.594 ( -0.774 -2.996 -0.000) 3.094 3.133 ( 7.933 30.729 0.000) 31.737 3.775 ( -6.335 8.721 0.000) 10.779 3.917 ( 3.496 -24.111 -0.000) 24.363 4.830 ( -1.862 -7.161 -0.000) 7.399 4.934 ( 19.352 -8.124 -0.000) 20.988 4.967 ( 4.148 2.288 -0.000) 4.737 5.194 ( -0.739 0.202 0.000) 0.766 5.999 ( -3.318 -5.422 -0.000) 6.357 6.515 ( 6.010 7.643 0.000) 9.723 6.751 ( 5.167 -3.661 -0.000) 6.332 6.896 ( 2.882 -3.471 -0.000) 4.511 7.078 ( -11.876 5.751 0.000) 13.196 8.439 ( 0.777 2.961 0.000) 3.062 8.527 ( 0.481 -0.480 -0.000) 0.680 8.584 ( 2.325 -5.565 -0.000) 6.031 9.578 ( 2.565 -1.355 -0.000) 2.901 10.546 ( -7.021 2.378 0.000) 7.412 10.716 ( -11.254 1.565 0.000) 11.362 11.131 ( -0.892 4.157 0.000) 4.251 12.687 ( 3.721 -5.381 -0.000) 6.542 15.186 ( -34.715 22.304 0.000) 41.263 17.407 ( -2.334 -1.023 0.000) 2.548 18.566 ( -2.063 -13.221 -0.000) 13.381 19.419 ( 29.974 -3.259 -0.000) 30.151 ======================= Grid point 335 (144/156) ======================= q-point: ( 0.56 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -1.962 2.521 -5.869) 6.682 2.371 ( 1.782 -1.352 -5.357) 5.806 3.174 ( -0.106 2.182 4.685) 5.169 4.217 ( -0.747 11.150 9.473) 14.650 4.527 ( 3.667 0.844 23.367) 23.668 4.598 ( -1.715 -3.547 23.886) 24.209 4.753 ( -4.307 3.595 6.779) 8.800 4.900 ( 6.336 -3.905 4.276) 8.583 5.040 ( -3.354 -10.496 12.738) 16.843 5.615 ( 0.412 -1.828 10.253) 10.423 5.987 ( 1.050 8.186 -2.318) 8.572 6.436 ( -5.460 1.564 -1.339) 5.835 6.570 ( 6.815 -5.969 1.421) 9.170 6.594 ( -2.324 -3.614 -3.241) 5.382 7.244 ( -0.045 1.735 -4.360) 4.693 8.000 ( -1.867 -0.946 -14.304) 14.457 8.015 ( 2.029 -2.459 -14.255) 14.607 8.534 ( -0.042 -0.404 1.139) 1.209 9.176 ( -0.062 -0.125 -9.704) 9.705 10.312 ( -0.174 7.157 -11.045) 13.162 11.087 ( 0.274 8.938 0.174) 8.943 11.213 ( -0.444 -1.971 -0.767) 2.162 12.653 ( 0.043 -3.282 3.918) 5.111 15.670 ( 0.394 27.226 -15.603) 31.383 17.986 ( 5.234 4.180 13.628) 15.185 18.163 ( -9.460 -0.286 -3.138) 9.971 18.460 ( 3.964 -24.252 -8.479) 25.996 ======================= Grid point 358 (145/156) ======================= q-point: ( 0.40 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -1.808 18.254 0.671) 18.355 2.401 ( -2.589 10.080 0.471) 10.418 2.709 ( 1.724 4.269 9.174) 10.264 3.569 ( -19.735 -3.462 13.070) 23.923 3.858 ( 25.041 -7.091 8.706) 27.443 3.925 ( 1.550 0.836 5.992) 6.246 4.719 ( -0.260 -2.247 -1.471) 2.698 4.839 ( -4.081 -9.695 3.997) 11.253 5.001 ( -1.251 -6.730 2.722) 7.366 5.265 ( 1.474 2.998 3.748) 5.021 5.947 ( 1.269 3.689 -0.561) 3.941 6.484 ( -7.189 -2.161 -0.700) 7.539 