----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:30:04]------------------------- 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: [3 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.514106069523752 0.000000000000000 0.000000000000000 b -1.757053034761876 3.043305127800652 0.000000000000000 c 0.000000000000000 0.000000000000000 4.559382270000000 Atomic positions (fractional): *1 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 *2 H 0.66666666666667 0.33333333333333 0.45689397892035 1.008 3 H 0.33333333333333 0.66666666666667 0.54310602107965 1.008 *4 O 0.66666666666667 0.33333333333333 0.24170398764537 15.999 5 O 0.33333333333333 0.66666666666667 0.75829601235463 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.514106069523752 0.000000000000000 0.000000000000000 b -1.757053034761876 3.043305127800652 0.000000000000000 c 0.000000000000000 0.000000000000000 4.559382270000000 Atomic positions (fractional): *1 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 1 *2 H 0.66666666666667 0.33333333333333 0.45689397892035 1.008 > 2 3 H 0.33333333333333 0.66666666666667 0.54310602107965 1.008 > 3 *4 O 0.66666666666667 0.33333333333333 0.24170398764537 15.999 > 4 5 O 0.33333333333333 0.66666666666667 0.75829601235463 15.999 > 5 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.542318208571256 0.000000000000000 0.000000000000000 b -5.271159104285628 9.129915383401956 0.000000000000000 c 0.000000000000000 0.000000000000000 13.678146810000001 Atomic positions (fractional): *1 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 1 2 Cd 0.33333333333333 0.00000000000000 0.00000000000000 112.411 > 1 3 Cd 0.66666666666667 0.00000000000000 0.00000000000000 112.411 > 1 4 Cd 0.00000000000000 0.33333333333333 0.00000000000000 112.411 > 1 5 Cd 0.33333333333333 0.33333333333333 0.00000000000000 112.411 > 1 6 Cd 0.66666666666667 0.33333333333333 0.00000000000000 112.411 > 1 7 Cd 0.00000000000000 0.66666666666667 0.00000000000000 112.411 > 1 8 Cd 0.33333333333333 0.66666666666667 0.00000000000000 112.411 > 1 9 Cd 0.66666666666667 0.66666666666667 0.00000000000000 112.411 > 1 10 Cd 0.00000000000000 0.00000000000000 0.33333333333333 112.411 > 1 11 Cd 0.33333333333333 0.00000000000000 0.33333333333333 112.411 > 1 12 Cd 0.66666666666667 0.00000000000000 0.33333333333333 112.411 > 1 13 Cd 0.00000000000000 0.33333333333333 0.33333333333333 112.411 > 1 14 Cd 0.33333333333333 0.33333333333333 0.33333333333333 112.411 > 1 15 Cd 0.66666666666667 0.33333333333333 0.33333333333333 112.411 > 1 16 Cd 0.00000000000000 0.66666666666667 0.33333333333333 112.411 > 1 17 Cd 0.33333333333333 0.66666666666667 0.33333333333333 112.411 > 1 18 Cd 0.66666666666667 0.66666666666667 0.33333333333333 112.411 > 1 19 Cd 0.00000000000000 0.00000000000000 0.66666666666667 112.411 > 1 20 Cd 0.33333333333333 0.00000000000000 0.66666666666667 112.411 > 1 21 Cd 0.66666666666667 0.00000000000000 0.66666666666667 112.411 > 1 22 Cd 0.00000000000000 0.33333333333333 0.66666666666667 112.411 > 1 23 Cd 0.33333333333333 0.33333333333333 0.66666666666667 112.411 > 1 24 Cd 0.66666666666667 0.33333333333333 0.66666666666667 112.411 > 1 25 Cd 0.00000000000000 0.66666666666667 0.66666666666667 112.411 > 1 26 Cd 0.33333333333333 0.66666666666667 0.66666666666667 112.411 > 1 27 Cd 0.66666666666667 0.66666666666667 0.66666666666667 112.411 > 1 *28 H 0.22222222222222 0.11111111111111 0.15229799297345 1.008 > 2 29 H 0.55555555555556 0.11111111111111 0.15229799297345 1.008 > 2 30 H 0.88888888888889 0.11111111111111 0.15229799297345 1.008 > 2 31 H 0.22222222222222 0.44444444444444 0.15229799297345 1.008 > 2 32 H 0.55555555555556 0.44444444444444 0.15229799297345 1.008 > 2 33 H 0.88888888888889 0.44444444444444 0.15229799297345 1.008 > 2 34 H 0.22222222222222 0.77777777777778 0.15229799297345 1.008 > 2 35 H 0.55555555555556 0.77777777777778 0.15229799297345 1.008 > 2 36 H 0.88888888888889 0.77777777777778 0.15229799297345 1.008 > 2 37 H 0.22222222222222 0.11111111111111 0.48563132630678 1.008 > 2 38 H 0.55555555555556 0.11111111111111 0.48563132630678 1.008 > 2 39 H 0.88888888888889 0.11111111111111 0.48563132630678 1.008 > 2 40 H 0.22222222222222 0.44444444444444 0.48563132630678 1.008 > 2 41 H 0.55555555555556 0.44444444444444 0.48563132630678 1.008 > 2 42 H 0.88888888888889 0.44444444444444 0.48563132630678 1.008 > 2 43 H 0.22222222222222 0.77777777777778 0.48563132630678 1.008 > 2 44 H 0.55555555555556 0.77777777777778 0.48563132630678 1.008 > 2 45 H 0.88888888888889 0.77777777777778 0.48563132630678 1.008 > 2 46 H 0.22222222222222 0.11111111111111 0.81896465964012 1.008 > 2 47 H 0.55555555555556 0.11111111111111 0.81896465964012 1.008 > 2 48 H 0.88888888888889 0.11111111111111 0.81896465964012 1.008 > 2 49 H 0.22222222222222 0.44444444444444 0.81896465964012 1.008 > 2 50 H 0.55555555555556 0.44444444444444 0.81896465964012 1.008 > 2 51 H 0.88888888888889 0.44444444444444 0.81896465964012 1.008 > 2 52 H 0.22222222222222 0.77777777777778 0.81896465964012 1.008 > 2 53 H 0.55555555555556 0.77777777777778 0.81896465964012 1.008 > 2 54 H 0.88888888888889 0.77777777777778 0.81896465964012 1.008 > 2 55 H 0.11111111111111 0.22222222222222 0.18103534035988 1.008 > 3 56 H 0.44444444444444 0.22222222222222 0.18103534035988 1.008 > 3 57 H 0.77777777777778 0.22222222222222 0.18103534035988 1.008 > 3 58 H 0.11111111111111 0.55555555555556 0.18103534035988 1.008 > 3 59 H 0.44444444444444 0.55555555555556 0.18103534035988 1.008 > 3 60 H 0.77777777777778 0.55555555555556 0.18103534035988 1.008 > 3 61 H 0.11111111111111 0.88888888888889 0.18103534035988 1.008 > 3 62 H 0.44444444444444 0.88888888888889 0.18103534035988 1.008 > 3 63 H 0.77777777777778 0.88888888888889 0.18103534035988 1.008 > 3 64 H 0.11111111111111 0.22222222222222 0.51436867369322 1.008 > 3 65 H 0.44444444444444 0.22222222222222 0.51436867369322 1.008 > 3 66 H 0.77777777777778 0.22222222222222 0.51436867369322 1.008 > 3 67 H 0.11111111111111 0.55555555555556 0.51436867369322 1.008 > 3 68 H 0.44444444444444 0.55555555555556 0.51436867369322 1.008 > 3 69 H 0.77777777777778 0.55555555555556 0.51436867369322 1.008 > 3 70 H 0.11111111111111 0.88888888888889 0.51436867369322 1.008 > 3 71 H 0.44444444444444 0.88888888888889 0.51436867369322 1.008 > 3 72 H 0.77777777777778 0.88888888888889 0.51436867369322 1.008 > 3 73 H 0.11111111111111 0.22222222222222 0.84770200702655 1.008 > 3 74 H 0.44444444444444 0.22222222222222 0.84770200702655 1.008 > 3 75 H 0.77777777777778 0.22222222222222 0.84770200702655 1.008 > 3 76 H 0.11111111111111 0.55555555555556 0.84770200702655 1.008 > 3 77 H 0.44444444444444 0.55555555555556 0.84770200702655 1.008 > 3 78 H 0.77777777777778 0.55555555555556 0.84770200702655 1.008 > 3 79 H 0.11111111111111 0.88888888888889 0.84770200702655 1.008 > 3 80 H 0.44444444444444 0.88888888888889 0.84770200702655 1.008 > 3 81 H 0.77777777777778 0.88888888888889 0.84770200702655 1.008 > 3 *82 O 0.22222222222222 0.11111111111111 0.08056799588179 15.999 > 4 83 O 0.55555555555556 0.11111111111111 0.08056799588179 15.999 > 4 84 O 0.88888888888889 0.11111111111111 0.08056799588179 15.999 > 4 85 O 0.22222222222222 0.44444444444444 0.08056799588179 15.999 > 4 86 O 0.55555555555556 0.44444444444444 0.08056799588179 15.999 > 4 87 O 0.88888888888889 0.44444444444444 0.08056799588179 15.999 > 4 88 O 0.22222222222222 0.77777777777778 0.08056799588179 15.999 > 4 89 O 0.55555555555556 0.77777777777778 0.08056799588179 15.999 > 4 90 O 0.88888888888889 0.77777777777778 0.08056799588179 15.999 > 4 91 O 0.22222222222222 0.11111111111111 0.41390132921512 15.999 > 4 92 O 0.55555555555556 0.11111111111111 0.41390132921512 15.999 > 4 93 O 0.88888888888889 0.11111111111111 0.41390132921512 15.999 > 4 94 O 0.22222222222222 0.44444444444444 0.41390132921512 15.999 > 4 95 O 0.55555555555556 0.44444444444444 0.41390132921512 15.999 > 4 96 O 0.88888888888889 0.44444444444444 0.41390132921512 15.999 > 4 97 O 0.22222222222222 0.77777777777778 0.41390132921512 15.999 > 4 98 O 0.55555555555556 0.77777777777778 0.41390132921512 15.999 > 4 99 O 0.88888888888889 0.77777777777778 0.41390132921512 15.999 > 4 100 O 0.22222222222222 0.11111111111111 0.74723466254846 15.999 > 4 101 O 0.55555555555556 0.11111111111111 0.74723466254846 15.999 > 4 102 O 0.88888888888889 0.11111111111111 0.74723466254846 15.999 > 4 103 O 0.22222222222222 0.44444444444444 0.74723466254846 15.999 > 4 104 O 0.55555555555556 0.44444444444444 0.74723466254846 15.999 > 4 105 O 0.88888888888889 0.44444444444444 0.74723466254846 15.999 > 4 106 O 0.22222222222222 0.77777777777778 0.74723466254846 15.999 > 4 107 O 0.55555555555556 0.77777777777778 0.74723466254846 15.999 > 4 108 O 0.88888888888889 0.77777777777778 0.74723466254846 15.999 > 4 109 O 0.11111111111111 0.22222222222222 0.25276533745154 15.999 > 5 110 O 0.44444444444444 0.22222222222222 0.25276533745154 15.999 > 5 111 O 0.77777777777778 0.22222222222222 0.25276533745154 15.999 > 5 112 O 0.11111111111111 0.55555555555556 0.25276533745154 15.999 > 5 113 O 0.44444444444444 0.55555555555556 0.25276533745154 15.999 > 5 114 O 0.77777777777778 0.55555555555556 0.25276533745154 15.999 > 5 115 O 0.11111111111111 0.88888888888889 0.25276533745154 15.999 > 5 116 O 0.44444444444444 0.88888888888889 0.25276533745154 15.999 > 5 117 O 0.77777777777778 0.88888888888889 0.25276533745154 15.999 > 5 118 O 0.11111111111111 0.22222222222222 0.58609867078488 15.999 > 5 119 O 0.44444444444444 0.22222222222222 0.58609867078488 15.999 > 5 120 O 0.77777777777778 0.22222222222222 0.58609867078488 15.999 > 5 121 O 0.11111111111111 0.55555555555556 0.58609867078488 15.999 > 5 122 O 0.44444444444444 0.55555555555556 0.58609867078488 15.999 > 5 123 O 0.77777777777778 0.55555555555556 0.58609867078488 15.999 > 5 124 O 0.11111111111111 0.88888888888889 0.58609867078488 15.999 > 5 125 O 0.44444444444444 0.88888888888889 0.58609867078488 15.999 > 5 126 O 0.77777777777778 0.88888888888889 0.58609867078488 15.999 > 5 127 O 0.11111111111111 0.22222222222222 0.91943200411821 15.999 > 5 128 O 0.44444444444444 0.22222222222222 0.91943200411821 15.999 > 5 129 O 0.77777777777778 0.22222222222222 0.91943200411821 15.999 > 5 130 O 0.11111111111111 0.55555555555556 0.91943200411821 15.999 > 5 131 O 0.44444444444444 0.55555555555556 0.91943200411821 15.999 > 5 132 O 0.77777777777778 0.55555555555556 0.91943200411821 15.999 > 5 133 O 0.11111111111111 0.88888888888889 0.91943200411821 15.999 > 5 134 O 0.44444444444444 0.88888888888889 0.91943200411821 15.999 > 5 135 O 0.77777777777778 0.88888888888889 0.91943200411821 15.999 > 5 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9418576 0.0000000 0.0000000 0.0000000 3.9418576 0.0000000 0.0000000 0.0000000 3.1332739 -------------------------- Born effective charges -------------------------- 1 Cd 2.5078031 0.0000000 0.0000000 0.0000000 2.5078031 0.0000000 0.0000000 0.0000000 1.9687897 2 H 0.3761494 0.0000000 0.0000000 0.0000000 0.3761494 0.0000000 0.0000000 0.0000000 0.4094981 3 H 0.3761494 0.0000000 0.0000000 0.0000000 0.3761494 0.0000000 0.0000000 0.0000000 0.4094981 4 O -1.6300509 -0.0000000 0.0000000 0.0000000 -1.6300509 0.0000000 0.0000000 0.0000000 -1.3938929 5 O -1.6300509 -0.0000000 0.0000000 0.0000000 -1.6300509 0.0000000 0.0000000 0.0000000 -1.3938929 ---------------------------------------------------------------------------- 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: 405/405 Permutation basis: 3615/3615 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 322 Number of blocks in projector: 283 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 9 --- Eigsh_solver_block: 1 / 9 --- Block_size: 145 Use standard eigh solver. --- Eigsh_solver_block: 2 / 9 --- Block_size: 93 Use standard eigh solver. --- Eigsh_solver_block: 3 / 9 --- Block_size: 78 Use standard eigh solver. --- Eigsh_solver_block: 4 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 9 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (322, 316), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (78, 75), data: True |-- (93, 93), data: True |-- (145, 142), data: True ----- Solver_atoms: 1 -- 135 / 135 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 80 / 80 - Time: 0.251 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.261 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 405/405 Permutation basis: 3615/3615 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 322 Number of blocks in projector: 283 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 9 --- Eigsh_solver_block: 1 / 9 --- Block_size: 145 Use standard eigh solver. --- Eigsh_solver_block: 2 / 9 --- Block_size: 93 Use standard eigh solver. --- Eigsh_solver_block: 3 / 9 --- Block_size: 78 Use standard eigh solver. --- Eigsh_solver_block: 4 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 9 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (322, 316), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (78, 75), data: True |-- (93, 93), data: True |-- (145, 142), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:30:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:30:09]------------------------- 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): [3 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.514106069523752 0.000000000000000 0.000000000000000 b -1.757053034761876 3.043305127800652 0.000000000000000 c 0.000000000000000 0.000000000000000 4.559382270000000 Atomic positions (fractional): 1 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 2 H 0.66666666666667 0.33333333333333 0.45689397892035 1.008 3 H 0.33333333333333 0.66666666666667 0.54310602107965 1.008 4 O 0.66666666666667 0.33333333333333 0.24170398764537 15.999 5 O 0.33333333333333 0.66666666666667 0.75829601235463 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.542318208571256 0.000000000000000 0.000000000000000 b -5.271159104285628 9.129915383401956 0.000000000000000 c 0.000000000000000 0.000000000000000 13.678146810000001 Atomic positions (fractional): 1 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 1 2 Cd 0.33333333333333 0.00000000000000 0.00000000000000 112.411 > 1 3 Cd 0.66666666666667 0.00000000000000 0.00000000000000 112.411 > 1 4 Cd 0.00000000000000 0.33333333333333 0.00000000000000 112.411 > 1 5 Cd 0.33333333333333 0.33333333333333 0.00000000000000 112.411 > 1 6 Cd 0.66666666666667 0.33333333333333 0.00000000000000 112.411 > 1 7 Cd 0.00000000000000 0.66666666666667 0.00000000000000 112.411 > 1 8 Cd 0.33333333333333 0.66666666666667 0.00000000000000 112.411 > 1 9 Cd 0.66666666666667 0.66666666666667 0.00000000000000 112.411 > 1 10 Cd 0.00000000000000 0.00000000000000 0.33333333333333 112.411 > 1 11 Cd 0.33333333333333 0.00000000000000 0.33333333333333 112.411 > 1 12 Cd 0.66666666666667 0.00000000000000 0.33333333333333 112.411 > 1 13 Cd 0.00000000000000 0.33333333333333 0.33333333333333 112.411 > 1 14 Cd 0.33333333333333 0.33333333333333 0.33333333333333 112.411 > 1 15 Cd 0.66666666666667 0.33333333333333 0.33333333333333 112.411 > 1 16 Cd 0.00000000000000 0.66666666666667 0.33333333333333 112.411 > 1 17 Cd 0.33333333333333 0.66666666666667 0.33333333333333 112.411 > 1 18 Cd 0.66666666666667 0.66666666666667 0.33333333333333 112.411 > 1 19 Cd 0.00000000000000 0.00000000000000 0.66666666666667 112.411 > 1 20 Cd 0.33333333333333 0.00000000000000 0.66666666666667 112.411 > 1 21 Cd 0.66666666666667 0.00000000000000 0.66666666666667 112.411 > 1 22 Cd 0.00000000000000 0.33333333333333 0.66666666666667 112.411 > 1 23 Cd 0.33333333333333 0.33333333333333 0.66666666666667 112.411 > 1 24 Cd 0.66666666666667 0.33333333333333 0.66666666666667 112.411 > 1 25 Cd 0.00000000000000 0.66666666666667 0.66666666666667 112.411 > 1 26 Cd 0.33333333333333 0.66666666666667 0.66666666666667 112.411 > 1 27 Cd 0.66666666666667 0.66666666666667 0.66666666666667 112.411 > 1 28 H 0.22222222222222 0.11111111111111 0.15229799297345 1.008 > 28 29 H 0.55555555555556 0.11111111111111 0.15229799297345 1.008 > 28 30 H 0.88888888888889 0.11111111111111 0.15229799297345 1.008 > 28 31 H 0.22222222222222 0.44444444444444 0.15229799297345 1.008 > 28 32 H 0.55555555555556 0.44444444444444 0.15229799297345 1.008 > 28 33 H 0.88888888888889 0.44444444444444 0.15229799297345 1.008 > 28 34 H 0.22222222222222 0.77777777777778 0.15229799297345 1.008 > 28 35 H 0.55555555555556 0.77777777777778 0.15229799297345 1.008 > 28 36 H 0.88888888888889 0.77777777777778 0.15229799297345 1.008 > 28 37 H 0.22222222222222 0.11111111111111 0.48563132630678 1.008 > 28 38 H 0.55555555555556 0.11111111111111 0.48563132630678 1.008 > 28 39 H 0.88888888888889 0.11111111111111 0.48563132630678 1.008 > 28 40 H 0.22222222222222 0.44444444444444 0.48563132630678 1.008 > 28 41 H 0.55555555555556 0.44444444444444 0.48563132630678 1.008 > 28 42 H 0.88888888888889 0.44444444444444 0.48563132630678 1.008 > 28 43 H 0.22222222222222 0.77777777777778 0.48563132630678 1.008 > 28 44 H 0.55555555555556 0.77777777777778 0.48563132630678 1.008 > 28 45 H 0.88888888888889 0.77777777777778 0.48563132630678 1.008 > 28 46 H 0.22222222222222 0.11111111111111 0.81896465964012 1.008 > 28 47 H 0.55555555555556 0.11111111111111 0.81896465964012 1.008 > 28 48 H 0.88888888888889 0.11111111111111 0.81896465964012 1.008 > 28 49 H 0.22222222222222 0.44444444444444 0.81896465964012 1.008 > 28 50 H 0.55555555555556 0.44444444444444 0.81896465964012 1.008 > 28 51 H 0.88888888888889 0.44444444444444 0.81896465964012 1.008 > 28 52 H 0.22222222222222 0.77777777777778 0.81896465964012 1.008 > 28 53 H 0.55555555555556 0.77777777777778 0.81896465964012 1.008 > 28 54 H 0.88888888888889 0.77777777777778 0.81896465964012 1.008 > 28 55 H 0.11111111111111 0.22222222222222 0.18103534035988 1.008 > 55 56 H 0.44444444444444 0.22222222222222 0.18103534035988 1.008 > 55 57 H 0.77777777777778 0.22222222222222 0.18103534035988 1.008 > 55 58 H 0.11111111111111 0.55555555555556 0.18103534035988 1.008 > 55 59 H 0.44444444444444 0.55555555555556 0.18103534035988 1.008 > 55 60 H 0.77777777777778 0.55555555555556 0.18103534035988 1.008 > 55 61 H 0.11111111111111 0.88888888888889 0.18103534035988 1.008 > 55 62 H 0.44444444444444 0.88888888888889 0.18103534035988 1.008 > 55 63 H 0.77777777777778 0.88888888888889 0.18103534035988 1.008 > 55 64 H 0.11111111111111 0.22222222222222 0.51436867369322 1.008 > 55 65 H 0.44444444444444 0.22222222222222 0.51436867369322 1.008 > 55 66 H 0.77777777777778 0.22222222222222 0.51436867369322 1.008 > 55 67 H 0.11111111111111 0.55555555555556 0.51436867369322 1.008 > 55 68 H 0.44444444444444 0.55555555555556 0.51436867369322 1.008 > 55 69 H 0.77777777777778 0.55555555555556 0.51436867369322 1.008 > 55 70 H 0.11111111111111 0.88888888888889 0.51436867369322 1.008 > 55 71 H 0.44444444444444 0.88888888888889 0.51436867369322 1.008 > 55 72 H 0.77777777777778 0.88888888888889 0.51436867369322 1.008 > 55 73 H 0.11111111111111 0.22222222222222 0.84770200702655 1.008 > 55 74 H 0.44444444444444 0.22222222222222 0.84770200702655 1.008 > 55 75 H 0.77777777777778 0.22222222222222 0.84770200702655 1.008 > 55 76 H 0.11111111111111 0.55555555555556 0.84770200702655 1.008 > 55 77 H 0.44444444444444 0.55555555555556 0.84770200702655 1.008 > 55 78 H 0.77777777777778 0.55555555555556 0.84770200702655 1.008 > 55 79 H 0.11111111111111 0.88888888888889 0.84770200702655 1.008 > 55 80 H 0.44444444444444 0.88888888888889 0.84770200702655 1.008 > 55 81 H 0.77777777777778 0.88888888888889 0.84770200702655 1.008 > 55 82 O 0.22222222222222 0.11111111111111 0.08056799588179 15.999 > 82 83 O 0.55555555555556 0.11111111111111 0.08056799588179 15.999 > 82 84 O 0.88888888888889 0.11111111111111 0.08056799588179 15.999 > 82 85 O 0.22222222222222 0.44444444444444 0.08056799588179 15.999 > 82 86 O 0.55555555555556 0.44444444444444 0.08056799588179 15.999 > 82 87 O 0.88888888888889 0.44444444444444 0.08056799588179 15.999 > 82 88 O 0.22222222222222 0.77777777777778 0.08056799588179 15.999 > 82 89 O 0.55555555555556 0.77777777777778 0.08056799588179 15.999 > 82 90 O 0.88888888888889 0.77777777777778 0.08056799588179 15.999 > 82 91 O 0.22222222222222 0.11111111111111 0.41390132921512 15.999 > 82 92 O 0.55555555555556 0.11111111111111 0.41390132921512 15.999 > 82 93 O 0.88888888888889 0.11111111111111 0.41390132921512 15.999 > 82 94 O 0.22222222222222 0.44444444444444 0.41390132921512 15.999 > 82 95 O 0.55555555555556 0.44444444444444 0.41390132921512 15.999 > 82 96 O 0.88888888888889 0.44444444444444 0.41390132921512 15.999 > 82 97 O 0.22222222222222 0.77777777777778 0.41390132921512 15.999 > 82 98 O 0.55555555555556 0.77777777777778 0.41390132921512 15.999 > 82 99 O 0.88888888888889 0.77777777777778 0.41390132921512 15.999 > 82 100 O 0.22222222222222 0.11111111111111 0.74723466254846 15.999 > 82 101 O 0.55555555555556 0.11111111111111 0.74723466254846 15.999 > 82 102 O 0.88888888888889 0.11111111111111 0.74723466254846 15.999 > 82 103 O 0.22222222222222 0.44444444444444 0.74723466254846 15.999 > 82 104 O 0.55555555555556 0.44444444444444 0.74723466254846 15.999 > 82 105 O 0.88888888888889 0.44444444444444 0.74723466254846 15.999 > 82 106 O 0.22222222222222 0.77777777777778 0.74723466254846 15.999 > 82 107 O 0.55555555555556 0.77777777777778 0.74723466254846 15.999 > 82 108 O 0.88888888888889 0.77777777777778 0.74723466254846 15.999 > 82 109 O 0.11111111111111 0.22222222222222 0.25276533745154 15.999 > 109 110 O 0.44444444444444 0.22222222222222 0.25276533745154 15.999 > 109 111 O 0.77777777777778 0.22222222222222 0.25276533745154 15.999 > 109 112 O 0.11111111111111 0.55555555555556 0.25276533745154 15.999 > 109 113 O 0.44444444444444 0.55555555555556 0.25276533745154 15.999 > 109 114 O 0.77777777777778 0.55555555555556 0.25276533745154 15.999 > 109 115 O 0.11111111111111 0.88888888888889 0.25276533745154 15.999 > 109 116 O 0.44444444444444 0.88888888888889 0.25276533745154 15.999 > 109 117 O 0.77777777777778 0.88888888888889 0.25276533745154 15.999 > 109 118 O 0.11111111111111 0.22222222222222 0.58609867078488 15.999 > 109 119 O 0.44444444444444 0.22222222222222 0.58609867078488 15.999 > 109 120 O 0.77777777777778 0.22222222222222 0.58609867078488 15.999 > 109 121 O 0.11111111111111 0.55555555555556 0.58609867078488 15.999 > 109 122 O 0.44444444444444 0.55555555555556 0.58609867078488 15.999 > 109 123 O 0.77777777777778 0.55555555555556 0.58609867078488 15.999 > 109 124 O 0.11111111111111 0.88888888888889 0.58609867078488 15.999 > 109 125 O 0.44444444444444 0.88888888888889 0.58609867078488 15.999 > 109 126 O 0.77777777777778 0.88888888888889 0.58609867078488 15.999 > 109 127 O 0.11111111111111 0.22222222222222 0.91943200411821 15.999 > 109 128 O 0.44444444444444 0.22222222222222 0.91943200411821 15.999 > 109 129 O 0.77777777777778 0.22222222222222 0.91943200411821 15.999 > 109 130 O 0.11111111111111 0.55555555555556 0.91943200411821 15.999 > 109 131 O 0.44444444444444 0.55555555555556 0.91943200411821 15.999 > 109 132 O 0.77777777777778 0.55555555555556 0.91943200411821 15.999 > 109 133 O 0.11111111111111 0.88888888888889 0.91943200411821 15.999 > 109 134 O 0.44444444444444 0.88888888888889 0.91943200411821 15.999 > 109 135 O 0.77777777777778 0.88888888888889 0.91943200411821 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9418576 0.0000000 0.0000000 0.0000000 3.9418576 0.0000000 0.0000000 0.0000000 3.1332739 -------------------------- Born effective charges -------------------------- 1 Cd 2.5078031 0.0000000 0.0000000 0.0000000 2.5078031 0.0000000 0.0000000 0.0000000 1.9687897 2 H 0.3761494 0.0000000 0.0000000 0.0000000 0.3761494 0.0000000 0.0000000 0.0000000 0.4094981 3 H 0.3761494 0.0000000 0.0000000 0.0000000 0.3761494 0.0000000 0.0000000 0.0000000 0.4094981 4 O -1.6300509 -0.0000000 0.0000000 0.0000000 -1.6300509 0.0000000 0.0000000 0.0000000 -1.3938929 5 O -1.6300509 -0.0000000 0.0000000 0.0000000 -1.6300509 0.0000000 0.0000000 0.0000000 -1.3938929 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, 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] Computing fc3[ 82, 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: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) 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 20:30:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:30:17]------------------------- 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): [3 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.514106069523752 0.000000000000000 0.000000000000000 b -1.757053034761876 3.043305127800652 0.000000000000000 c 0.000000000000000 0.000000000000000 4.559382270000000 Atomic positions (fractional): 1 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 2 H 0.66666666666667 0.33333333333333 0.45689397892035 1.008 3 H 0.33333333333333 0.66666666666667 0.54310602107965 1.008 4 O 0.66666666666667 0.33333333333333 0.24170398764537 15.999 5 O 0.33333333333333 0.66666666666667 0.75829601235463 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.542318208571256 0.000000000000000 0.000000000000000 b -5.271159104285628 9.129915383401956 0.000000000000000 c 0.000000000000000 0.000000000000000 13.678146810000001 Atomic positions (fractional): 1 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 1 2 Cd 0.33333333333333 0.00000000000000 0.00000000000000 112.411 > 1 3 Cd 0.66666666666667 0.00000000000000 0.00000000000000 112.411 > 1 4 Cd 0.00000000000000 0.33333333333333 0.00000000000000 112.411 > 1 5 Cd 0.33333333333333 0.33333333333333 0.00000000000000 112.411 > 1 6 Cd 0.66666666666667 0.33333333333333 0.00000000000000 112.411 > 1 7 Cd 0.00000000000000 0.66666666666667 0.00000000000000 112.411 > 1 8 Cd 0.33333333333333 0.66666666666667 0.00000000000000 112.411 > 1 9 Cd 0.66666666666667 0.66666666666667 0.00000000000000 112.411 > 1 10 Cd 0.00000000000000 0.00000000000000 0.33333333333333 112.411 > 1 11 Cd 0.33333333333333 0.00000000000000 0.33333333333333 112.411 > 1 12 Cd 0.66666666666667 0.00000000000000 0.33333333333333 112.411 > 1 13 Cd 0.00000000000000 0.33333333333333 0.33333333333333 112.411 > 1 14 Cd 0.33333333333333 0.33333333333333 0.33333333333333 112.411 > 1 15 Cd 0.66666666666667 0.33333333333333 0.33333333333333 112.411 > 1 16 Cd 0.00000000000000 0.66666666666667 0.33333333333333 112.411 > 1 17 Cd 0.33333333333333 0.66666666666667 0.33333333333333 112.411 > 1 18 Cd 0.66666666666667 0.66666666666667 0.33333333333333 112.411 > 1 19 Cd 0.00000000000000 0.00000000000000 0.66666666666667 112.411 > 1 20 Cd 0.33333333333333 0.00000000000000 0.66666666666667 112.411 > 1 21 Cd 0.66666666666667 0.00000000000000 0.66666666666667 112.411 > 1 22 Cd 0.00000000000000 0.33333333333333 0.66666666666667 112.411 > 1 23 Cd 0.33333333333333 0.33333333333333 0.66666666666667 112.411 > 1 24 Cd 0.66666666666667 0.33333333333333 0.66666666666667 112.411 > 1 25 Cd 0.00000000000000 0.66666666666667 0.66666666666667 112.411 > 1 26 Cd 0.33333333333333 0.66666666666667 0.66666666666667 112.411 > 1 27 Cd 0.66666666666667 0.66666666666667 0.66666666666667 112.411 > 1 28 H 0.22222222222222 0.11111111111111 0.15229799297345 1.008 > 28 29 H 0.55555555555556 0.11111111111111 0.15229799297345 1.008 > 28 30 H 0.88888888888889 0.11111111111111 0.15229799297345 1.008 > 28 31 H 0.22222222222222 0.44444444444444 0.15229799297345 1.008 > 28 32 H 0.55555555555556 0.44444444444444 0.15229799297345 1.008 > 28 33 H 0.88888888888889 0.44444444444444 0.15229799297345 1.008 > 28 34 H 0.22222222222222 0.77777777777778 0.15229799297345 1.008 > 28 35 H 0.55555555555556 0.77777777777778 0.15229799297345 1.008 > 28 36 H 0.88888888888889 0.77777777777778 0.15229799297345 1.008 > 28 37 H 0.22222222222222 0.11111111111111 0.48563132630678 1.008 > 28 38 H 0.55555555555556 0.11111111111111 0.48563132630678 1.008 > 28 39 H 0.88888888888889 0.11111111111111 0.48563132630678 1.008 > 28 40 H 0.22222222222222 0.44444444444444 0.48563132630678 1.008 > 28 41 H 0.55555555555556 0.44444444444444 0.48563132630678 1.008 > 28 42 H 0.88888888888889 0.44444444444444 0.48563132630678 1.008 > 28 43 H 0.22222222222222 0.77777777777778 0.48563132630678 1.008 > 28 44 H 0.55555555555556 0.77777777777778 0.48563132630678 1.008 > 28 45 H 0.88888888888889 0.77777777777778 0.48563132630678 1.008 > 28 46 H 0.22222222222222 0.11111111111111 0.81896465964012 1.008 > 28 47 H 0.55555555555556 0.11111111111111 0.81896465964012 1.008 > 28 48 H 0.88888888888889 0.11111111111111 0.81896465964012 1.008 > 28 49 H 0.22222222222222 0.44444444444444 0.81896465964012 1.008 > 28 50 H 0.55555555555556 0.44444444444444 0.81896465964012 1.008 > 28 51 H 0.88888888888889 0.44444444444444 0.81896465964012 1.008 > 28 52 H 0.22222222222222 0.77777777777778 0.81896465964012 1.008 > 28 53 H 0.55555555555556 0.77777777777778 0.81896465964012 1.008 > 28 54 H 0.88888888888889 0.77777777777778 0.81896465964012 1.008 > 28 55 H 0.11111111111111 0.22222222222222 0.18103534035988 1.008 > 55 56 H 0.44444444444444 0.22222222222222 0.18103534035988 1.008 > 55 57 H 0.77777777777778 0.22222222222222 0.18103534035988 1.008 > 55 58 H 0.11111111111111 0.55555555555556 0.18103534035988 1.008 > 55 59 H 0.44444444444444 0.55555555555556 0.18103534035988 1.008 > 55 60 H 0.77777777777778 0.55555555555556 0.18103534035988 1.008 > 55 61 H 0.11111111111111 0.88888888888889 0.18103534035988 1.008 > 55 62 H 0.44444444444444 0.88888888888889 0.18103534035988 1.008 > 55 63 H 0.77777777777778 0.88888888888889 0.18103534035988 1.008 > 55 64 H 0.11111111111111 0.22222222222222 0.51436867369322 1.008 > 55 65 H 0.44444444444444 0.22222222222222 0.51436867369322 1.008 > 55 66 H 0.77777777777778 0.22222222222222 0.51436867369322 1.008 > 55 67 H 0.11111111111111 0.55555555555556 0.51436867369322 1.008 > 55 68 H 0.44444444444444 0.55555555555556 0.51436867369322 1.008 > 55 69 H 0.77777777777778 0.55555555555556 0.51436867369322 1.008 > 55 70 H 0.11111111111111 0.88888888888889 0.51436867369322 1.008 > 55 71 H 0.44444444444444 0.88888888888889 0.51436867369322 1.008 > 55 72 H 0.77777777777778 0.88888888888889 0.51436867369322 1.008 > 55 73 H 0.11111111111111 0.22222222222222 0.84770200702655 1.008 > 55 74 H 0.44444444444444 0.22222222222222 0.84770200702655 1.008 > 55 75 H 0.77777777777778 0.22222222222222 0.84770200702655 1.008 > 55 76 H 0.11111111111111 0.55555555555556 0.84770200702655 1.008 > 55 77 H 0.44444444444444 0.55555555555556 0.84770200702655 1.008 > 55 78 H 0.77777777777778 0.55555555555556 0.84770200702655 1.008 > 55 79 H 0.11111111111111 0.88888888888889 0.84770200702655 1.008 > 55 80 H 0.44444444444444 0.88888888888889 0.84770200702655 1.008 > 55 81 H 0.77777777777778 0.88888888888889 0.84770200702655 1.008 > 55 82 O 0.22222222222222 0.11111111111111 0.08056799588179 15.999 > 82 83 O 0.55555555555556 0.11111111111111 0.08056799588179 15.999 > 82 84 O 0.88888888888889 0.11111111111111 0.08056799588179 15.999 > 82 85 O 0.22222222222222 0.44444444444444 0.08056799588179 15.999 > 82 86 O 0.55555555555556 0.44444444444444 0.08056799588179 15.999 > 82 87 O 0.88888888888889 0.44444444444444 0.08056799588179 15.999 > 82 88 O 0.22222222222222 0.77777777777778 0.08056799588179 15.999 > 82 89 O 0.55555555555556 0.77777777777778 0.08056799588179 15.999 > 82 90 O 0.88888888888889 0.77777777777778 0.08056799588179 15.999 > 82 91 O 0.22222222222222 0.11111111111111 0.41390132921512 15.999 > 82 92 O 0.55555555555556 0.11111111111111 0.41390132921512 15.999 > 82 93 O 0.88888888888889 0.11111111111111 0.41390132921512 15.999 > 82 94 O 0.22222222222222 0.44444444444444 0.41390132921512 15.999 > 82 95 O 0.55555555555556 0.44444444444444 0.41390132921512 15.999 > 82 96 O 0.88888888888889 0.44444444444444 0.41390132921512 15.999 > 82 97 O 0.22222222222222 0.77777777777778 0.41390132921512 15.999 > 82 98 O 0.55555555555556 0.77777777777778 0.41390132921512 15.999 > 82 99 O 0.88888888888889 0.77777777777778 0.41390132921512 15.999 > 82 100 O 0.22222222222222 0.11111111111111 0.74723466254846 15.999 > 82 101 O 0.55555555555556 0.11111111111111 0.74723466254846 15.999 > 82 102 O 0.88888888888889 0.11111111111111 0.74723466254846 15.999 > 82 103 O 0.22222222222222 0.44444444444444 0.74723466254846 15.999 > 82 104 O 0.55555555555556 0.44444444444444 0.74723466254846 15.999 > 82 105 O 0.88888888888889 0.44444444444444 0.74723466254846 15.999 > 82 106 O 0.22222222222222 0.77777777777778 0.74723466254846 15.999 > 82 107 O 0.55555555555556 0.77777777777778 0.74723466254846 15.999 > 82 108 O 0.88888888888889 0.77777777777778 0.74723466254846 15.999 > 82 109 O 0.11111111111111 0.22222222222222 0.25276533745154 15.999 > 109 110 O 0.44444444444444 0.22222222222222 0.25276533745154 15.999 > 109 111 O 0.77777777777778 0.22222222222222 0.25276533745154 15.999 > 109 112 O 0.11111111111111 0.55555555555556 0.25276533745154 15.999 > 109 113 O 0.44444444444444 0.55555555555556 0.25276533745154 15.999 > 109 114 O 0.77777777777778 0.55555555555556 0.25276533745154 15.999 > 109 115 O 0.11111111111111 0.88888888888889 0.25276533745154 15.999 > 109 116 O 0.44444444444444 0.88888888888889 0.25276533745154 15.999 > 109 117 O 0.77777777777778 0.88888888888889 0.25276533745154 15.999 > 109 118 O 0.11111111111111 0.22222222222222 0.58609867078488 15.999 > 109 119 O 0.44444444444444 0.22222222222222 0.58609867078488 15.999 > 109 120 O 0.77777777777778 0.22222222222222 0.58609867078488 15.999 > 109 121 O 0.11111111111111 0.55555555555556 0.58609867078488 15.999 > 109 122 O 0.44444444444444 0.55555555555556 0.58609867078488 15.999 > 109 123 O 0.77777777777778 0.55555555555556 0.58609867078488 15.999 > 109 124 O 0.11111111111111 0.88888888888889 0.58609867078488 15.999 > 109 125 O 0.44444444444444 0.88888888888889 0.58609867078488 15.999 > 109 126 O 0.77777777777778 0.88888888888889 0.58609867078488 15.999 > 109 127 O 0.11111111111111 0.22222222222222 0.91943200411821 15.999 > 109 128 O 0.44444444444444 0.22222222222222 0.91943200411821 15.999 > 109 129 O 0.77777777777778 0.22222222222222 0.91943200411821 15.999 > 109 130 O 0.11111111111111 0.55555555555556 0.91943200411821 15.999 > 109 131 O 0.44444444444444 0.55555555555556 0.91943200411821 15.999 > 109 132 O 0.77777777777778 0.55555555555556 0.91943200411821 15.999 > 109 133 O 0.11111111111111 0.88888888888889 0.91943200411821 15.999 > 109 134 O 0.44444444444444 0.88888888888889 0.91943200411821 15.999 > 109 135 O 0.77777777777778 0.88888888888889 0.91943200411821 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9418576 0.0000000 0.0000000 0.0000000 3.9418576 0.0000000 0.0000000 0.0000000 3.1332739 -------------------------- Born effective charges -------------------------- 1 Cd 2.5078031 0.0000000 0.0000000 0.0000000 2.5078031 0.0000000 0.0000000 0.0000000 1.9687897 2 H 0.3761494 0.0000000 0.0000000 0.0000000 0.3761494 0.0000000 0.0000000 0.0000000 0.4094981 3 H 0.3761494 0.0000000 0.0000000 0.0000000 0.3761494 0.0000000 0.0000000 0.0000000 0.4094981 4 O -1.6300509 -0.0000000 0.0000000 0.0000000 -1.6300509 0.0000000 0.0000000 0.0000000 -1.3938929 5 O -1.6300509 -0.0000000 0.0000000 0.0000000 -1.6300509 0.0000000 0.0000000 0.0000000 -1.3938929 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 16 16 11 ] 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: 1.14, Number of G-points: 287, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/285) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 285 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 7.064 ( 0.000 0.000 0.000) 0.000 7.064 ( 0.000 0.000 0.000) 0.000 7.673 ( 0.000 0.000 0.000) 0.000 7.673 ( 0.000 0.000 0.000) 0.000 8.408 ( 0.000 0.000 0.000) 0.000 11.433 ( 0.000 0.000 0.000) 0.000 12.244 ( 0.000 0.000 0.000) 0.000 12.244 ( 0.000 0.000 0.000) 0.000 23.478 ( 0.000 0.000 0.000) 0.000 23.478 ( 0.000 0.000 0.000) 0.000 107.826 ( 0.000 0.000 0.000) 0.000 108.833 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/285) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( 13.763 7.946 0.778) 15.911 0.440 ( 18.522 10.693 -0.558) 21.394 0.976 ( 40.725 23.513 0.085) 47.025 6.952 ( -7.955 -4.593 5.501) 10.707 7.143 ( 6.421 3.707 -3.639) 8.259 7.800 ( 9.184 5.302 -4.495) 11.518 8.373 ( -3.185 -1.839 7.759) 8.587 8.908 ( 4.794 2.768 -5.304) 7.666 11.404 ( -2.392 -1.381 -0.013) 2.762 12.133 ( -9.193 -5.308 2.431) 10.890 16.886 ( 2.066 1.193 -3.189) 3.982 23.517 ( 3.219 1.859 3.060) 4.815 23.566 ( 7.306 4.218 -1.841) 8.635 107.830 ( 0.388 0.224 0.003) 0.448 108.815 ( -1.543 -0.891 -0.005) 1.782 ======================= Grid point 2 (3/285) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 15.950 9.209 0.030) 18.417 0.877 ( 18.212 10.515 0.061) 21.030 1.921 ( 38.780 22.390 0.236) 44.780 6.741 ( -9.269 -5.351 6.969) 12.772 7.345 ( 9.907 5.720 -5.851) 12.849 8.052 ( 11.445 6.607 -4.950) 14.112 8.250 ( -7.084 -4.090 5.908) 10.090 9.089 ( 10.404 6.007 -2.225) 12.218 11.328 ( -3.741 -2.160 -0.036) 4.319 11.820 ( -16.803 -9.701 3.523) 19.719 16.952 ( 3.329 1.922 -4.202) 5.695 23.627 ( 5.950 3.435 4.278) 8.093 23.812 ( 13.115 7.572 -3.035) 15.444 107.844 ( 0.754 0.435 0.023) 0.871 108.762 ( -2.827 -1.632 -0.023) 3.264 ======================= Grid point 3 (4/285) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 16.888 9.750 -0.666) 19.512 1.300 ( 17.388 10.039 0.837) 20.095 2.803 ( 35.281 20.370 0.314) 40.740 6.523 ( -9.090 -5.248 7.244) 12.753 7.580 ( 9.216 5.321 -5.035) 11.773 8.052 ( -9.060 -5.231 0.696) 10.485 8.327 ( 11.482 6.629 -4.223) 13.915 9.388 ( 14.400 8.314 1.400) 16.686 11.240 ( -3.406 -1.966 0.115) 3.934 11.358 ( -21.587 -12.463 2.729) 25.076 17.034 ( 3.448 1.990 -2.348) 4.622 23.791 ( 7.755 4.477 3.033) 9.454 24.169 ( 16.484 9.517 -3.355) 19.327 107.866 ( 1.072 0.619 0.066) 1.240 108.684 ( -3.659 -2.113 -0.058) 4.226 ======================= Grid point 4 (5/285) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 15.897 9.178 -1.164) 18.393 1.695 ( 15.783 9.113 1.487) 18.286 3.580 ( 30.030 17.338 0.177) 34.676 6.307 ( -9.162 -5.289 7.060) 12.718 7.702 ( -2.821 -1.629 1.021) 3.414 7.897 ( -0.059 -0.034 -6.173) 6.173 8.589 ( 10.542 6.087 -3.192) 12.584 9.750 ( 15.584 8.997 1.607) 18.066 10.825 ( -22.731 -13.124 0.547) 26.253 11.180 ( -1.429 -0.825 0.609) 1.760 17.108 ( 2.627 1.517 1.261) 3.285 23.985 ( 8.335 4.812 0.237) 9.628 24.573 ( 17.141 9.896 -2.994) 20.018 107.894 ( 1.308 0.755 0.123) 1.515 108.593 ( -3.956 -2.284 -0.106) 4.570 ======================= Grid point 5 (6/285) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 13.180 7.609 -1.443) 15.287 2.041 ( 13.263 7.657 1.778) 15.417 4.214 ( 23.127 13.353 -0.176) 26.706 6.084 ( -9.667 -5.581 6.341) 12.838 7.527 ( -8.484 -4.898 -0.047) 9.796 7.980 ( 3.883 2.242 -3.647) 5.780 8.821 ( 8.843 5.106 -2.141) 10.433 10.104 ( 13.817 7.977 -0.067) 15.954 10.311 ( -20.017 -11.557 -1.745) 23.180 11.178 ( 1.268 0.732 1.225) 1.909 17.156 ( 1.411 0.814 4.537) 4.820 24.176 ( 7.616 4.397 -2.394) 9.114 24.962 ( 15.288 8.826 -2.287) 17.800 107.927 ( 1.414 0.817 0.172) 1.642 108.501 ( -3.723 -2.150 -0.148) 4.302 ======================= Grid point 6 (7/285) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 9.232 5.330 -1.402) 10.752 2.317 ( 9.790 5.652 1.593) 11.416 4.669 ( 15.240 8.799 -0.506) 17.605 5.855 ( -9.334 -5.389 4.820) 11.807 7.349 ( -6.153 -3.552 -0.393) 7.115 8.048 ( 1.846 1.066 -1.451) 2.579 9.003 ( 6.443 3.720 -1.207) 7.537 9.900 ( -14.290 -8.250 -2.799) 16.736 10.389 ( 9.997 5.772 -1.272) 11.614 11.232 ( 2.957 1.707 1.359) 3.675 17.176 ( 0.391 0.226 5.619) 5.637 24.337 ( 5.758 3.324 -3.416) 7.475 25.281 ( 11.391 6.576 -1.494) 13.237 107.960 ( 1.310 0.756 0.184) 1.524 108.420 ( -2.989 -1.726 -0.160) 3.455 ======================= Grid point 7 (8/285) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 4.680 2.702 -0.899) 5.478 2.498 ( 5.314 3.068 0.947) 6.209 4.937 ( 7.382 4.262 -0.461) 8.536 5.665 ( -6.161 -3.557 2.568) 7.564 7.241 ( -3.016 -1.742 -0.171) 3.487 8.074 ( 0.546 0.315 -0.424) 0.760 9.121 ( 3.445 1.989 -0.470) 4.005 9.644 ( -7.244 -4.182 -2.058) 8.614 10.571 ( 5.234 3.022 -1.071) 6.138 11.300 ( 2.341 1.352 0.810) 2.822 17.179 ( -0.054 -0.031 3.817) 3.818 24.443 ( 3.087 1.782 -2.393) 4.293 25.491 ( 6.063 3.500 -0.728) 7.038 107.986 ( 0.855 0.494 0.127) 0.996 108.363 ( -1.732 -1.000 -0.113) 2.004 ======================= Grid point 8 (9/285) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 401 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 0.000 0.000 -0.000) 0.000 2.562 ( 0.000 0.000 -0.000) 0.000 5.024 ( 0.000 0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 7.205 ( 0.000 0.000 -0.000) 0.000 8.080 ( 0.000 0.000 -0.000) 0.000 9.163 ( 0.000 0.000 0.000) 0.000 9.558 ( 0.000 0.000 -0.000) 0.000 10.633 ( 0.000 0.000 0.000) 0.000 11.329 ( 0.000 0.000 0.000) 0.000 17.178 ( 0.000 0.000 0.000) 0.000 24.480 ( 0.000 0.000 -0.000) 0.000 25.563 ( 0.000 0.000 0.000) 0.000 107.997 ( 0.000 0.000 -0.000) 0.000 108.342 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 18 (10/285) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 8.806 15.253 0.000) 17.613 0.788 ( 11.551 20.006 0.000) 23.102 1.661 ( 22.292 38.610 0.000) 44.583 6.986 ( -1.691 -2.928 0.000) 3.381 7.044 ( 0.045 0.079 0.000) 0.091 7.966 ( 3.299 5.713 0.000) 6.597 8.403 ( 3.395 5.881 0.000) 6.791 8.988 ( 3.372 5.841 0.000) 6.744 11.351 ( -2.057 -3.563 0.000) 4.115 11.918 ( -8.832 -15.298 0.000) 17.664 16.938 ( 2.162 3.744 0.000) 4.323 23.497 ( 0.259 0.449 0.000) 0.518 23.822 ( 9.321 16.145 0.000) 18.643 107.839 ( 0.382 0.661 0.000) 0.764 108.779 ( -1.456 -2.522 0.000) 2.913 ======================= Grid point 19 (11/285) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 12.925 13.845 -0.242) 18.942 1.211 ( 12.164 20.474 0.282) 23.817 2.472 ( 28.367 29.640 0.176) 41.027 6.766 ( -17.106 6.323 6.732) 19.440 7.248 ( 20.784 -10.786 -6.127) 24.204 7.955 ( -1.674 -8.328 0.329) 8.501 8.589 ( -2.999 25.393 -1.530) 25.616 9.184 ( 13.627 3.560 0.580) 14.096 11.268 ( -2.853 -3.497 -0.014) 4.514 11.524 ( -15.177 -18.682 1.764) 24.135 17.031 ( 2.545 5.741 -1.783) 6.528 23.546 ( 7.910 -5.690 1.036) 9.799 24.198 ( 9.469 23.744 -0.817) 25.575 107.857 ( 0.733 0.859 0.026) 1.130 108.714 ( -2.590 -3.001 -0.024) 3.964 ======================= Grid point 20 (12/285) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 14.188 11.709 -0.684) 18.408 1.629 ( 10.583 20.946 0.857) 23.484 3.250 ( 28.483 22.299 0.213) 36.174 6.531 ( -16.005 5.200 6.908) 18.191 7.511 ( 20.675 -11.018 -5.550) 24.076 7.787 ( -5.138 -10.794 0.272) 11.957 8.776 ( -5.643 25.992 -3.639) 26.845 9.524 ( 18.246 5.263 2.159) 19.113 11.021 ( -18.231 -19.642 0.811) 26.811 11.193 ( -1.919 -2.622 0.608) 3.306 17.137 ( 1.126 8.157 -0.187) 8.236 23.650 ( 13.794 -12.096 0.221) 18.348 24.630 ( 8.423 28.555 -1.550) 29.811 107.883 ( 1.018 1.037 0.075) 1.455 108.629 ( -3.246 -3.174 -0.065) 4.540 ======================= Grid point 21 (13/285) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 13.448 8.503 -0.940) 15.939 2.009 ( 7.937 20.574 1.242) 22.087 3.925 ( 25.093 15.670 0.010) 29.584 6.297 ( -15.498 3.481 6.564) 17.187 7.570 ( -4.280 -12.782 -1.497) 13.562 7.744 ( 14.776 -7.178 -2.908) 16.682 8.930 ( -3.777 20.567 -2.821) 21.101 9.899 ( 16.608 5.382 0.890) 17.481 10.504 ( -17.529 -16.854 -0.900) 24.334 11.159 ( 0.492 -1.279 1.113) 1.766 17.231 ( -1.612 10.815 2.840) 11.297 23.778 ( 17.959 -18.476 -1.578) 25.815 25.064 ( 5.665 30.775 -1.878) 31.349 107.914 ( 1.190 1.183 0.131) 1.683 108.538 ( -3.370 -3.060 -0.112) 4.553 ======================= Grid point 22 (14/285) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 11.293 4.382 -0.976) 12.153 2.325 ( 4.500 19.108 1.264) 19.671 4.451 ( 19.293 9.459 -0.333) 21.490 6.052 ( -14.844 1.704 5.479) 15.914 7.376 ( -4.169 -9.387 -0.953) 10.315 7.895 ( 10.589 -7.716 -1.884) 13.237 9.065 ( -1.804 15.372 -1.655) 15.565 10.010 ( -9.448 -13.886 -2.241) 16.945 10.273 ( 8.435 5.651 -0.915) 10.194 11.183 ( 3.028 -0.397 1.567) 3.433 17.299 ( -4.818 13.425 4.975) 15.106 23.901 ( 20.403 -24.372 -2.927) 31.920 25.446 ( 1.229 30.832 -1.738) 30.905 107.948 ( 1.179 1.272 0.167) 1.743 108.451 ( -2.964 -2.709 -0.145) 4.018 ======================= Grid point 23 (15/285) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 8.353 -0.119 -0.773) 8.389 2.554 ( 0.394 16.624 0.942) 16.655 4.800 ( 12.295 3.762 -0.495) 12.867 5.822 ( -12.281 1.664 3.567) 12.897 7.238 ( -1.904 -6.901 -0.412) 7.171 7.968 ( 6.919 -7.810 -0.926) 10.475 9.175 ( -1.548 11.478 -0.791) 11.609 9.719 ( -8.102 -8.201 -2.399) 11.775 10.485 ( 7.867 3.235 -1.264) 8.599 11.245 ( 3.975 -0.665 1.313) 4.239 17.337 ( -7.573 15.564 4.680) 17.931 23.997 ( 21.127 -29.209 -2.798) 36.157 25.728 ( -4.483 29.179 -1.210) 29.546 107.980 ( 0.869 1.233 0.154) 1.516 108.380 ( -2.013 -2.141 -0.136) 2.942 ======================= Grid point 24 (16/285) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 4.997 -3.983 -0.302) 6.398 2.675 ( -4.352 13.545 0.352) 14.232 4.968 ( 5.293 -1.184 -0.235) 5.429 5.676 ( -6.941 4.359 1.209) 8.285 7.168 ( 0.912 -4.929 -0.077) 5.014 7.992 ( 5.164 -8.036 -0.278) 9.556 9.238 ( -3.179 8.745 -0.212) 9.307 9.567 ( -2.723 -2.575 -0.990) 3.876 10.602 ( 3.419 -0.111 -0.559) 3.466 11.294 ( 2.709 -1.953 0.483) 3.375 17.352 ( -9.266 16.717 1.906) 19.209 24.049 ( 20.243 -32.464 -1.144) 38.275 25.877 ( -10.889 26.276 -0.432) 28.446 108.001 ( 0.118 0.929 0.066) 0.938 108.340 ( -0.477 -1.298 -0.059) 1.384 ======================= Grid point 35 (17/285) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 8.926 15.461 0.000) 17.852 1.662 ( 12.964 22.455 0.000) 25.928 3.096 ( 17.526 30.355 0.000) 35.051 6.905 ( -0.231 -0.400 0.000) 0.462 7.047 ( -0.859 -1.487 0.000) 1.717 7.786 ( -4.687 -8.119 0.000) 9.375 9.096 ( 11.919 20.645 0.000) 23.838 9.267 ( 4.064 7.040 0.000) 8.129 11.081 ( -13.648 -23.639 0.000) 27.295 11.195 ( -1.962 -3.398 0.000) 3.924 17.179 ( 4.859 8.416 0.000) 9.718 23.446 ( -2.271 -3.934 0.000) 4.542 24.711 ( 14.816 25.663 0.000) 29.633 107.879 ( 0.722 1.251 0.000) 1.445 108.642 ( -2.261 -3.916 0.000) 4.522 ======================= Grid point 36 (18/285) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 10.052 11.244 -0.305) 15.085 2.108 ( 9.551 24.504 0.421) 26.303 3.695 ( 19.856 20.734 0.044) 28.709 6.693 ( -20.828 9.352 6.275) 23.677 7.201 ( 19.084 -16.960 -5.880) 26.200 7.639 ( -2.952 -5.350 0.469) 6.129 9.266 ( -8.224 20.259 -2.733) 22.035 9.624 ( 20.215 5.143 1.909) 20.946 10.592 ( -14.323 -20.772 -0.330) 25.234 11.139 ( -0.669 -2.423 0.585) 2.580 17.364 ( 2.866 13.665 0.897) 13.991 23.381 ( 4.939 -13.671 -0.591) 14.548 25.231 ( 11.539 29.074 -0.677) 31.288 107.908 ( 0.987 1.438 0.049) 1.745 108.557 ( -2.754 -3.809 -0.042) 4.701 ======================= Grid point 37 (19/285) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 9.378 5.675 -0.405) 10.969 2.491 ( 4.586 25.241 0.657) 25.663 4.210 ( 18.756 11.877 -0.127) 22.201 6.405 ( -19.907 5.551 5.553) 21.399 7.262 ( 5.796 -14.638 -3.711) 16.175 7.621 ( 7.489 -6.449 -0.316) 9.888 9.322 ( -6.589 16.842 -1.713) 18.166 9.923 ( 6.857 -5.381 -0.440) 8.728 10.238 ( -3.418 -5.407 -0.924) 6.463 11.126 ( 1.702 -1.882 1.336) 2.868 17.550 ( -1.664 19.898 2.920) 20.180 23.337 ( 11.648 -23.674 -1.858) 26.450 25.702 ( 6.752 30.120 -1.094) 30.887 107.943 ( 1.107 1.622 0.100) 1.966 108.470 ( -2.743 -3.500 -0.087) 4.447 ======================= Grid point 38 (20/285) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 7.866 -0.899 -0.323) 7.924 2.781 ( -0.715 24.234 0.623) 24.253 4.594 ( 14.805 4.346 -0.341) 15.433 6.117 ( -17.063 3.634 3.959) 17.890 7.175 ( -0.238 -9.234 -1.193) 9.314 7.701 ( 10.395 -11.299 -1.225) 15.402 9.380 ( -5.133 14.690 -0.972) 15.591 9.762 ( -6.576 -8.813 -1.806) 11.143 10.363 ( 9.000 2.856 -1.073) 9.503 11.156 ( 3.803 -2.285 1.646) 4.732 17.704 ( -7.512 25.708 3.963) 27.074 23.307 ( 17.373 -32.439 -2.543) 36.886 26.076 ( 0.716 29.151 -1.086) 29.180 107.979 ( 0.971 1.766 0.127) 2.019 108.391 ( -2.194 -3.056 -0.112) 3.764 ======================= Grid point 39 (21/285) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 6.696 -6.921 -0.161) 9.631 2.960 ( -5.929 21.929 0.374) 22.719 4.821 ( 9.242 -1.642 -0.306) 9.392 5.900 ( -11.830 5.326 1.944) 13.119 7.091 ( 0.459 -6.769 -0.165) 6.787 7.746 ( 9.165 -13.449 -0.912) 16.301 9.434 ( -5.200 13.194 -0.552) 14.193 9.608 ( -4.519 -1.830 -1.070) 4.991 10.511 ( 6.112 -0.840 -0.918) 6.237 11.201 ( 4.194 -3.547 1.086) 5.599 17.805 ( -13.129 29.443 2.844) 32.363 23.289 ( 21.470 -38.404 -1.842) 44.036 26.316 ( -6.146 26.618 -0.667) 27.327 108.010 ( 0.383 1.729 0.098) 1.774 108.333 ( -0.999 -2.438 -0.088) 2.636 ======================= Grid point 40 (22/285) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 5.697 -9.868 -0.000) 11.395 3.020 ( -11.021 19.088 -0.000) 22.041 4.894 ( 3.392 -5.875 0.000) 6.784 5.821 ( -5.217 9.035 -0.000) 10.433 7.060 ( 2.959 -5.126 -0.000) 5.919 7.758 ( 8.202 -14.207 0.000) 16.405 9.457 ( -6.949 12.036 -0.000) 13.898 9.559 ( -1.156 2.002 0.000) 2.312 10.561 ( 2.256 -3.908 0.000) 4.512 11.222 ( 2.834 -4.908 -0.000) 5.668 17.840 ( -17.162 29.726 -0.000) 34.325 23.283 ( 23.290 -40.339 0.000) 46.579 26.398 ( -13.263 22.973 0.000) 26.527 108.024 ( -0.729 1.263 -0.000) 1.459 108.311 ( 0.848 -1.468 0.000) 1.696 ======================= Grid point 53 (23/285) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 4.836 8.375 0.000) 9.671 2.597 ( 12.928 22.393 0.000) 25.857 4.091 ( 10.133 17.550 0.000) 20.265 6.775 ( -6.577 -11.392 0.000) 13.155 6.952 ( 1.227 2.125 0.000) 2.454 7.537 ( -2.703 -4.682 0.000) 5.406 9.539 ( 3.619 6.269 0.000) 7.239 9.764 ( 3.779 6.545 0.000) 7.557 10.244 ( -5.887 -10.197 0.000) 11.775 11.099 ( -0.825 -1.429 0.000) 1.651 17.681 ( 9.655 16.722 0.000) 19.309 23.097 ( -7.964 -13.794 0.000) 15.928 25.799 ( 14.865 25.747 0.000) 29.730 107.941 ( 1.027 1.780 0.000) 2.055 108.476 ( -2.304 -3.990 0.000) 4.607 ======================= Grid point 54 (24/285) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 3.788 0.518 -0.053) 3.824 3.005 ( 5.759 23.892 0.222) 24.577 4.409 ( 11.008 7.474 -0.119) 13.306 6.451 ( -16.822 -2.628 2.865) 17.266 7.043 ( 5.804 -5.291 -1.996) 8.104 7.456 ( 2.353 -9.515 -0.351) 9.808 9.610 ( -4.116 11.037 -0.657) 11.798 9.758 ( -1.294 -6.480 -0.440) 6.623 10.249 ( 6.135 3.115 -0.491) 6.898 11.083 ( 1.181 -2.276 0.835) 2.696 18.029 ( 3.991 26.093 1.621) 26.446 22.822 ( 0.409 -26.191 -1.123) 26.218 26.273 ( 8.748 25.048 -0.426) 26.535 107.980 ( 1.120 2.018 0.049) 2.308 108.396 ( -2.220 -3.611 -0.044) 4.239 ======================= Grid point 55 (25/285) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 3.439 -7.779 0.036) 8.506 3.283 ( -2.132 23.845 0.234) 23.941 4.629 ( 9.802 -0.890 -0.209) 9.844 6.170 ( -13.300 1.294 1.795) 13.483 7.030 ( -0.507 -4.537 -0.099) 4.566 7.434 ( 8.334 -14.183 -1.286) 16.500 9.637 ( -3.211 6.866 -1.832) 7.798 9.702 ( -4.363 6.252 0.824) 7.668 10.382 ( 6.500 -1.145 -0.939) 6.667 11.091 ( 3.137 -3.996 1.125) 5.204 18.333 ( -5.746 34.851 2.284) 35.395 22.589 ( 10.490 -37.244 -1.649) 38.728 26.613 ( 1.625 22.721 -0.477) 22.784 108.020 ( 0.834 2.233 0.073) 2.385 108.326 ( -1.546 -3.213 -0.066) 3.566 ======================= Grid point 56 (26/285) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 5.768 -12.635 0.044) 13.890 3.419 ( -8.968 22.078 0.097) 23.830 4.737 ( 6.673 -6.396 -0.102) 9.244 6.020 ( -7.711 6.062 0.534) 9.824 6.977 ( 0.475 -4.153 0.244) 4.187 7.441 ( 9.239 -15.442 -0.666) 18.008 9.641 ( -3.231 5.657 -1.138) 6.614 9.710 ( -6.404 12.411 0.782) 13.988 10.448 ( 4.755 -5.237 -0.479) 7.090 11.104 ( 3.750 -5.615 0.507) 6.771 18.514 ( -16.912 38.709 1.092) 42.256 22.449 ( 20.514 -42.797 -0.809) 47.466 26.790 ( -6.013 19.167 -0.201) 20.089 108.050 ( -0.216 2.125 0.040) 2.136 108.281 ( 0.047 -2.584 -0.037) 2.585 ======================= Grid point 70 (27/285) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -3.128 -5.418 0.000) 6.256 3.444 ( 10.554 18.280 0.000) 21.108 4.520 ( 2.011 3.482 0.000) 4.021 6.318 ( -4.698 -8.136 0.000) 9.395 7.018 ( 0.260 0.450 0.000) 0.520 7.255 ( -5.137 -8.898 0.000) 10.274 9.692 ( 0.600 1.038 0.000) 1.199 9.802 ( 3.864 6.693 0.000) 7.728 10.304 ( 1.005 1.741 0.000) 2.010 11.037 ( -1.222 -2.117 0.000) 2.445 18.590 ( 15.949 27.625 0.000) 31.899 22.278 ( -15.114 -26.178 0.000) 30.228 26.716 ( 10.286 17.817 0.000) 20.573 108.025 ( 1.309 2.267 0.000) 2.617 108.323 ( -1.961 -3.396 0.000) 3.921 ======================= Grid point 71 (28/285) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -0.941 -12.171 0.059) 12.208 3.737 ( -0.056 19.970 0.061) 19.970 4.561 ( 4.184 -5.660 -0.067) 7.039 6.182 ( -5.401 0.419 0.261) 5.423 6.978 ( -4.138 -1.085 0.963) 4.385 7.152 ( 5.831 -12.288 -1.205) 13.655 9.752 ( -0.078 7.564 -0.719) 7.599 9.906 ( -1.554 9.408 0.773) 9.567 10.315 ( 2.561 -5.348 -0.577) 5.958 11.001 ( 1.100 -4.436 0.378) 4.586 19.108 ( 1.091 39.951 0.795) 39.974 21.790 ( 0.455 -40.238 -0.653) 40.246 26.996 ( 2.408 14.319 -0.108) 14.521 108.070 ( 0.836 2.604 0.026) 2.735 108.260 ( -1.159 -3.201 -0.024) 3.404 ======================= Grid point 72 (29/285) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 6.683 -11.576 -0.000) 13.367 3.841 ( -10.564 18.297 -0.000) 21.128 4.566 ( 5.729 -9.923 0.000) 11.459 6.138 ( -2.878 4.985 -0.000) 5.756 6.925 ( 0.408 -0.706 -0.000) 0.815 7.149 ( 7.036 -12.187 0.000) 14.072 9.798 ( -5.192 8.993 0.000) 10.385 9.940 ( -5.243 9.082 -0.000) 10.487 10.305 ( 4.762 -8.248 0.000) 9.524 10.987 ( 2.970 -5.144 -0.000) 5.939 19.347 ( -23.394 40.519 -0.000) 46.788 21.564 ( 24.186 -41.892 0.000) 48.373 27.091 ( -5.747 9.954 0.000) 11.494 108.095 ( -1.250 2.165 -0.000) 2.500 108.229 ( 1.376 -2.383 0.000) 2.751 ======================= Grid point 88 (30/285) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -3.880 -6.720 0.000) 7.760 4.088 ( 7.731 13.390 0.000) 15.461 4.406 ( -4.986 -8.636 0.000) 9.972 6.196 ( 0.398 0.690 0.000) 0.797 6.958 ( -1.859 -3.221 0.000) 3.719 6.975 ( -1.206 -2.089 0.000) 2.412 9.933 ( 5.083 8.805 0.000) 10.167 10.047 ( 2.132 3.692 0.000) 4.263 10.175 ( -4.281 -7.415 0.000) 8.562 10.927 ( -1.265 -2.191 0.000) 2.530 19.928 ( 21.325 36.936 0.000) 42.650 20.970 ( -21.264 -36.831 0.000) 42.529 27.194 ( 2.820 4.885 0.000) 5.640 108.125 ( 1.485 2.573 0.000) 2.971 108.197 ( -1.600 -2.772 0.000) 3.200 ======================= Grid point 271 (31/285) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 285 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( 0.000 0.000 18.070) 18.070 0.370 ( -0.000 -0.000 18.070) 18.070 0.671 ( -0.000 0.000 32.750) 32.750 7.015 ( 