6.776 ( 4.249 -7.952 -1.986) 9.232 6.825 ( 1.102 -4.062 -3.180) 5.276 7.158 ( 0.149 9.951 1.479) 10.062 8.424 ( -2.743 -1.476 -5.681) 6.479 8.474 ( 3.713 -3.073 -5.381) 7.224 8.523 ( -0.004 -0.589 0.233) 0.633 9.501 ( -0.922 -1.472 -4.907) 5.205 10.502 ( -0.779 9.279 -5.938) 11.043 10.769 ( 1.406 13.418 2.040) 13.645 11.170 ( -2.611 2.445 1.901) 4.051 12.641 ( 0.404 -3.643 1.086) 3.823 15.396 ( 1.131 36.048 -4.911) 36.399 17.532 ( 7.602 0.395 5.024) 9.121 18.248 ( -11.157 5.153 -1.944) 12.442 19.387 ( 3.356 -32.952 -5.555) 33.585 ======================= Grid point 359 (146/156) ======================= q-point: ( 0.40 -0.31 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( -2.398 5.451 -3.710) 7.016 2.555 ( -0.409 -1.028 -4.090) 4.237 2.826 ( -8.866 7.566 8.840) 14.629 3.296 ( -5.158 13.615 20.864) 25.442 3.885 ( -0.994 -8.645 4.985) 10.029 4.002 ( 1.535 -4.742 9.123) 10.395 4.617 ( 10.709 -7.175 4.046) 13.511 4.839 ( 0.768 -2.657 0.100) 2.767 4.890 ( 5.326 -1.274 2.163) 5.888 5.279 ( -0.994 -0.944 5.094) 5.275 6.080 ( -4.007 0.010 -1.617) 4.321 6.393 ( 2.507 8.445 -0.654) 8.833 6.660 ( 2.134 -8.799 -1.453) 9.170 6.798 ( 4.483 -4.235 -2.325) 6.591 7.263 ( -5.497 5.391 0.147) 7.701 8.377 ( -0.272 1.018 -5.543) 5.642 8.472 ( 2.888 -4.218 -5.677) 7.640 8.514 ( 1.110 -1.124 0.374) 1.624 9.488 ( 1.395 -0.790 -4.612) 4.883 10.606 ( -4.735 5.158 -5.697) 9.027 11.000 ( -10.983 5.694 2.208) 12.566 11.136 ( -0.054 6.221 0.239) 6.226 12.608 ( 4.618 -5.036 1.201) 6.938 15.794 ( -27.549 27.086 -5.314) 38.998 17.533 ( -4.119 -2.235 5.630) 7.325 18.443 ( 11.903 3.694 -2.864) 12.788 18.886 ( 14.527 -23.848 -4.311) 28.255 ======================= Grid point 366 (147/156) ======================= q-point: (-0.32 -0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -0.000 0.000 -8.693) 8.693 2.207 ( -0.000 0.000 -8.693) 8.693 3.244 ( 0.000 -0.000 1.437) 1.437 4.582 ( 0.000 -0.000 11.510) 11.510 4.694 ( -0.000 0.000 -1.758) 1.758 4.694 ( -0.000 0.000 -1.758) 1.758 5.190 ( 0.000 -0.000 15.668) 15.668 5.201 ( 0.000 -0.000 24.016) 24.016 5.201 ( 0.000 -0.000 24.016) 24.016 5.656 ( -0.000 0.000 -0.443) 0.443 6.147 ( 0.000 -0.000 7.034) 7.034 6.389 ( -0.000 0.000 -6.386) 6.386 6.590 ( 0.000 -0.000 7.678) 7.678 6.590 ( 0.000 -0.000 7.678) 7.678 7.112 ( -0.000 0.000 -9.945) 9.945 7.690 ( -0.000 0.000 -16.181) 16.181 7.690 ( -0.000 0.000 -16.181) 16.181 8.560 ( 0.000 -0.000 1.734) 1.734 8.999 ( -0.000 0.000 -8.112) 8.112 10.187 ( -0.000 0.000 -9.765) 9.765 11.141 ( -0.000 0.000 -3.362) 3.362 11.141 ( -0.000 0.000 -3.362) 3.362 