0.000 0.000 -4.466) 4.466 7.015 ( 0.000 -0.000 -4.466) 4.466 7.712 ( 0.000 0.000 3.532) 3.532 7.712 ( -0.000 -0.000 3.532) 3.532 10.688 ( -0.000 0.000 0.664) 0.664 11.421 ( 0.000 0.000 -1.218) 1.218 12.313 ( 0.000 0.000 6.758) 6.758 12.313 ( 0.000 -0.000 6.758) 6.758 23.465 ( 0.000 0.000 -1.230) 1.230 23.465 ( 0.000 -0.000 -1.230) 1.230 107.830 ( 0.000 -0.000 0.439) 0.439 109.442 ( -0.000 0.000 -0.203) 0.203 ======================= Grid point 272 (32/285) ======================= q-point: ( 0.06 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 13.728 7.926 10.583) 19.060 0.649 ( 7.089 4.093 22.647) 24.081 1.092 ( 35.028 20.224 11.528) 42.058 7.026 ( 5.484 3.166 -7.249) 9.626 7.031 ( -4.030 -2.327 1.964) 5.051 7.733 ( 6.337 3.659 -1.747) 7.523 8.293 ( 22.665 13.086 -4.936) 26.633 9.294 ( -32.758 -18.913 28.333) 47.260 11.330 ( -2.424 -1.399 -6.849) 7.399 12.247 ( -7.710 -4.451 8.729) 12.468 15.345 ( 84.377 48.715 -90.373) 132.891 23.518 ( 5.946 3.433 -2.885) 7.447 23.541 ( 4.955 2.861 -0.084) 5.722 107.834 ( 0.368 0.213 0.412) 0.592 109.076 ( -14.201 -8.199 14.785) 22.079 ======================= Grid point 273 (33/285) ======================= q-point: ( 0.12 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 10.371 5.988 16.120) 20.081 0.929 ( 16.846 9.726 4.908) 20.062 1.972 ( 37.350 21.564 4.576) 43.370 6.879 ( -7.750 -4.474 6.418) 11.012 7.227 ( 10.807 6.240 -5.583) 13.671 7.956 ( 11.256 6.499 -4.427) 13.731 8.450 ( -10.098 -5.830 13.343) 17.720 9.068 ( 10.594 6.116 -0.135) 12.233 11.259 ( -3.326 -1.920 -6.525) 7.571 11.953 ( -16.771 -9.683 9.487) 21.564 16.435 ( 24.166 13.952 -39.968) 48.745 23.680 ( 6.465 3.732 1.170) 7.556 23.738 ( 12.325 7.116 -4.214) 14.843 107.848 ( 0.772 0.446 0.379) 0.968 108.856 ( -6.413 -3.702 7.804) 10.758 ======================= Grid point 274 (34/285) ======================= q-point: ( 0.19 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 13.449 7.765 8.185) 17.555 1.334 ( 16.958 9.791 2.364) 19.723 2.827 ( 34.330 19.821 1.948) 39.689 6.689 ( -8.136 -4.697 8.932) 12.963 7.507 ( 12.184 7.035 -2.219) 14.243 8.134 ( -13.849 -7.996 7.292) 17.576 8.236 ( 12.029 6.945 -4.659) 14.651 9.418 ( 15.856 9.155 1.425) 18.364 11.186 ( -2.481 -1.432 -5.211) 5.947 11.474 ( -23.019 -13.290 8.607) 27.939 16.842 ( 12.861 7.425 -15.279) 21.307 23.837 ( 6.652 3.840 1.534) 7.832 24.083 ( 16.242 9.377 -5.058) 19.425 107.870 ( 1.110 0.641 0.393) 1.341 108.724 ( -5.062 -2.922 3.670) 6.901 ======================= Grid point 275 (35/285) ======================= q-point: ( 0.25 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 13.865 8.005 2.721) 16.240 1.722 ( 15.582 8.996 1.060) 18.024 3.582 ( 29.042 16.767 -0.091) 33.535 6.493 ( -8.414 -4.858 11.078) 14.735 7.758 ( 3.867 2.233 4.007) 6.000 7.845 ( -5.591 -3.228 1.390) 6.604 8.514 ( 11.266 6.504 -4.180) 13.664 9.780 ( 14.468 8.353 1.427) 16.767 10.896 ( -24.922 -14.389 6.426) 29.486 11.153 ( -0.135 -0.078 -3.098) 3.102 17.096 ( 8.829 5.097 -2.175) 10.424 23.994 ( 6.541 3.776 0.696) 7.585 24.485 ( 17.226 9.945 -5.558) 20.653 107.900 ( 1.345 0.777 0.424) 1.610 108.609 ( -4.662 -2.691 1.597) 5.615 ======================= Grid point 276 (36/285) ======================= q-point: ( 0.31 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 12.116 6.995 -0.510) 14.000 2.063 ( 12.974 7.490 0.230) 14.983 4.192 ( 22.148 12.787 -2.023) 25.654 6.284 ( -9.301 -5.370 13.115) 16.951 7.563 ( -9.025 -5.210 3.796) 11.091 7.989 ( 6.434 3.714 4.138) 8.504 8.763 ( 9.536 5.506 -3.559) 11.572 10.099 ( 12.394 7.156 -0.264) 14.314 10.332 ( -21.859 -12.620 3.832) 25.530 11.180 ( 2.262 1.306 -0.938) 2.776 17.263 ( 5.162 2.980 5.946) 8.419 24.147 ( 6.385 3.687 -0.428) 7.386 24.878 ( 15.515 8.958 -5.877) 18.855 107.933 ( 1.425 0.823 0.434) 1.702 108.504 ( -4.100 -2.367 0.469) 4.757 ======================= Grid point 277 (37/285) ======================= q-point: ( 0.38 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 9.011 5.202 -1.976) 10.591 2.329 ( 9.274 5.354 -0.485) 10.720 4.628 ( 14.617 8.439 -3.596) 17.257 6.056 ( -9.685 -5.592 14.656) 18.435 7.387 ( -5.809 -3.354 4.132) 7.878 8.099 ( 3.023 1.745 6.197) 7.112 8.960 ( 7.009 4.047 -3.010) 8.635 9.891 ( -14.814 -8.553 2.003) 17.223 10.363 ( 9.741 5.624 -1.155) 11.307 11.248 ( 3.114 1.798 0.266) 3.605 17.339 ( 1.264 0.730 10.231) 10.335 24.294 ( 5.932 3.425 -0.735) 6.889 25.204 ( 11.698 6.754 -6.046) 14.799 107.965 ( 1.272 0.734 0.396) 1.521 108.418 ( -3.152 -1.820 -0.120) 3.642 ======================= Grid point 278 (38/285) ======================= q-point: ( 0.44 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 5.180 2.991 -2.023) 6.314 2.495 ( 4.603 2.658 -1.211) 5.452 4.887 ( 7.377 4.259 -4.368) 9.572 5.847 ( -7.399 -4.272 14.996) 17.259 7.286 ( -2.730 -1.576 4.663) 5.628 8.144 ( 0.988 0.570 7.012) 7.105 9.090 ( 3.822 2.206 -2.628) 5.136 9.641 ( -6.217 -3.589 1.873) 7.419 10.552 ( 5.957 3.439 -0.722) 6.917 11.311 ( 1.913 1.105 0.396) 2.244 17.329 ( -1.890 -1.091 10.772) 10.991 24.422 ( 4.643 2.681 0.323) 5.371 25.422 ( 6.478 3.740 -5.981) 9.577 107.990 ( 0.758 0.438 0.295) 0.924 108.359 ( -1.731 -0.999 -0.343) 2.028 ======================= Grid point 279 (39/285) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 0.874 0.505 -1.144) 1.526 2.542 ( -0.696 -0.402 -1.838) 2.006 4.980 ( 0.442 0.255 -4.246) 4.277 5.729 ( -2.152 -1.242 13.536) 13.762 7.255 ( 0.085 0.049 4.869) 4.870 8.157 ( 0.300 0.173 7.394) 7.402 9.139 ( 0.345 0.199 -2.298) 2.332 9.592 ( 1.855 1.071 3.373) 3.996 10.636 ( 0.936 0.540 0.238) 1.107 11.328 ( -0.659 -0.381 -0.089) 0.766 17.263 ( -3.320 -1.917 8.311) 9.152 24.504 ( 2.095 1.209 2.360) 3.380 25.506 ( 0.577 0.333 -5.569) 5.608 107.998 ( -0.116 -0.067 0.161) 0.210 108.339 ( 0.104 0.060 -0.317) 0.339 ======================= Grid point 281 (40/285) ======================= q-point: (-0.44 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -3.829 -2.211 0.096) 4.422 2.464 ( -5.785 -3.340 -2.195) 7.032 4.905 ( -6.908 -3.988 -3.577) 8.742 5.746 ( 3.363 1.941 10.244) 10.955 7.292 ( 3.043 1.757 4.804) 5.952 8.162 ( 0.113 0.065 8.031) 8.032 9.109 ( -2.838 -1.638 -1.668) 3.677 9.719 ( 8.713 5.031 5.390) 11.414 10.591 ( -4.781 -2.760 0.871) 5.589 11.281 ( -3.106 -1.793 -0.947) 3.709 17.185 ( -2.967 -1.713 4.491) 5.649 24.512 ( -1.652 -0.954 4.262) 4.669 25.450 ( -5.290 -3.054 -4.735) 7.728 107.986 ( -0.913 -0.527 0.075) 1.057 108.363 ( 1.866 1.077 -0.147) 2.160 ======================= Grid point 282 (41/285) ======================= q-point: (-0.38 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -8.503 -4.909 1.456) 9.926 2.275 ( -9.915 -5.724 -2.237) 11.665 4.647 ( -14.917 -8.612 -2.717) 17.438 5.870 ( 6.609 3.816 6.006) 9.712 7.400 ( 5.966 3.444 4.500) 8.228 8.159 ( -0.510 -0.294 9.291) 9.309 9.007 ( -5.640 -3.256 -0.755) 6.556 9.997 ( 14.547 8.399 6.775) 18.112 10.408 ( -10.622 -6.133 0.493) 12.275 11.197 ( -3.519 -2.032 -1.983) 4.521 17.129 ( -1.817 -1.049 1.063) 2.352 24.422 ( -5.927 -3.422 4.804) 8.362 25.261 ( -10.440 -6.028 -3.494) 12.551 107.958 ( -1.299 -0.750 0.081) 1.502 108.424 ( 3.172 1.831 0.155) 3.666 ======================= Grid point 283 (42/285) ======================= q-point: (-0.31 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -12.351 -7.131 3.154) 14.606 2.003 ( -12.911 -7.454 -1.828) 15.020 4.199 ( -22.783 -13.154 -1.685) 26.361 6.042 ( 7.604 4.390 2.010) 9.008 7.565 ( 7.617 4.398 3.812) 9.586 8.131 ( -1.953 -1.128 10.914) 11.145 8.846 ( -7.900 -4.561 0.360) 9.129 10.097 ( -15.221 -8.788 -0.870) 17.597 10.397 ( 18.876 10.898 6.728) 22.811 11.134 ( -1.545 -0.892 -3.053) 3.536 17.094 ( -1.303 -0.752 -1.299) 1.988 24.235 ( -9.577 -5.529 3.295) 11.539 24.965 ( -14.271 -8.240 -1.981) 16.598 107.926 ( -1.366 -0.789 0.146) 1.584 108.510 ( 4.047 2.337 0.717) 4.728 ======================= Grid point 284 (43/285) ======================= q-point: (-0.25 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -14.598 -8.428 5.718) 17.799 1.671 ( -14.845 -8.571 -0.675) 17.154 3.576 ( -29.454 -17.005 -0.328) 34.012 6.224 ( 7.780 4.492 -1.166) 9.059 7.729 ( 4.893 2.825 3.730) 6.770 8.073 ( -2.198 -1.269 10.828) 11.122 8.638 ( -9.534 -5.505 1.610) 11.126 9.715 ( -16.205 -9.356 -1.886) 18.807 10.875 ( 20.968 12.106 5.425) 24.812 11.129 ( 1.132 0.654 -4.286) 4.481 17.051 ( -2.835 -1.637 -3.981) 5.154 23.983 ( -11.266 -6.505 0.066) 13.009 24.599 ( -16.292 -9.406 -0.475) 18.818 107.895 ( -1.252 -0.723 0.224) 1.463 108.613 ( 4.583 2.646 1.767) 5.579 ======================= Grid point 285 (44/285) ======================= q-point: (-0.19 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -14.545 -8.398 9.900) 19.496 1.306 ( -15.808 -9.127 1.522) 18.317 2.816 ( -34.339 -19.826 1.507) 39.680 6.413 ( 8.190 4.729 -3.577) 10.111 7.700 ( -7.675 -4.431 6.626) 11.065 8.102 ( 4.798 2.770 5.389) 7.729 8.398 ( -10.541 -6.086 2.883) 12.508 9.367 ( -12.385 -7.151 -0.640) 14.316 11.181 ( 2.991 1.727 -5.585) 6.567 11.371 ( 20.405 11.781 3.977) 23.895 16.929 ( -8.291 -4.787 -11.521) 14.979 23.724 ( -10.031 -5.792 -3.332) 12.053 24.210 ( -16.126 -9.311 0.624) 18.632 107.868 ( -1.026 -0.592 0.293) 1.220 108.726 ( 4.991 2.882 3.756) 6.880 ======================= Grid point 286 (45/285) ======================= q-point: (-0.12 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -11.513 -6.647 16.417) 21.125 0.929 ( -15.767 -9.103 5.126) 18.914 1.964 ( -37.091 -21.415 4.323) 43.047 6.616 ( 8.914 5.147 -5.339) 11.595 7.443 ( -12.392 -7.155 3.697) 14.779 8.143 ( -10.814 -6.243 4.033) 13.122 8.217 ( 2.885 1.666 1.932) 3.851 9.167 ( -3.072 -1.774 5.776) 6.779 11.259 ( 3.383 1.953 -6.594) 7.664 11.820 ( 17.020 9.827 3.564) 19.974 16.582 ( -24.001 -13.857 -34.319) 44.112 23.530 ( -6.007 -3.468 -4.675) 8.365 23.853 ( -13.527 -7.810 0.918) 15.647 107.847 ( -0.723 -0.417 0.349) 0.904 108.856 ( 6.371 3.678 7.831) 10.744 ======================= Grid point 287 (46/285) ======================= q-point: (-0.06 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -13.494 -7.791 11.168) 19.171 0.632 ( -7.454 -4.303 22.142) 23.756 1.091 ( -34.629 -19.993 11.763) 41.680 6.831 ( 9.026 5.211 -6.175) 12.115 7.173 ( -9.273 -5.354 -0.161) 10.708 7.896 ( -9.744 -5.626 4.754) 12.215 8.115 ( -14.304 -8.258 -9.803) 19.207 9.374 ( 26.552 15.330 28.524) 41.876 11.330 ( 2.406 1.389 -6.849) 7.391 12.156 ( 10.793 6.231 4.656) 13.304 15.440 ( -88.500 -51.096 -87.405) 134.472 23.449 ( -0.858 -0.496 -3.005) 3.164 23.587 ( -8.493 -4.904 0.225) 9.810 107.834 ( -0.356 -0.205 0.409) 0.579 109.076 ( 14.187 8.191 14.788) 22.069 ======================= Grid point 289 (47/285) ======================= q-point: ( 0.06 0.06 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 5.854 9.963 18.047) 21.430 0.861 ( 9.901 17.489 6.984) 21.276 1.716 ( 21.322 36.385 5.341) 42.509 6.883 ( 15.250 -10.844 -6.026) 19.659 7.133 ( -13.745 9.587 4.665) 17.396 7.960 ( -0.312 10.274 -0.521) 10.292 8.456 ( 13.579 4.484 4.283) 14.928 9.068 ( -7.798 -0.638 7.967) 11.167 11.280 ( -1.916 -3.267 -6.750) 7.740 11.985 ( -4.162 -18.053 6.565) 19.656 16.337 ( 13.740 35.927 -48.108) 61.595 23.483 ( 3.514 -0.580 -1.324) 3.800 23.799 ( 7.507 16.449 -1.925) 18.183 107.843 ( 0.395 0.640 0.373) 0.840 108.900 ( -4.297 -7.398 9.537) 12.812 ======================= Grid point 290 (48/285) ======================= q-point: ( 0.12 0.06 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 9.577 10.864 11.128) 18.264 1.251 ( 11.542 19.735 3.421) 23.117 2.499 ( 27.937 28.361 2.364) 39.880 6.904 ( -13.168 4.976 6.290) 15.418 7.157 ( 19.319 -8.160 -2.412) 21.110 8.000 ( -0.306 -6.013 3.426) 6.928 8.585 ( -7.954 20.336 1.799) 21.910 9.200 ( 15.276 5.601 0.857) 16.293 11.205 ( -2.403 -3.215 -5.928) 7.159 11.624 ( -13.389 -20.726 7.983) 25.933 16.776 ( 8.748 16.920 -21.074) 28.407 23.561 ( 8.917 -6.264 0.468) 10.907 24.152 ( 8.242 23.972 -3.507) 25.591 107.861 ( 0.776 0.847 0.368) 1.206 108.768 ( -4.030 -4.608 4.818) 7.790 ======================= Grid point 291 (49/285) ======================= q-point: ( 0.19 0.06 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 11.778 10.316 4.973) 16.428 1.656 ( 10.401 20.501 1.703) 23.051 3.257 ( 27.960 21.339 0.455) 35.175 6.703 ( -14.714 5.278 9.767) 18.432 7.444 ( 22.259 -11.080 -1.077) 24.887 7.842 ( -5.590 -10.300 4.916) 12.709 8.705 ( -6.235 26.235 -3.259) 27.162 9.566 ( 17.675 5.516 2.045) 18.628 11.070 ( -13.579 -18.072 1.776) 22.675 11.187 ( -6.286 -5.246 1.213) 8.277 17.061 ( 6.534 13.155 -6.798) 16.185 23.661 ( 13.088 -12.628 0.874) 18.208 24.567 ( 7.365 28.965 -4.530) 30.228 107.887 ( 1.076 1.024 0.392) 1.537 108.653 ( -4.024 -3.859 2.283) 6.025 ======================= Grid point 292 (50/285) ======================= q-point: ( 0.25 0.06 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 11.888 8.121 1.020) 14.433 2.029 ( 7.842 20.080 0.636) 21.567 3.913 ( 24.328 14.935 -1.291) 28.576 6.488 ( -14.709 3.583 12.033) 19.339 7.568 ( 1.399 -16.283 1.860) 16.449 7.766 ( 10.950 -2.843 4.242) 12.082 8.870 ( -3.306 21.544 -3.062) 22.010 9.914 ( 14.970 4.594 0.679) 15.674 10.537 ( -18.744 -18.791 4.032) 26.846 11.158 ( 1.128 0.062 -1.033) 1.531 17.283 ( 3.115 13.078 2.292) 13.637 23.764 ( 16.517 -18.665 0.225) 24.924 24.991 ( 5.076 31.118 -5.287) 31.970 107.920 ( 1.238 1.161 0.415) 1.748 108.546 ( -3.825 -3.390 0.881) 5.186 ======================= Grid point 293 (51/285) ======================= q-point: ( 0.31 0.06 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 10.385 4.777 -1.036) 11.478 2.338 ( 4.314 18.537 -0.153) 19.033 4.418 ( 18.519 9.023 -2.907) 20.804 6.251 ( -14.658 1.453 13.923) 20.269 7.400 ( -2.902 -9.966 3.378) 10.916 7.936 ( 11.343 -6.362 5.510) 14.125 9.021 ( -1.534 16.177 -2.625) 16.460 10.005 ( -9.898 -14.623 1.665) 17.736 10.258 ( 7.080 5.008 -0.378) 8.680 11.203 ( 3.207 0.491 0.392) 3.268 17.432 ( -2.028 13.790 8.063) 16.102 23.866 ( 19.532 -23.980 -0.511) 30.932 25.370 ( 1.160 31.052 -5.729) 31.598 107.954 ( 1.191 1.233 0.405) 1.762 108.450 ( -3.211 -2.854 0.105) 4.297 ======================= Grid point 294 (52/285) ======================= q-point: ( 0.38 0.06 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 8.008 0.837 -1.568) 8.203 2.556 ( 0.021 16.110 -0.822) 16.131 4.754 ( 11.927 3.727 -4.011) 13.124 6.012 ( -12.893 0.922 14.936) 19.752 7.276 ( -1.234 -6.876 4.197) 8.150 8.031 ( 7.602 -7.401 6.822) 12.614 9.142 ( -1.349 11.934 -2.468) 12.261 9.706 ( -7.687 -8.128 1.173) 11.249 10.462 ( 8.072 3.528 -0.951) 8.861 11.266 ( 3.425 -0.343 0.853) 3.546 17.491 ( -7.527 14.409 10.399) 19.298 23.964 ( 21.597 -28.260 -0.352) 35.569 25.656 ( -4.133 29.404 -5.785) 30.251 107.985 ( 0.820 1.173 0.340) 1.471 108.376 ( -2.095 -2.167 -0.263) 3.026 ======================= Grid point 295 (53/285) ======================= q-point: ( 0.44 0.06 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 5.106 -2.902 -1.067) 5.969 2.664 ( -4.912 13.281 -1.377) 14.227 4.922 ( 5.462 -0.888 -4.270) 6.990 5.838 ( -8.454 3.237 14.422) 17.028 7.215 ( 1.182 -4.996 4.597) 6.891 8.068 ( 5.553 -7.607 7.539) 12.064 9.212 ( -2.943 8.997 -2.321) 9.746 9.577 ( -1.151 -2.021 1.929) 3.021 10.594 ( 4.262 0.423 -0.224) 4.288 11.304 ( 1.858 -2.041 0.496) 2.804 17.468 ( -11.547 14.704 9.419) 20.934 24.047 ( 21.832 -31.276 0.968) 38.154 25.818 ( -10.262 26.617 -5.403) 29.034 108.004 ( 0.014 0.855 0.222) 0.883 108.335 ( -0.425 -1.248 -0.342) 1.361 ======================= Grid point 296 (54/285) ======================= q-point: (-0.50 0.06 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 1.343 -5.647 -0.188) 5.808 2.653 ( -10.159 10.655 -1.717) 14.822 4.931 ( -1.212 -4.864 -3.859) 6.327 5.791 ( -2.755 6.917 12.094) 14.202 7.217 ( 3.998 -3.369 4.667) 7.008 8.079 ( 4.599 -7.686 8.139) 12.102 9.221 ( -5.550 7.555 -1.828) 9.552 9.615 ( 5.640 1.230 3.650) 6.830 10.614 ( -0.836 -2.658 0.598) 2.850 11.285 ( -0.548 -3.712 -0.310) 3.765 17.397 ( -12.985 14.533 6.269) 20.472 24.090 ( 19.744 -32.838 2.820) 38.421 25.834 ( -16.539 22.981 -4.631) 28.690 108.001 ( -0.953 0.315 0.107) 1.009 108.338 ( 1.476 -0.165 -0.238) 1.504 ======================= Grid point 297 (55/285) ======================= q-point: (-0.44 0.06 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -3.459 -7.188 0.683) 8.006 2.525 ( -15.088 8.457 -1.756) 17.385 4.773 ( -9.020 -8.609 -3.162) 12.864 5.873 ( 1.700 10.220 8.318) 13.287 7.290 ( 7.076 -1.604 4.667) 8.627 8.069 ( 3.724 -9.135 8.827) 13.238 9.173 ( -8.479 7.725 -0.897) 11.505 9.798 ( 12.691 2.462 5.427) 14.021 10.507 ( -6.698 -5.334 0.770) 8.597 11.217 ( -2.129 -4.187 -1.324) 4.881 17.316 ( -12.088 13.541 2.711) 18.352 24.069 ( 15.587 -32.636 4.153) 36.405 25.703 ( -22.206 18.712 -3.658) 29.268 107.979 ( -1.526 -0.126 0.075) 1.534 108.382 ( 3.009 0.732 -0.028) 3.097 ======================= Grid point 298 (56/285) ======================= q-point: (-0.38 0.06 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -8.500 -7.774 1.752) 11.652 2.296 ( -19.065 6.464 -1.448) 20.183 4.431 ( -17.500 -11.940 -2.322) 21.312 6.041 ( 3.282 12.755 4.147) 13.808 7.433 ( 9.729 -0.115 4.540) 10.737 8.013 ( 2.580 -13.296 9.497) 16.542 9.086 ( -11.436 10.162 0.486) 15.306 10.089 ( 14.336 -1.395 5.244) 15.328 10.290 ( -7.586 -3.540 0.882) 8.418 11.143 ( -1.557 -2.877 -2.251) 3.971 17.247 ( -10.140 11.273 0.004) 15.162 23.975 ( 10.247 -30.197 4.162) 32.158 25.435 ( -26.487 14.051 -2.766) 30.111 107.948 ( -1.671 -0.335 0.121) 1.709 108.456 ( 4.079 1.284 0.351) 4.291 ======================= Grid point 299 (57/285) ======================= q-point: (-0.31 0.06 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -12.644 -7.555 3.563) 15.154 1.988 ( -21.658 4.529 -0.653) 22.137 3.912 ( -25.608 -13.854 -1.269) 29.143 6.238 ( 2.805 14.689 0.598) 14.967 7.622 ( 10.592 1.089 4.045) 11.390 7.880 ( 1.789 -20.014 9.862) 22.383 8.980 ( -14.870 14.539 2.192) 20.912 9.876 ( -14.530 -12.550 -1.474) 19.256 10.571 ( 22.538 5.748 5.627) 23.931 11.114 ( 0.511 -0.787 -3.130) 3.268 17.178 ( -8.760 7.442 -2.146) 11.694 23.823 ( 4.950 -25.069 2.710) 25.696 25.061 ( -28.644 9.328 -2.190) 30.204 107.915 ( -1.583 -0.373 0.199) 1.638 108.550 ( 4.811 1.515 1.067) 5.156 ======================= Grid point 300 (58/285) ======================= q-point: (-0.25 0.06 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -14.989 -6.383 6.700) 17.616 1.628 ( -22.736 2.627 0.851) 22.903 3.250 ( -32.712 -13.396 0.143) 35.350 6.440 ( 2.088 16.454 -2.102) 16.719 7.652 ( -2.026 -20.174 8.149) 21.852 7.835 ( 12.611 -3.934 4.882) 14.084 8.843 ( -19.632 17.599 3.017) 26.537 9.483 ( -13.115 -13.351 -1.820) 18.803 11.053 ( 23.171 4.907 2.920) 23.865 11.149 ( 4.155 1.833 -2.502) 5.185 17.069 ( -9.702 2.057 -6.346) 11.774 23.653 ( 0.925 -17.149 0.503) 17.181 24.625 ( -28.080 4.945 -1.972) 28.580 107.885 ( -1.374 -0.302 0.274) 1.433 108.656 ( 5.312 1.454 2.385) 6.002 ======================= Grid point 301 (59/285) ======================= q-point: (-0.19 0.06 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -14.681 -3.900 11.769) 19.216 1.242 ( -22.385 0.790 3.214) 22.629 2.493 ( -38.540 -9.501 2.116) 39.750 6.654 ( 1.938 18.392 -4.226) 18.970 7.382 ( -2.328 -23.062 6.912) 24.188 7.997 ( 7.546 -2.348 4.224) 8.961 8.630 ( -21.164 13.119 2.437) 25.020 9.184 ( -6.805 -9.145 0.689) 11.419 11.205 ( 4.070 0.585 -6.052) 7.317 11.558 ( 22.628 6.602 5.064) 24.110 16.841 ( -15.989 -4.224 -18.376) 24.722 23.523 ( -1.045 -7.064 -1.102) 7.225 24.184 ( -24.501 1.235 -1.980) 24.611 107.860 ( -1.092 -0.160 0.330) 1.152 108.769 ( 5.982 1.108 4.851) 7.781 ======================= Grid point 306 (60/285) ======================= q-point: ( 0.12 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 6.945 13.557 6.609) 16.604 1.683 ( 13.174 21.475 2.026) 25.275 3.099 ( 17.259 29.379 0.249) 34.074 6.864 ( 18.632 -10.150 -1.849) 21.297 7.161 ( -17.705 9.593 8.855) 21.998 7.834 ( -4.284 -8.645 4.591) 10.685 9.073 ( 1.847 24.307 -1.871) 24.449 9.291 ( 12.535 3.776 2.112) 13.261 11.089 ( -8.742 -15.066 -1.978) 17.530 11.201 ( -5.037 -12.311 3.525) 13.761 17.088 ( 6.945 13.310 -8.271) 17.140 23.461 ( -1.707 -3.369 1.445) 4.044 24.672 ( 13.497 26.051 -3.797) 29.584 107.882 ( 0.781 1.210 0.336) 1.479 108.670 ( -2.867 -4.842 2.612) 6.204 ======================= Grid point 307 (61/285) ======================= q-point: ( 0.19 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 8.548 10.503 2.633) 13.796 2.123 ( 9.613 23.844 1.031) 25.729 3.684 ( 19.508 19.956 -1.160) 27.931 6.866 ( -18.782 9.595 10.336) 23.488 7.146 ( 18.796 -16.172 0.710) 24.805 7.694 ( -2.134 -5.485 4.764) 7.572 9.214 ( -8.123 22.068 -2.438) 23.642 9.658 ( 18.723 3.949 1.569) 19.199 10.625 ( -15.122 -21.660 3.326) 26.625 11.134 ( 0.421 -1.989 -0.691) 2.147 17.361 ( 6.576 15.678 -1.070) 17.035 23.395 ( 3.750 -12.961 1.972) 13.636 25.175 ( 10.529 29.376 -4.826) 31.577 107.912 ( 1.058 1.391 0.356) 1.783 108.569 ( -3.184 -4.260 1.192) 5.450 ======================= Grid point 308 (62/285) ======================= q-point: ( 0.25 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 8.488 5.872 0.369) 10.327 2.500 ( 4.519 24.682 0.171) 25.093 4.184 ( 18.208 11.395 -2.395) 21.612 6.595 ( -19.372 5.188 12.938) 23.866 7.241 ( 8.399 -14.150 1.737) 16.546 7.680 ( 6.809 -5.766 5.821) 10.654 9.286 ( -6.674 18.133 -1.779) 19.403 9.925 ( 5.877 -5.678 0.635) 8.197 10.237 ( -4.836 -6.625 0.983) 8.261 11.146 ( 2.558 -1.333 0.712) 2.972 17.626 ( 2.080 20.128 4.601) 20.752 23.332 ( 9.969 -22.770 1.364) 24.894 25.634 ( 6.144 30.352 -5.590) 31.468 107.948 ( 1.161 1.565 0.364) 1.982 108.472 ( -3.023 -3.704 0.336) 4.793 ======================= Grid point 309 (63/285) ======================= q-point: ( 0.31 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 7.419 0.161 -0.235) 7.425 2.783 ( -0.889 23.767 -0.513) 23.789 4.556 ( 14.297 4.251 -3.422) 15.303 6.305 ( -17.064 2.759 14.367) 22.476 7.197 ( 1.211 -8.707 3.391) 9.422 7.760 ( 10.443 -10.872 6.751) 16.517 9.351 ( -5.299 15.152 -1.863) 16.160 9.750 ( -6.899 -8.489 0.575) 10.954 10.342 ( 8.712 2.776 -0.916) 9.190 11.188 ( 3.789 -2.094 1.487) 4.577 17.829 ( -5.553 24.667 8.234) 26.591 23.289 ( 16.551 -31.310 0.745) 35.423 26.003 ( 0.627 29.327 -6.013) 29.944 107.984 ( 0.982 1.697 0.334) 1.989 108.389 ( -2.341 -3.114 -0.126) 3.898 ======================= Grid point 310 (64/285) ======================= q-point: ( 0.38 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 6.351 -5.302 0.359) 8.280 2.953 ( -6.198 21.630 -1.001) 22.523 4.778 ( 9.110 -1.387 -3.938) 10.021 6.072 ( -12.595 4.323 14.715) 19.846 7.132 ( 0.792 -6.496 4.179) 7.764 7.816 ( 9.875 -13.232 7.559) 18.159 9.404 ( -4.984 12.763 -2.246) 13.885 9.607 ( -4.084 -0.514 0.833) 4.200 10.495 ( 6.680 -0.472 -0.622) 6.725 11.225 ( 3.450 -3.728 1.289) 5.240 17.927 ( -13.696 27.611 9.052) 32.123 23.282 ( 22.056 -37.044 1.092) 43.127 26.248 ( -5.734 26.735 -5.986) 27.991 108.014 ( 0.330 1.652 0.255) 1.704 108.329 ( -1.018 -2.406 -0.300) 2.630 ======================= Grid point 311 (65/285) ======================= q-point: ( 0.44 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 5.192 -8.414 1.155) 9.954 3.006 ( -11.346 19.032 -1.286) 22.194 4.855 ( 3.588 -5.546 -3.834) 7.637 5.961 ( -6.902 8.206 13.527) 17.261 7.104 ( 3.042 -5.292 4.264) 7.445 7.845 ( 8.997 -13.577 8.520) 18.381 9.434 ( -6.057 11.894 -2.024) 13.501 9.580 ( -0.444 2.625 1.752) 3.187 10.563 ( 3.085 -3.512 0.135) 4.676 11.226 ( 1.840 -5.330 0.478) 5.659 17.914 ( -19.454 27.867 7.287) 34.758 23.309 ( 24.670 -38.963 2.498) 46.184 26.342 ( -12.493 22.963 -5.529) 26.719 108.025 ( -0.817 1.199 0.145) 1.459 108.308 ( 0.921 -1.398 -0.273) 1.696 ======================= Grid point 313 (66/285) ======================= q-point: (-0.50 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 2.217 -8.528 1.370) 8.917 2.941 ( -16.312 16.313 -1.348) 23.109 4.790 ( -2.897 -8.633 -3.413) 9.725 5.993 ( -1.451 12.244 10.771) 16.372 7.138 ( 6.130 -3.853 4.359) 8.451 7.853 ( 7.379 -13.804 9.458) 18.288 9.427 ( -8.265 11.678 -1.078) 14.348 9.649 ( 5.572 2.170 2.847) 6.623 10.528 ( -1.881 -5.650 0.625) 5.988 11.184 ( 0.077 -5.745 -0.534) 5.770 17.820 ( -21.405 25.193 4.346) 33.343 23.350 ( 23.604 -36.938 4.089) 44.026 26.273 ( -19.062 18.362 -4.821) 26.903 108.010 ( -1.732 0.530 0.086) 1.813 108.333 ( 2.711 -0.312 -0.147) 2.733 ======================= Grid point 314 (67/285) ======================= q-point: (-0.44 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -3.072 -7.158 1.346) 7.905 2.763 ( -20.775 13.235 -1.125) 24.658 4.568 ( -10.883 -10.644 -2.851) 15.487 6.150 ( 2.177 16.112 6.886) 17.657 7.238 ( 9.049 -3.354 4.964) 10.853 7.812 ( 4.249 -14.683 9.660) 18.082 9.390 ( -9.309 12.153 0.064) 15.309 9.821 ( 12.222 -0.228 3.997) 12.860 10.379 ( -7.253 -6.829 0.301) 9.967 11.126 ( -0.460 -4.127 -1.247) 4.336 17.681 ( -20.110 19.971 1.752) 28.396 23.384 ( 19.506 -31.357 4.836) 37.245 26.044 ( -24.756 13.289 -4.146) 28.402 107.979 ( -2.009 0.100 0.117) 2.015 108.393 ( 3.905 0.381 0.067) 3.924 ======================= Grid point 315 (68/285) ======================= q-point: (-0.38 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -8.828 -5.515 1.900) 10.581 2.479 ( -24.050 9.450 -0.502) 25.845 4.189 ( -19.298 -10.383 -2.174) 22.022 6.381 ( 2.486 19.776 2.987) 20.154 7.371 ( 11.290 -8.140 6.683) 15.439 7.706 ( 0.544 -12.785 8.132) 15.161 9.353 ( -9.932 14.098 1.438) 17.305 9.938 ( -3.203 -10.937 0.864) 11.429 10.273 ( 9.991 0.057 2.665) 10.340 11.095 ( 0.360 -1.408 -1.572) 2.141 17.518 ( -17.288 12.976 -0.078) 21.616 23.401 ( 13.837 -22.736 4.315) 26.963 25.675 ( -28.830 8.106 -3.759) 30.183 107.944 ( -1.934 -0.061 0.195) 1.945 108.476 ( 4.715 0.625 0.482) 4.781 ======================= Grid point 316 (69/285) ======================= q-point: (-0.31 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -13.205 -3.546 3.552) 14.127 2.109 ( -25.560 4.951 0.605) 26.042 3.683 ( -27.249 -6.812 -1.222) 28.114 6.629 ( 0.697 22.729 -0.095) 22.740 7.366 ( 5.160 -24.335 10.190) 26.882 7.678 ( 5.631 0.445 4.284) 7.090 9.320 ( -12.047 16.706 2.650) 20.766 9.582 ( -15.983 -15.688 -2.199) 22.503 10.638 ( 25.093 1.066 4.006) 25.433 11.111 ( 1.854 0.614 -1.867) 2.702 17.328 ( -14.942 5.427 -2.439) 16.083 23.417 ( 8.180 -11.790 2.901) 14.640 25.200 ( -30.544 3.145 -3.722) 30.930 107.910 ( -1.718 -0.048 0.275) 1.740 108.571 ( 5.268 0.479 1.261) 5.437 ======================= Grid point 324 (70/285) ======================= q-point: ( 0.19 0.19 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 4.133 8.161 1.467) 9.265 2.598 ( 13.188 21.767 0.172) 25.451 4.068 ( 9.809 17.182 -2.243) 19.912 6.809 ( 12.196 -16.190 3.851) 20.632 7.055 ( -15.851 7.466 9.209) 19.794 7.596 ( -1.969 -3.981 5.705) 7.230 9.541 ( 0.423 8.265 0.329) 8.282 9.764 ( 5.654 6.269 -0.033) 8.442 10.262 ( -7.765 -11.223 1.736) 13.758 11.096 ( 0.805 -1.649 -0.067) 1.836 17.695 ( 12.849 16.663 1.417) 21.089 23.133 ( -9.371 -12.520 3.472) 16.020 25.749 ( 13.773 25.990 -4.937) 29.825 107.944 ( 1.101 1.711 0.284) 2.054 108.481 ( -2.547 -4.243 0.482) 4.972 ======================= Grid point 325 (71/285) ======================= q-point: ( 0.25 0.19 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 3.682 1.325 1.014) 4.042 3.003 ( 5.773 23.415 -0.398) 24.120 4.377 ( 10.629 7.363 -2.968) 13.266 6.609 ( -13.833 -5.363 12.389) 