12.717 ( 0.000 -0.000 5.876) 5.876 15.611 ( -0.000 0.000 -20.476) 20.476 18.019 ( -0.000 0.000 -7.269) 7.269 18.019 ( -0.000 0.000 -7.269) 7.269 18.451 ( 0.000 -0.000 22.733) 22.733 ======================= Grid point 391 (148/156) ======================= q-point: ( 0.52 -0.34 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -1.885 3.693 -4.641) 6.223 2.460 ( 1.567 0.746 -4.056) 4.411 3.063 ( -0.050 6.717 6.948) 9.664 3.935 ( -8.368 4.627 22.062) 24.045 4.048 ( 13.058 -4.164 24.121) 27.743 4.167 ( -4.235 3.542 12.140) 13.336 4.656 ( 0.728 -4.406 7.008) 8.310 4.828 ( 1.217 -1.783 3.146) 3.815 4.902 ( -2.501 -7.290 2.159) 8.004 5.418 ( 0.535 -1.141 9.293) 9.378 6.045 ( 1.281 8.256 -2.941) 8.858 6.451 ( -7.325 0.744 -0.695) 7.396 6.568 ( 6.918 -7.553 -0.796) 10.273 6.674 ( -0.906 -4.332 -4.233) 6.125 7.300 ( -0.018 3.981 -1.706) 4.331 8.243 ( -2.014 -0.852 -10.553) 10.777 8.258 ( 2.202 -2.324 -10.604) 11.077 8.514 ( -0.042 -0.972 0.880) 1.312 9.352 ( -0.125 -0.590 -8.069) 8.091 10.513 ( -0.145 6.510 -9.347) 11.392 11.077 ( 1.007 11.668 0.796) 11.738 11.215 ( -1.234 -0.363 0.356) 1.335 12.589 ( 0.102 -4.268 2.696) 5.050 15.935 ( 0.278 29.943 -11.492) 32.074 17.722 ( 2.844 2.288 11.694) 12.251 18.254 ( -6.827 1.796 -4.600) 8.426 18.616 ( 3.849 -28.140 -7.130) 29.283 ======================= Grid point 413 (149/156) ======================= q-point: ( 0.36 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -0.536 25.768 0.000) 25.773 2.396 ( -4.962 10.733 0.000) 11.824 2.620 ( 2.832 0.410 -0.000) 2.861 3.436 ( -22.560 -4.911 0.000) 23.088 3.764 ( 29.884 -11.201 -0.000) 31.914 3.881 ( 0.630 3.968 0.000) 4.018 4.752 ( 0.127 2.141 0.000) 2.145 4.779 ( -6.588 -16.655 -0.000) 17.911 4.976 ( -0.481 -5.210 -0.000) 5.232 5.227 ( 1.763 1.920 0.000) 2.606 5.953 ( 1.078 4.476 0.000) 4.603 6.491 ( -6.938 -2.186 0.000) 7.275 6.796 ( 3.869 -8.478 -0.000) 9.319 6.857 ( 1.011 -5.034 -0.000) 5.135 7.141 ( 0.375 11.624 0.000) 11.630 8.482 ( -2.681 -1.676 0.000) 3.162 8.515 ( -0.382 -0.528 -0.000) 0.651 8.530 ( 4.070 -2.895 -0.000) 4.994 9.550 ( -1.025 -1.757 -0.000) 2.034 10.562 ( -0.676 9.105 0.000) 9.130 10.749 ( 1.803 14.118 0.000) 14.232 11.150 ( -3.073 3.082 0.000) 4.352 12.630 ( 0.472 -3.732 -0.000) 3.761 15.444 ( 0.849 36.579 0.000) 36.589 17.484 ( 7.989 -0.192 -0.000) 7.991 18.268 ( -11.272 5.538 0.000) 12.559 19.442 ( 3.358 -33.676 -0.000) 33.843 ======================= Grid point 414 (150/156) ======================= q-point: ( 0.36 -0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -0.997 6.069 0.000) 6.151 2.609 ( -0.716 -3.254 -0.000) 3.332 2.718 ( -11.266 8.132 0.000) 13.895 3.071 ( -5.545 17.199 0.000) 18.070 3.831 ( 7.557 -22.215 -0.000) 23.465 3.919 ( -6.732 6.532 0.000) 9.380 4.577 ( 13.647 -7.684 -0.000) 15.662 4.836 ( -0.221 -4.588 -0.000) 4.593 4.871 ( 4.746 1.156 -0.000) 4.884 5.229 ( -0.947 -1.205 -0.000) 1.533 6.096 ( -4.132 0.138 0.000) 4.134 6.400 ( 2.654 8.235 0.000) 8.652 6.675 ( 2.620 -9.062 -0.000) 9.433 6.822 ( 4.512 -4.242 -0.000) 6.193 7.261 ( -6.175 5.977 0.000) 8.594 8.433 ( -0.332 1.000 0.000) 1.054 8.506 ( 1.172 -0.945 -0.000) 1.506 8.530 ( 2.960 -4.480 -0.000) 5.370 9.533 ( 1.542 -0.874 -0.000) 1.773 10.664 ( -4.427 4.802 0.000) 6.531 10.977 ( -12.020 6.605 0.000) 13.715 11.133 ( -0.127 6.468 0.000) 6.469 12.596 ( 4.705 -5.183 -0.000) 7.000 15.846 ( -27.967 27.804 0.000) 39.436 17.478 ( -4.010 -2.700 0.000) 4.835 18.471 ( 12.010 3.681 -0.000) 12.561 18.929 ( 14.950 -24.305 -0.000) 28.535 ======================= Grid point 421 (151/156) ======================= q-point: ( 0.64 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -0.000 0.000 -6.513) 6.513 2.353 ( -0.000 0.000 -6.513) 6.513 3.199 ( 0.000 -0.000 2.899) 2.899 4.375 ( 0.000 -0.000 9.662) 9.662 4.537 ( 0.000 -0.000 23.961) 23.961 4.537 ( 0.000 -0.000 23.961) 23.961 4.847 ( 0.000 -0.000 5.144) 5.144 4.847 ( 0.000 -0.000 5.144) 5.144 4.875 ( 0.000 -0.000 16.058) 16.058 5.576 ( 0.000 -0.000 8.413) 8.413 6.098 ( -0.000 0.000 -1.597) 1.597 6.498 ( 0.000 -0.000 2.455) 2.455 6.498 ( 0.000 -0.000 2.455) 2.455 6.508 ( -0.000 0.000 -5.816) 5.816 7.261 ( -0.000 0.000 -5.629) 5.629 7.990 ( -0.000 0.000 -14.395) 14.395 7.990 ( -0.000 0.000 -14.395) 14.395 8.528 ( 0.000 -0.000 1.512) 1.512 9.175 ( -0.000 0.000 -9.448) 9.448 10.389 ( -0.000 0.000 -10.696) 10.696 11.189 ( -0.000 0.000 -1.669) 1.669 11.189 ( -0.000 0.000 -1.669) 1.669 12.614 ( 0.000 -0.000 4.708) 4.708 15.985 ( -0.000 0.000 -17.772) 17.772 18.054 ( 0.000 -0.000 18.082) 18.082 18.156 ( -0.000 0.000 -6.689) 6.689 18.156 ( -0.000 0.000 -6.689) 6.689 ======================= Grid point 451 (152/156) ======================= q-point: ( 0.47 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -2.213 4.114 -3.338) 5.742 2.536 ( 1.860 2.272 -4.172) 5.102 2.902 ( 0.531 14.414 9.283) 17.153 3.536 ( -16.009 -0.144 16.187) 22.767 3.667 ( 17.571 -9.366 13.427) 24.015 4.034 ( -0.505 6.283 3.887) 7.405 4.521 ( -1.143 -11.399 5.529) 12.720 4.797 ( 0.929 1.445 0.745) 1.872 4.879 ( -1.599 -5.144 0.676) 5.429 5.274 ( 0.680 -1.779 5.197) 5.536 6.091 ( 1.342 8.975 -1.635) 9.221 6.464 ( -7.093 0.268 -0.551) 7.119 6.587 ( 6.108 -8.754 -0.908) 10.713 6.741 ( -0.510 -4.701 -2.478) 5.339 7.319 ( 0.029 5.641 -0.482) 5.662 8.401 ( -1.588 -0.806 -5.616) 5.892 8.417 ( 1.765 -2.279 -5.662) 6.354 8.500 ( -0.011 -1.320 0.547) 1.429 9.476 ( -0.172 -0.924 -4.498) 4.595 10.659 ( -0.114 5.775 -5.370) 7.887 11.062 ( 1.716 13.411 0.635) 13.535 11.205 ( -1.993 1.048 0.597) 2.330 12.550 ( 0.159 -4.811 1.365) 5.003 16.107 ( 0.014 31.714 -6.076) 32.291 17.550 ( 2.913 1.358 5.974) 6.784 18.325 ( -6.654 2.482 -2.579) 7.556 18.725 ( 3.872 -30.488 -3.941) 30.985 ======================= Grid point 481 (153/156) ======================= q-point: ( 0.59 -0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -0.000 0.000 -4.968) 4.968 2.463 ( -0.000 0.000 -4.968) 4.968 3.142 ( 0.000 -0.000 2.723) 2.723 3.998 ( 0.000 -0.000 27.682) 27.682 3.998 ( 0.000 -0.000 27.682) 27.682 4.213 ( 0.000 -0.000 7.019) 7.019 4.590 ( 0.000 -0.000 12.930) 12.930 4.823 ( 0.000 -0.000 0.166) 0.166 4.823 ( 0.000 -0.000 0.166) 0.166 5.392 ( 0.000 -0.000 9.333) 9.333 6.157 ( -0.000 0.000 -3.438) 3.438 6.475 ( 0.000 -0.000 0.245) 0.245 6.475 ( 0.000 -0.000 0.245) 0.245 6.609 ( -0.000 0.000 -4.483) 4.483 7.340 ( -0.000 0.000 -2.792) 2.792 8.234 ( -0.000 0.000 -10.617) 10.617 8.234 ( -0.000 0.000 -10.617) 10.617 8.502 ( 0.000 -0.000 1.157) 1.157 9.346 ( -0.000 0.000 -7.859) 7.859 10.583 ( -0.000 0.000 -8.869) 8.869 11.210 ( -0.000 0.000 -0.558) 0.558 11.210 ( -0.000 0.000 -0.558) 0.558 12.537 ( 0.000 -0.000 3.219) 3.219 16.287 ( -0.000 0.000 -13.158) 13.158 17.758 ( 0.000 -0.000 12.467) 12.467 18.272 ( -0.000 0.000 -5.146) 5.146 18.272 ( -0.000 0.000 -5.146) 5.146 ======================= Grid point 511 (154/156) ======================= q-point: ( 0.43 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -1.827 4.411 0.000) 4.775 2.603 ( 1.551 -1.308 -0.000) 2.029 2.775 ( 1.014 22.317 0.000) 22.340 3.370 ( -16.555 -1.774 0.000) 16.650 3.541 ( 17.515 -11.276 -0.000) 20.831 3.997 ( -0.007 6.210 0.000) 6.210 4.466 ( -1.919 -13.082 -0.000) 13.222 4.790 ( 1.303 2.038 0.000) 2.419 4.873 ( -1.729 -4.662 -0.000) 4.972 5.223 ( 0.762 -2.070 -0.000) 2.206 6.107 ( 1.343 9.219 0.000) 9.316 6.470 ( -6.856 0.137 0.000) 6.857 6.596 ( 5.733 -9.190 -0.000) 10.832 6.766 ( -0.421 -4.859 -0.000) 4.877 7.323 ( 0.051 6.276 0.000) 6.276 8.456 ( -1.520 -0.857 0.000) 1.745 8.474 ( 1.755 -2.386 -0.000) 2.962 8.493 ( -0.061 -1.254 -0.000) 1.256 9.520 ( -0.189 -1.047 -0.000) 1.064 10.712 ( -0.099 5.405 0.000) 5.406 11.055 ( 2.024 14.008 0.000) 14.153 11.198 ( -2.323 1.669 0.000) 2.860 