19.329 7.061 ( 4.950 -2.209 3.657) 6.539 7.525 ( 1.961 -9.093 7.054) 11.674 9.595 ( -5.243 11.391 -0.736) 12.561 9.762 ( -1.853 -5.836 0.733) 6.167 10.235 ( 5.367 2.997 -0.827) 6.203 11.103 ( 2.332 -2.726 1.201) 3.783 18.096 ( 7.147 25.179 4.993) 26.646 22.841 ( -1.387 -24.864 2.949) 25.077 26.209 ( 8.099 25.203 -5.853) 27.112 107.984 ( 1.174 1.941 0.277) 2.286 108.396 ( -2.386 -3.700 0.012) 4.403 ======================= Grid point 326 (72/285) ======================= q-point: ( 0.31 0.19 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 3.504 -5.934 2.198) 7.233 3.276 ( -2.214 23.496 -0.891) 23.617 4.592 ( 9.528 -0.700 -3.414) 10.146 6.336 ( -12.860 0.267 14.268) 19.210 7.073 ( -0.171 -3.286 4.254) 5.379 7.494 ( 8.266 -14.437 7.214) 18.133 9.597 ( -4.093 6.778 -2.012) 8.169 9.720 ( -4.026 7.408 0.945) 8.484 10.362 ( 6.545 -0.937 -0.953) 6.680 11.117 ( 3.286 -4.636 1.473) 5.871 18.430 ( -4.335 33.400 7.250) 34.451 22.596 ( 9.677 -35.916 2.380) 37.273 26.543 ( 1.507 22.803 -6.352) 23.719 108.024 ( 0.846 2.152 0.235) 2.324 108.324 ( -1.624 -3.201 -0.210) 3.595 ======================= Grid point 327 (73/285) ======================= q-point: ( 0.38 0.19 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 5.142 -10.394 3.861) 12.222 3.408 ( -9.074 21.870 -1.178) 23.707 4.700 ( 6.629 -6.050 -3.498) 9.632 6.177 ( -8.424 5.786 14.555) 17.785 7.024 ( -0.028 -4.071 4.244) 5.880 7.512 ( 10.553 -15.570 7.676) 20.315 9.610 ( -2.846 7.656 -1.800) 8.364 9.729 ( -6.537 11.161 0.825) 12.961 10.439 ( 5.500 -4.889 -0.377) 7.368 11.119 ( 3.135 -6.297 0.907) 7.093 18.600 ( -17.793 37.114 7.257) 41.793 22.470 ( 21.199 -41.472 2.813) 46.661 26.723 ( -5.663 19.131 -6.374) 20.945 108.052 ( -0.264 2.050 0.157) 2.073 108.278 ( 0.063 -2.520 -0.247) 2.532 ======================= Grid point 328 (74/285) ======================= q-point: (-0.56 0.19 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 6.591 -9.764 4.107) 12.476 3.405 ( -14.714 18.769 -1.256) 23.882 4.704 ( 2.296 -8.715 -3.323) 9.605 6.154 ( -3.321 9.933 13.264) 16.900 7.014 ( 3.395 -3.051 3.818) 5.950 7.538 ( 10.150 -15.485 9.043) 20.606 9.647 ( -1.754 7.278 -0.574) 7.508 9.707 ( -8.072 10.041 0.400) 12.890 10.456 ( 2.796 -6.469 0.295) 7.053 11.100 ( 2.198 -6.434 0.035) 6.799 18.559 ( -26.913 33.029 5.442) 42.952 22.500 ( 27.888 -38.213 4.141) 47.489 26.731 ( -12.964 14.543 -6.024) 20.392 108.051 ( -1.772 1.223 0.088) 2.155 108.280 ( 2.268 -1.285 -0.183) 2.613 ======================= Grid point 329 (75/285) ======================= q-point: (-0.50 0.19 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 3.752 -6.305 2.794) 7.851 3.269 ( -19.558 13.963 -1.095) 24.055 4.600 ( -3.988 -8.899 -3.075) 10.225 6.262 ( 2.398 12.871 10.415) 16.730 7.075 ( 5.651 -1.908 4.248) 7.323 7.548 ( 8.284 -14.621 10.079) 19.595 9.660 ( -7.817 9.066 0.228) 11.973 9.699 ( 1.855 3.075 0.850) 3.690 10.396 ( -2.300 -6.653 0.281) 7.045 11.074 ( 1.412 -4.154 -0.420) 4.407 18.345 ( -28.787 23.132 3.495) 37.095 22.658 ( 27.441 -27.991 5.051) 39.523 26.561 ( -19.814 9.402 -5.528) 22.617 108.021 ( -2.343 0.444 0.110) 2.388 108.326 ( 3.631 -0.285 -0.096) 3.643 ======================= Grid point 330 (76/285) ======================= q-point: (-0.44 0.19 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -2.708 -3.087 1.568) 4.396 2.996 ( -23.369 7.397 -0.614) 24.520 4.382 ( -11.756 -5.948 -2.779) 13.465 6.496 ( 6.832 15.786 6.874) 18.524 7.133 ( 4.692 -7.587 6.537) 11.059 7.546 ( 5.668 -8.517 8.654) 13.399 9.621 ( -7.196 8.805 0.560) 11.386 9.780 ( 7.071 -4.005 1.625) 8.287 10.251 ( -5.724 -4.540 -0.326) 7.313 11.072 ( 1.094 -0.666 -0.174) 1.293 18.035 ( -25.643 11.952 2.367) 28.390 22.883 ( 22.253 -14.966 4.739) 27.233 26.225 ( -25.533 4.075 -5.128) 26.359 107.982 ( -2.282 0.129 0.193) 2.293 108.397 ( 4.407 0.061 0.086) 4.408 ======================= Grid point 341 (77/285) ======================= q-point: ( 0.25 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -2.283 -3.872 3.217) 5.527 3.434 ( 10.600 17.950 -0.953) 20.869 4.489 ( 1.812 3.576 -3.048) 5.036 6.446 ( -1.665 -7.926 12.131) 14.586 7.065 ( 0.067 -0.385 4.491) 4.508 7.339 ( -7.175 -7.686 8.482) 13.509 9.689 ( -1.454 1.825 -0.263) 2.348 9.806 ( 4.974 6.021 0.370) 7.818 10.298 ( -0.003 2.498 -0.643) 2.580 11.042 ( -0.118 -2.898 0.596) 2.961 18.638 ( 18.397 26.798 4.662) 32.837 22.323 ( -16.696 -25.094 4.363) 30.455 26.653 ( 9.697 17.777 -6.158) 21.165 108.026 ( 1.355 2.193 0.172) 2.583 108.322 ( -2.048 -3.408 -0.122) 3.978 ======================= Grid point 342 (78/285) ======================= q-point: ( 0.31 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -0.404 -9.638 6.341) 11.544 3.724 ( -0.069 19.684 -1.311) 19.728 4.529 ( 4.077 -5.358 -3.025) 7.381 6.343 ( -4.892 1.087 15.092) 15.902 7.038 ( -4.137 -0.883 4.812) 6.407 7.200 ( 5.482 -13.269 6.200) 15.638 9.732 ( -0.777 8.301 -1.234) 8.428 9.923 ( -1.010 9.311 0.921) 9.411 10.301 ( 2.323 -4.947 -0.747) 5.516 11.010 ( 1.357 -5.278 0.571) 5.479 19.179 ( 2.146 38.836 6.071) 39.366 21.823 ( -0.330 -39.136 3.884) 39.330 26.926 ( 2.291 14.264 -6.703) 15.926 108.072 ( 0.847 2.527 0.122) 2.668 108.258 ( -1.193 -3.151 -0.182) 3.374 ======================= Grid point 343 (79/285) ======================= q-point: ( 0.38 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 5.371 -9.378 8.176) 13.552 3.825 ( -10.517 18.078 -1.489) 20.967 4.536 ( 5.645 -9.593 -2.894) 11.500 6.304 ( -3.851 6.151 15.958) 17.531 6.964 ( -0.622 -1.532 3.750) 4.098 7.212 ( 9.145 -12.751 6.447) 16.964 9.790 ( -4.174 9.711 -0.818) 10.602 9.945 ( -6.623 8.460 0.427) 10.753 10.304 ( 5.617 -7.798 -0.106) 9.611 10.988 ( 2.659 -5.660 0.054) 6.254 19.406 ( -24.263 39.611 5.780) 46.810 21.608 ( 24.851 -40.995 4.307) 48.132 27.022 ( -5.513 9.825 -6.769) 13.143 108.096 ( -1.271 2.109 0.061) 2.463 108.228 ( 1.392 -2.324 -0.152) 2.713 ======================= Grid point 345 (80/285) ======================= q-point: (-0.56 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 8.568 -4.440 6.453) 11.609 3.722 ( -17.109 10.044 -1.357) 19.886 4.531 ( 2.721 -6.400 -2.921) 7.543 6.331 ( 0.272 5.877 14.390) 15.546 7.002 ( 3.341 2.663 3.248) 5.367 7.247 ( 9.274 -11.841 8.341) 17.198 9.759 ( -6.019 2.824 -0.035) 6.649 9.895 ( -7.447 6.932 -0.235) 10.176 10.323 ( 3.388 -5.526 0.136) 6.484 10.996 ( 3.162 -2.695 -0.091) 4.156 19.149 ( -35.932 19.803 4.761) 41.302 21.847 ( 34.927 -21.042 4.949) 41.074 26.930 ( -13.226 4.787 -6.514) 15.501 108.071 ( -2.648 0.610 0.078) 2.718 108.259 ( 3.357 -0.617 -0.140) 3.416 ======================= Grid point 359 (81/285) ======================= q-point: ( 0.31 0.31 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -2.971 -5.176 10.436) 12.022 4.069 ( 7.631 13.140 -1.791) 15.301 4.380 ( -4.882 -8.367 -2.477) 9.999 6.382 ( 1.088 1.864 17.975) 18.104 6.994 ( 2.980 -5.456 3.633) 7.200 7.018 ( -6.800 -1.136 4.337) 8.145 9.925 ( 4.148 9.234 -0.808) 10.155 10.055 ( 4.157 2.677 0.716) 4.996 10.173 ( -5.458 -6.561 -0.137) 8.535 10.924 ( -1.221 -2.454 -0.281) 2.755 19.982 ( 21.831 36.551 5.292) 42.902 21.020 ( -21.683 -36.389 4.873) 42.638 27.123 ( 2.736 4.810 -6.973) 8.902 108.125 ( 1.480 2.520 0.012) 2.922 108.196 ( -1.597 -2.724 -0.099) 3.159 ======================= Grid point 542 (82/285) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 285 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -0.000 0.000 15.869) 15.869 0.711 ( 0.000 -0.000 15.869) 15.869 1.289 ( -0.000 -0.000 28.796) 28.796 6.906 ( 0.000 0.000 -6.048) 6.048 6.906 ( 0.000 -0.000 -6.048) 6.048 7.795 ( 0.000 0.000 4.415) 4.415 7.795 ( 0.000 -0.000 4.415) 4.415 10.705 ( -0.000 -0.000 1.018) 1.018 11.388 ( -0.000 0.000 -1.976) 1.976 12.499 ( 0.000 0.000 11.397) 11.397 12.499 ( 0.000 -0.000 11.397) 11.397 23.431 ( 0.000 0.000 -2.158) 2.158 23.431 ( 0.000 -0.000 -2.158) 2.158 107.842 ( -0.000 -0.000 0.753) 0.753 109.436 ( -0.000 0.000 -0.356) 0.356 ======================= Grid point 543 (83/285) ======================= q-point: ( 0.06 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 7.891 4.556 12.710) 15.639 1.034 ( 14.578 8.417 15.468) 22.861 1.426 ( 16.656 9.616 20.557) 28.151 6.889 ( 5.920 3.418 -6.053) 9.131 7.018 ( 1.394 0.805 -3.147) 3.535 7.741 ( 2.175 1.256 2.420) 3.488 8.255 ( 26.111 15.075 -0.073) 30.150 9.797 ( -44.489 -25.686 21.410) 55.654 11.167 ( -3.798 -2.193 -8.615) 9.667 12.463 ( -6.775 -3.911 12.326) 14.599 14.170 ( 82.038 47.364 -31.819) 99.930 23.456 ( 4.821 2.784 -3.127) 6.385 23.526 ( 5.558 3.209 -1.326) 6.554 107.846 ( 0.330 0.191 0.739) 0.832 109.264 ( -11.304 -6.526 5.204) 14.052 ======================= Grid point 544 (84/285) ======================= q-point: ( 0.12 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 12.981 7.495 7.202) 16.630 1.209 ( 4.694 2.710 18.734) 19.502 2.086 ( 33.067 19.091 6.382) 38.712 6.975 ( -4.151 -2.396 2.724) 5.513 7.134 ( 13.618 7.862 -3.569) 16.125 7.892 ( 9.567 5.524 -1.530) 11.153 8.729 ( -0.975 -0.563 12.686) 12.736 9.090 ( -3.238 -1.869 3.261) 4.961 11.095 ( -2.599 -1.501 -9.124) 9.605 12.180 ( -16.854 -9.731 12.631) 23.201 15.676 ( 46.238 26.696 -31.380) 61.930 23.652 ( 11.382 6.571 -4.216) 13.802 23.684 ( 7.276 4.201 -0.662) 8.428 107.859 ( 0.741 0.428 0.687) 1.097 109.009 ( -9.569 -5.525 6.659) 12.901 ======================= Grid point 545 (85/285) ======================= q-point: ( 0.19 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 7.113 4.107 12.106) 14.629 1.388 ( 14.703 8.489 2.986) 17.238 2.868 ( 31.913 18.425 1.855) 36.896 6.857 ( -5.470 -3.158 7.294) 9.649 7.492 ( 15.783 9.112 0.583) 18.234 8.152 ( 11.773 6.797 -3.377) 14.007 8.327 ( -18.585 -10.730 11.487) 24.341 9.440 ( 17.525 10.118 0.721) 20.249 11.052 ( -0.755 -0.436 -7.690) 7.739 11.686 ( -24.157 -13.947 12.089) 30.401 16.515 ( 27.209 15.709 -15.483) 35.027 23.855 ( 6.983 4.032 0.313) 8.070 23.976 ( 15.458 8.925 -5.360) 18.637 107.881 ( 1.108 0.640 0.639) 1.430 108.810 ( -7.440 -4.295 4.430) 9.666 ======================= Grid point 546 (86/285) ======================= q-point: ( 0.25 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 9.293 5.365 4.981) 11.830 1.735 ( 14.224 8.212 0.250) 16.426 3.571 ( 26.967 15.570 -1.143) 31.160 6.723 ( -5.852 -3.379 11.158) 13.044 7.845 ( 12.616 7.284 4.944) 15.384 7.949 ( -12.539 -7.239 7.989) 16.536 8.431 ( 11.454 6.613 -3.915) 13.793 9.808 ( 13.545 7.820 1.349) 15.699 11.068 ( 2.184 1.261 -5.064) 5.657 11.071 ( -26.787 -15.465 10.730) 32.739 17.043 ( 18.085 10.441 -2.557) 21.039 24.012 ( 6.334 3.657 1.118) 7.398 24.361 ( 16.519 9.537 -6.576) 20.176 107.910 ( 1.345 0.776 0.609) 1.668 108.649 ( -6.148 -3.549 2.264) 7.451 ======================= Grid point 547 (87/285) ======================= q-point: ( 0.31 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 9.571 5.526 0.037) 11.051 2.050 ( 12.119 6.997 -1.404) 14.064 4.134 ( 20.307 11.724 -3.710) 23.740 6.574 ( -6.791 -3.921 14.985) 16.913 7.676 ( -9.065 -5.233 7.203) 12.706 8.120 ( 8.798 5.080 8.336) 13.142 8.685 ( 9.802 5.659 -4.014) 12.009 10.098 ( 11.259 6.500 0.201) 13.002 10.460 ( -23.838 -13.763 8.759) 28.886 11.147 ( 4.094 2.364 -2.246) 5.234 17.387 ( 11.047 6.378 6.465) 14.300 24.160 ( 6.179 3.567 1.582) 7.308 24.738 ( 14.896 8.600 -7.803) 18.888 107.943 ( 1.398 0.807 0.569) 1.711 108.517 ( -4.971 -2.870 0.771) 5.791 ======================= Grid point 548 (88/285) ======================= q-point: ( 0.38 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 8.208 4.739 -2.293) 9.751 2.299 ( 8.707 5.027 -2.291) 10.311 4.532 ( 13.335 7.699 -5.774) 16.445 6.400 ( -7.814 -4.511 18.580) 20.655 7.507 ( -5.343 -3.085 7.483) 9.699 8.270 ( 4.056 2.342 10.177) 11.203 8.888 ( 7.214 4.165 -4.020) 9.250 9.980 ( -16.021 -9.250 6.744) 19.690 10.348 ( 9.701 5.601 -0.331) 11.207 11.245 ( 3.889 2.245 -0.441) 4.512 17.566 ( 4.071 2.351 12.122) 13.002 24.308 ( 6.324 3.651 2.018) 7.576 25.052 ( 11.285 6.515 -8.853) 15.754 107.975 ( 1.202 0.694 0.496) 1.473 108.415 ( -3.587 -2.071 -0.104) 4.144 ======================= Grid point 549 (89/285) ======================= q-point: ( 0.44 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 5.597 3.231 -2.575) 6.957 2.455 ( 4.260 2.460 -2.623) 5.575 4.771 ( 6.926 3.999 -7.003) 10.630 6.218 ( -7.089 -4.093 20.855) 22.405 7.416 ( -2.441 -1.410 7.874) 8.364 8.329 ( 1.350 0.779 10.836) 10.948 9.022 ( 3.973 2.294 -4.010) 6.093 9.717 ( -5.995 -3.461 5.676) 8.952 10.545 ( 6.567 3.792 0.048) 7.584 11.317 ( 1.926 1.112 0.243) 2.237 17.588 ( -1.967 -1.136 14.586) 14.762 24.454 ( 5.778 3.336 2.779) 7.227 25.264 ( 6.421 3.707 -9.485) 12.039 107.997 ( 0.655 0.378 0.392) 0.851 108.350 ( -1.856 -1.072 -0.503) 2.202 ======================= Grid point 550 (90/285) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 1.892 1.092 -1.696) 2.766 2.496 ( -0.779 -0.450 -2.530) 2.685 4.863 ( 0.746 0.431 -7.247) 7.298 6.083 ( -3.930 -2.269 20.628) 21.121 7.388 ( 0.076 0.044 7.994) 7.995 8.350 ( 0.677 0.391 11.187) 11.214 9.077 ( 0.712 0.411 -3.803) 3.891 9.688 ( 3.168 1.829 6.097) 7.110 10.643 ( 1.444 0.834 0.511) 1.744 11.328 ( -1.095 -0.632 0.197) 1.279 17.493 ( -5.493 -3.172 14.203) 15.555 24.568 ( 3.474 2.006 3.806) 5.530 25.352 ( 0.985 0.569 -9.504) 9.572 108.003 ( -0.201 -0.116 0.294) 0.375 108.330 ( 0.180 0.104 -0.565) 0.602 ======================= Grid point 552 (91/285) ======================= q-point: (-0.44 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -2.573 -1.486 -0.302) 2.986 2.419 ( -5.653 -3.264 -2.153) 6.873 4.801 ( -6.131 -3.540 -6.628) 9.698 6.037 ( -0.061 -0.035 17.778) 17.778 7.421 ( 2.800 1.617 7.786) 8.431 8.368 ( 0.903 0.521 11.831) 11.877 9.059 ( -2.187 -1.263 -3.243) 4.110 9.851 ( 10.266 5.927 7.577) 14.069 10.603 ( -4.940 -2.852 0.365) 5.716 11.267 ( -3.868 -2.233 -0.329) 4.478 17.351 ( -6.015 -3.473 11.765) 13.662 24.602 ( -0.881 -0.509 4.558) 4.670 25.311 ( -4.394 -2.537 -8.825) 10.180 107.989 ( -0.919 -0.530 0.269) 1.095 108.357 ( 2.087 1.205 -0.392) 2.442 ======================= Grid point 553 (92/285) ======================= q-point: (-0.38 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -6.921 -3.996 1.536) 8.138 2.236 ( -9.578 -5.530 -1.622) 11.178 4.565 ( -13.816 -7.977 -5.332) 16.821 6.071 ( 2.677 1.545 13.362) 13.715 7.520 ( 5.493 3.171 7.295) 9.667 8.388 ( 0.588 0.340 12.801) 12.819 8.975 ( -4.787 -2.764 -2.392) 6.022 10.160 ( 15.444 8.917 9.170) 20.053 10.406 ( -11.591 -6.692 -0.615) 13.399 11.162 ( -4.592 -2.651 -1.368) 5.476 17.222 ( -4.823 -2.785 8.157) 9.877 24.516 ( -6.481 -3.742 4.356) 8.659 25.149 ( -9.148 -5.282 -7.510) 12.961 107.963 ( -1.241 -0.717 0.330) 1.471 108.426 ( 3.614 2.087 0.044) 4.174 ======================= Grid point 554 (93/285) ======================= q-point: (-0.31 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -10.032 -5.792 4.229) 12.332 1.976 ( -12.125 -7.000 -0.801) 14.023 4.147 ( -21.346 -12.324 -3.483) 24.893 6.153 ( 4.044 2.335 8.656) 9.835 7.674 ( 7.221 4.169 6.849) 10.790 8.381 ( -1.597 -0.922 13.184) 13.312 8.836 ( -6.895 -3.981 -1.322) 8.071 10.070 ( -16.163 -9.332 -1.669) 18.738 10.568 ( 18.703 10.798 10.036) 23.815 11.067 ( -3.073 -1.774 -3.277) 4.831 17.116 ( -4.498 -2.597 3.641) 6.344 24.299 ( -11.599 -6.697 2.843) 13.691 24.886 ( -12.796 -7.388 -5.774) 15.864 107.932 ( -1.290 -0.745 0.427) 1.549 108.527 ( 4.873 2.813 0.895) 5.697 ======================= Grid point 555 (94/285) ======================= q-point: (-0.25 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -11.032 -6.369 8.339) 15.226 1.672 ( -13.235 -7.641 0.751) 15.301 3.563 ( -27.638 -15.957 -1.162) 31.935 6.258 ( 4.827 2.787 4.341) 7.065 7.842 ( 5.927 3.422 7.155) 9.901 8.299 ( -5.048 -2.914 11.051) 12.494 8.653 ( -8.457 -4.883 -0.120) 9.766 9.680 ( -15.748 -9.092 -1.384) 18.236 11.023 ( -0.611 -0.353 -5.899) 5.941 11.033 ( 20.164 11.641 10.040) 25.355 16.976 ( -8.300 -4.792 -2.843) 9.997 23.988 ( -13.999 -8.083 0.372) 16.169 24.554 ( -14.954 -8.634 -3.961) 17.716 107.903 ( -1.182 -0.682 0.521) 1.461 108.656 ( 6.008 3.469 2.338) 7.321 ======================= Grid point 556 (95/285) ======================= q-point: (-0.19 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -13.052 -7.536 3.522) 15.478 1.412 ( -9.537 -5.506 13.964) 17.784 2.852 ( -31.896 -18.415 1.761) 36.872 6.383 ( 5.776 3.335 0.568) 6.694 7.826 ( -9.835 -5.678 5.358) 12.557 8.248 ( 2.999 1.732 8.758) 9.418 8.439 ( -9.477 -5.472 1.127) 11.001 9.368 ( -9.531 -5.503 0.908) 11.043 11.036 ( 1.614 0.932 -8.245) 8.453 11.511 ( 19.836 11.452 9.715) 24.880 16.657 ( -20.410 -11.784 -13.789) 27.305 23.671 ( -11.870 -6.853 -1.828) 13.828 24.191 ( -15.280 -8.822 -2.466) 17.815 107.877 ( -0.967 -0.558 0.601) 1.268 108.813 ( 7.322 4.227 4.461) 9.559 ======================= Grid point 557 (96/285) ======================= q-point: (-0.12 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -11.600 -6.697 7.745) 15.472 1.219 ( -6.847 -3.953 19.197) 20.761 2.077 ( -32.505 -18.767 6.491) 38.091 6.535 ( 7.071 4.082 -2.633) 8.579 7.483 ( -16.217 -9.363 0.106) 18.726 8.208 ( -9.833 -5.677 2.385) 11.602 8.293 ( -3.658 -2.112 5.089) 6.614 9.319 ( 8.563 4.944 9.149) 13.471 11.091 ( 2.825 1.631 -9.444) 9.991 11.956 ( 17.314 9.996 9.717) 22.229 15.895 ( -46.810 -27.026 -29.624) 61.638 23.457 ( -5.783 -3.339 -2.557) 7.151 23.846 ( -13.421 -7.748 -1.621) 15.581 107.858 ( -0.665 -0.384 0.677) 1.024 109.010 ( 9.504 5.487 6.665) 12.840 ======================= Grid point 558 (97/285) ======================= q-point: (-0.06 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -8.078 -4.664 12.883) 15.905 1.010 ( -14.699 -8.487 15.343) 22.880 1.431 ( -16.625 -9.598 20.707) 28.236 6.717 ( 8.138 4.698 -5.075) 10.679 7.138 ( -12.004 -6.931 -3.447) 14.283 7.981 ( -9.100 -5.254 3.638) 11.120 8.016 ( -16.956 -9.790 -1.063) 19.608 9.872 ( 38.220 22.066 20.842) 48.806 11.167 ( 3.994 2.306 -8.590) 9.750 12.309 ( 11.953 6.901 10.347) 17.251 14.305 ( -87.440 -50.484 -30.576) 105.496 23.395 ( 0.059 0.034 -2.477) 2.478 23.574 ( -9.126 -5.269 -1.559) 10.652 107.846 ( -0.312 -0.180 0.738) 0.821 109.265 ( 11.286 6.516 5.204) 14.033 ======================= Grid point 560 (98/285) ======================= q-point: ( 0.06 0.06 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 7.241 14.252 9.038) 18.364 1.175 ( 3.556 5.655 19.381) 20.500 1.860 ( 17.655 30.089 8.610) 35.933 6.778 ( 15.586 -8.560 -4.272) 18.287 7.195 ( -9.256 12.692 1.225) 15.757 7.957 ( -3.208 13.632 0.548) 14.016 8.533 ( 22.374 9.976 2.960) 24.675 9.288 ( -20.055 -16.429 13.217) 29.100 11.111 ( -1.632 -3.018 -9.384) 9.991 12.167 ( -1.022 -19.948 11.190) 22.895 15.467 ( 24.822 60.646 -33.925) 73.790 23.451 ( 5.380 0.142 -1.725) 5.652 23.754 ( 5.327 15.606 -2.657) 16.703 107.854 ( 0.376 0.587 0.700) 0.988 109.073 ( -5.969 -10.278 6.915) 13.750 ======================= Grid point 561 (99/285) ======================= q-point: ( 0.12 0.06 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 4.391 6.152 15.019) 16.814 1.337 ( 8.995 17.824 4.955) 20.571 2.555 ( 26.161 25.389 2.846) 36.566 6.974 ( 4.229 -1.035 0.571) 4.391 7.178 ( 6.535 2.258 4.215) 8.097 8.061 ( 1.429 2.655 2.325) 3.808 8.683 ( -13.621 6.867 8.064) 17.254 9.211 ( 16.295 7.871 0.014) 18.096 11.054 ( -1.304 -2.389 -8.533) 8.957 11.827 ( -12.304 -22.117 11.901) 27.968 16.329 ( 20.157 32.092 -20.808) 43.234 23.565 ( 9.484 -4.524 -0.037) 10.508 24.069 ( 7.394 22.647 -4.600) 24.263 107.872 ( 0.777 0.814 0.648) 1.298 108.875 ( -6.115 -6.985 5.305) 10.692 ======================= Grid point 562 (100/285) ======================= q-point: ( 0.19 0.06 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 6.862 6.816 8.060) 12.590 1.692 ( 8.509 19.862 1.814) 21.684 3.261 ( 26.572 19.246 -0.300) 32.811 6.894 ( -11.087 6.104 8.690) 15.352 7.468 ( 23.543 -8.588 3.394) 25.289 7.966 ( -5.321 -10.377 6.968) 13.585 8.657 ( -8.016 25.447 -1.171) 26.706 9.603 ( 17.280 5.784 1.623) 18.295 11.011 ( -0.868 -5.760 -5.766) 8.196 11.325 ( -17.902 -17.492 10.697) 27.219 16.907 ( 15.415 20.976 -7.506) 27.091 23.683 ( 12.565 -11.044 1.172) 16.770 24.460 ( 6.808 27.906 -5.933) 29.331 107.898 ( 1.093 0.998 0.612) 1.602 108.709 ( -5.535 -5.268 3.054) 8.229 ======================= Grid point 563 (101/285) ======================= q-point: ( 0.25 0.06 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 8.496 6.403 2.241) 10.872 2.032 ( 6.514 19.793 -0.305) 20.840 3.872 ( 22.847 13.428 -2.767) 26.645 6.746 ( -11.949 4.996 12.969) 18.329 7.652 ( 4.654 -16.973 6.372) 18.718 7.881 ( 10.199 -0.946 6.689) 12.234 8.815 ( -3.818 22.877 -2.167) 23.294 9.929 ( 13.713 3.976 0.839) 14.302 10.652 ( -17.889 -21.669 6.898) 28.933 11.133 ( 0.494 2.593 -0.862) 2.777 17.328 ( 10.021 17.007 2.416) 19.887 23.785 ( 15.429 -17.414 1.677) 23.326 24.865 ( 4.593 30.327 -7.016) 31.465 107.930 ( 1.244 1.125 0.581) 1.775 108.569 ( -4.804 -4.182 1.329) 6.507 ======================= Grid point 564 (102/285) ======================= q-point: ( 0.31 0.06 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 8.569 4.654 -1.084) 9.811 2.319 ( 3.427 18.414 -1.598) 18.798 4.339 ( 17.106 8.121 -4.871) 19.553 6.570 ( -12.337 2.817 16.911) 21.122 7.506 ( -1.883 -10.318 6.891) 12.550 8.088 ( 12.829 -4.884 9.090) 16.464 8.968 ( -2.394 17.317 -2.522) 17.663 10.068 ( -6.150 -14.548 4.236) 16.353 10.268 ( 2.257 2.055 1.826) 3.557 11.203 ( 3.430 2.307 -0.180) 4.137 17.608 ( 2.623 15.315 9.279) 18.098 23.880 ( 18.702 -22.945 1.740) 29.652 25.229 ( 0.861 30.512 -7.937) 31.539 107.963 ( 1.161 1.177 0.526) 1.735 108.454 ( -3.779 -3.249 0.230) 4.989 ======================= Grid point 565 (103/285) ======================= q-point: ( 0.38 0.06 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 7.384 1.998 -2.048) 7.918 2.524 ( -0.570 16.163 -2.223) 16.325 4.648 ( 11.014 3.471 -6.388) 13.197 6.375 ( -11.723 1.640 20.075) 23.305 7.395 ( -0.518 -7.132 7.304) 10.221 8.216 ( 8.192 -6.205 11.008) 15.059 9.083 ( -1.987 12.602 -3.207) 13.155 9.764 ( -7.128 -9.960 4.585) 13.078 10.451 ( 8.236 3.828 -0.043) 9.083 11.280 ( 3.124 0.599 0.597) 3.236 17.732 ( -5.607 14.122 13.181) 20.116 23.981 ( 21.657 -27.294 1.862) 34.892 25.510 ( -4.113 29.179 -8.513) 30.672 107.993 ( 0.747 1.099 0.436) 1.398 108.370 ( -2.350 -2.302 -0.350) 3.308 ======================= Grid point 566 (104/285) ======================= q-point: ( 0.44 0.06 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 5.090 -1.062 -1.483) 5.407 2.625 ( -5.285 13.555 -2.349) 14.737 4.807 ( 5.259 -0.585 -7.040) 8.807 6.207 ( -9.193 2.815 21.171) 23.252 7.340 ( 1.613 -5.480 7.527) 9.449 8.269 ( 5.442 -6.235 11.920) 14.512 9.152 ( -3.067 9.588 -3.480) 10.651 9.641 ( 0.586 -3.161 4.363) 5.420 10.595 ( 4.818 0.739 0.322) 4.885 11.315 ( 1.185 -1.652 0.696) 2.149 17.709 ( -12.181 13.129 14.154) 22.827 24.082 ( 22.702 -30.343 2.372) 37.969 25.674 ( -9.846 26.719 -8.561) 29.735 108.009 ( -0.077 0.783 0.330) 0.853 108.326 ( -0.452 -1.222 -0.549) 1.413 ======================= Grid point 567 (105/285) ======================= q-point: (-0.50 0.06 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 1.578 -3.941 -0.346) 4.259 2.613 ( -10.317 11.122 -2.136) 15.320 4.822 ( -0.858 -4.322 -6.849) 8.144 6.118 ( -5.448 5.470 19.531) 21.001 7.343 ( 4.246 -3.917 7.516) 9.480 8.291 ( 4.311 -6.137 12.366) 14.462 9.171 ( -5.241 8.494 -3.047) 10.436 9.707 ( 8.207 0.298 5.484) 9.875 10.625 ( -0.576 -2.687 0.454) 2.785 11.285 ( -1.450 -3.661 0.328) 3.952 17.591 ( -15.239 12.427 12.713) 23.416 24.152 ( 20.717 -32.041 3.119) 38.283 25.704 ( -15.750 23.246 -8.064) 29.214 108.005 ( -0.994 0.284 0.265) 1.067 108.330 ( 1.601 -0.063 -0.489) 1.675 ======================= Grid point 568 (106/285) ======================= q-point: (-0.44 0.06 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -2.809 -6.082 0.905) 6.760 2.490 ( -15.008 9.085 -1.674) 17.623 4.680 ( -8.211 -8.055 -5.988) 12.968 6.123 ( -2.201 8.293 15.753) 17.937 7.413 ( 7.048 -1.932 7.306) 10.333 8.292 ( 3.623 -8.087 12.588) 15.395 9.144 ( -7.852 9.158 -1.949) 12.219 9.927 ( 15.114 1.442 7.289) 16.842 10.513 ( -7.159 -5.844 -0.163) 9.243 11.199 ( -3.219 -4.152 -0.328) 5.264 17.443 ( -14.879 11.634 9.749) 21.255 24.150 ( 15.845 -32.059 3.652) 35.947 25.591 ( -21.166 18.797 -7.232) 29.217 107.983 ( -1.494 -0.099 0.291) 1.525 108.379 ( 3.310 0.884 -0.220) 3.433 ======================= Grid point 569 (107/285) ======================= q-point: (-0.38 0.06 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -6.958 -7.091 2.519) 10.249 2.273 ( -18.642 7.324 -0.857) 20.047 4.361 ( -16.262 -11.460 -4.563) 20.411 6.199 ( -0.685 10.920 11.092) 15.581 7.550 ( 9.259 -0.026 6.926) 11.563 8.240 ( 2.629 -13.590 12.217) 18.462 9.088 ( -10.476 12.118 -0.138) 16.019 10.184 ( -0.178 -8.701 2.840) 9.155 10.331 ( 7.266 1.571 4.411) 8.644 11.105 ( -3.065 -2.455 -1.318) 4.142 17.305 ( -13.059 9.763 5.903) 17.341 24.055 ( 9.246 -29.730 3.567) 31.338 25.342 ( -25.313 13.576 -6.388) 29.425 107.953 ( -1.605 -0.278 0.380) 1.673 108.463 ( 4.700 1.526 0.358) 4.955 ======================= Grid point 570 (108/285) ======================= q-point: (-0.31 0.06 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -9.666 -6.826 5.168) 12.912 1.987 ( -20.683 5.712 0.592) 21.466 3.873 ( -23.874 -13.524 -2.697) 27.571 6.313 ( -0.642 13.282 6.588) 14.840 7.733 ( 10.009 1.613 6.754) 12.182 8.096 ( 1.324 -21.270 10.737) 23.863 9.018 ( -14.117 16.075 1.668) 21.459 9.843 ( -15.384 -12.803 -1.661) 20.084 10.711 ( 22.599 2.982 7.463) 23.985 11.055 ( -1.029 1.009 -1.882) 2.371 17.162 ( -12.809 5.691 0.872) 14.043 23.878 ( 2.583 -24.321 2.668) 24.603 24.981 ( -27.278 8.054 -5.673) 29.002 107.922 ( -1.518 -0.314 0.479) 1.622 108.576 ( 5.953 1.896 1.416) 6.406 ======================= Grid point 571 (109/285) ======================= q-point: (-0.25 0.06 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -10.173 -5.269 9.413) 14.828 1.665 ( -20.911 3.959 2.937) 21.484 3.249 ( -30.342 -13.200 -0.390) 33.091 6.447 ( -0.878 15.463 2.581) 15.702 7.817 ( -3.974 -16.355 7.850) 18.572 7.965 ( 12.575 -7.882 7.595) 16.672 8.891 ( -19.821 16.904 1.678) 26.104 9.459 ( -11.592 -12.473 -0.413) 17.033 10.996 ( 4.666 -1.086 -6.562) 8.124 11.242 ( 20.080 7.929 9.879) 23.741 16.925 ( -17.934 -1.231 -6.998) 19.290 23.670 ( -2.234 -15.550 1.124) 15.749 24.555 ( -26.337 2.897 -4.900) 26.945 107.893 ( -1.321 -0.253 0.563) 1.458 108.713 ( 7.254 1.994 3.096) 8.135 ======================= Grid point 572 (110/285) ======================= q-point: (-0.19 0.06 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -10.164 -1.372 12.560) 16.216 1.335 ( -17.552 0.260 8.441) 19.478 2.546 ( -35.021 -9.211 2.790) 36.319 6.602 ( -0.666 17.502 -1.024) 17.544 7.504 ( -6.250 -21.859 4.814) 23.239 8.102 ( 4.490 -3.969 5.720) 8.285 8.687 ( -17.896 13.371 3.411) 22.599 9.215 ( -2.641 -8.726 2.380) 9.423 11.050 ( 2.943 0.411 -8.802) 9.290 11.716 ( 21.854 8.641 10.448) 25.718 16.432 ( -33.508 -9.558 -19.775) 40.065 23.507 ( -3.726 -4.673 -0.423) 5.992 24.125 ( -22.474 -1.124 -3.867) 22.832 107.870 ( -1.044 -0.128 0.634) 1.228 108.876 ( 9.065 1.684 5.315) 10.642 ======================= Grid point 577 (111/285) ======================= q-point: ( 0.12 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 3.286 9.056 9.991) 13.879 1.737 ( 12.211 19.919 3.203) 23.582 3.100 ( 16.112 27.095 -0.359) 31.525 