12.537 ( 0.182 -4.980 -0.000) 4.984 16.166 ( -0.138 32.341 0.000) 32.342 17.492 ( 3.062 1.019 -0.000) 3.227 18.351 ( -6.662 2.689 0.000) 7.184 18.764 ( 3.881 -31.301 -0.000) 31.540 ======================= Grid point 540 (155/156) ======================= q-point: ( 0.55 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -0.000 0.000 -3.606) 3.606 2.547 ( -0.000 0.000 -3.606) 3.606 3.100 ( 0.000 -0.000 1.568) 1.568 3.541 ( 0.000 -0.000 18.088) 18.088 3.541 ( 0.000 -0.000 18.088) 18.088 4.108 ( 0.000 -0.000 3.721) 3.721 4.391 ( 0.000 -0.000 7.263) 7.263 4.820 ( 0.000 -0.000 0.147) 0.147 4.820 ( 0.000 -0.000 0.147) 0.147 5.244 ( 0.000 -0.000 5.451) 5.451 6.212 ( -0.000 0.000 -2.053) 2.053 6.477 ( -0.000 0.000 -0.251) 0.251 6.477 ( -0.000 0.000 -0.251) 0.251 6.677 ( -0.000 0.000 -2.438) 2.438 7.377 ( -0.000 0.000 -1.136) 1.136 8.393 ( -0.000 0.000 -5.620) 5.620 8.393 ( -0.000 0.000 -5.620) 5.620 8.485 ( 0.000 -0.000 0.634) 0.634 9.467 ( -0.000 0.000 -4.379) 4.379 10.719 ( -0.000 0.000 -4.955) 4.955 11.215 ( -0.000 0.000 -0.076) 0.076 11.215 ( -0.000 0.000 -0.076) 0.076 12.490 ( 0.000 -0.000 1.620) 1.620 16.484 ( -0.000 0.000 -7.013) 7.013 17.575 ( 0.000 -0.000 6.334) 6.334 18.350 ( -0.000 0.000 -2.800) 2.800 18.350 ( -0.000 0.000 -2.800) 2.800 ======================= Grid point 599 (156/156) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 0.000 -0.000 -0.000) 0.000 2.588 ( 0.000 -0.000 -0.000) 0.000 3.084 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 -0.000 -0.000) 0.000 3.354 ( 0.000 -0.000 0.000) 0.000 4.072 ( 0.000 -0.000 -0.000) 0.000 4.320 ( 0.000 -0.000 0.000) 0.000 4.818 ( 0.000 -0.000 0.000) 0.000 4.818 ( 0.000 -0.000 -0.000) 0.000 5.190 ( 0.000 0.000 0.000) 0.000 6.232 ( -0.000 0.000 -0.000) 0.000 6.480 ( 0.000 -0.000 0.000) 0.000 6.480 ( 0.000 0.000 -0.000) 0.000 6.701 ( 0.000 -0.000 0.000) 0.000 7.388 ( 0.000 -0.000 0.000) 0.000 8.448 ( -0.000 0.000 -0.000) 0.000 8.448 ( 0.000 0.000 -0.000) 0.000 8.478 ( 0.000 -0.000 -0.000) 0.000 9.510 ( 0.000 -0.000 0.000) 0.000 10.768 ( 0.000 0.000 0.000) 0.000 11.215 ( 0.000 0.000 -0.000) 0.000 11.215 ( 0.000 -0.000 -0.000) 0.000 12.475 ( 0.000 0.000 0.000) 0.000 16.552 ( 0.000 0.000 -0.000) 0.000 17.514 ( 0.000 0.000 0.000) 0.000 18.377 ( 0.000 -0.000 0.000) 0.000 18.377 ( 0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/29106 10.0 568.547 568.547 802.961 -0.000 0.000 0.000 3/29106 20.0 246.797 246.797 275.659 -0.000 0.000 0.000 3/29106 30.0 120.959 120.959 127.767 -0.000 0.000 0.000 3/29106 40.0 66.331 66.331 68.971 -0.000 0.000 0.000 3/29106 50.0 41.508 41.508 42.432 -0.000 0.000 0.000 3/29106 60.0 28.943 28.943 29.241 -0.000 0.000 0.000 3/29106 70.0 21.812 21.812 21.905 -0.000 0.000 0.000 3/29106 80.0 17.364 17.364 17.402 -0.000 0.000 0.000 3/29106 90.0 14.376 14.376 14.414 -0.000 0.000 0.000 3/29106 100.0 12.254 12.254 12.307 -0.000 0.000 0.000 3/29106 110.0 10.679 10.679 10.750 -0.000 0.000 0.000 3/29106 120.0 9.468 9.468 9.556 -0.000 0.000 0.000 3/29106 130.0 8.511 8.511 8.612 -0.000 0.000 0.000 3/29106 140.0 7.737 7.737 7.847 -0.000 0.000 0.000 3/29106 150.0 7.099 7.099 7.215 -0.000 0.000 0.000 3/29106 160.0 6.564 6.564 6.684 -0.000 0.000 0.000 3/29106 170.0 6.109 6.109 6.231 -0.000 0.000 0.000 3/29106 180.0 5.717 5.717 5.840 -0.000 0.000 0.000 3/29106 190.0 5.376 5.376 5.499 -0.000 0.000 0.000 3/29106 200.0 5.076 5.076 5.199 -0.000 0.000 0.000 3/29106 210.0 4.810 4.810 4.933 -0.000 0.000 0.000 3/29106 220.0 4.573 4.573 4.694 -0.000 0.000 0.000 3/29106 230.0 4.359 4.359 4.479 -0.000 0.000 0.000 3/29106 240.0 4.166 4.166 4.285 -0.000 0.000 0.000 3/29106 250.0 3.990 3.990 4.107 -0.000 0.000 0.000 3/29106 260.0 3.830 3.830 3.945 -0.000 0.000 0.000 3/29106 270.0 3.682 3.682 3.796 -0.000 0.000 0.000 3/29106 280.0 3.546 3.546 3.659 -0.000 0.000 0.000 3/29106 290.0 3.421 3.421 3.531 -0.000 0.000 0.000 3/29106 300.0 3.304 3.304 3.413 -0.000 0.000 0.000 3/29106 310.0 3.195 3.195 3.302 -0.000 0.000 0.000 3/29106 320.0 3.094 3.094 3.199 -0.000 0.000 0.000 3/29106 330.0 2.999 2.999 3.103 -0.000 0.000 0.000 3/29106 340.0 2.910 2.910 3.012 -0.000 0.000 0.000 3/29106 350.0 2.826 2.826 2.926 -0.000 0.000 0.000 3/29106 360.0 2.747 2.747 2.846 -0.000 0.000 0.000 3/29106 370.0 2.672 2.672 2.770 -0.000 0.000 0.000 3/29106 380.0 2.602 2.602 2.697 -0.000 0.000 0.000 3/29106 390.0 2.535 2.535 2.629 -0.000 0.000 0.000 3/29106 400.0 2.471 2.471 2.564 -0.000 0.000 0.000 3/29106 410.0 2.411 2.411 2.503 -0.000 0.000 0.000 3/29106 420.0 2.354 2.354 2.444 -0.000 0.000 0.000 3/29106 430.0 2.299 2.299 2.388 -0.000 0.000 0.000 3/29106 440.0 2.247 2.247 2.334 -0.000 0.000 0.000 3/29106 450.0 2.197 2.197 2.283 -0.000 0.000 0.000 3/29106 460.0 2.150 2.150 2.234 -0.000 0.000 0.000 3/29106 470.0 2.104 2.104 2.187 -0.000 0.000 0.000 3/29106 480.0 2.060 2.060 2.143 -0.000 0.000 0.000 3/29106 490.0 2.019 2.019 2.100 -0.000 0.000 0.000 3/29106 500.0 1.978 1.978 2.058 -0.000 0.000 0.000 3/29106 510.0 1.940 1.940 2.018 -0.000 0.000 0.000 3/29106 520.0 1.903 1.903 1.980 -0.000 0.000 0.000 3/29106 530.0 1.867 1.867 1.943 -0.000 0.000 0.000 3/29106 540.0 1.833 1.833 1.908 -0.000 