6.858 ( 20.909 -8.190 1.195) 22.487 7.350 ( -16.388 12.122 9.379) 22.438 7.954 ( -4.323 -8.893 7.001) 12.115 9.039 ( -1.785 22.805 -1.191) 22.906 9.337 ( 14.638 4.366 2.286) 15.446 10.986 ( -2.837 -5.471 -6.899) 9.251 11.357 ( -8.993 -21.234 10.831) 25.477 16.900 ( 11.938 22.995 -9.356) 27.547 23.499 ( -0.660 -1.748 2.215) 2.898 24.570 ( 12.174 25.485 -6.165) 28.909 107.892 ( 0.802 1.159 0.596) 1.531 108.733 ( -3.990 -6.713 3.380) 8.509 ======================= Grid point 578 (112/285) ======================= q-point: ( 0.19 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 5.293 8.161 4.513) 10.723 2.146 ( 8.407 23.105 1.177) 24.615 3.647 ( 18.637 18.231 -2.591) 26.200 7.054 ( -5.120 6.495 7.192) 10.960 7.246 ( 8.666 -9.817 9.484) 16.169 7.815 ( -1.594 -4.981 6.988) 8.728 9.174 ( -7.937 23.533 -1.426) 24.876 9.687 ( 17.457 2.806 1.375) 17.734 10.697 ( -13.419 -21.144 2.831) 25.202 11.143 ( -0.682 -2.618 2.588) 3.744 17.337 ( 11.981 20.438 -0.879) 23.708 23.453 ( 3.033 -11.168 3.545) 12.103 25.049 ( 9.803 28.690 -7.464) 31.224 107.922 ( 1.083 1.334 0.565) 1.809 108.599 ( -4.057 -5.342 1.701) 6.920 ======================= Grid point 579 (113/285) ======================= q-point: ( 0.25 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 6.409 5.603 0.837) 8.554 2.497 ( 3.494 24.320 -0.445) 24.573 4.117 ( 17.250 10.346 -4.269) 20.562 6.885 ( -16.787 6.892 14.994) 23.540 7.325 ( 9.247 -13.960 6.345) 17.906 7.833 ( 7.902 -3.708 9.043) 12.568 9.257 ( -7.346 19.309 -1.021) 20.684 9.945 ( 7.523 -4.269 1.259) 8.741 10.278 ( -7.631 -11.236 3.009) 13.912 11.162 ( 2.792 0.062 1.184) 3.033 17.730 ( 7.130 21.945 5.702) 23.769 23.386 ( 8.386 -20.967 3.805) 22.900 25.490 ( 5.745 29.556 -8.439) 31.270 107.957 ( 1.167 1.491 0.522) 1.964 108.481 ( -3.605 -4.264 0.531) 5.609 ======================= Grid point 580 (114/285) ======================= q-point: ( 0.31 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 6.459 1.829 -0.441) 6.727 2.762 ( -1.555 23.622 -1.465) 23.718 4.464 ( 13.353 3.941 -5.574) 14.997 6.649 ( -15.160 3.762 18.848) 24.479 7.300 ( 2.055 -8.566 6.509) 10.953 7.950 ( 11.064 -8.957 11.742) 18.453 9.313 ( -6.337 15.575 -1.725) 16.903 9.782 ( -6.785 -10.101 2.525) 12.428 10.331 ( 8.651 2.348 -0.135) 8.965 11.217 ( 3.614 -1.280 1.494) 4.115 18.018 ( -2.091 24.564 10.339) 26.733 23.334 ( 15.214 -29.557 3.528) 33.429 25.848 ( 0.649 28.516 -9.169) 29.961 107.992 ( 0.951 1.606 0.448) 1.919 108.386 ( -2.666 -3.330 -0.149) 4.268 ======================= Grid point 581 (115/285) ======================= q-point: ( 0.38 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 5.788 -2.217 0.168) 6.201 2.923 ( -6.552 21.689 -1.886) 22.735 4.673 ( 8.552 -1.064 -6.353) 10.707 6.444 ( -12.286 4.537 21.160) 24.885 7.246 ( 1.137 -6.726 6.732) 9.584 8.030 ( 10.220 -11.844 13.412) 20.606 9.354 ( -5.416 12.949 -2.545) 14.265 9.634 ( -3.250 -1.455 1.750) 3.967 10.489 ( 7.191 -0.365 0.014) 7.200 11.252 ( 2.870 -3.511 1.444) 4.759 18.148 ( -12.647 26.200 12.612) 31.709 23.329 ( 21.687 -35.262 3.441) 41.540 26.089 ( -5.202 25.970 -9.502) 28.138 108.020 ( 0.267 1.556 0.349) 1.617 108.322 ( -1.136 -2.410 -0.447) 2.701 ======================= Grid point 582 (116/285) ======================= q-point: ( 0.44 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 4.255 -5.221 1.329) 6.865 2.973 ( -11.484 19.263 -1.884) 22.505 4.749 ( 3.499 -4.928 -6.491) 8.869 6.318 ( -8.673 7.574 20.887) 23.851 7.217 ( 3.334 -5.855 6.723) 9.518 8.079 ( 9.138 -12.012 14.336) 20.816 9.387 ( -5.775 12.591 -2.457) 14.068 9.619 ( 1.267 1.563 2.076) 2.891 10.567 ( 3.536 -3.516 0.248) 4.992 11.241 ( 1.063 -5.460 1.045) 5.660 18.116 ( -20.491 25.789 12.429) 35.205 23.375 ( 25.001 -37.120 3.935) 44.927 26.189 ( -11.486 22.210 -9.354) 26.697 108.029 ( -0.869 1.131 0.263) 1.451 108.300 ( 0.949 -1.302 -0.486) 1.683 ======================= Grid point 584 (117/285) ======================= q-point: (-0.50 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 1.170 -6.493 1.938) 6.877 2.911 ( -16.250 16.683 -1.623) 23.346 4.692 ( -2.597 -8.050 -6.129) 10.446 6.292 ( -4.942 11.015 18.081) 21.741 7.253 ( 6.581 -4.254 6.773) 10.357 8.101 ( 6.838 -12.023 14.732) 20.208 9.399 ( -7.634 12.777 -1.619) 14.971 9.714 ( 8.254 0.579 3.560) 9.007 10.534 ( -1.963 -6.057 -0.062) 6.367 11.184 ( -0.714 -5.760 0.575) 5.833 17.971 ( -23.511 23.275 10.441) 34.692 23.441 ( 23.814 -35.276 4.713) 42.822 26.133 ( -17.764 17.507 -8.825) 26.456 108.014 ( -1.714 0.532 0.255) 1.812 108.327 ( 2.858 -0.206 -0.361) 2.888 ======================= Grid point 585 (118/285) ======================= q-point: (-0.44 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -3.196 -6.427 2.205) 7.509 2.740 ( -20.424 13.799 -1.071) 24.672 4.485 ( -10.151 -10.270 -5.328) 15.392 6.364 ( -2.078 14.715 13.770) 20.260 7.360 ( 9.409 -2.993 6.876) 12.032 8.059 ( 2.849 -13.627 14.174) 19.867 9.388 ( -8.307 13.264 -0.189) 15.652 9.916 ( 14.496 -2.490 5.311) 15.638 10.372 ( -7.573 -7.504 -0.992) 10.707 11.115 ( -1.287 -3.422 0.323) 3.670 17.775 ( -22.602 18.813 7.490) 30.346 23.487 ( 19.003 -30.200 5.188) 36.056 25.919 ( -23.433 12.223 -8.156) 27.659 107.984 ( -1.946 0.155 0.333) 1.980 108.393 ( 4.278 0.487 -0.045) 4.306 ======================= Grid point 586 (119/285) ======================= q-point: (-0.38 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -7.286 -5.547 3.164) 9.688 2.473 ( -23.272 10.264 -0.050) 25.435 4.125 ( -18.096 -10.313 -4.156) 21.239 6.508 ( -1.457 18.579 9.156) 20.764 7.512 ( 11.590 -4.861 7.238) 14.503 7.921 ( -1.501 -14.854 12.418) 19.419 9.382 ( -8.647 14.776 1.440) 17.181 9.948 ( -9.350 -13.099 -0.016) 16.094 10.342 ( 16.681 -0.965 4.013) 17.184 11.078 ( -0.800 0.116 0.276) 0.854 17.554 ( -20.479 12.493 3.828) 24.292 23.497 ( 12.500 -22.147 4.955) 25.909 25.559 ( -27.675 6.844 -7.559) 29.493 107.950 ( -1.868 0.010 0.438) 1.918 108.487 ( 5.485 0.751 0.605) 5.569 ======================= Grid point 587 (120/285) ======================= q-point: (-0.31 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -9.621 -3.955 5.685) 11.855 2.131 ( -24.263 5.727 1.484) 24.974 3.645 ( -25.451 -6.884 -2.607) 26.494 6.681 ( -2.534 21.793 4.947) 22.491 7.579 ( 5.345 -21.963 10.456) 24.906 7.800 ( 3.456 -0.590 7.588) 8.358 9.369 ( -12.286 16.903 2.019) 20.994 9.541 ( -15.589 -16.512 -1.591) 22.764 10.719 ( 23.073 -1.039 2.798) 23.265 11.101 ( 2.946 2.828 2.290) 4.682 17.286 ( -20.491 4.973 -1.294) 21.125 23.488 ( 6.295 -11.523 3.917) 13.702 25.090 ( -29.521 1.887 -7.008) 30.400 107.919 ( -1.667 0.015 0.529) 1.749 108.602 ( 6.629 0.597 1.732) 6.877 ======================= Grid point 595 (121/285) ======================= q-point: ( 0.19 0.19 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 2.483 7.404 2.533) 8.210 2.603 ( 12.714 20.836 0.323) 24.411 4.003 ( 9.168 16.200 -4.173) 19.076 6.929 ( 17.661 -12.122 7.779) 22.790 7.271 ( -17.892 4.560 11.416) 21.707 7.755 ( -1.449 -0.521 9.911) 10.030 9.555 ( -2.790 10.684 1.131) 11.100 9.760 ( 8.762 6.161 -0.308) 10.715 10.308 ( -10.391 -14.256 2.589) 17.830 11.108 ( 2.086 -1.403 1.619) 2.990 17.742 ( 16.218 19.097 3.440) 25.289 23.225 ( -9.798 -11.034 5.395) 15.711 25.611 ( 12.679 25.520 -8.474) 29.729 107.952 ( 1.127 1.623 0.489) 2.035 108.493 ( -3.013 -4.934 0.676) 5.820 ======================= Grid point 596 (122/285) ======================= q-point: ( 0.25 0.19 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 3.083 2.900 1.379) 4.452 2.990 ( 5.176 22.868 -0.803) 23.460 4.295 ( 10.096 6.992 -5.077) 13.289 6.905 ( -8.180 -6.876 16.041) 19.274 7.173 ( 2.539 0.501 6.983) 7.447 7.728 ( 2.302 -6.331 13.021) 14.660 9.585 ( -7.047 11.900 -0.065) 13.830 9.786 ( -2.145 -6.436 1.631) 6.978 10.217 ( 5.161 1.890 -0.963) 5.580 11.133 ( 2.914 -2.749 1.925) 4.444 18.221 ( 10.697 25.671 7.365) 28.769 22.931 ( -2.821 -23.244 5.737) 24.108 26.051 ( 7.487 24.540 -9.633) 27.406 107.991 ( 1.177 1.836 0.427) 2.222 108.396 ( -2.688 -4.000 0.009) 4.820 ======================= Grid point 597 (123/285) ======================= q-point: ( 0.31 0.19 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 3.467 -2.144 2.428) 4.745 3.250 ( -2.544 23.161 -1.565) 23.353 4.500 ( 9.009 -0.414 -5.554) 10.592 6.692 ( -10.694 0.511 19.710) 22.430 7.187 ( -0.408 -2.523 6.752) 7.220 7.715 ( 8.123 -13.535 14.840) 21.666 9.561 ( -5.151 7.103 -1.532) 8.907 9.736 ( -4.129 6.969 0.552) 8.118 10.346 ( 7.142 -1.057 -0.657) 7.250 11.149 ( 3.241 -5.146 1.719) 6.319 18.608 ( -1.941 32.562 10.180) 34.172 22.677 ( 8.381 -34.217 5.446) 35.647 26.372 ( 1.466 22.061 -10.420) 24.442 108.029 ( 0.821 2.033 0.336) 2.218 108.318 ( -1.776 -3.244 -0.315) 3.711 ======================= Grid point 598 (124/285) ======================= q-point: ( 0.38 0.19 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 4.133 -5.733 4.353) 8.300 3.376 ( -9.094 21.673 -1.833) 23.575 4.606 ( 6.257 -5.349 -5.709) 10.018 6.552 ( -8.805 6.242 21.483) 24.041 7.133 ( -0.498 -4.249 6.370) 7.673 7.743 ( 11.546 -15.471 15.462) 24.734 9.574 ( -2.731 8.688 -1.780) 9.279 9.738 ( -6.422 10.433 -0.006) 12.251 10.434 ( 6.097 -4.852 -0.130) 7.794 11.140 ( 2.776 -7.069 1.166) 7.684 18.789 ( -17.498 35.511 11.233) 41.151 22.555 ( 20.943 -39.698 5.387) 45.206 26.548 ( -5.133 18.372 -10.712) 21.878 108.056 ( -0.299 1.940 0.239) 1.977 108.272 ( 0.025 -2.428 -0.401) 2.461 ======================= Grid point 599 (125/285) ======================= q-point: (-0.56 0.19 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 3.974 -6.454 4.968) 9.062 3.374 ( -14.521 18.705 -1.743) 23.744 4.612 ( 2.114 -8.029 -5.649) 10.042 6.503 ( -6.199 10.066 20.300) 23.492 7.117 ( 3.667 -3.585 6.077) 7.951 7.795 ( 11.414 -14.976 16.473) 25.019 9.629 ( -1.870 9.458 -0.993) 9.692 9.714 ( -6.486 7.861 0.110) 10.192 10.459 ( 2.959 -6.613 -0.096) 7.245 11.107 ( 1.872 -6.948 0.684) 7.229 18.721 ( -28.101 31.358 10.377) 43.367 22.604 ( 28.130 -36.533 5.978) 46.494 26.562 ( -12.004 13.756 -10.512) 21.067 108.054 ( -1.753 1.176 0.200) 2.120 108.274 ( 2.293 -1.185 -0.365) 2.607 ======================= Grid point 600 (126/285) ======================= q-point: (-0.50 0.19 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 1.197 -5.169 3.788) 6.519 3.243 ( -19.141 14.095 -1.371) 23.810 4.512 ( -3.867 -8.521 -5.446) 10.827 6.545 ( -1.944 12.720 16.735) 21.110 7.186 ( 6.654 -1.882 6.453) 9.458 7.823 ( 8.071 -14.089 17.016) 23.520 9.657 ( -7.875 11.318 -0.139) 13.789 9.725 ( 4.573 0.018 1.385) 4.779 10.390 ( -2.807 -7.375 -0.866) 7.939 11.077 ( 1.339 -3.677 0.796) 3.993 18.467 ( -30.527 22.440 8.484) 38.825 22.778 ( 27.304 -27.100 6.568) 39.027 26.403 ( -18.666 8.555 -9.963) 22.822 108.025 ( -2.267 0.480 0.267) 2.332 108.323 ( 3.777 -0.241 -0.252) 3.793 ======================= Grid point 601 (127/285) ======================= q-point: (-0.44 0.19 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -3.483 -3.399 2.459) 5.452 2.982 ( -22.642 7.686 -0.652) 23.920 4.302 ( -11.193 -5.935 -5.013) 13.625 6.696 ( 1.825 16.451 12.382) 20.670 7.280 ( 6.970 -5.617 7.710) 11.815 7.789 ( 2.807 -10.409 15.103) 18.557 9.636 ( -6.486 9.322 1.037) 11.404 9.821 ( 8.036 -6.633 2.480) 10.710 10.233 ( -4.887 -4.896 -1.528) 7.084 11.082 ( 0.787 0.575 1.358) 1.672 18.123 ( -27.955 12.663 6.250) 31.320 22.998 ( 21.555 -15.216 6.440) 27.159 26.078 ( -24.434 3.209 -9.255) 26.324 107.988 ( -2.199 0.197 0.383) 2.241 108.399 ( 4.823 0.063 0.049) 4.824 ======================= Grid point 612 (128/285) ======================= q-point: ( 0.25 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -1.031 -0.563 3.992) 4.161 3.409 ( 10.267 17.396 -1.381) 20.246 4.404 ( 1.736 3.675 -5.188) 6.591 6.750 ( 2.240 -5.823 16.625) 17.757 7.183 ( -0.145 -1.948 6.892) 7.164 7.596 ( -8.861 -5.807 17.321) 20.304 9.683 ( -3.624 1.625 -0.400) 3.992 9.818 ( 5.498 5.553 0.863) 7.862 10.277 ( -0.198 3.087 -1.536) 3.453 11.061 ( 0.408 -3.810 1.339) 4.059 18.769 ( 20.408 27.029 8.197) 34.846 22.441 ( -17.489 -24.093 7.047) 30.594 26.482 ( 8.945 17.179 -10.600) 22.079 108.031 ( 1.347 2.071 0.299) 2.488 108.319 ( -2.159 -3.501 -0.232) 4.120 ======================= Grid point 613 (129/285) ======================= q-point: ( 0.31 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 0.427 -4.630 7.131) 8.513 3.689 ( -0.207 19.159 -2.008) 19.265 4.447 ( 3.940 -4.689 -4.924) 7.858 6.718 ( -3.035 3.272 19.964) 20.457 7.157 ( -3.278 -1.401 6.818) 7.693 7.420 ( 3.332 -14.476 16.703) 22.353 9.702 ( -1.298 8.517 -1.813) 8.804 9.940 ( -1.244 9.735 0.674) 9.837 10.286 ( 2.767 -4.774 -0.849) 5.583 11.023 ( 1.415 -6.492 0.666) 6.678 19.338 ( 3.571 37.983 9.542) 39.326 21.935 ( -1.284 -37.813 7.034) 38.483 26.741 ( 2.156 13.690 -11.420) 17.957 108.075 ( 0.827 2.390 0.189) 2.536 108.253 ( -1.236 -3.075 -0.297) 3.328 ======================= Grid point 614 (130/285) ======================= q-point: ( 0.38 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 3.211 -5.278 9.054) 10.961 3.786 ( -10.220 17.584 -2.234) 20.461 4.458 ( 5.220 -8.764 -4.712) 11.236 6.711 ( -5.739 9.144 22.367) 24.836 7.064 ( -1.633 -2.435 5.941) 6.625 7.423 ( 12.007 -14.992 15.648) 24.775 9.765 ( -3.470 9.923 -1.743) 10.655 9.953 ( -7.554 8.663 0.233) 11.497 10.301 ( 6.089 -7.525 -0.139) 9.681 10.989 ( 2.745 -6.631 0.024) 7.177 19.565 ( -24.468 38.358 9.762) 46.533 21.726 ( 24.823 -39.602 7.143) 47.281 26.834 ( -5.105 9.320 -11.638) 15.760 108.098 ( -1.246 2.000 0.110) 2.359 108.223 ( 1.360 -2.204 -0.268) 2.604 ======================= Grid point 616 (131/285) ======================= q-point: (-0.56 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 4.136 -3.104 7.491) 9.103 3.688 ( -16.575 9.881 -1.945) 19.394 4.451 ( 2.279 -6.058 -4.907) 8.122 6.694 ( -4.038 6.736 19.891) 21.386 7.097 ( 3.863 2.805 5.977) 7.650 7.498 ( 12.092 -12.764 17.399) 24.736 9.748 ( -5.094 1.883 -1.173) 5.557 9.897 ( -7.650 7.966 0.384) 11.051 10.318 ( 2.961 -6.200 -0.609) 6.897 10.998 ( 3.701 -2.531 0.276) 4.492 19.289 ( -36.694 19.633 8.944) 42.567 21.975 ( 34.792 -20.697 7.496) 41.170 26.748 ( -12.464 4.352 -11.314) 17.387 108.073 ( -2.544 0.617 0.164) 2.623 108.255 ( 3.335 -0.597 -0.274) 3.399 ======================= Grid point 630 (132/285) ======================= q-point: ( 0.31 0.31 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -1.502 -2.537 11.191) 11.573 4.022 ( 7.264 12.506 -2.746) 14.721 4.314 ( -4.486 -7.651 -3.975) 9.719 6.844 ( 3.945 8.070 24.023) 25.647 7.096 ( 4.657 -5.601 6.248) 9.596 7.171 ( -11.330 -7.238 13.773) 19.248 9.895 ( 3.538 8.661 -2.356) 9.648 10.074 ( 5.467 2.250 1.181) 6.029 10.170 ( -6.072 -5.062 -0.113) 7.906 10.915 ( -1.428 -3.096 -0.650) 3.471 20.128 ( 22.049 36.104 8.914) 43.233 21.154 ( -21.754 -35.753 8.109) 42.630 26.929 ( 2.565 4.567 -12.005) 13.098 108.126 ( 1.426 2.395 0.024) 2.788 108.193 ( -1.551 -2.613 -0.173) 3.043 ======================= Grid point 813 (133/285) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 285 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.000 0.000 12.397) 12.397 0.995 ( 0.000 -0.000 12.397) 12.397 1.804 ( 0.000 -0.000 22.510) 22.510 6.788 ( 0.000 0.000 -5.542) 5.542 6.788 ( 0.000 -0.000 -5.542) 5.542 7.878 ( 0.000 0.000 3.686) 3.686 7.878 ( 0.000 -0.000 3.686) 3.686 10.725 ( 0.000 0.000 0.914) 0.914 11.347 ( -0.000 0.000 -1.997) 1.997 12.743 ( 0.000 0.000 12.443) 12.443 12.743 ( 0.000 -0.000 12.443) 12.443 23.383 ( 0.000 0.000 -2.483) 2.483 23.383 ( 0.000 -0.000 -2.483) 2.483 107.859 ( -0.000 0.000 0.841) 0.841 109.428 ( 0.000 0.000 -0.408) 0.408 ======================= Grid point 814 (134/285) ======================= q-point: ( 0.06 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 4.435 2.560 10.896) 12.039 1.293 ( 19.103 11.029 10.959) 24.630 1.833 ( 4.246 2.452 18.879) 19.505 6.792 ( 7.154 4.130 -3.600) 9.011 6.922 ( 4.255 2.456 -5.953) 7.719 7.815 ( 0.354 0.205 4.501) 4.519 8.260 ( 24.074 13.899 0.238) 27.799 10.155 ( -41.794 -24.130 14.856) 50.494 11.007 ( -6.513 -3.760 -7.260) 10.454 12.713 ( -6.602 -3.812 12.088) 14.291 13.838 ( 64.117 37.018 -5.858) 74.267 23.399 ( 4.259 2.459 -2.465) 5.501 23.488 ( 5.923 3.420 -2.465) 7.270 107.862 ( 0.304 0.176 0.830) 0.901 109.326 ( -7.730 -4.463 1.644) 9.076 ======================= Grid point 815 (135/285) ======================= q-point: ( 0.12 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 8.973 5.181 7.051) 12.533 1.566 ( 2.956 1.707 16.777) 17.120 2.204 ( 26.535 15.320 4.915) 31.031 6.975 ( 0.335 0.193 -2.664) 2.692 7.088 ( 16.604 9.586 -0.951) 19.196 7.904 ( 6.921 3.996 2.672) 8.427 8.871 ( 23.925 13.813 1.473) 27.665 9.247 ( -31.254 -18.044 11.880) 37.994 10.922 ( -2.118 -1.223 -7.788) 8.162 12.431 ( -16.915 -9.766 11.934) 22.890 15.240 ( 51.627 29.807 -13.025) 61.020 23.578 ( 10.542 6.086 -3.000) 12.537 23.656 ( 7.945 4.587 -2.085) 9.408 107.874 ( 0.686 0.396 0.781) 1.113 109.110 ( -9.693 -5.596 3.595) 11.756 ======================= Grid point 816 (136/285) ======================= q-point: ( 0.19 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 11.633 6.716 2.998) 13.763 1.597 ( 1.341 0.774 12.863) 12.956 2.889 ( 29.059 16.777 -0.002) 33.555 6.956 ( -1.630 -0.941 2.198) 2.894 7.525 ( 19.269 11.125 2.662) 22.408 8.116 ( 10.346 5.973 0.046) 11.947 8.566 ( -22.590 -13.042 11.844) 28.648 9.443 ( 19.700 11.374 -0.433) 22.751 10.902 ( 0.750 0.433 -6.848) 6.902 11.932 ( -24.543 -14.170 11.977) 30.767 16.277 ( 36.658 21.165 -7.840) 43.049 23.849 ( 8.094 4.673 -0.918) 9.391 23.879 ( 14.359 8.290 -4.108) 17.082 107.895 ( 1.055 0.609 0.703) 1.407 108.887 ( -8.901 -5.139 3.211) 10.768 ======================= Grid point 817 (137/285) ======================= q-point: ( 0.25 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 4.011 2.316 6.643) 8.098 1.736 ( 12.236 7.064 -0.060) 14.129 3.534 ( 24.786 14.310 -2.595) 28.738 6.908 ( -2.323 -1.341 6.775) 7.287 7.954 ( 14.719 8.498 5.613) 17.899 8.132 ( -12.940 -7.471 9.902) 17.925 8.371 ( 10.762 6.213 -1.776) 12.553 9.830 ( 13.290 7.673 0.809) 15.367 10.966 ( 4.522 2.611 -4.900) 7.161 11.303 ( -27.627 -15.950 11.941) 34.062 17.013 ( 25.859 14.930 -0.219) 29.860 24.034 ( 7.420 4.284 0.876) 8.613 24.236 ( 15.249 8.804 -5.659) 18.495 107.923 ( 1.296 0.748 0.619) 1.619 108.692 ( -7.516 -4.339 1.917) 8.887 ======================= Grid point 818 (138/285) ======================= q-point: ( 0.31 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 6.353 3.668 1.625) 7.513 2.015 ( 11.039 6.373 -1.897) 12.887 4.049 ( 18.462 10.659 -4.650) 21.819 6.843 ( -3.280 -1.894 11.125) 11.752 7.831 ( -9.091 -5.249 7.789) 13.071 8.302 ( 10.643 6.144 9.559) 15.569 8.613 ( 9.410 5.433 -2.949) 11.259 10.106 ( 10.628 6.136 0.477) 12.281 10.666 ( -25.193 -14.545 11.370) 31.234 11.098 ( 6.124 3.536 -2.427) 7.476 17.516 ( 16.620 9.595 6.202) 20.168 24.203 ( 6.977 4.028 2.601) 8.466 24.583 ( 13.647 7.879 -7.389) 17.405 107.954 ( 1.337 0.772 0.534) 1.634 108.533 ( -5.916 -3.416 0.714) 6.868 ======================= Grid point 819 (139/285) ======================= q-point: ( 0.38 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 7.064 4.079 -1.049) 8.224 2.247 ( 8.312 4.799 -2.693) 9.968 4.408 ( 11.963 6.907 -6.332) 15.196 6.748 ( -4.720 -2.725 15.347) 16.286 7.665 ( -5.082 -2.934 7.918) 9.856 8.481 ( 4.745 2.740 10.549) 11.887 8.809 ( 6.957 4.016 -3.743) 8.862 10.151 ( -17.495 -10.101 10.012) 22.547 10.349 ( 9.808 5.662 0.412) 11.332 11.234 ( 4.993 2.883 -0.593) 5.796 17.802 ( 7.561 4.365 10.970) 14.021 24.368 ( 6.873 3.968 3.722) 8.766 24.869 ( 10.300 5.947 -8.971) 14.897 107.984 ( 1.127 0.650 0.449) 1.376 108.413 ( -4.117 -2.377 -0.100) 4.755 ======================= Grid point 820 (140/285) ======================= q-point: ( 0.44 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 5.773 3.333 -1.827) 6.912 2.399 ( 4.338 2.505 -2.753) 5.716 4.622 ( 6.221 3.592 -7.526) 10.404 6.624 ( -5.529 -3.192 18.719) 19.777 7.580 ( -2.245 -1.296 8.143) 8.546 8.549 ( 1.515 0.875 10.669) 10.812 8.938 ( 3.889 2.245 -4.216) 6.160 9.861 ( -6.743 -3.893 8.382) 11.440 10.553 ( 6.893 3.980 0.720) 7.992 11.323 ( 2.308 1.332 0.374) 2.691 17.882 ( -0.482 -0.278 14.192) 14.203 24.525 ( 6.197 3.578 4.099) 8.247 25.063 ( 5.918 3.417 -10.096) 12.192 108.005 ( 0.585 0.338 0.380) 0.775 108.339 ( -2.063 -1.191 -0.532) 2.441 ======================= Grid point 821 (141/285) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 2.667 1.540 -1.624) 3.482 2.447 ( -0.409 -0.236 -2.378) 2.425 4.706 ( 0.786 0.454 -8.049) 8.100 6.500 ( -4.663 -2.692 20.011) 20.723 7.555 ( 0.042 0.024 8.247) 8.248 8.574 ( 0.939 0.542 10.692) 10.746 8.994 ( 0.932 0.538 -4.304) 4.436 9.827 ( 3.549 2.049 7.522) 8.566 10.655 ( 1.360 0.785 0.665) 1.706 11.338 ( -1.149 -0.663 0.750) 1.524 17.800 ( -5.848 -3.377 15.801) 17.183 24.647 ( 3.713 2.144 3.884) 5.785 25.147 ( 1.094 0.632 -10.549) 10.624 108.010 ( -0.229 -0.132 0.359) 0.446 108.317 ( 0.206 0.119 -0.667) 0.709 ======================= Grid point 823 (142/285) ======================= q-point: (-0.44 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -1.414 -0.816 -0.891) 1.860 2.380 ( -5.149 -2.973 -1.793) 6.211 4.654 ( -5.371 -3.101 -7.734) 9.913 6.412 ( -2.702 -1.560 18.840) 19.097 7.584 ( 2.485 1.435 8.052) 8.548 8.602 ( 1.415 0.817 10.927) 11.048 8.985 ( -1.686 -0.974 -4.028) 4.474 10.009 ( 11.417 6.592 7.918) 15.378 10.606 ( -5.680 -3.280 -0.105) 6.560 11.271 ( -4.273 -2.467 0.756) 4.992 17.631 ( -7.935 -4.582 15.537) 18.038 24.683 ( -1.050 -0.606 3.276) 3.493 25.116 ( -3.672 -2.120 -10.257) 11.099 107.996 ( -0.878 -0.507 0.401) 1.090 108.348 ( 2.321 1.340 -0.548) 2.735 ======================= Grid point 824 (143/285) ======================= q-point: (-0.38 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -5.093 -2.941 0.587) 5.910 2.210 ( -8.957 -5.172 -1.085) 10.400 4.444 ( -12.441 -7.183 -6.546) 15.787 6.370 ( -0.874 -0.504 15.903) 15.935 7.674 ( 5.075 2.930 7.619) 9.612 8.634 ( 0.892 0.515 11.019) 11.067 8.916 ( -4.067 -2.348 -3.454) 5.829 10.347 ( 16.641 9.608 9.168) 21.291 10.387 ( -12.484 -7.208 -1.129) 14.459 11.148 ( -5.751 -3.320 0.087) 6.641 17.439 ( -8.133 -4.695 13.089) 16.109 24.585 ( -7.266 -4.195 2.408) 8.729 24.976 ( -7.944 -4.586 -9.311) 13.070 107.971 ( -1.161 -0.670 0.488) 1.427 108.425 ( 4.137 2.389 -0.132) 4.779 ======================= Grid point 825 (144/285) ======================= q-point: (-0.31 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( -11.140 -6.432 -0.121) 12.864 1.994 ( -7.037 -4.063 3.401) 8.808 4.063 ( -19.542 -11.283 -4.711) 23.052 6.365 ( 0.363 0.209 12.120) 12.128 7.821 ( 7.231 4.175 7.451) 11.191 8.619 ( -2.833 -1.636 9.814) 10.345 8.795 ( -6.035 -3.484 -2.675) 7.465 10.039 ( -16.047 -9.265 -1.110) 18.563 10.780 ( 19.479 11.246 10.635) 24.880 11.014 ( -5.277 -3.047 -1.910) 6.385 17.237 ( -9.426 -5.442 8.186) 13.619 24.342 ( -12.942 -7.472 1.416) 15.011 24.746 ( -11.350 -6.553 -7.930) 15.318 107.943 ( -1.209 -0.698 0.582) 1.512 108.543 ( 5.798 3.347 0.674) 6.729 ======================= Grid point 826 (145/285) ======================= q-point: (-0.25 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -11.485 -6.631 1.439) 13.340 1.828 ( -6.648 -3.838 7.961) 11.059 3.526 ( -25.498 -14.721 -2.528) 29.551 6.386 ( 1.342 0.775 8.091) 8.238 7.993 ( 5.693 3.287 7.466) 9.948 8.482 ( -7.758 -4.479 6.704) 11.189 8.633 ( -7.528 -4.346 -1.783) 8.873 9.670 ( -14.221 -8.210 0.659) 16.434 10.912 ( -3.042 -1.756 -4.853) 5.991 11.257 ( 20.495 11.833 11.874) 26.477 16.954 ( -15.599 -9.006 0.701) 18.025 23.997 ( -15.403 -8.893 0.553) 17.795 24.448 ( -13.555 -7.826 -6.396) 16.909 107.915 ( -1.114 -0.643 0.660) 1.446 108.699 ( 7.358 4.248 1.881) 8.703 ======================= Grid point 827 (146/285) ======================= q-point: (-0.19 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -10.260 -5.924 3.938) 12.485 1.692 ( -4.734 -2.733 13.576) 14.635 2.873 ( -28.996 -16.741 0.113) 33.482 6.431 ( 2.593 1.497 4.109) 5.084 7.892 ( -15.458 -8.925 0.966) 17.876 8.437 ( 4.514 2.606 9.887) 11.177 8.442 ( -8.492 -4.903 -0.793) 9.838 9.401 ( -6.949 -4.012 2.181) 8.315 10.877 ( 0.105 0.061 -7.192) 7.193 11.740 ( 19.965 11.527 12.661) 26.301 16.431 ( -30.090 -17.373 -8.477) 35.765 23.653 ( -12.685 -7.324 0.022) 14.647 24.115 ( -14.188 -8.191 -4.964) 17.118 107.891 ( -0.905 -0.523 0.727) 1.273 108.891 ( 8.775 5.066 3.189) 10.622 ======================= Grid point 828 (147/285) ======================= q-point: (-0.12 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -7.980 -4.608 7.326) 11.772 1.582 ( -6.105 -3.524 16.793) 18.213 2.201 ( -25.513 -14.730 5.350) 29.942 6.512 ( 4.295 2.479 0.349) 4.971 7.447 ( -19.317 -11.153 -3.506) 22.580 8.236 ( -8.731 -5.041 0.392) 10.090 8.406 ( -10.681 -6.167 6.047) 13.736 9.509 ( 18.775 10.840 9.267) 23.577 10.911 ( 2.549 1.471 -8.166) 8.680 12.188 ( 17.475 10.089 12.945) 23.974 15.462 ( -52.422 -30.266 -14.466) 62.236 23.426 ( -6.206 -3.583 -0.576) 7.189 23.791 ( -12.789 -7.384 -3.793) 15.247 107.873 ( -0.609 -0.352 0.789) 1.057 109.111 ( 9.628 5.559 3.586) 11.681 ======================= Grid point 829 (148/285) ======================= q-point: (-0.06 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -4.890 -2.824 10.726) 12.122 1.269 ( -18.772 -10.838 11.142) 24.372 1.839 ( -4.846 -2.798 18.914) 19.725 6.635 ( 6.003 3.466 -3.003) 7.554 7.043 ( -14.163 -8.177 -5.718) 17.325 8.037 ( -7.862 -4.539 1.919) 9.279 8.039 ( -15.713 -9.072 2.722) 18.347 10.214 ( 36.401 21.016 13.926) 44.279 11.007 ( 7.114 4.107 -7.343) 11.018 12.547 ( 12.225 7.058 12.810) 19.061 13.980 ( -69.097 -39.893 -6.488) 80.050 23.352 ( -0.488 -0.282 -1.718) 1.808 23.528 ( -8.974 -5.181 -2.952) 10.775 107.862 ( -0.286 -0.165 0.831) 0.894 109.326 ( 7.714 4.453 1.643) 9.057 ======================= Grid point 831 (149/285) ======================= q-point: ( 0.06 0.06 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 4.957 10.745 8.210) 14.403 1.528 ( 4.835 7.858 15.637) 18.156 2.036 ( 11.356 19.962 8.433) 24.465 6.716 ( 15.183 -5.576 -1.891) 16.285 7.177 ( -4.650 16.594 -2.807) 17.461 7.990 ( -4.673 13.221 2.698) 14.280 8.571 ( 24.362 14.687 0.913) 28.461 9.557 ( -24.620 -26.717 12.960) 38.573 10.932 ( -1.422 -3.169 -8.064) 8.780 12.409 ( -0.330 -20.280 12.486) 23.818 15.009 ( 25.542 62.007 -13.537) 68.415 23.421 ( 5.705 1.782 -1.107) 6.079 23.691 ( 4.427 14.227 -3.581) 15.324 107.869 ( 0.347 0.536 0.801) 1.024 109.172 ( -5.553 -9.560 3.326) 11.545 ======================= Grid point 832 (150/285) ======================= q-point: ( 0.12 0.06 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 6.195 16.183 4.794) 17.979 1.597 ( 0.320 1.927 14.938) 15.065 2.597 ( 23.575 21.892 1.094) 32.190 6.962 ( 11.638 -1.264 -1.224) 11.771 7.268 ( 4.240 8.930 3.917) 10.633 8.101 ( 1.530 9.335 2.196) 9.711 8.885 ( -16.978 -6.044 11.305) 21.274 9.196 ( 17.079 10.598 -1.601) 20.164 10.890 ( -0.300 -1.733 -7.445) 7.650 12.075 ( -12.153 -22.233 12.352) 28.188 16.010 ( 27.062 39.859 -10.819) 49.378 23.562 ( 9.469 -1.822 -0.165) 9.644 23.975 ( 7.109 20.387 -4.692) 22.095 107.886 ( 0.735 0.765 0.737) 1.291 108.964 ( -7.056 -8.069 3.530) 11.285 ======================= Grid point 833 (151/285) ======================= q-point: ( 0.19 0.06 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 1.783 2.944 9.251) 9.870 1.727 ( 5.784 19.093 1.755) 20.027 