0.000 0.000 3/29106 550.0 1.799 1.799 1.874 -0.000 0.000 0.000 3/29106 560.0 1.767 1.767 1.841 -0.000 0.000 0.000 3/29106 570.0 1.737 1.737 1.809 -0.000 0.000 0.000 3/29106 580.0 1.707 1.707 1.778 -0.000 0.000 0.000 3/29106 590.0 1.678 1.678 1.748 -0.000 0.000 0.000 3/29106 600.0 1.650 1.650 1.720 -0.000 0.000 0.000 3/29106 610.0 1.623 1.623 1.692 -0.000 0.000 0.000 3/29106 620.0 1.597 1.597 1.665 -0.000 0.000 0.000 3/29106 630.0 1.572 1.572 1.639 -0.000 0.000 0.000 3/29106 640.0 1.548 1.548 1.614 -0.000 0.000 0.000 3/29106 650.0 1.524 1.524 1.589 -0.000 0.000 0.000 3/29106 660.0 1.501 1.501 1.565 -0.000 0.000 0.000 3/29106 670.0 1.479 1.479 1.542 -0.000 0.000 0.000 3/29106 680.0 1.457 1.457 1.520 -0.000 0.000 0.000 3/29106 690.0 1.436 1.436 1.498 -0.000 0.000 0.000 3/29106 700.0 1.416 1.416 1.477 -0.000 0.000 0.000 3/29106 710.0 1.396 1.396 1.456 -0.000 0.000 0.000 3/29106 720.0 1.377 1.377 1.436 -0.000 0.000 0.000 3/29106 730.0 1.358 1.358 1.417 -0.000 0.000 0.000 3/29106 740.0 1.340 1.340 1.398 -0.000 0.000 0.000 3/29106 750.0 1.322 1.322 1.379 -0.000 0.000 0.000 3/29106 760.0 1.305 1.305 1.362 -0.000 0.000 0.000 3/29106 770.0 1.288 1.288 1.344 -0.000 0.000 0.000 3/29106 780.0 1.271 1.271 1.327 -0.000 0.000 0.000 3/29106 790.0 1.255 1.255 1.310 -0.000 0.000 0.000 3/29106 800.0 1.240 1.240 1.294 -0.000 0.000 0.000 3/29106 810.0 1.224 1.224 1.278 -0.000 0.000 0.000 3/29106 820.0 1.210 1.210 1.263 -0.000 0.000 0.000 3/29106 830.0 1.195 1.195 1.248 -0.000 0.000 0.000 3/29106 840.0 1.181 1.181 1.233 -0.000 0.000 0.000 3/29106 850.0 1.167 1.167 1.219 -0.000 0.000 0.000 3/29106 860.0 1.154 1.154 1.205 -0.000 0.000 0.000 3/29106 870.0 1.140 1.140 1.191 -0.000 0.000 0.000 3/29106 880.0 1.127 1.127 1.177 -0.000 0.000 0.000 3/29106 890.0 1.115 1.115 1.164 -0.000 0.000 0.000 3/29106 900.0 1.103 1.103 1.152 -0.000 0.000 0.000 3/29106 910.0 1.090 1.090 1.139 -0.000 0.000 0.000 3/29106 920.0 1.079 1.079 1.127 -0.000 0.000 0.000 3/29106 930.0 1.067 1.067 1.115 -0.000 0.000 0.000 3/29106 940.0 1.056 1.056 1.103 -0.000 0.000 0.000 3/29106 950.0 1.045 1.045 1.091 -0.000 0.000 0.000 3/29106 960.0 1.034 1.034 1.080 -0.000 0.000 0.000 3/29106 970.0 1.023 1.023 1.069 -0.000 0.000 0.000 3/29106 980.0 1.013 1.013 1.058 -0.000 0.000 0.000 3/29106 990.0 1.003 1.003 1.048 -0.000 0.000 0.000 3/29106 1000.0 0.993 0.993 1.037 -0.000 0.000 0.000 3/29106 Thermal conductivity related properties were written into "kappa-m17154.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:31:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|