3.240 ( 24.944 16.987 -1.876) 30.237 7.022 ( -5.315 6.687 3.651) 9.289 7.570 ( 23.056 -3.929 6.477) 24.269 8.099 ( -3.948 -8.764 5.931) 11.295 8.670 ( -11.139 21.418 2.567) 24.277 9.628 ( 17.504 6.423 0.702) 18.658 10.889 ( 2.274 -2.775 -5.828) 6.844 11.561 ( -19.758 -19.458 12.134) 30.269 16.793 ( 22.743 27.061 -3.592) 35.531 23.705 ( 12.185 -8.299 0.960) 14.774 24.342 ( 6.847 25.720 -5.646) 27.208 107.911 ( 1.053 0.957 0.658) 1.568 108.766 ( -6.767 -6.440 2.451) 9.658 ======================= Grid point 834 (152/285) ======================= q-point: ( 0.25 0.06 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 4.442 4.061 3.774) 7.104 2.021 ( 4.549 19.674 -0.636) 20.203 3.804 ( 21.351 11.868 -3.919) 24.740 6.970 ( -7.906 6.699 8.644) 13.495 7.804 ( 5.029 -17.190 8.223) 19.708 8.016 ( 11.407 0.820 6.556) 13.182 8.793 ( -4.932 23.912 0.199) 24.416 9.946 ( 13.060 3.667 0.749) 13.585 10.772 ( -9.278 -21.141 4.097) 23.448 11.156 ( -7.161 2.215 3.931) 8.464 17.384 ( 16.184 20.704 3.220) 26.475 23.824 ( 14.862 -15.212 2.052) 21.366 24.726 ( 4.447 28.551 -6.578) 29.634 107.942 ( 1.198 1.082 0.576) 1.714 108.595 ( -5.798 -5.012 1.181) 7.754 ======================= Grid point 835 (153/285) ======================= q-point: ( 0.31 0.06 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 6.348 4.117 0.199) 7.569 2.281 ( 2.269 18.655 -1.965) 18.895 4.232 ( 15.691 7.198 -5.582) 18.143 6.881 ( -8.805 4.884 13.229) 16.625 7.655 ( -1.495 -10.835 7.492) 13.257 8.273 ( 14.486 -3.021 8.970) 17.304 8.932 ( -4.253 18.481 -0.748) 18.979 10.147 ( 4.114 -7.695 3.105) 9.262 10.345 ( -7.463 -8.492 5.897) 12.751 11.202 ( 2.920 4.595 0.143) 5.446 17.789 ( 7.295 17.174 8.512) 20.509 23.927 ( 18.091 -21.479 2.741) 28.216 25.071 ( 0.590 29.251 -7.536) 30.212 107.974 ( 1.099 1.123 0.489) 1.646 108.459 ( -4.422 -3.717 0.216) 5.781 ======================= Grid point 836 (154/285) ======================= q-point: ( 0.38 0.06 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 6.601 2.903 -1.182) 7.307 2.475 ( -1.085 16.628 -2.431) 16.840 4.512 ( 9.929 3.171 -6.874) 12.486 6.760 ( -9.331 3.314 17.329) 19.958 7.548 ( 0.114 -7.809 7.489) 10.820 8.442 ( 8.597 -3.957 10.960) 14.481 9.024 ( -3.697 13.489 -2.426) 14.195 9.884 ( -6.352 -13.460 7.210) 16.538 10.459 ( 8.199 3.911 0.711) 9.111 11.292 ( 2.954 1.851 0.631) 3.543 17.993 ( -2.666 14.563 12.327) 19.265 24.030 ( 21.196 -26.427 2.811) 33.994 25.337 ( -4.232 28.426 -8.314) 29.917 108.001 ( 0.680 1.038 0.405) 1.305 108.363 ( -2.683 -2.488 -0.358) 3.676 ======================= Grid point 837 (155/285) ======================= q-point: ( 0.44 0.06 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 4.952 0.649 -1.190) 5.134 2.577 ( -5.378 14.117 -2.336) 15.286 4.656 ( 4.724 -0.331 -7.649) 8.996 6.628 ( -8.922 3.248 19.804) 21.962 7.496 ( 2.205 -6.335 7.604) 10.140 8.514 ( 4.573 -3.767 11.978) 13.363 9.081 ( -3.790 10.535 -3.525) 11.738 9.747 ( 2.177 -6.024 6.095) 8.842 10.606 ( 4.960 0.661 0.677) 5.049 11.332 ( 0.851 -0.969 1.021) 1.645 18.004 ( -11.063 12.389 14.663) 22.156 24.132 ( 22.434 -29.737 2.406) 37.327 25.496 ( -9.579 26.341 -8.705) 29.349 108.016 ( -0.121 0.735 0.354) 0.825 108.315 ( -0.550 -1.224 -0.611) 1.474 ======================= Grid point 838 (156/285) ======================= q-point: (-0.50 0.06 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 1.696 -2.108 -0.632) 2.778 2.571 ( -10.145 11.651 -1.973) 15.575 4.672 ( -0.742 -3.715 -7.764) 8.639 6.521 ( -7.343 4.508 19.751) 21.549 7.498 ( 4.633 -4.820 7.601) 10.123 8.541 ( 3.061 -4.048 11.904) 12.941 9.105 ( -5.231 9.904 -3.403) 11.706 9.826 ( 10.728 -1.607 6.190) 12.490 10.632 ( -0.904 -3.212 0.184) 3.342 11.300 ( -1.964 -3.151 1.218) 3.908 17.878 ( -15.792 10.753 15.309) 24.482 24.204 ( 20.443 -31.349 1.878) 37.472 25.532 ( -15.046 22.982 -8.665) 28.803 108.011 ( -0.977 0.276 0.364) 1.079 108.319 ( 1.695 0.042 -0.618) 1.804 ======================= Grid point 839 (157/285) ======================= q-point: (-0.44 0.06 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -2.180 -4.552 0.318) 5.057 2.459 ( -14.576 9.601 -1.460) 17.515 4.546 ( -7.360 -7.297 -7.104) 12.565 6.463 ( -5.463 6.460 17.494) 19.432 7.564 ( 7.114 -2.759 7.328) 10.579 8.535 ( 2.337 -7.160 10.945) 13.286 9.102 ( -7.264 11.364 -2.095) 13.649 10.077 ( 17.660 0.077 7.341) 19.125 10.501 ( -7.908 -6.737 -0.913) 10.429 11.208 ( -4.147 -3.449 1.269) 5.541 17.686 ( -16.901 9.307 13.991) 23.833 24.203 ( 15.309 -31.067 1.537) 34.668 25.431 ( -20.170 18.363 -8.345) 28.525 107.990 ( -1.421 -0.068 0.434) 1.487 108.373 ( 3.649 1.075 -0.381) 3.823 ======================= Grid point 840 (158/285) ======================= q-point: (-0.38 0.06 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -5.343 -5.764 2.006) 8.112 2.259 ( -17.665 7.963 -0.593) 19.386 4.256 ( -14.746 -10.749 -5.722) 19.124 6.455 ( -4.381 8.800 13.965) 17.078 7.693 ( 9.290 -0.680 6.961) 11.628 8.460 ( 0.827 -13.708 8.979) 16.407 9.086 ( -9.519 14.477 -0.036) 17.326 10.196 ( -12.209 -10.871 -0.546) 16.357 10.458 ( 20.510 0.833 6.996) 21.686 11.101 ( -4.735 -0.707 1.148) 4.923 17.473 ( -16.611 6.967 10.474) 20.837 24.107 ( 8.242 -28.417 1.489) 29.625 25.195 ( -24.182 12.827 -7.936) 28.501 107.962 ( -1.518 -0.234 0.530) 1.624 108.469 ( 5.417 1.832 0.182) 5.721 ======================= Grid point 841 (159/285) ======================= q-point: (-0.31 0.06 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -7.297 -4.776 4.588) 9.854 2.008 ( -18.138 5.995 1.358) 19.152 3.806 ( -21.807 -13.073 -3.916) 25.725 6.483 ( -4.242 11.226 9.957) 15.593 7.875 ( 10.690 1.179 7.090) 12.882 8.274 ( -1.447 -21.162 6.579) 22.208 9.043 ( -14.137 16.769 0.673) 21.943 9.820 ( -14.708 -12.193 -0.280) 19.107 10.807 ( 14.718 -4.693 1.276) 15.500 11.096 ( 5.457 7.846 6.697) 11.670 17.218 ( -18.485 2.439 4.613) 19.208 23.922 ( 0.934 -22.768 1.552) 22.840 24.847 ( -25.879 7.011 -7.410) 27.817 107.933 ( -1.441 -0.276 0.616) 1.591 108.602 ( 7.153 2.325 1.148) 7.609 ======================= Grid point 842 (160/285) ======================= q-point: (-0.25 0.06 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -13.166 1.685 4.767) 14.104 1.768 ( -10.563 -0.473 7.993) 13.254 3.228 ( -27.576 -12.972 -1.822) 30.530 6.534 ( -4.260 13.521 5.873) 15.345 7.944 ( -7.733 -17.055 4.374) 19.230 8.116 ( 13.018 -6.977 7.122) 16.397 8.908 ( -19.167 15.771 0.081) 24.821 9.472 ( -10.175 -10.944 1.781) 15.049 10.864 ( 1.206 -2.007 -6.081) 6.516 11.472 ( 21.426 8.695 12.486) 26.278 16.819 ( -26.619 -4.767 -3.356) 27.250 23.695 ( -4.414 -13.925 1.342) 14.669 24.439 ( -24.402 1.675 -6.500) 25.308 107.906 ( -1.255 -0.228 0.684) 1.447 108.770 ( 8.875 2.466 2.428) 9.526 ======================= Grid point 843 (161/285) ======================= q-point: (-0.19 0.06 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -15.951 2.954 5.196) 17.034 1.634 ( -3.713 -2.755 15.189) 15.877 2.588 ( -30.575 -8.759 1.169) 31.826 6.611 ( -3.744 15.463 1.836) 16.015 7.560 ( -11.505 -19.762 0.643) 22.876 8.204 ( -0.652 -6.677 4.235) 7.933 8.767 ( -13.941 15.242 4.552) 21.152 9.274 ( 3.240 -8.884 3.376) 10.041 10.880 ( 1.854 0.324 -7.672) 7.900 11.954 ( 21.600 9.302 12.825) 26.787 16.117 ( -43.857 -12.061 -11.407) 46.894 23.508 ( -5.835 -3.663 0.502) 6.907 24.034 ( -20.291 -2.155 -5.121) 21.038 107.884 ( -0.977 -0.113 0.746) 1.235 108.966 ( 10.472 1.956 3.520) 11.219 ======================= Grid point 848 (162/285) ======================= q-point: ( 0.12 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 0.322 4.496 10.220) 11.170 1.805 ( 10.103 18.177 3.613) 21.108 3.078 ( 14.627 24.462 -1.869) 28.563 6.901 ( 20.403 -4.190 2.848) 21.022 7.514 ( -11.842 14.255 6.673) 19.697 8.093 ( -4.565 -7.976 6.498) 11.255 9.036 ( -2.432 17.968 0.901) 18.154 9.377 ( 14.072 6.482 1.562) 15.572 10.847 ( -0.969 -2.892 -6.459) 7.143 11.599 ( -9.574 -22.556 12.711) 27.604 16.751 ( 16.384 31.173 -5.135) 35.589 23.544 ( 0.325 0.171 2.179) 2.210 24.438 ( 11.269 24.002 -6.784) 27.370 107.905 ( 0.776 1.103 0.683) 1.511 108.795 ( -4.851 -8.197 2.633) 9.882 ======================= Grid point 849 (163/285) ======================= q-point: ( 0.19 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 1.630 5.140 5.623) 7.790 2.169 ( 6.495 22.517 1.146) 23.463 3.582 ( 17.706 16.339 -3.855) 24.399 7.157 ( 5.512 3.379 3.607) 7.403 7.474 ( 1.657 -2.749 11.906) 12.332 7.955 ( -1.287 -3.828 6.600) 7.738 9.162 ( -7.419 24.006 0.339) 25.129 9.712 ( 16.579 2.158 1.030) 16.751 10.712 ( -6.859 -15.380 -1.109) 16.876 11.259 ( -6.607 -8.077 8.578) 13.508 17.337 ( 16.633 25.403 1.038) 30.381 23.526 ( 2.920 -8.991 3.616) 10.121 24.892 ( 9.545 27.107 -7.892) 29.803 107.934 ( 1.051 1.278 0.610) 1.764 108.632 ( -4.897 -6.443 1.457) 8.223 ======================= Grid point 850 (164/285) ======================= q-point: ( 0.25 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 3.841 4.830 1.884) 6.452 2.486 ( 1.956 24.260 -0.577) 24.346 4.021 ( 16.371 9.241 -5.165) 19.495 7.144 ( -11.514 8.984 9.948) 17.670 7.478 ( 6.981 -14.236 8.619) 18.047 8.024 ( 9.588 0.178 9.674) 13.622 9.251 ( -8.109 20.072 0.584) 21.656 9.972 ( 9.833 -2.220 1.381) 10.174 10.348 ( -8.553 -16.543 3.660) 18.980 11.202 ( 1.089 0.989 2.905) 3.256 17.849 ( 11.519 24.333 5.984) 27.579 23.472 ( 7.403 -18.809 4.521) 20.713 25.314 ( 5.736 27.884 -8.747) 29.781 107.967 ( 1.121 1.424 0.525) 1.886 108.492 ( -4.226 -4.914 0.471) 6.499 ======================= Grid point 851 (165/285) ======================= q-point: ( 0.31 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 5.232 3.163 0.221) 6.118 2.730 ( -2.423 23.834 -1.567) 24.008 4.344 ( 12.411 3.648 -6.138) 14.318 7.002 ( -11.836 5.625 15.342) 20.177 7.436 ( 2.306 -9.184 6.734) 11.619 8.205 ( 11.516 -4.335 13.220) 18.060 9.291 ( -7.957 15.955 -0.368) 17.832 9.849 ( -6.201 -13.522 4.102) 15.431 10.335 ( 8.808 1.304 0.357) 8.911 11.249 ( 2.964 -0.353 1.741) 3.456 18.224 ( 1.511 25.139 9.774) 27.014 23.419 ( 13.814 -27.598 4.710) 31.219 25.657 ( 0.898 26.860 -9.484) 28.499 108.001 ( 0.893 1.523 0.430) 1.817 108.383 ( -3.040 -3.609 -0.162) 4.722 ======================= Grid point 852 (166/285) ======================= q-point: ( 0.38 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 5.180 0.552 0.232) 5.214 2.884 ( -6.866 22.044 -1.872) 23.164 4.538 ( 7.776 -0.674 -6.810) 10.358 6.856 ( -10.684 5.382 18.914) 22.380 7.382 ( 1.546 -7.423 6.558) 10.025 8.326 ( 9.338 -7.783 15.583) 19.764 9.310 ( -6.629 13.688 -1.757) 15.310 9.675 ( -1.990 -5.210 2.397) 6.071 10.494 ( 7.548 -0.650 0.372) 7.585 11.282 ( 2.492 -3.170 1.517) 4.308 18.405 ( -10.445 25.475 12.464) 30.223 23.409 ( 20.435 -33.442 4.324) 39.429 25.889 ( -4.574 24.413 -10.010) 26.779 108.027 ( 0.220 1.472 0.347) 1.529 108.312 ( -1.313 -2.440 -0.478) 2.812 ======================= Grid point 853 (167/285) ======================= q-point: ( 0.44 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 3.465 -2.218 0.821) 4.195 2.936 ( -11.479 19.651 -1.771) 22.827 4.609 ( 3.070 -4.157 -7.114) 8.792 6.739 ( -9.565 7.114 20.106) 23.374 7.354 ( 3.854 -6.699 6.589) 10.156 8.390 ( 7.325 -8.429 16.069) 19.568 9.339 ( -6.228 13.951 -2.281) 15.447 9.661 ( 4.008 -1.524 2.033) 4.745 10.571 ( 3.487 -3.983 0.157) 5.296 11.268 ( 0.830 -5.385 1.549) 5.665 18.384 ( -19.919 24.082 13.781) 34.156 23.455 ( 24.080 -35.213 3.825) 42.830 25.989 ( -10.443 20.760 -10.212) 25.383 108.035 ( -0.867 1.076 0.319) 1.418 108.289 ( 0.921 -1.205 -0.572) 1.621 ======================= Grid point 855 (168/285) ======================= q-point: (-0.50 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 0.361 -4.371 1.246) 4.560 2.879 ( -16.016 17.088 -1.468) 23.466 4.558 ( -2.508 -7.228 -6.986) 10.360 6.669 ( -7.662 9.441 18.668) 22.278 7.390 ( 6.989 -4.967 6.597) 10.819 8.407 ( 4.092 -8.768 15.063) 17.903 9.366 ( -7.238 14.415 -1.646) 16.213 9.786 ( 11.915 -1.915 3.453) 12.552 10.525 ( -2.602 -6.942 -0.755) 7.452 11.209 ( -0.830 -5.424 1.899) 5.807 18.215 ( -24.397 20.955 13.407) 34.843 23.526 ( 22.978 -33.185 3.594) 40.523 25.940 ( -16.428 16.128 -10.077) 25.131 108.020 ( -1.644 0.530 0.363) 1.765 108.319 ( 2.997 -0.068 -0.491) 3.037 ======================= Grid point 856 (169/285) ======================= q-point: (-0.44 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -3.059 -5.441 1.744) 6.481 2.721 ( -19.846 14.341 -0.899) 24.501 4.366 ( -9.379 -9.665 -6.321) 14.877 6.664 ( -5.655 12.657 15.532) 20.819 7.496 ( 9.513 -3.427 6.352) 11.941 8.339 ( -0.488 -11.206 13.029) 17.192 9.385 ( -7.323 14.853 -0.098) 16.561 10.025 ( 17.081 -4.881 5.420) 18.573 10.340 ( -7.818 -8.469 -2.105) 11.716 11.144 ( -1.552 -2.356 2.560) 3.810 17.966 ( -24.852 16.327 11.207) 31.777 23.578 ( 17.964 -28.096 3.662) 33.548 25.736 ( -22.019 10.922 -9.685) 26.418 107.992 ( -1.847 0.188 0.457) 1.912 108.391 ( 4.709 0.651 -0.185) 4.757 ======================= Grid point 857 (170/285) ======================= q-point: (-0.38 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -5.327 -5.271 3.155) 8.131 2.475 ( -22.170 10.977 0.153) 24.739 4.030 ( -16.692 -10.161 -5.231) 20.229 6.721 ( -5.151 16.460 11.584) 20.776 7.649 ( 11.670 -4.119 6.187) 13.836 8.159 ( -4.772 -14.011 10.668) 18.245 9.409 ( -8.036 15.840 1.150) 17.799 9.942 ( -13.119 -13.808 -0.298) 19.049 10.417 ( 20.625 -3.632 3.060) 21.164 11.120 ( -0.338 2.154 4.057) 4.606 17.667 ( -24.417 10.238 7.192) 27.436 23.586 ( 11.098 -20.383 3.759) 23.511 25.388 ( -26.316 5.734 -9.094) 28.427 107.960 ( -1.779 0.044 0.552) 1.863 108.498 ( 6.351 0.939 0.449) 6.436 ======================= Grid point 858 (171/285) ======================= q-point: (-0.31 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -5.521 -3.986 6.119) 9.155 2.164 ( -22.538 6.132 1.720) 23.421 3.580 ( -23.369 -7.036 -3.855) 24.708 6.809 ( -5.997 19.581 7.333) 21.752 7.762 ( 6.216 -17.786 7.582) 20.309 7.957 ( -0.208 -2.944 7.461) 8.023 9.384 ( -16.243 14.013 -0.795) 21.467 9.539 ( -11.294 -13.491 1.736) 17.680 10.722 ( 14.261 -2.715 -1.944) 14.647 11.227 ( 10.830 4.383 9.442) 15.022 17.288 ( -26.875 3.352 1.523) 27.126 23.563 ( 4.482 -10.505 3.428) 11.924 24.935 ( -28.101 1.186 -8.207) 29.299 107.930 ( -1.597 0.036 0.625) 1.716 108.635 ( 7.996 0.756 1.444) 8.161 ======================= Grid point 866 (172/285) ======================= q-point: ( 0.19 0.19 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 0.516 6.118 3.111) 6.883 2.611 ( 11.816 19.929 0.457) 23.173 3.907 ( 8.544 15.120 -5.224) 18.136 7.096 ( 17.632 -6.943 8.383) 20.721 7.478 ( -14.647 -0.039 8.878) 17.128 7.968 ( -0.624 5.182 10.788) 11.984 9.587 ( -6.026 13.851 2.008) 15.238 9.753 ( 13.005 4.802 -0.371) 13.869 10.353 ( -11.652 -16.477 1.752) 20.257 11.171 ( 1.352 -2.400 4.729) 5.472 17.831 ( 18.452 22.712 5.237) 29.728 23.334 ( -9.162 -9.774 5.224) 14.379 25.427 ( 11.897 24.422 -9.508) 28.781 107.963 ( 1.097 1.541 0.550) 1.970 108.506 ( -3.487 -5.729 0.561) 6.730 ======================= Grid point 867 (173/285) ======================= q-point: ( 0.25 0.19 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 2.107 4.107 1.675) 4.911 2.974 ( 4.243 22.463 -0.713) 22.871 4.184 ( 9.729 6.626 -5.822) 13.132 7.201 ( -1.833 -8.778 12.808) 15.635 7.313 ( -0.488 2.797 6.522) 7.114 8.026 ( 3.473 0.011 16.102) 16.473 9.597 ( -8.779 12.621 1.246) 15.425 9.826 ( -2.656 -8.250 2.370) 8.985 10.195 ( 5.853 -0.345 -1.379) 6.023 11.182 ( 2.325 -2.907 2.893) 4.715 18.378 ( 13.286 27.088 8.003) 31.214 23.055 ( -3.371 -21.754 6.298) 22.897 25.844 ( 7.134 23.218 -10.550) 26.482 108.000 ( 1.129 1.734 0.452) 2.118 108.396 ( -3.004 -4.378 -0.039) 5.309 ======================= Grid point 868 (174/285) ======================= q-point: ( 0.31 0.19 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 3.174 1.158 2.013) 3.933 3.219 ( -2.989 22.959 -1.473) 23.200 4.382 ( 8.527 -0.001 -6.014) 10.435 7.055 ( -6.543 -0.634 15.503) 16.839 7.324 ( -0.945 -1.767 6.551) 6.851 8.076 ( 6.968 -8.299 20.631) 23.303 9.540 ( -6.374 6.266 -0.386) 8.947 9.740 ( -4.773 5.578 -0.208) 7.344 10.335 ( 8.293 -1.573 -0.544) 8.458 11.185 ( 2.836 -5.700 1.811) 6.619 18.817 ( 0.480 32.387 10.203) 33.960 22.800 ( 7.107 -32.572 6.478) 33.962 26.149 ( 1.581 20.661 -11.350) 23.626 108.036 ( 0.770 1.912 0.340) 2.090 108.312 ( -1.947 -3.315 -0.343) 3.860 ======================= Grid point 869 (175/285) ======================= q-point: ( 0.38 0.19 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 3.272 -1.694 3.091) 4.809 3.340 ( -9.051 21.527 -1.713) 23.416 4.485 ( 5.666 -4.429 -6.092) 9.425 6.963 ( -6.799 5.149 18.251) 20.146 7.262 ( -1.162 -4.294 6.252) 7.673 8.119 ( 9.919 -11.902 21.735) 26.692 9.540 ( -2.344 8.324 -1.602) 8.794 9.725 ( -6.462 9.761 -1.288) 11.777 10.433 ( 6.436 -5.105 -0.053) 8.215 11.164 ( 2.754 -7.935 1.200) 8.485 19.025 ( -16.163 34.287 11.768) 39.690 22.672 ( 19.819 -37.931 6.062) 43.224 26.318 ( -4.520 17.032 -11.805) 21.210 108.061 ( -0.305 1.825 0.260) 1.868 108.263 ( -0.060 -2.329 -0.447) 2.373 ======================= Grid point 870 (176/285) ======================= q-point: (-0.56 0.19 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 1.953 -3.509 3.474) 5.310 3.339 ( -14.197 18.632 -1.600) 23.479 4.491 ( 1.602 -7.089 -6.172) 9.535 6.904 ( -7.761 8.525 18.643) 21.919 7.240 ( 4.098 -3.994 5.955) 8.259 8.178 ( 9.689 -11.611 21.264) 26.093 9.609 ( -0.995 10.006 -1.032) 10.108 9.705 ( -5.071 6.824 -1.197) 8.586 10.452 ( 2.499 -7.179 -0.535) 7.620 11.127 ( 2.351 -7.540 1.285) 8.002 18.951 ( -28.150 29.482 12.112) 42.524 22.725 ( 27.386 -34.585 5.771) 44.491 26.333 ( -10.966 12.565 -11.831) 20.447 108.058 ( -1.679 1.118 0.265) 2.034 108.266 ( 2.277 -1.056 -0.452) 2.551 ======================= Grid point 871 (177/285) ======================= q-point: (-0.50 0.19 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -0.787 -4.094 2.859) 5.055 3.217 ( -18.568 14.197 -1.205) 23.405 4.393 ( -3.965 -7.925 -6.167) 10.797 6.884 ( -4.886 10.627 16.266) 20.034 7.316 ( 6.995 -1.895 6.130) 9.492 8.197 ( 4.711 -10.941 19.569) 22.910 9.657 ( -7.383 12.858 0.074) 14.827 9.748 ( 8.161 -2.059 0.799) 8.454 10.362 ( -3.776 -8.393 -1.876) 9.392 11.107 ( 2.125 -3.475 2.163) 4.612 18.666 ( -31.722 20.608 10.982) 39.391 22.905 ( 26.531 -25.336 5.834) 37.146 26.184 ( -17.380 7.587 -11.427) 22.140 108.031 ( -2.146 0.485 0.353) 2.228 108.316 ( 3.932 -0.149 -0.355) 3.951 ======================= Grid point 872 (178/285) ======================= q-point: (-0.44 0.19 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -3.811 -3.710 2.330) 5.807 2.971 ( -21.728 7.869 -0.465) 23.114 4.191 ( -10.668 -5.798 -5.901) 13.500 6.956 ( -1.931 14.811 12.907) 19.741 7.423 ( 7.817 -4.188 6.268) 10.860 8.110 ( -2.215 -9.641 16.027) 18.834 9.662 ( -5.622 10.518 1.487) 12.018 9.878 ( 8.526 -9.201 3.231) 12.953 10.189 ( -2.953 -4.844 -2.853) 6.350 11.129 ( 1.380 1.133 3.322) 3.771 18.275 ( -30.422 11.607 8.613) 33.681 23.124 ( 20.511 -14.201 5.829) 25.619 25.874 ( -23.091 2.572 -10.649) 25.558 107.996 ( -2.086 0.221 0.463) 2.149 108.399 ( 5.307 0.118 -0.049) 5.308 ======================= Grid point 883 (179/285) ======================= q-point: ( 0.25 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -0.243 2.180 3.165) 3.850 3.383 ( 9.749 16.804 -1.203) 19.464 4.292 ( 1.906 3.899 -5.791) 7.237 7.054 ( 3.034 -4.154 13.133) 14.104 7.321 ( 0.218 -2.752 6.533) 7.092 8.012 ( -6.625 -1.811 23.317) 24.307 9.673 ( -5.876 -0.452 -0.561) 5.920 9.839 ( 5.089 5.398 1.180) 7.512 10.236 ( 0.640 3.377 -2.505) 4.253 11.096 ( -0.027 -4.932 2.039) 5.337 18.949 ( 21.232 27.976 9.430) 36.364 22.587 ( -17.204 -23.359 7.243) 29.901 26.252 ( 8.259 16.196 -11.903) 21.730 108.038 ( 1.288 1.937 0.342) 2.351 108.313 ( -2.249 -3.628 -0.291) 4.279 ======================= Grid point 884 (180/285) ======================= q-point: ( 0.31 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 0.927 -0.621 5.051) 5.173 3.649 ( -0.428 18.546 -1.877) 18.645 4.343 ( 3.905 -3.764 -5.252) 7.550 7.049 ( -0.382 1.636 12.521) 12.633 7.297 ( -2.250 -2.190 6.813) 7.502 7.881 ( 0.648 -9.958 28.400) 30.102 9.655 ( -1.563 7.445 -3.063) 8.201 9.948 ( -2.703 10.650 0.065) 10.987 10.268 ( 4.214 -4.821 -0.919) 6.469 11.036 ( 1.142 -8.007 0.611) 8.111 19.540 ( 4.788 37.510 10.114) 39.144 22.087 ( -2.020 -36.594 7.781) 37.467 26.494 ( 2.066 12.737 -12.744) 18.136 108.079 ( 0.783 2.230 0.204) 2.372 108.247 ( -1.272 -2.988 -0.333) 3.265 ======================= Grid point 885 (181/285) ======================= q-point: ( 0.38 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 1.637 -2.093 6.190) 6.736 3.742 ( -9.789 16.953 -2.137) 19.693 4.359 ( 4.549 -7.648 -4.968) 10.191 7.088 ( -1.673 7.287 13.850) 15.740 7.191 ( -4.100 -3.005 6.794) 8.485 7.867 ( 9.774 -11.750 28.245) 32.115 9.715 ( -2.656 8.817 -3.598) 9.887 9.952 ( -8.038 9.908 -0.373) 12.764 10.299 ( 5.889 -7.329 -0.130) 9.403 10.988 ( 3.309 -7.966 -0.097) 8.626 19.775 ( -23.915 37.091 10.675) 45.405 21.877 ( 24.090 -38.107 7.616) 45.722 26.581 ( -4.622 8.548 -13.049) 16.270 108.100 ( -1.181 1.865 0.133) 2.211 108.217 ( 1.284 -2.052 -0.312) 2.441 ======================= Grid point 887 (182/285) ======================= q-point: (-0.56 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 0.805 -2.088 5.286) 5.740 3.649 ( -15.857 9.649 -1.801) 18.649 4.346 ( 1.484 -5.538 -5.318) 7.820 7.043 ( -5.034 3.011 13.974) 15.155 7.227 ( 3.914 3.948 6.754) 8.748 7.947 ( 10.422 -9.608 26.803) 30.321 9.707 ( -3.365 0.870 -3.093) 4.653 9.908 ( -7.670 9.340 0.622) 12.102 10.298 ( 1.899 -7.005 -1.344) 7.381 11.007 ( 5.073 -2.778 0.641) 5.819 19.487 ( -37.010 18.622 10.379) 42.711 22.129 ( 34.150 -19.627 7.541) 40.104 26.502 ( -11.534 3.871 -12.760) 17.630 108.077 ( -2.390 0.593 0.208) 2.471 108.249 ( 3.284 -0.539 -0.336) 3.345 ======================= Grid point 901 (183/285) ======================= q-point: ( 0.31 0.31 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -0.492 -0.661 7.524) 7.569 3.966 ( 6.735 11.646 -2.701) 13.721 4.230 ( -3.878 -6.637 -4.133) 8.728 7.136 ( 1.102 6.022 8.152) 10.195 7.226 ( 1.487 -4.175 6.481) 7.852 7.703 ( -5.006 -6.145 34.991) 35.877 9.824 ( 2.868 6.858 -5.047) 8.985 10.099 ( 5.925 2.305 1.251) 6.479 10.168 ( -5.661 -2.771 -0.107) 6.304 10.898 ( -1.944 -4.143 -1.046) 4.695 20.318 ( 21.859 35.635 9.715) 42.919 21.326 ( -21.415 -35.046 8.697) 41.982 26.668 ( 2.355 4.219 -13.488) 14.327 108.126 ( 1.338 2.233 0.031) 2.603 108.190 ( -1.471 -2.465 -0.198) 2.878 ======================= Grid point 1084 (184/285) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 285 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 0.000 0.000 7.902) 7.902 1.199 ( 0.000 -0.000 7.902) 7.902 2.174 ( -0.000 -0.000 14.342) 14.342 6.693 ( 0.000 0.000 -3.809) 3.809 6.693 ( 0.000 -0.000 -3.809) 3.809 7.938 ( 0.000 0.000 2.338) 2.338 7.938 ( 0.000 -0.000 2.338) 2.338 10.740 ( 0.000 0.000 0.512) 0.512 11.313 ( 0.000 -0.000 -1.369) 1.369 12.968 ( -0.000 0.000 9.535) 9.535 12.968 ( 0.000 -0.000 9.535) 9.535 23.337 ( 0.000 0.000 -1.996) 1.996 23.337 ( 0.000 -0.000 -1.996) 1.996 107.874 ( 0.000 -0.000 0.658) 0.658 109.420 ( 0.000 0.000 -0.327) 0.327 ======================= Grid point 1085 (185/285) ======================= q-point: ( 0.06 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 2.583 1.492 7.326) 7.910 1.473 ( 19.779 11.419 6.965) 23.877 2.148 ( -1.540 -0.889 12.380) 12.507 6.747 ( 9.151 5.283 -0.826) 10.599 6.799 ( 4.206 2.428 -6.112) 7.806 7.906 ( 0.923 0.533 4.458) 4.583 8.256 ( 21.463 12.392 -0.800) 24.796 10.403 ( -36.882 -21.294 10.334) 43.824 10.876 ( -8.519 -4.918 -6.003) 11.524 12.919 ( -7.218 -4.167 8.007) 11.558 13.823 ( 54.232 31.311 2.581) 62.674 23.364 ( 4.439 2.563 -0.975) 5.218 23.432 ( 5.727 3.307 -2.975) 7.252 107.877 ( 0.284 0.164 0.649) 0.727 109.345 ( -6.011 -3.470 0.466) 6.957 ======================= Grid point 1086 (186/285) ======================= q-point: ( 0.12 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 6.029 3.481 5.159) 8.665 1.870 ( 5.077 2.931 13.550) 14.764 2.265 ( 18.681 10.785 0.950) 21.592 6.884 ( 2.928 1.690 -6.004) 6.890 7.096 ( 19.051 10.999 1.659) 22.060 7.985 ( 5.529 3.192 4.937) 8.070 8.845 ( 25.907 14.958 -3.095) 30.075 9.489 ( -35.022 -20.220 11.091) 41.933 10.793 ( -1.563 -0.903 -5.111) 5.420 12.630 ( -16.927 -9.773 7.397) 20.898 15.106 ( 51.133 29.522 -1.760) 59.070 23.539 ( 10.069 5.813 -0.759) 11.651 23.602 ( 8.398 4.848 -3.208) 10.214 107.888 ( 0.631 0.364 0.609) 0.950 109.160 ( -9.073 -5.238 1.571) 10.594 ======================= Grid point 1087 (187/285) ======================= q-point: ( 0.19 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 8.909 5.144 2.386) 10.561 1.844 ( -2.819 -1.628 11.498) 11.950 2.867 ( 27.149 15.674 -2.090) 31.418 6.940 ( 1.870 1.079 -3.562) 4.165 7.593 ( 21.764 12.565 4.059) 25.456 8.155 ( 8.477 4.894 3.597) 10.428 8.769 ( -24.336 -14.050 7.750) 29.150 9.429 ( 20.914 12.075 -0.648) 24.158 10.789 ( 1.606 0.927 -4.431) 4.804 12.137 ( -24.075 -13.899 7.922) 28.906 16.196 ( 40.525 23.397 -0.942) 46.804 23.818 ( 9.511 5.491 -2.193) 11.200 23.822 ( 13.292 7.674 -1.457) 15.417 107.907 ( 0.978 0.565 0.531) 1.248 108.936 ( -9.440 -5.450 1.725) 11.036 ======================= Grid point 1088 (188/285) ======================= q-point: ( 0.25 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 10.376 5.991 0.086) 11.982 1.803 ( -0.243 -0.140 7.481) 7.486 3.474 ( 23.413 13.517 -3.147) 27.217 6.976 ( 1.166 0.673 -0.130) 1.352 8.059 ( 13.692 7.905 4.797) 16.522 8.323 ( -10.646 -6.146 8.741) 15.084 8.369 ( 9.200 5.312 1.570) 10.739 9.835 ( 13.544 7.819 -0.393) 15.644 10.881 ( 6.109 3.527 -3.461) 7.858 11.520 ( -27.171 -15.687 9.119) 32.673 17.030 ( 29.969 17.302 1.579) 34.641 24.043 ( 9.333 5.389 0.046) 10.777 24.148 ( 13.825 7.982 -2.840) 16.215 107.934 ( 1.214 0.701 0.429) 1.466 108.723 ( -8.365 -4.830 1.175) 9.731 ======================= Grid point 1089 (189/285) ======================= q-point: ( 0.31 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 3.393 1.959 4.006) 5.604 1.982 ( 10.090 5.825 -1.295) 11.723 3.959 ( 17.304 9.990 -4.042) 20.386 6.993 ( 0.184 0.106 3.542) 3.548 7.966 ( -8.797 -5.079 5.361) 11.485 8.490 ( 11.162 6.444 9.027) 15.736 8.578 ( 8.215 4.743 -0.374) 9.493 10.111 ( 10.622 6.133 -0.123) 12.266 10.887 ( -25.376 -14.651 10.087) 30.990 11.054 ( 7.759 4.480 -1.954) 9.170 17.622 ( 19.998 11.546 3.998) 23.435 24.256 ( 8.563 4.944 2.549) 10.211 24.460 ( 12.168 7.025 -4.531) 14.762 107.963 ( 1.259 0.727 0.327) 1.490 108.545 ( -6.620 -3.822 0.491) 7.659 ======================= Grid point 1090 (190/285) ======================= q-point: ( 0.38 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 5.579 3.221 1.610) 6.640 2.200 ( 8.047 4.646 -1.862) 9.477 4.293 ( 10.987 6.343 -4.873) 13.590 6.980 ( -1.350 -0.780 7.366) 7.529 7.804 ( -4.929 -2.846 5.645) 8.016 8.675 ( 4.636 2.677 8.545) 10.084 8.750 ( 6.115 3.530 -1.943) 7.323 10.356 ( -18.606 -10.742 9.921) 23.664 10.359 ( 10.170 5.871 0.453) 11.751 11.223 ( 6.073 3.506 -0.604) 7.039 17.981 ( 10.408 6.009 6.441) 13.635 24.448 ( 7.536 4.351 4.109) 9.623 24.714 ( 9.051 5.226 -6.161) 12.132 107.991 ( 1.069 0.617 0.250) 1.260 108.412 ( -4.563 -2.634 -0.039) 5.269 ======================= Grid point 1091 (191/285) ======================= q-point: ( 0.44 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 5.157 2.977 0.023) 5.954 2.351 ( 4.481 2.587 -1.922) 5.520 4.487 ( 5.516 3.185 -5.669) 8.527 6.928 ( -2.982 -1.722 11.112) 11.634 7.723 ( -2.091 -1.207 5.816) 6.298 8.736 ( 1.221 0.705 7.791) 7.917 8.863 ( 3.443 1.988 -3.001) 4.981 10.034 ( -8.211 -4.741 8.393) 12.662 10.570 ( 7.016 4.051 0.882) 8.149 11.331 ( 2.901 1.675 0.325) 3.366 18.124 ( 1.903 1.099 9.343) 9.598 24.609 ( 5.874 3.391 4.084) 7.917 24.883 ( 5.118 2.955 -7.444) 9.505 108.012 ( 0.578 0.334 0.238) 0.708 108.330 ( -2.290 -1.322 -0.377) 2.671 ======================= Grid point 1092 (192/285) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 2.477 1.430 -1.163) 3.088 2.405 ( -0.063 -0.036 -1.733) 1.734 4.559 ( 0.560 0.324 -6.263) 6.297 6.845 ( -3.814 -2.202 13.909) 14.590 7.699 ( 0.031 0.018 5.908) 5.908 8.757 ( 0.839 0.484 7.276) 7.340 8.914 ( 0.840 0.485 -3.547) 3.677 9.971 ( 2.771 1.600 6.487) 7.234 10.668 ( 0.868 0.501 0.567) 1.152 11.356 ( -0.830 -0.479 0.963) 1.359 18.089 ( -4.378 -2.527 12.331) 13.327 24.715 ( 2.793 1.612 2.764) 4.248 24.954 ( 0.852 0.492 -8.211) 8.270 108.017 ( -0.183 -0.106 0.309) 0.374 108.305 ( 0.166 0.096 -0.553) 0.585 ======================= Grid point 1094 (193/285) ======================= q-point: (-0.44 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -1.067 -0.616 -1.861) 2.232 2.348 ( -4.687 -2.706 -1.398) 5.589 4.509 ( -4.905 -2.832 -6.309) 8.478 6.755 ( -3.599 -2.078 14.957) 15.524 7.725 ( 2.214 1.278 5.761) 6.303 8.783 ( 1.311 0.757 6.882) 7.047 8.905 ( -1.515 -0.875 -3.745) 4.134 10.149 ( 11.744 6.780 5.575) 14.662 10.601 ( -6.523 -3.766 -0.289) 7.538 11.294 ( -4.266 -2.463 1.371) 5.113 17.936 ( -8.147 -4.704 14.168) 17.007 24.727 ( -2.059 -1.189 1.061) 2.604 24.924 ( -3.371 -1.946 -8.422) 9.278 108.004 ( -0.806 -0.465 0.411) 1.017 108.337 ( 2.491 1.438 -0.531) 2.925 ======================= Grid point 1095 (194/285) ======================= q-point: (-0.38 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -3.702 -2.137 -1.488) 4.526 2.190 ( -8.341 -4.816 -0.890) 9.672 4.319 ( -11.325 -6.538 -5.603) 14.227 6.677 ( -2.958 -1.708 14.279) 14.682 7.808 ( 4.810 2.777 5.471) 7.796 8.805 ( 0.045 0.026 5.877) 5.877 8.843 ( -3.703 -2.138 -3.713) 5.663 10.368 ( -12.663 -7.311 -0.645) 14.636 10.505 ( 17.789 10.270 6.133) 21.437 11.162 ( -6.621 -3.823 1.141) 7.730 17.713 ( -10.674 -6.163 13.454) 18.246 24.608 ( -7.983 -4.609 -0.104) 9.218 24.797 ( -7.228 -4.173 -8.161) 11.673 107.981 ( -1.088 -0.628 0.496) 1.351 108.421 ( 4.571 2.639 -0.255) 5.285 ======================= Grid point 1096 (195/285) ======================= q-point: (-0.31 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -10.209 -5.894 -0.108) 11.789 2.037 ( -4.088 -2.360 0.657) 4.766 3.969 ( -18.099 -10.450 -4.376) 21.353 6.615 ( -2.357 -1.361 12.359) 12.655 7.954 ( 7.440 4.296 5.516) 10.209 8.732 ( -5.558 -3.209 -3.535) 7.327 8.751 ( -5.435 -3.138 3.218) 7.053 10.035 ( -14.585 -8.421 0.735) 16.858 10.970 ( 20.961 12.102 7.832) 25.439 10.993 ( -7.284 -4.205 -0.254) 8.414 17.420 ( -14.458 -8.348 9.475) 19.197 24.354 ( -13.168 -7.603 -0.213) 15.207 24.586 ( -10.402 -6.006 -7.581) 14.203 107.954 ( -1.153 -0.666 0.551) 1.441 108.553 ( 6.522 3.765 0.298) 7.537 ======================= Grid point 1097 (196/285) ======================= q-point: (-0.25 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -10.014 -5.782 1.083) 11.614 1.959 ( -2.250 -1.299 4.785) 5.445 3.467 ( -23.975 -13.842 -3.072) 27.853 6.566 ( -1.662 -0.959 9.670) 9.859 8.118 ( 2.921 1.686 4.626) 5.725 8.559 ( -7.291 -4.209 1.274) 8.514 8.583 ( -6.953 -4.014 -3.230) 8.654 9.706 ( -12.988 -7.498 2.705) 15.239 10.839 ( -5.210 -3.008 -2.443) 6.493 11.481 ( 21.802 12.587 9.928) 27.061 16.994 ( -22.376 -12.919 2.863) 25.995 24.009 ( -15.214 -8.784 0.628) 17.578 24.312 ( -12.536 -7.238 -6.813) 15.998 107.928 ( -1.072 -0.619 0.582) 1.368 108.728 ( 8.243 4.759 1.045) 9.575 ======================= Grid point 1098 (197/285) ======================= q-point: (-0.19 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -8.150 -4.705 2.782) 9.814 1.933 ( -0.236 -0.136 10.097) 10.100 2.853 ( -27.083 -15.636 -1.934) 31.332 6.540 ( -0.495 -0.286 6.535) 6.560 7.867 ( -20.226 -11.677 -3.127) 23.563 8.407 ( -7.728 -4.462 -2.686) 9.319 8.630 ( 7.560 4.365 9.099) 12.610 9.441 ( -6.593 -3.807 1.419) 7.744 10.763 ( -1.077 -0.622 -4.079) 4.264 11.988 ( 20.673 11.935 11.541) 26.514 16.313 ( -35.916 -20.736 -3.793) 41.645 23.669 ( -12.670 -7.315 1.505) 14.707 24.004 ( -13.178 -7.608 -5.891) 16.317 107.904 ( -0.866 -0.500 0.605) 1.169 108.939 ( 9.345 5.395 1.661) 10.918 ======================= Grid point 1099 (198/285) ======================= q-point: (-0.12 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -5.554 -3.206 4.871) 8.053 1.880 ( -8.744 -5.048 13.020) 16.476 2.271 ( -16.931 -9.775 1.355) 19.597 6.548 ( 1.255 0.725 3.129) 3.449 7.355 ( -21.044 -12.150 -5.414) 24.895 8.223 ( -7.607 -4.392 -1.676) 8.942 8.530 ( -15.970 -9.220 6.344) 19.501 9.665 ( 25.688 14.831 5.806) 30.225 10.777 ( 1.949 1.125 -5.079) 5.555 12.444 ( 17.397 10.044 12.002) 23.401 15.271 ( -51.720 -29.861 -5.966) 60.018 23.433 ( -7.090 -4.093 1.177) 8.271 23.703 ( -11.808 -6.817 -4.761) 14.442 107.887 ( -0.574 -0.332 0.632) 0.916 109.161 ( 9.025 5.211 1.551) 10.536 ======================= Grid point 1100 (199/285) ======================= q-point: (-0.06 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -3.019 -1.743 6.846) 7.683 1.456 ( -19.396 -11.198 7.412) 23.591 2.154 ( 0.853 0.493 12.282) 12.322 6.601 ( 3.182 1.837 -0.423) 3.698 6.925 ( -14.471 -8.355 -5.802) 17.688 8.056 ( -6.266 -3.617 0.019) 7.235 8.106 ( -15.692 -9.060 3.606) 18.475 10.443 ( 32.881 18.984 9.363) 39.105 10.873 ( 9.476 5.471 -6.242) 12.597 12.792 ( 11.504 6.642 11.170) 17.355 13.933 ( -57.784 -33.362 -0.079) 66.723 23.330 ( -1.778 -1.026 -0.401) 2.091 23.463 ( -8.066 -4.657 -3.400) 9.915 107.877 ( -0.270 -0.156 0.652) 0.723 109.345 ( 5.999 3.464 0.464) 6.943 ======================= Grid point 1102 (200/285) ======================= q-point: ( 0.06 0.06 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 3.647 8.149 5.614) 10.546 1.791 ( 9.014 14.600 10.582) 20.160 2.176 ( 3.620 7.534 5.273) 9.883 6.700 ( 13.241 -2.306 0.071) 13.441 7.101 ( -0.735 18.840 -4.236) 19.325 8.052 ( -3.301 11.189 3.140) 12.081 8.576 ( 21.925 17.804 -0.196) 28.245 9.782 ( -24.587 -31.975 9.220) 41.375 10.797 ( -0.987 -2.799 -5.397) 6.159 12.638 ( -2.268 -18.965 9.818) 21.476 14.856 ( 25.660 57.675 -3.383) 63.216 23.411 ( 5.276 3.468 0.178) 6.316 23.615 ( 4.515 12.839 -3.944) 14.170 107.884 ( 0.318 0.502 0.631) 0.867 109.216 ( -4.956 -8.542 1.343) 9.966 ======================= Grid point 1103 (201/285) ======================= q-point: ( 0.12 0.06 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 3.973 14.402 3.535) 15.353 1.876 ( -2.191 -1.033 12.709) 12.938 2.591 ( 21.616 19.351 -1.753) 29.065 6.925 ( 8.754 2.563 -2.689) 9.510 7.330 ( 10.792 11.503 2.634) 15.991 8.158 ( 1.379 10.100 3.459) 10.764 9.094 ( -24.198 -13.184 7.396) 28.532 9.154 ( 23.228 13.231 -0.796) 26.744 10.768 ( 0.311 -1.297 -4.693) 4.879 12.293 ( -13.027 -20.929 8.810) 26.179 15.883 ( 30.472 41.546 -2.689) 51.593 23.562 ( 8.819 0.448 0.207) 8.833 23.887 ( 7.702 18.384 -3.993) 20.328 107.899 ( 0.674 0.721 0.575) 1.142 109.017 ( -7.224 -8.284 1.774) 11.133 ======================= Grid point 1104 (202/285) ======================= q-point: ( 0.19 0.06 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 3.419 17.233 1.491) 17.632 1.823 ( -1.889 0.661 8.739) 8.965 3.190 ( 23.927 15.471 -2.910) 28.641 7.036 ( -1.086 7.726 -1.986) 8.050 7.708 ( 22.561 0.676 6.979) 23.625 8.198 ( -2.628 -6.356 4.138) 8.027 8.748 ( -13.456 15.628 4.654) 21.141 9.630 ( 17.960 7.172 -0.488) 19.346 10.791 ( 3.735 -1.518 -3.924) 5.626 11.779 ( -20.284 -19.013 9.063) 29.242 16.762 ( 26.845 29.895 0.116) 40.180 23.721 ( 11.769 -5.579 0.691) 13.043 24.244 ( 7.636 23.364 -3.977) 24.900 107.922 ( 0.974 0.915 0.487) 1.422 108.805 ( -7.431 -7.097 1.424) 10.373 ======================= Grid point 1105 (203/285) ======================= q-point: ( 0.25 0.06 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 1.266 1.673 5.203) 5.610 2.011 ( 2.725 19.580 -0.319) 19.771 3.725 ( 20.468 10.846 -3.756) 23.466 7.071 ( -3.807 8.051 1.424) 9.019 7.958 ( 1.338 -16.765 6.690) 18.100 8.138 ( 14.691 2.316 5.717) 15.934 8.826 ( -5.726 23.764 2.965) 24.623 9.953 ( 12.999 3.805 -0.174) 13.545 10.807 ( 1.725 -14.179 0.023) 14.284 11.278 ( -16.759 -4.017 7.015) 18.607 17.448 ( 19.736 22.878 2.813) 30.345 23.862 ( 14.661 -12.762 1.763) 19.517 24.616 ( 4.947 26.367 -4.172) 27.149 107.951 ( 1.113 1.042 0.386) 1.573 108.614 ( -6.483 -5.609 0.760) 8.606 ======================= Grid point 1106 (204/285) ======================= q-point: ( 0.31 0.06 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 4.327 3.101 2.560) 5.907 2.248 ( 1.250 18.973 -1.322) 19.060 4.129 ( 14.790 6.589 -4.491) 16.803 7.069 ( -5.016 6.714 5.287) 9.909 7.787 ( -1.620 -11.232 5.445) 12.587 8.431 ( 14.691 -0.892 6.603) 16.131 8.945 ( -5.982 18.596 2.068) 19.644 10.189 ( 9.970 -0.549 1.246) 10.062 10.480 ( -10.329 -18.436 6.722) 22.176 11.211 ( 0.973 6.551 0.699) 6.660 17.930 ( 10.391 18.576 5.108) 21.889 23.981 ( 17.654 -19.812 2.650) 26.669 24.946 ( 0.751 27.503 -4.602) 27.896 107.982 ( 1.023 1.085 0.291) 1.520 108.462 ( -4.923 -4.099 0.168) 6.409 ======================= Grid point 1107 (205/285) ======================= q-point: ( 0.38 0.06 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 5.492 3.000 0.872) 6.319 2.433 ( -1.503 17.139 -1.654) 17.284 4.388 ( 9.058 2.948 -5.196) 10.851 7.030 ( -6.185 5.192 9.276) 12.299 7.677 ( 0.622 -8.618 5.264) 10.117 8.628 ( 8.629 -1.029 7.279) 11.335 8.998 ( -6.317 13.753 0.007) 15.134 10.039 ( -5.534 -16.921 7.897) 19.476 10.474 ( 8.157 3.575 0.635) 8.928 11.304 ( 2.785 3.031 0.466) 4.143 18.198 ( 0.206 15.403 7.622) 17.186 24.085 ( 20.198 -25.549 2.592) 32.672 25.198 ( -4.172 27.071 -5.205) 27.881 108.008 ( 0.642 1.011 0.236) 1.220 108.357 ( -2.986 -2.666 -0.233) 4.010 ======================= Grid point 1108 (206/285) ======================= q-point: ( 0.44 0.06 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 4.195 1.395 -0.285) 4.430 2.537 ( -5.451 14.653 -1.632) 15.719 4.518 ( 4.052 -0.173 -5.828) 7.100 6.959 ( -7.239 4.357 12.724) 15.274 7.627 ( 2.839 -7.279 5.300) 9.440 8.722 ( 3.380 -0.864 8.409) 9.103 9.020 ( -5.365 11.303 -2.350) 12.730 9.873 ( 2.794 -9.495 6.235) 11.697 10.619 ( 4.917 0.185 0.555) 4.952 11.353 ( 0.909 -0.214 0.969) 1.346 18.263 ( -8.654 12.610 10.512) 18.558 24.172 ( 20.985 -29.197 1.508) 35.988 25.347 ( -9.358 25.184 -5.865) 27.500 108.023 ( -0.094 0.731 0.260) 0.782 108.303 ( -0.695 -1.258 -0.469) 1.512 ======================= Grid point 1109 (207/285) ======================= q-point: (-0.50 0.06 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 1.200 -1.022 -1.112) 1.929 2.536 ( -10.027 12.099 -1.465) 15.782 4.529 ( -0.927 -3.223 -6.158) 7.012 6.870 ( -7.482 4.393 14.644) 17.021 7.630 ( 5.073 -5.848 5.270) 9.365 8.742 ( 0.806 -2.186 7.877) 8.214 9.042 ( -5.287 11.431 -2.751) 12.891 9.941 ( 12.106 -3.914 4.879) 13.627 10.632 ( -1.458 -4.037 -0.084) 4.292 11.330 ( -1.964 -2.318 1.605) 3.436 18.168 ( -14.517 10.015 12.938) 21.873 24.223 ( 18.932 -30.544 0.074) 35.935 25.377 ( -14.547 21.846 -6.458) 27.029 108.019 ( -0.905 0.291 0.350) 1.013 108.307 ( 1.724 0.115 -0.550) 1.814 ======================= Grid point 1110 (208/285) ======================= q-point: (-0.44 0.06 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -1.935 -3.237 -1.247) 3.973 2.432 ( -14.264 10.015 -1.199) 17.469 4.412 ( -6.813 -6.591 -5.886) 11.159 6.790 ( -7.004 5.288 14.667) 17.092 7.689 ( 7.322 -3.866 4.993) 9.669 8.702 ( -0.620 -6.390 5.520) 8.467 9.067 ( -6.275 13.405 -1.251) 14.854 10.202 ( 19.558 -1.308 4.752) 20.170 10.482 ( -8.499 -7.722 -0.891) 11.518 11.245 ( -4.642 -2.151 2.185) 5.563 17.969 ( -17.519 7.317 13.524) 23.310 24.209 ( 14.090 -29.648 -0.868) 32.837 25.276 ( -19.448 17.230 -6.851) 26.870 107.999 ( -1.333 -0.045 0.444) 1.406 108.365 ( 3.916 1.247 -0.418) 4.131 ======================= Grid point 1111 (209/285) ======================= q-point: (-0.38 0.06 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -3.804 -4.196 -0.019) 5.664 2.246 ( -16.905 8.561 -0.727) 18.963 4.146 ( -13.571 -10.072 -4.994) 17.622 6.731 ( -6.701 6.906 13.144) 16.290 7.812 ( 9.748 -1.770 4.713) 10.971 8.579 ( -2.546 -12.471 3.028) 13.084 9.084 ( -8.943 15.263 -0.351) 17.693 10.187 ( -13.171 -10.245 -0.131) 16.687 10.575 ( 22.800 -3.161 4.239) 23.406 11.147 ( -5.081 2.625 3.022) 6.468 17.697 ( -19.640 3.819 11.247) 22.952 24.112 ( 7.466 -26.489 -0.872) 27.534 25.042 ( -23.334 11.852 -6.921) 27.071 107.973 ( -1.441 -0.219 0.513) 1.545 108.470 ( 5.994 2.103 -0.025) 6.352 ======================= Grid point 1112 (210/285) ======================= q-point: (-0.31 0.06 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -7.497 -1.069 2.355) 7.930 2.033 ( -13.342 5.032 0.819) 14.283 3.726 ( -20.273 -12.698 -3.842) 24.228 6.692 ( -6.868 8.869 10.606) 15.437 7.999 ( 11.907 0.233 4.982) 12.910 8.350 ( -4.992 -19.370 1.059) 20.031 9.036 ( -15.123 15.995 -1.571) 22.068 9.838 ( -12.805 -10.910 2.001) 16.941 10.801 ( 6.298 -8.326 -0.812) 10.471 11.263 ( 13.284 11.035 8.307) 19.163 17.331 ( -23.918 -1.191 6.129) 24.720 23.937 ( 0.489 -20.820 -0.021) 20.826 24.702 ( -24.890 6.385 -6.629) 26.538 107.945 ( -1.382 -0.273 0.553) 1.513 108.620 ( 8.028 2.664 0.618) 8.481 ======================= Grid point 1113 (211/285) ======================= q-point: (-0.25 0.06 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -15.788 5.608 2.261) 16.906 1.928 ( -1.444 -1.619 6.871) 7.205 3.180 ( -25.692 -12.897 -2.771) 28.880 6.669 ( -6.940 10.796 7.459) 14.844 7.982 ( -11.953 -18.654 -0.472) 22.160 8.235 ( 12.793 -4.480 4.475) 14.275 8.900 ( -15.723 15.722 -0.740) 22.248 9.521 ( -10.677 -10.398 2.777) 15.160 10.767 ( -0.571 -2.916 -3.490) 4.584 11.711 ( 22.356 9.159 10.703) 26.424 16.787 ( -33.307 -7.486 -0.282) 34.139 23.720 ( -4.902 -12.680 1.062) 13.636 24.310 ( -23.172 1.477 -6.035) 23.990 107.919 ( -1.202 -0.232 0.577) 1.353 108.807 ( 9.794 2.756 1.348) 10.264 ======================= Grid point 1114 (212/285) ======================= q-point: (-0.19 0.06 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -13.781 3.517 3.615) 14.675 1.911 ( 0.393 -1.883 12.205) 12.356 2.583 ( -27.297 -8.454 -1.686) 28.625 6.669 ( -6.278 12.247 3.877) 14.299 7.534 ( -16.003 -17.349 -2.862) 23.776 8.265 ( -4.548 -6.134 1.787) 7.842 8.863 ( -12.978 13.563 4.920) 19.406 9.335 ( 9.608 -7.736 2.209) 12.532 10.756 ( 1.048 0.118 -4.584) 4.703 12.200 ( 21.817 8.415 11.088) 25.879 15.963 ( -48.228 -12.083 -4.697) 49.940 23.526 ( -6.791 -3.778 1.296) 7.878 23.929 ( -18.926 -1.891 -5.143) 19.704 107.898 ( -0.922 -0.119 0.603) 1.108 109.017 ( 10.752 2.026 1.749) 11.081 ======================= Grid point 1119 (213/285) ======================= q-point: ( 0.12 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 4.848 8.074 5.048) 10.685 1.895 ( 2.061 8.951 6.142) 11.050 3.027 ( 13.551 22.691 -3.009) 26.600 6.959 ( 16.699 0.572 2.631) 16.914 7.609 ( -4.995 15.544 2.996) 16.599 8.203 ( -4.682 -6.612 4.366) 9.203 9.070 ( -1.477 11.258 2.186) 11.563 9.398 ( 12.324 9.658 0.623) 15.670 10.741 ( -0.184 -1.547 -4.042) 4.332 11.835 ( -10.313 -22.429 10.206) 26.713 16.693 ( 19.353 35.882 -1.123) 40.784 23.583 ( 0.872 1.533 1.630) 2.401 24.312 ( 11.159 22.391 -5.525) 25.620 107.918 ( 0.716 1.061 0.542) 1.390 108.836 ( -5.278 -8.990 1.476) 10.529 ======================= Grid point 1120 (214/285) ======================= q-point: ( 0.19 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -0.831 2.005 5.563) 5.971 2.190 ( 4.738 22.042 0.978) 22.567 3.502 ( 17.205 15.025 -3.893) 23.171 7.198 ( 4.924 6.119 0.377) 7.863 7.690 ( 4.124 -2.147 9.386) 10.474 8.066 ( -0.661 -2.344 4.354) 4.989 9.188 ( -6.402 23.288 2.132) 24.246 9.724 ( 15.925 2.234 0.025) 16.081 10.677 ( -2.191 -10.657 -1.872) 11.040 11.442 ( -10.868 -12.108 8.616) 18.410 17.372 ( 19.270 28.881 2.096) 34.782 23.590 ( 3.264 -7.193 2.648) 8.331 24.750 ( 9.874 25.245 -5.926) 27.747 107.945 ( 0.974 1.240 0.457) 1.641 108.655 ( -5.442 -7.215 0.887) 9.080 ======================= Grid point 1121 (215/285) ======================= q-point: ( 0.25 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 1.935 3.415 3.132) 5.021 2.477 ( 0.551 24.333 -0.292) 24.341 3.922 ( 15.953 8.487 -4.391) 18.596 7.265 ( -5.482 9.529 2.378) 11.247 7.644 ( 2.251 -13.595 7.346) 15.616 8.204 ( 11.276 4.489 8.066) 14.573 9.281 ( -8.517 20.068 2.294) 21.921 9.994 ( 11.945 -0.137 0.721) 11.967 10.412 ( -6.678 -19.772 2.617) 21.033 11.273 ( -2.463 0.358 3.802) 4.544 17.955 ( 13.895 26.311 4.277) 30.061 23.557 ( 7.181 -16.918 3.771) 18.762 25.160 ( 6.223 25.871 -6.263) 27.336 107.976 ( 1.035 1.382 0.359) 1.763 108.500 ( -4.678 -5.436 0.305) 7.178 ======================= Grid point 1122 (216/285) ======================= q-point: ( 0.31 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 4.101 3.409 1.685) 5.593 2.704 ( -3.194 24.143 -0.997) 24.373 4.232 ( 11.821 3.493 -4.771) 13.217 7.228 ( -7.738 7.449 6.937) 12.786 7.555 ( 1.775 -10.218 5.002) 11.515 8.449 ( 11.078 1.967 10.536) 15.414 9.301 ( -9.555 15.966 1.376) 18.657 9.943 ( -5.022 -17.302 5.224) 18.758 10.338 ( 9.262 -0.171 -0.174) 9.266 11.283 ( 1.768 0.178 1.497) 2.323 18.387 ( 4.012 25.997 6.127) 27.009 23.511 ( 12.755 -25.891 4.285) 29.179 25.491 ( 1.425 24.803 -6.683) 25.727 108.008 ( 0.823 1.475 0.268) 1.710 108.380 ( -3.340 -3.858 -0.105) 5.104 ======================= Grid point 1123 (217/285) ======================= q-point: ( 0.38 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 4.322 1.897 0.900) 4.805 2.853 ( -7.151 22.430 -1.227) 23.574 4.415 ( 7.072 -0.310 -5.146) 8.752 7.159 ( -7.798 6.330 10.931) 14.845 7.494 ( 2.006 -8.264 4.416) 9.583 8.617 ( 7.073 -0.896 12.583) 14.463 9.289 ( -8.645 14.231 -0.295) 16.654 9.731 ( -0.573 -11.297 3.240) 11.767 10.499 ( 7.887 -1.138 0.101) 7.970 11.309 ( 2.348 -2.932 1.081) 3.908 18.619 ( -7.885 25.521 8.364) 27.990 23.491 ( 18.692 -31.966 3.758) 37.220 25.712 ( -3.959 22.412 -7.225) 23.878 108.033 ( 0.211 1.429 0.227) 1.462 108.304 ( -1.497 -2.488 -0.344) 2.924 ======================= Grid point 1124 (218/285) ======================= q-point: ( 0.44 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 2.485 -0.488 0.292) 2.549 2.905 ( -11.516 20.016 -1.215) 23.125 4.480 ( 2.451 -3.457 -5.473) 6.922 7.081 ( -8.566 6.881 13.595) 17.480 7.467 ( 4.384 -7.492 4.454) 9.757 8.687 ( 3.201 -2.880 12.865) 13.566 9.299 ( -7.249 15.169 -1.696) 16.897 9.699 ( 6.991 -6.381 1.712) 9.619 10.571 ( 3.189 -4.663 -0.128) 5.650 11.300 ( 1.248 -5.162 1.532) 5.527 18.636 ( -17.954 23.232 10.716) 31.256 23.520 ( 22.204 -33.677 2.519) 40.417 25.804 ( -9.667 18.914 -7.773) 22.619 108.041 ( -0.804 1.052 0.272) 1.352 108.279 ( 0.838 -1.138 -0.473) 1.491 ======================= Grid point 1126 (219/285) ======================= q-point: (-0.50 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -0.428 -2.809 -0.164) 2.847 2.854 ( -15.872 17.463 -1.074) 23.623 4.429 ( -2.699 -6.425 -5.567) 8.919 7.004 ( -8.368 7.975 14.323) 18.406 7.502 ( 7.204 -5.748 4.348) 10.190 8.671 ( -0.934 -4.613 10.703) 11.693 9.335 ( -6.829 15.951 -1.396) 17.407 9.843 ( 15.405 -4.981 1.967) 16.309 10.507 ( -3.326 -7.899 -0.906) 8.619 11.255 ( -0.208 -4.805 2.518) 5.429 18.476 ( -23.785 18.962 11.989) 32.696 23.578 ( 21.386 -31.210 1.462) 37.862 25.753 ( -15.476 14.548 -8.139) 22.746 108.027 ( -1.545 0.522 0.360) 1.670 108.309 ( 3.081 0.062 -0.464) 3.116 ======================= Grid point 1127 (220/285) ======================= q-point: (-0.44 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -2.825 -4.197 0.053) 5.060 2.704 ( -19.407 14.882 -0.714) 24.467 4.247 ( -8.915 -9.038 -5.236) 13.733 6.957 ( -7.481 10.384 13.238) 18.413 7.601 ( 9.521 -4.257 3.904) 11.136 8.552 ( -5.213 -8.075 7.826) 12.395 9.382 ( -6.604 16.187 -0.298) 17.485 10.119 ( 20.450 -6.206 3.489) 21.654 10.295 ( -9.058 -9.943 -1.989) 13.596 11.209 ( -0.945 -1.147 3.680) 3.968 18.196 ( -26.122 13.334 11.087) 31.354 23.627 ( 16.715 -25.669 1.181) 30.654 25.553 ( -20.935 9.731 -8.145) 24.480 108.001 ( -1.748 0.183 0.439) 1.812 108.386 ( 5.056 0.822 -0.256) 5.128 ======================= Grid point 1128 (221/285) ======================= q-point: (-0.38 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -3.356 -4.222 1.608) 5.628 2.477 ( -21.275 11.721 0.030) 24.290 3.928 ( -15.683 -10.013 -4.591) 19.165 6.948 ( -7.569 13.553 10.748) 18.881 7.749 ( 11.971 -4.496 3.612) 13.288 8.324 ( -8.629 -11.580 5.569) 15.478 9.419 ( -8.879 16.575 -0.370) 18.807 9.946 ( -13.292 -13.358 0.839) 18.863 10.457 ( 20.513 -6.187 1.075) 21.452 11.225 ( 2.368 3.890 5.715) 7.307 17.823 ( -27.786 7.042 7.818) 29.711 23.640 ( 10.033 -18.028 1.563) 20.690 25.216 ( -25.134 5.063 -7.693) 26.768 107.971 ( -1.700 0.029 0.490) 1.769 108.504 ( 7.029 1.129 0.191) 7.121 ======================= Grid point 1129 (222/285) ======================= q-point: (-0.31 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -1.916 -3.044 4.663) 5.889 2.194 ( -20.946 6.543 1.216) 21.978 3.499 ( -21.907 -7.260 -3.876) 23.402 6.957 ( -8.516 15.732 7.210) 19.287 7.876 ( 5.506 -14.750 3.671) 16.166 8.077 ( -2.320 -3.163 4.341) 5.851 9.349 ( -17.839 11.053 -2.344) 21.116 9.597 ( -9.278 -9.832 3.500) 13.964 10.676 ( 8.885 -3.310 -2.120) 9.715 11.425 ( 15.709 4.627 9.273) 18.819 17.338 ( -32.036 1.258 3.105) 32.211 23.618 ( 3.347 -9.082 1.974) 9.879 24.781 ( -26.798 1.154 -6.792) 27.669 107.942 ( -1.532 0.010 0.518) 1.617 108.657 ( 8.943 0.906 0.834) 9.027 ======================= Grid point 1137 (223/285) ======================= q-point: ( 0.19 0.19 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -0.581 4.203 2.837) 5.104 2.621 ( 11.062 19.191 0.452) 22.155 3.806 ( 8.208 14.408 -4.590) 17.205 7.242 ( 14.020 -1.415 5.858) 15.260 7.619 ( -10.894 -4.451 5.256) 12.889 8.158 ( 1.959 9.997 7.706) 12.773 9.632 ( -8.110 17.340 2.450) 19.299 9.745 ( 16.724 2.157 -0.565) 16.872 10.375 ( -11.038 -16.800 0.528) 20.109 11.282 ( -1.145 -4.744 5.747) 7.539 17.938 ( 18.980 26.157 5.052) 32.710 23.423 ( -7.806 -9.069 3.520) 12.472 25.253 ( 11.664 23.062 -7.501) 26.911 107.973 ( 1.020 1.492 0.433) 1.858 108.515 ( -3.812 -6.364 0.315) 7.425 ======================= Grid point 1138 (224/285) ======================= q-point: ( 0.25 0.19 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 1.509 4.165 1.947) 4.839 2.964 ( 3.394 22.195 -0.351) 22.456 4.076 ( 9.698 6.444 -4.717) 12.563 7.401 ( 6.243 -6.550 6.239) 10.991 7.417 ( -7.443 1.136 4.609) 8.828 8.329 ( 6.173 7.346 13.185) 16.307 9.633 ( -9.659 13.553 2.299) 16.801 9.880 ( -3.334 -10.957 3.063) 11.855 10.159 ( 7.301 -3.078 -2.247) 8.235 11.243 ( 0.595 -3.505 2.931) 4.608 18.523 ( 14.138 28.779 5.999) 32.621 23.169 ( -2.970 -20.747 4.886) 21.520 25.653 ( 7.198 21.637 -8.059) 24.185 108.008 ( 1.042 1.669 0.329) 1.995 108.395 ( -3.226 -4.706 -0.057) 5.706 ======================= Grid point 1139 (225/285) ======================= q-point: ( 0.31 0.19 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 2.801 2.753 1.834) 4.335 3.195 ( -3.403 22.830 -0.906) 23.100 4.273 ( 8.274 0.447 -4.618) 9.486 7.290 ( -2.885 -2.808 8.187) 9.124 7.432 ( -1.044 -0.661 4.002) 4.189 8.488 ( 6.033 1.123 19.033) 19.997 9.550 ( -7.745 3.132 1.482) 8.485 9.726 ( -5.634 2.941 -1.160) 6.460 10.322 ( 9.695 -2.034 -0.761) 9.935 11.217 ( 2.067 -6.341 1.302) 6.795 18.993 ( 2.089 32.785 6.972) 33.584 22.922 ( 6.268 -31.379 5.421) 32.454 25.944 ( 1.870 18.990 -8.595) 20.928 108.042 ( 0.711 1.829 0.231) 1.976 108.305 ( -2.082 -3.390 -0.252) 3.986 ======================= Grid point 1140 (226/285) ======================= q-point: ( 0.38 0.19 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 2.443 0.536 1.866) 3.121 3.311 ( -9.038 21.396 -1.120) 23.253 4.376 ( 5.081 -3.557 -4.601) 7.722 7.247 ( -1.780 1.620 10.005) 10.291 7.373 ( -2.578 -3.013 4.676) 6.131 8.568 ( 5.293 -4.024 21.792) 22.784 9.507 ( -1.157 4.448 -1.807) 4.938 9.687 ( -7.018 9.624 -2.412) 12.153 10.430 ( 6.560 -5.353 -0.209) 8.469 11.185 ( 3.101 -8.744 0.820) 9.314 19.233 ( -14.251 33.757 8.552) 37.627 22.783 ( 18.205 -36.632 4.811) 41.188 26.103 ( -3.989 15.460 -9.080) 18.367 108.066 ( -0.275 1.743 0.194) 1.775 108.255 ( -0.170 -2.255 -0.345) 2.288 ======================= Grid point 1141 (227/285) ======================= q-point: (-0.56 0.19 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 0.522 -1.624 1.562) 2.312 3.312 ( -13.938 18.567 -1.094) 23.242 4.379 ( 0.926 -6.185 -4.738) 7.846 7.215 ( -6.667 5.562 12.263) 15.026 7.342 ( 4.503 -4.100 4.071) 7.325 8.603 ( 3.506 -5.025 20.116) 21.028 9.580 ( 2.519 6.506 -2.231) 7.324 9.667 ( -5.177 8.157 -2.290) 9.929 10.439 ( 1.738 -7.843 -0.727) 8.066 11.155 ( 3.609 -8.045 1.506) 8.945 19.177 ( -27.041 27.970 9.954) 40.157 22.823 ( 25.912 -32.925 3.791) 42.069 26.115 ( -10.174 11.287 -9.355) 17.844 108.064 ( -1.571 1.063 0.248) 1.913 108.257 ( 2.222 -0.936 -0.395) 2.443 ======================= Grid point 1142 (228/285) ======================= q-point: (-0.50 0.19 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -1.974 -2.993 1.128) 3.759 3.196 ( -18.092 14.349 -0.828) 23.107 4.280 ( -4.306 -7.322 -4.884) 9.798 7.168 ( -5.030 7.127 11.872) 14.732 7.418 ( 6.583 -1.914 3.941) 7.908 8.562 ( -2.686 -5.617 15.913) 17.087 9.658 ( -6.836 14.285 -0.030) 15.836 9.749 ( 13.145 -3.909 -0.906) 13.744 10.323 ( -4.795 -9.576 -1.803) 10.860 11.159 ( 3.623 -3.602 2.785) 5.818 18.880 ( -31.962 18.241 9.854) 38.097 22.999 ( 25.375 -23.264 3.387) 34.592 25.972 ( -16.362 6.773 -9.241) 19.975 108.038 ( -2.019 0.454 0.330) 2.096 108.309 ( 4.043 -0.034 -0.341) 4.058 ======================= Grid point 1143 (229/285) ======================= q-point: (-0.44 0.19 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -3.609 -3.251 1.336) 5.038 2.964 ( -20.965 8.127 -0.254) 22.486 4.080 ( -10.457 -5.630 -4.869) 12.835 7.189 ( -3.717 11.526 10.156) 15.806 7.520 ( 7.984 -3.816 3.371) 9.470 8.391 ( -8.803 -6.671 11.346) 15.835 9.689 ( -5.067 12.162 1.090) 13.220 9.949 ( 8.544 -10.618 3.852) 14.163 10.121 ( -0.318 -4.905 -3.928) 6.292 11.206 ( 2.980 0.940 4.018) 5.090 18.446 ( -32.176 9.248 7.997) 34.421 23.219 ( 19.429 -12.361 3.538) 23.298 25.676 ( -21.916 2.358 -8.626) 23.670 108.005 ( -1.981 0.190 0.395) 2.029 108.397 ( 5.698 0.211 -0.115) 5.703 ======================= Grid point 1154 (230/285) ======================= q-point: ( 0.25 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 0.382 3.422 1.964) 3.965 3.363 ( 9.319 16.266 -0.725) 18.761 4.186 ( 2.262 4.256 -4.559) 6.634 7.264 ( 0.572 -3.913 8.004) 8.928 7.429 ( 0.917 -2.039 4.133) 4.699 8.467 ( -0.274 4.822 20.691) 21.248 9.657 ( -8.265 -5.727 -1.195) 10.126 9.862 ( 3.798 5.502 1.050) 6.768 10.181 ( 2.203 3.759 -2.791) 5.174 11.138 ( -1.387 -6.104 2.069) 6.593 19.124 ( 20.652 29.205 7.565) 36.561 22.715 ( -16.019 -23.022 5.222) 28.528 26.033 ( 7.870 15.123 -9.373) 19.455 108.044 ( 1.193 1.836 0.274) 2.207 108.308 ( -2.285 -3.747 -0.251) 4.396 ======================= Grid point 1155 (231/285) ======================= q-point: ( 0.31 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 1.141 1.478 2.881) 3.433 3.618 ( -0.653 17.962 -1.238) 18.016 4.248 ( 3.995 -2.842 -3.982) 6.316 7.233 ( 0.238 -0.901 6.509) 6.576 7.415 ( -1.300 -2.423 4.702) 5.447 8.470 ( 0.439 -2.799 28.762) 28.901 9.569 ( -1.713 3.930 -6.003) 7.376 9.942 ( -4.888 11.770 -0.542) 12.756 10.251 ( 6.194 -4.728 -0.737) 7.827 11.046 ( 0.526 -9.509 0.320) 9.529 19.720 ( 5.383 37.485 7.455) 38.596 22.229 ( -2.298 -35.788 6.076) 36.373 26.260 ( 2.066 11.678 -9.957) 15.485 108.083 ( 0.729 2.097 0.152) 2.226 108.241 ( -1.289 -2.915 -0.258) 3.198 ======================= Grid point 1156 (232/285) ======================= q-point: ( 0.38 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 0.641 -0.295 3.241) 3.317 3.705 ( -9.401 16.350 -1.478) 18.918 4.270 ( 3.867 -6.587 -3.718) 8.496 7.261 ( 2.276 0.848 4.986) 5.546 7.339 ( -3.893 -1.238 6.983) 8.090 8.468 ( 4.230 -4.904 29.914) 30.607 9.607 ( -1.530 6.026 -7.632) 9.843 9.940 ( -8.161 11.792 -0.700) 14.357 10.296 ( 5.132 -7.077 -0.118) 8.743 10.985 ( 4.312 -9.355 -0.189) 10.302 19.968 ( -22.784 36.183 8.190) 43.536 22.014 ( 22.897 -36.942 5.698) 43.834 26.342 ( -4.210 7.724 -10.258) 13.514 108.103 ( -1.090 1.743 0.114) 2.059 108.212 ( 1.185 -1.914 -0.255) 2.265 ======================= Grid point 1158 (233/285) ======================= q-point: (-0.56 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -1.074 -1.300 2.724) 3.204 3.619 ( -15.192 9.483 -1.224) 17.951 4.250 ( 0.571 -5.036 -4.059) 6.493 7.246 ( -1.170 -1.548 6.665) 6.942 7.358 ( 2.259 4.313 6.104) 7.808 8.502 ( 3.555 -4.122 27.093) 27.634 9.613 ( -0.243 -0.280 -6.731) 6.741 9.919 ( -7.467 10.882 0.425) 13.204 10.269 ( 0.498 -7.947 -1.467) 8.097 11.022 ( 7.020 -3.431 0.840) 7.859 19.680 ( -36.746 17.114 8.462) 41.409 22.260 ( 33.199 -18.201 5.263) 38.225 26.267 ( -10.726 3.486 -10.104) 15.143 108.081 ( -2.234 0.541 0.187) 2.306 108.242 ( 3.216 -0.458 -0.291) 3.262 ======================= Grid point 1172 (234/285) ======================= q-point: ( 0.31 0.31 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 0.065 0.325 3.931) 3.945 3.919 ( 6.224 10.806 -1.917) 12.617 4.157 ( -3.265 -5.634 -3.066) 7.198 7.262 ( 0.618 3.037 4.815) 5.726 7.342 ( -0.516 -3.822 4.849) 6.196 8.405 ( -1.891 -2.486 33.571) 33.716 9.683 ( 2.066 4.710 -9.483) 10.788 10.121 ( 5.727 2.753 0.893) 6.416 10.166 ( -4.415 -0.699 -0.156) 4.472 10.876 ( -2.736 -5.428 -1.136) 6.184 20.494 ( 21.321 35.255 7.428) 41.865 21.482 ( -20.778 -34.458 6.549) 40.767 26.420 ( 2.170 3.870 -10.627) 11.516 108.127 ( 1.240 2.080 0.028) 2.422 108.186 ( -1.381 -2.325 -0.160) 2.709 ======================= Grid point 1355 (235/285) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 285 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.000 0.000 2.717) 2.717 1.305 ( -0.000 -0.000 2.717) 2.717 2.367 ( 0.000 -0.000 4.928) 4.928 6.641 ( 0.000 0.000 -1.353) 1.353 6.641 ( 0.000 -0.000 -1.353) 1.353 7.970 ( 0.000 0.000 0.793) 0.793 7.970 ( 0.000 -0.000 0.793) 0.793 10.746 ( -0.000 0.000 0.139) 0.139 11.294 ( 0.000 0.000 -0.466) 0.466 13.103 ( 0.000 0.000 3.563) 3.563 13.103 ( 0.000 -0.000 3.563) 3.563 23.309 ( 0.000 0.000 -0.768) 0.768 23.309 ( 0.000 -0.000 -0.768) 0.768 107.883 ( -0.000 -0.000 0.249) 0.249 109.416 ( -0.000 0.000 -0.126) 0.126 ======================= Grid point 1356 (236/285) ======================= q-point: ( 0.06 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 1.857 1.072 2.791) 3.520 1.566 ( 19.794 11.428 2.201) 22.962 2.317 ( -4.021 -2.322 4.360) 6.370 6.689 ( 2.456 1.418 -4.647) 5.444 6.759 ( 11.397 6.580 1.938) 13.302 7.986 ( 2.536 1.464 3.383) 4.475 8.227 ( 19.000 10.970 -2.073) 22.037 10.573 ( -36.590 -21.125 6.523) 42.751 10.766 ( -6.207 -3.584 -4.759) 8.603 13.015 ( -8.488 -4.900 1.294) 9.886 13.889 ( 50.749 29.300 3.173) 58.685 23.363 ( 5.339 3.083 0.960) 6.239 23.376 ( 4.813 2.779 -2.505) 6.096 107.887 ( 0.270 0.156 0.244) 0.396 109.350 ( -5.345 -3.086 0.087) 6.173 ======================= Grid point 1357 (237/285) ======================= q-point: ( 0.12 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 4.498 2.597 2.129) 5.614 2.098 ( 13.655 7.884 8.802) 18.058 2.238 ( 7.565 4.368 -3.457) 9.395 6.755 ( 3.018 1.742 -6.575) 7.442 7.152 ( 20.694 11.948 3.868) 24.206 8.085 ( 5.675 3.276 4.876) 8.168 8.763 ( 23.282 13.442 -4.916) 27.329 9.664 ( -33.547 -19.368 6.164) 39.224 10.720 ( -0.935 -0.540 -2.123) 2.381 12.709 ( -16.987 -9.808 0.290) 19.617 15.122 ( 50.370 29.081 2.490) 58.215 23.534 ( 8.411 4.856 -3.461) 10.310 23.551 ( 10.154 5.862 1.915) 11.880 107.897 ( 0.588 0.340 0.220) 0.714 109.179 ( -8.666 -5.003 0.434) 10.016 ======================= Grid point 1358 (238/285) ======================= q-point: ( 0.19 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 7.308 4.219 1.046) 8.503 2.031 ( -5.176 -2.989 6.389) 8.749 2.821 ( 27.062 15.624 -1.860) 31.304 6.831 ( 3.355 1.937 -6.869) 7.887 7.684 ( 22.885 13.213 4.897) 26.875 8.244 ( 7.436 4.293 4.894) 9.883 8.850 ( -20.202 -11.664 0.137) 23.327 9.430 ( 16.946 9.784 0.816) 19.584 10.726 ( 1.952 1.127 -1.877) 2.933 12.229 ( -23.015 -13.287 0.986) 26.593 16.212 ( 40.981 23.661 1.962) 47.362 23.766 ( 10.894 6.290 -2.857) 12.900 23.826 ( 12.622 7.287 1.901) 14.698 107.914 ( 0.908 0.524 0.164) 1.061 108.959 ( -9.555 -5.517 0.551) 11.047 ======================= Grid point 1359 (239/285) ======================= q-point: ( 0.25 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 9.268 5.351 0.114) 10.703 1.939 ( -2.210 -1.276 5.588) 6.143 3.422 ( 23.104 13.339 -1.632) 26.728 6.911 ( 3.307 1.909 -5.957) 7.075 8.139 ( 9.767 5.639 2.984) 11.666 8.426 ( 7.682 4.435 3.831) 9.662 8.467 ( -5.714 -3.299 5.604) 8.657 9.813 ( 13.576 7.838 -1.817) 15.781 10.830 ( 6.758 3.902 -1.717) 7.990 11.644 ( -25.680 -14.826 2.898) 29.794 17.057 ( 30.319 17.505 0.682) 35.016 24.037 ( 11.609 6.702 -0.617) 13.419 24.131 ( 12.696 7.330 1.139) 14.705 107.939 ( 1.130 0.653 0.084) 1.308 108.739 ( -8.717 -5.033 0.442) 10.075 ======================= Grid point 1360 (240/285) ======================= q-point: ( 0.31 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 1.720 0.993 4.876) 5.265 1.965 ( 9.559 5.519 -0.387) 11.045 3.900 ( 16.994 9.811 -1.559) 19.684 6.983 ( 2.696 1.556 -4.249) 5.267 8.037 ( -8.227 -4.750 1.674) 9.646 8.598 ( 6.706 3.871 2.287) 8.074 8.651 ( 10.275 5.932 6.856) 13.703 10.097 ( 11.276 6.510 -1.294) 13.085 11.021 ( 8.605 4.968 -1.377) 10.031 11.042 ( -24.419 -14.098 4.927) 28.623 17.657 ( 20.511 11.842 -0.775) 23.697 24.302 ( 10.516 6.071 2.055) 12.315 24.413 ( 10.906 6.297 0.004) 12.593 107.967 ( 1.186 0.685 0.001) 1.370 108.552 ( -6.958 -4.017 0.263) 8.039 ======================= Grid point 1361 (241/285) ======================= q-point: ( 0.38 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 4.074 2.352 3.701) 5.985 2.176 ( 7.894 4.558 -0.556) 9.132 4.226 ( 10.589 6.114 -1.590) 12.330 7.034 ( 1.544 0.891 -1.812) 2.542 7.882 ( -4.786 -2.763 2.021) 5.884 8.737 ( 4.891 2.824 0.743) 5.696 8.812 ( 3.534 2.040 4.959) 6.422 10.364 ( 10.931 6.311 0.021) 12.622 10.519 ( -18.974 -10.955 5.834) 22.673 11.209 ( 6.807 3.930 -0.863) 7.907 18.039 ( 11.906 6.874 -0.922) 13.778 24.525 ( 8.118 4.687 3.545) 10.022 24.638 ( 7.910 4.567 -1.189) 9.211 107.994 ( 1.041 0.601 -0.046) 1.203 108.412 ( -4.811 -2.778 0.100) 5.556 ======================= Grid point 1362 (242/285) ======================= q-point: ( 0.44 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 3.615 2.087 1.853) 4.567 2.326 ( 4.492 2.593 -0.607) 5.222 4.409 ( 5.018 2.897 -1.881) 6.092 7.053 ( 0.030 0.017 1.396) 1.396 7.803 ( -2.001 -1.155 2.099) 3.122 8.827 ( 2.632 1.520 -0.505) 3.081 8.850 ( 0.424 0.245 3.447) 3.481 10.171 ( -9.858 -5.692 4.879) 12.385 10.585 ( 7.076 4.085 0.621) 8.195 11.333 ( 3.508 2.025 -0.245) 4.058 18.232 ( 4.523 2.612 1.104) 5.339 24.681 ( 4.911 2.835 3.032) 6.430 24.783 ( 4.253 2.455 -2.248) 5.401 108.014 ( 0.632 0.365 -0.011) 0.730 108.326 ( -2.471 -1.427 -0.054) 2.854 ======================= Grid point 1363 (243/285) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 1.025 0.592 -0.431) 1.260 2.380 ( 0.025 0.014 -0.647) 0.647 4.470 ( 0.196 0.113 -2.360) 2.371 7.036 ( -1.480 -0.854 4.937) 5.224 7.780 ( 0.015 0.008 2.109) 2.109 8.856 ( 0.338 0.195 2.534) 2.564 8.862 ( 0.351 0.202 -1.411) 1.468 10.066 ( 1.042 0.602 2.596) 2.862 10.676 ( 0.282 0.163 0.225) 0.396 11.371 ( -0.297 -0.171 0.445) 0.561 18.264 ( -1.613 -0.931 4.660) 5.019 24.753 ( 1.033 0.596 0.982) 1.545 24.838 ( 0.322 0.186 -3.098) 3.120 108.021 ( -0.071 -0.041 0.124) 0.149 108.297 ( 0.064 0.037 -0.217) 0.230 ======================= Grid point 1365 (244/285) ======================= q-point: (-0.44 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -1.918 -1.108 -2.491) 3.334 2.327 ( -4.487 -2.591 -0.630) 5.219 4.417 ( -4.805 -2.774 -2.659) 6.153 6.987 ( -2.551 -1.473 7.827) 8.363 7.804 ( 2.039 1.177 2.022) 3.104 8.844 ( -1.845 -1.065 -2.146) 3.024 8.869 ( 0.582 0.336 1.660) 1.791 10.214 ( 11.158 6.442 0.685) 12.902 10.595 ( -6.994 -4.038 -0.363) 8.085 11.319 ( -3.984 -2.300 1.053) 4.719 18.163 ( -6.811 -3.932 7.852) 11.114 24.725 ( -3.513 -2.028 -1.233) 4.239 24.799 ( -3.594 -2.075 -3.744) 5.589 108.011 ( -0.718 -0.414 0.267) 0.871 108.328 ( 2.547 1.470 -0.305) 2.956 ======================= Grid point 1366 (245/285) ======================= q-point: (-0.38 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -3.296 -1.903 -3.503) 5.172 2.176 ( -7.962 -4.597 -0.461) 9.206 4.235 ( -10.713 -6.185 -2.473) 12.615 6.918 ( -3.159 -1.824 9.406) 10.088 7.883 ( 4.720 2.725 1.921) 5.779 8.775 ( -3.949 -2.280 -2.866) 5.385 8.863 ( -1.717 -0.991 -0.010) 1.983 10.363 ( -11.958 -6.904 0.024) 13.807 10.574 ( 18.635 10.759 0.469) 21.523 11.187 ( -7.000 -4.041 1.246) 8.178 17.941 ( -11.967 -6.909 8.698) 16.328 24.584 ( -8.315 -4.801 -2.222) 9.856 24.670 ( -7.225 -4.171 -4.236) 9.357 107.990 ( -1.046 -0.604 0.332) 1.253 108.416 ( 4.812 2.778 -0.235) 5.562 ======================= Grid point 1367 (246/285) ======================= q-point: (-0.31 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -9.612 -5.549 -0.117) 11.099 2.015 ( -2.018 -1.165 -2.849) 3.681 3.903 ( -17.290 -9.982 -1.906) 20.055 6.839 ( -3.476 -2.007 9.713) 10.509 8.032 ( 7.760 4.480 2.147) 9.214 8.660 ( -5.725 -3.306 -3.580) 7.518 8.751 ( -8.286 -4.784 -2.862) 9.987 10.063 ( -12.651 -7.304 1.845) 14.725 10.999 ( -8.461 -4.885 0.779) 9.801 11.071 ( 22.768 13.145 2.001) 26.366 17.585 ( -18.434 -10.643 6.369) 22.218 24.337 ( -12.246 -7.070 -1.376) 14.207 24.461 ( -10.245 -5.915 -4.617) 12.699 107.963 ( -1.145 -0.661 0.333) 1.364 108.555 ( 6.920 3.995 -0.024) 7.991 ======================= Grid point 1368 (247/285) ======================= q-point: (-0.25 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -9.178 -5.299 0.340) 10.603 2.004 ( 1.201 0.693 -0.552) 1.492 3.419 ( -23.338 -13.474 -1.342) 26.982 6.757 ( -3.400 -1.963 9.047) 9.862 8.168 ( -3.207 -1.852 0.334) 3.719 8.508 ( -6.935 -4.004 -4.140) 9.015 8.546 ( -1.576 -0.910 -2.350) 2.972 9.765 ( -13.084 -7.554 2.889) 15.382 10.814 ( -6.486 -3.745 -0.149) 7.491 11.628 ( 23.698 13.682 4.395) 27.715 17.046 ( -27.537 -15.898 1.830) 31.849 24.022 ( -13.759 -7.944 0.736) 15.905 24.192 ( -12.216 -7.053 -4.843) 14.914 107.937 ( -1.077 -0.622 0.301) 1.280 108.741 ( 8.671 5.006 0.257) 10.016 ======================= Grid point 1369 (248/285) ======================= q-point: (-0.19 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -7.085 -4.091 0.852) 8.226 2.069 ( 4.023 2.323 2.839) 5.445 2.814 ( -27.113 -15.654 -1.283) 31.334 6.683 ( -2.702 -1.560 7.600) 8.216 7.783 ( -22.509 -12.996 -4.877) 26.445 8.337 ( -7.305 -4.218 -4.253) 9.447 8.785 ( 12.576 7.261 6.073) 15.740 9.449 ( -9.976 -5.760 -0.588) 11.535 10.715 ( -1.794 -1.036 -0.842) 2.237 12.173 ( 21.768 12.568 6.417) 25.942 16.257 ( -39.335 -22.710 -2.352) 45.481 23.711 ( -12.010 -6.934 2.546) 14.100 23.894 ( -12.583 -7.265 -4.739) 15.283 107.913 ( -0.866 -0.500 0.269) 1.035 108.959 ( 9.520 5.496 0.462) 11.002 ======================= Grid point 1370 (249/285) ======================= q-point: (-0.12 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 753 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -4.373 -2.525 1.441) 5.251 2.096 ( -16.367 -9.450 8.324) 20.651 2.247 ( -5.632 -3.252 -3.656) 7.461 6.633 ( -1.389 -0.802 5.361) 5.595 7.245 ( -21.414 -12.363 -5.312) 25.291 8.171 ( -6.530 -3.770 -3.557) 8.337 8.654 ( -19.960 -11.524 5.954) 23.804 9.726 ( 30.487 17.602 0.073) 35.204 10.712 ( 1.050 0.606 -1.424) 1.870 12.640 ( 17.172 9.915 7.033) 21.039 15.183 ( -50.581 -29.203 -3.470) 58.509 23.472 ( -7.928 -4.577 2.664) 9.534 23.612 ( -10.808 -6.240 -4.051) 13.121 107.896 ( -0.567 -0.328 0.252) 0.702 109.179 ( 8.648 4.993 0.407) 9.994 ======================= Grid point 1371 (250/285) ======================= q-point: (-0.06 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 752 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -2.032 -1.173 2.129) 3.169 1.559 ( -19.624 -11.330 2.834) 22.837 2.319 ( 3.715 2.145 4.115) 5.944 6.619 ( 0.193 0.112 2.281) 2.292 6.822 ( -13.342 -7.703 -4.314) 15.998 8.038 ( -4.434 -2.560 -1.810) 5.431 8.174 ( -16.960 -9.792 3.140) 19.834 10.593 ( 35.603 20.556 5.255) 41.446 10.758 ( 6.158 3.555 -4.709) 8.529 12.967 ( 10.084 5.822 5.894) 13.050 13.930 ( -52.049 -30.051 -0.824) 60.107 23.338 ( -3.365 -1.943 1.197) 4.066 23.400 ( -6.697 -3.867 -2.647) 8.174 107.886 ( -0.265 -0.153 0.248) 0.394 109.350 ( 5.341 3.084 0.084) 6.168 ======================= Grid point 1373 (251/285) ======================= q-point: ( 0.06 0.06 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 3.405 6.613 1.986) 7.699 1.939 ( 13.544 22.747 3.987) 26.772 2.242 ( -2.642 -3.684 1.514) 4.780 6.709 ( 7.407 1.890 0.508) 7.661 7.032 ( 5.025 17.817 -2.124) 18.633 8.100 ( 0.920 8.256 1.376) 8.420 8.570 ( 16.697 21.227 -0.258) 27.008 9.911 ( -22.701 -35.512 3.420) 42.287 10.722 ( -0.603 -1.653 -2.013) 2.673 12.778 ( -6.280 -16.492 3.735) 18.038 14.827 ( 28.100 53.592 -0.343) 60.513 23.425 ( 4.171 4.598 0.881) 6.270 23.547 ( 5.436 11.876 -2.343) 13.270 107.893 ( 0.293 0.489 0.239) 0.618 109.232 ( -4.638 -8.018 0.346) 9.269 ======================= Grid point 1374 (252/285) ======================= q-point: ( 0.12 0.06 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 2.881 13.258 1.400) 13.640 2.079 ( -4.217 -4.178 6.662) 8.923 2.541 ( 22.067 19.478 -2.387) 29.530 6.853 ( 2.727 7.194 -4.398) 8.862 7.388 ( 17.748 10.943 3.320) 21.113 8.228 ( 2.663 8.148 3.172) 9.140 9.058 ( 3.388 12.119 -4.487) 13.359 9.272 ( -5.275 -12.913 5.966) 15.171 10.704 ( 0.456 -0.856 -1.768) 2.017 12.405 ( -14.710 -18.702 2.098) 23.886 15.872 ( 32.707 40.435 0.866) 52.014 23.567 ( 7.885 1.733 0.020) 8.073 23.829 ( 8.878 17.249 -1.382) 19.449 107.907 ( 0.615 0.699 0.204) 0.953 109.039 ( -7.176 -8.266 0.528) 10.959 ======================= Grid point 1375 (253/285) ======================= q-point: ( 0.19 0.06 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 2.196 17.309 0.514) 17.455 1.971 ( -3.299 -2.295 5.331) 6.676 3.139 ( 23.833 15.057 -1.729) 28.244 6.956 ( -0.589 9.523 -5.762) 11.146 7.837 ( 23.195 3.113 5.816) 24.115 8.265 ( -2.463 -7.036 2.444) 7.846 8.832 ( -12.833 13.826 3.384) 19.165 9.610 ( 17.596 7.067 -1.445) 19.017 10.735 ( 4.181 -0.902 -1.659) 4.588 11.899 ( -20.244 -17.563 2.535) 26.920 16.778 ( 28.028 29.999 0.967) 41.067 23.732 ( 11.646 -3.758 0.435) 12.245 24.193 ( 8.802 21.811 -0.908) 23.537 107.929 ( 0.888 0.890 0.139) 1.264 108.823 ( -7.663 -7.362 0.484) 10.637 ======================= Grid point 1376 (254/285) ======================= q-point: ( 0.25 0.06 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 0.454 0.542 4.206) 4.265 2.011 ( 1.398 18.790 0.421) 18.846 3.668 ( 20.320 10.517 -1.634) 22.939 7.033 ( -1.587 9.289 -4.960) 10.649 8.053 ( -3.749 -14.789 2.708) 15.495 8.245 ( 18.329 1.557 4.988) 19.059 8.901 ( -5.635 22.716 4.233) 23.784 9.935 ( 13.347 4.219 -1.676) 14.098 10.798 ( 5.856 -9.860 -0.557) 11.482 11.387 ( -19.419 -7.230 3.131) 20.957 17.479 ( 20.142 23.265 -0.062) 30.773 23.895 ( 14.915 -10.986 1.577) 18.591 24.568 ( 5.936 24.757 -0.509) 25.464 107.956 ( 1.019 1.020 0.057) 1.443 108.625 ( -6.783 -5.904 0.321) 8.998 ======================= Grid point 1377 (255/285) ======================= q-point: ( 0.31 0.06 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 3.282 1.829 3.904) 5.418 2.231 ( 0.660 19.141 -0.327) 19.155 4.066 ( 14.538 6.363 -1.585) 15.949 7.089 ( -2.193 8.134 -3.079) 8.970 7.864 ( -2.066 -11.087 2.224) 11.495 8.536 ( 13.096 0.488 4.047) 13.715 9.004 ( -6.675 17.196 3.330) 18.744 10.200 ( 12.150 2.975 -0.043) 12.509 10.587 ( -7.983 -22.250 3.677) 23.923 11.221 ( -1.581 7.188 0.048) 7.360 17.975 ( 11.179 19.247 -0.889) 22.275 24.032 ( 17.447 -18.547 2.455) 25.582 24.896 ( 1.354 25.939 -0.323) 25.976 107.985 ( 0.952 1.074 -0.014) 1.435 108.465 ( -5.168 -4.311 0.156) 6.732 ======================= Grid point 1378 (256/285) ======================= q-point: ( 0.38 0.06 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 4.221 2.163 2.645) 5.431 2.412 ( -1.779 17.414 -0.474) 17.511 4.317 ( 8.619 2.804 -1.703) 9.222 7.120 ( -3.087 6.905 -0.289) 7.569 7.751 ( 0.770 -9.077 2.005) 9.328 8.728 ( 7.451 1.573 2.980) 8.177 9.020 ( -8.045 12.328 1.703) 14.819 10.179 ( -5.485 -18.535 5.659) 20.140 10.479 ( 8.744 3.000 -0.141) 9.245 11.306 ( 2.728 3.727 -0.393) 4.636 18.276 ( 2.229 16.473 -0.052) 16.623 24.133 ( 18.982 -24.896 2.273) 31.389 25.139 ( -3.990 25.499 -0.662) 25.818 108.010 ( 0.638 1.024 -0.032) 1.207 108.354 ( -3.172 -2.789 0.015) 4.224 ======================= Grid point 1379 (257/285) ======================= q-point: ( 0.44 0.06 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 2.647 0.925 0.754) 2.903 2.515 ( -5.595 14.932 -0.542) 15.955 4.437 ( 3.503 -0.177 -2.062) 4.068 7.119 ( -4.442 5.929 3.175) 8.060 7.700 ( 3.199 -7.921 1.888) 8.749 8.836 ( 2.807 1.505 2.944) 4.337 8.994 ( -7.496 10.833 -0.290) 13.177 9.976 ( 1.698 -12.046 3.615) 12.691 10.626 ( 4.978 -0.412 0.229) 5.000 11.366 ( 1.329 0.383 0.169) 1.393 18.399 ( -5.703 13.749 2.725) 15.133 24.195 ( 18.996 -28.880 0.939) 34.581 25.272 ( -9.448 23.605 -1.566) 25.474 108.026 ( -0.004 0.776 0.048) 0.778 108.297 ( -0.847 -1.318 -0.133) 1.573 ======================= Grid point 1380 (258/285) ======================= q-point: (-0.50 0.06 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -0.242 -1.010 -1.295) 1.660 2.515 ( -10.080 12.349 -0.593) 15.951 4.441 ( -1.266 -2.996 -2.454) 4.074 7.085 ( -5.749 5.228 6.485) 10.121 7.701 ( 5.339 -6.618 1.785) 8.688 8.844 ( -2.013 -1.264 2.229) 3.259 9.003 ( -4.884 12.298 -1.149) 13.282 10.003 ( 11.611 -6.058 1.043) 13.138 10.630 ( -1.834 -4.608 -0.152) 4.962 11.357 ( -1.594 -1.474 0.993) 2.387 18.364 ( -11.973 10.414 6.151) 17.019 24.213 ( 16.951 -30.056 -0.841) 34.517 25.284 ( -14.662 20.403 -2.715) 25.271 108.024 ( -0.792 0.332 0.195) 0.881 108.299 ( 1.676 0.129 -0.267) 1.702 ======================= Grid point 1381 (259/285) ======================= q-point: (-0.44 0.06 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -2.558 -2.523 -2.713) 4.502 2.414 ( -14.191 10.274 -0.573) 17.530 4.325 ( -6.642 -6.145 -2.526) 9.395 7.027 ( -6.544 5.118 8.662) 12.002 7.756 ( 7.512 -4.823 1.553) 9.061 8.756 ( -4.034 -5.086 0.242) 6.496 9.048 ( -5.518 13.459 -0.989) 14.580 10.246 ( 19.877 -3.075 -0.687) 20.125 10.473 ( -8.020 -7.520 0.147) 10.995 11.285 ( -4.767 -0.920 1.664) 5.132 18.192 ( -16.853 6.230 8.184) 19.744 24.177 ( 12.773 -28.570 -2.086) 31.365 25.169 ( -19.333 16.139 -3.603) 25.440 108.007 ( -1.256 -0.038 0.295) 1.291 108.358 ( 4.043 1.349 -0.278) 4.272 ======================= Grid point 1382 (260/285) ======================= q-point: (-0.38 0.06 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -2.780 -2.765 -2.692) 4.756 2.233 ( -16.816 9.031 -0.475) 19.093 4.071 ( -12.951 -9.609 -2.167) 16.272 6.960 ( -7.204 5.759 9.403) 13.171 7.873 ( 10.312 -2.889 1.335) 10.791 8.592 ( -5.546 -10.716 -1.385) 12.146 9.061 ( -9.800 14.499 -2.113) 17.627 10.192 ( -11.433 -9.479 0.539) 14.861 10.620 ( 23.001 -5.479 0.322) 23.647 11.202 ( -4.744 5.189 2.070) 7.329 17.890 ( -21.603 1.245 7.420) 22.876 24.079 ( 7.067 -24.795 -2.199) 25.876 24.932 ( -22.894 11.256 -3.854) 25.801 107.981 ( -1.401 -0.239 0.320) 1.457 108.469 ( 6.310 2.277 -0.137) 6.709 ======================= Grid point 1383 (261/285) ======================= q-point: (-0.31 0.06 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -6.142 0.780 -0.175) 6.193 2.030 ( -11.711 5.871 -1.071) 13.144 3.668 ( -19.521 -12.483 -1.634) 23.229 6.890 ( -7.915 6.819 8.927) 13.742 8.065 ( 13.375 -1.187 1.481) 13.509 8.327 ( -8.279 -17.326 -2.949) 19.428 8.982 ( -16.128 15.584 -3.615) 22.716 9.889 ( -11.207 -9.878 2.721) 15.185 10.792 ( 4.221 -9.693 -0.044) 10.572 11.385 ( 15.923 12.443 3.388) 20.490 17.438 ( -28.066 -4.191 4.053) 28.665 23.924 ( 0.995 -19.088 -1.194) 19.151 24.598 ( -24.390 6.350 -3.538) 25.450 107.954 ( -1.363 -0.309 0.300) 1.430 108.627 ( 8.477 2.867 0.113) 8.949 ======================= Grid point 1384 (262/285) ======================= q-point: (-0.25 0.06 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -15.738 6.667 0.778) 17.109 2.014 ( 2.900 0.201 1.234) 3.158 3.134 ( -25.125 -13.074 -1.307) 28.353 6.821 ( -8.241 7.756 7.457) 13.553 7.936 ( -14.349 -18.762 -3.862) 23.934 8.286 ( 10.278 -2.751 0.595) 10.657 8.879 ( -9.875 16.750 -1.500) 19.502 9.573 ( -12.906 -10.987 2.269) 17.101 10.725 ( -1.341 -3.670 -0.726) 3.974 11.873 ( 23.724 9.184 5.036) 25.933 16.788 ( -37.801 -9.026 -0.017) 38.863 23.734 ( -3.925 -11.965 0.320) 12.596 24.215 ( -22.994 2.082 -3.138) 23.300 107.928 ( -1.185 -0.267 0.266) 1.244 108.824 ( 10.182 2.906 0.376) 10.595 ======================= Grid point 1385 (263/285) ======================= q-point: (-0.19 0.06 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -12.702 3.966 1.188) 13.359 2.096 ( 5.199 0.115 5.236) 7.380 2.537 ( -27.886 -9.045 -2.060) 29.388 6.758 ( -7.611 7.638 4.841) 11.820 7.462 ( -18.383 -14.437 -3.983) 23.712 8.273 ( -6.865 -2.206 -1.059) 7.288 8.962 ( -13.394 8.005 4.995) 16.384 9.346 ( 13.864 -4.756 -1.402) 14.724 10.698 ( 0.517 -0.357 -1.270) 1.417 12.370 ( 22.505 6.232 5.480) 23.986 15.902 ( -50.289 -10.522 -2.052) 51.419 23.554 ( -6.340 -4.626 1.254) 7.948 23.844 ( -18.878 -0.722 -2.879) 19.110 107.907 ( -0.898 -0.144 0.244) 0.942 109.039 ( 10.734 2.049 0.495) 10.939 ======================= Grid point 1390 (264/285) ======================= q-point: ( 0.12 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 8.131 13.748 1.086) 16.010 2.006 ( -2.148 -1.124 3.497) 4.256 2.975 ( 13.156 22.410 -1.693) 26.042 6.997 ( 9.459 5.854 1.046) 11.173 7.643 ( 3.206 14.391 0.653) 14.758 8.263 ( -4.184 -6.265 1.573) 7.697 9.106 ( 0.804 5.845 1.116) 6.005 9.405 ( 9.726 12.875 0.093) 16.136 10.688 ( -0.164 -0.806 -1.312) 1.548 11.981 ( -11.536 -21.694 3.913) 24.880 16.687 ( 21.203 37.662 0.114) 43.221 23.606 ( 1.070 1.965 0.650) 2.330 24.231 ( 11.739 21.358 -2.207) 24.471 107.925 ( 0.646 1.053 0.206) 1.253 108.855 ( -5.408 -9.311 0.455) 10.777 ======================= Grid point 1391 (265/285) ======================= q-point: ( 0.19 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -1.079 -0.437 3.141) 3.350 2.206 ( 3.758 21.524 0.538) 21.856 3.442 ( 17.170 14.575 -1.774) 22.591 7.172 ( 0.890 10.054 -2.929) 10.509 7.840 ( 7.449 -4.345 5.455) 10.204 8.125 ( 0.533 -0.924 1.624) 1.943 9.240 ( -4.674 22.139 2.907) 22.813 9.709 ( 15.042 2.662 -1.515) 15.351 10.649 ( -0.388 -8.524 -0.805) 8.570 11.567 ( -12.558 -13.320 3.346) 18.609 17.404 ( 19.715 30.427 0.723) 36.263 23.630 ( 3.989 -6.326 1.295) 7.591 24.670 ( 10.655 23.884 -1.908) 26.222 107.951 ( 0.878 1.235 0.141) 1.522 108.667 ( -5.658 -7.600 0.310) 9.480 ======================= Grid point 1392 (266/285) ======================= q-point: ( 0.25 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 1.660 1.695 3.031) 3.849 2.475 ( -0.242 24.348 0.011) 24.349 3.859 ( 15.980 8.193 -1.715) 18.040 7.251 ( -3.534 10.726 -3.508) 11.826 7.755 ( -0.482 -13.314 3.606) 13.802 8.333 ( 12.615 6.595 4.591) 14.957 9.336 ( -8.700 19.232 3.026) 21.324 9.996 ( 13.996 1.820 -0.641) 14.128 10.450 ( -4.345 -20.727 1.267) 21.216 11.331 ( -5.456 -0.958 1.488) 5.736 18.002 ( 13.835 27.489 0.124) 30.774 23.619 ( 7.712 -15.930 2.368) 17.857 25.079 ( 7.049 24.294 -1.626) 25.348 107.981 ( 0.936 1.380 0.063) 1.669 108.504 ( -4.872 -5.727 0.156) 7.521 ======================= Grid point 1393 (267/285) ======================= q-point: ( 0.31 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 3.566 2.519 2.591) 5.077 2.692 ( -3.631 24.311 -0.247) 24.582 4.165 ( 11.657 3.423 -1.671) 12.263 7.279 ( -4.530 9.122 -1.644) 10.317 7.630 ( 0.644 -10.747 2.392) 11.029 8.606 ( 10.037 5.899 4.982) 12.663 9.337 ( -10.587 15.338 1.917) 18.735 10.049 ( -3.723 -19.418 5.149) 20.431 10.323 ( 10.263 -1.090 -1.450) 10.422 11.300 ( 0.622 0.196 -0.078) 0.657 18.451 ( 4.798 27.011 -0.101) 27.434 23.584 ( 12.325 -25.035 2.972) 28.062 25.405 ( 2.024 23.071 -1.628) 23.216 108.011 ( 0.759 1.476 0.004) 1.660 108.379 ( -3.483 -4.018 0.040) 5.318 ======================= Grid point 1394 (268/285) ======================= q-point: ( 0.38 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 3.274 1.652 1.550) 3.981 2.837 ( -7.361 22.629 -0.357) 23.799 4.344 ( 6.660 -0.153 -1.789) 6.897 7.283 ( -4.768 7.847 1.444) 9.295 7.555 ( 2.202 -9.032 1.658) 9.444 8.797 ( 4.951 4.822 5.038) 8.552 9.295 ( -10.611 14.244 0.710) 17.777 9.801 ( -0.181 -17.015 3.483) 17.368 10.497 ( 8.399 -1.368 -0.258) 8.514 11.320 ( 2.553 -2.800 -0.185) 3.794 18.718 ( -5.714 26.412 1.288) 27.054 23.554 ( 17.079 -31.360 2.406) 35.790 25.617 ( -3.662 20.665 -2.092) 21.091 108.036 ( 0.236 1.443 0.009) 1.462 108.299 ( -1.630 -2.547 -0.062) 3.025 ======================= Grid point 1395 (269/285) ======================= q-point: ( 0.44 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 1.056 -0.208 0.044) 1.077 2.889 ( -11.627 20.210 -0.430) 23.320 4.403 ( 1.933 -3.082 -2.050) 4.176 7.266 ( -6.084 7.434 4.720) 10.703 7.527 ( 4.668 -8.002 1.510) 9.386 8.871 ( -0.758 2.014 4.949) 5.396 9.275 ( -8.466 15.627 -0.657) 17.785 9.725 ( 8.167 -11.429 0.743) 14.067 10.568 ( 3.018 -5.116 -0.151) 5.942 11.323 ( 2.110 -4.765 0.660) 5.253 18.787 ( -15.276 23.545 4.041) 28.356 23.553 ( 20.114 -33.098 0.832) 38.740 25.695 ( -9.546 17.378 -2.880) 20.036 108.045 ( -0.696 1.074 0.109) 1.285 108.272 ( 0.723 -1.131 -0.186) 1.355 ======================= Grid point 1397 (270/285) ======================= q-point: (-0.50 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -1.640 -1.997 -1.341) 2.911 2.838 ( -15.879 17.702 -0.457) 23.785 4.349 ( -2.999 -5.904 -2.248) 6.993 7.222 ( -7.030 7.333 7.266) 12.489 7.559 ( 7.124 -6.317 1.300) 9.610 8.813 ( -5.773 -1.447 3.306) 6.808 9.312 ( -6.546 16.719 -0.948) 17.980 9.852 ( 16.838 -7.820 -1.193) 18.604 10.495 ( -3.422 -8.276 -0.213) 8.958 11.300 ( 0.620 -4.103 1.772) 4.512 18.666 ( -22.083 17.921 6.441) 29.160 23.585 ( 19.712 -30.104 -0.678) 35.990 25.633 ( -15.310 13.455 -3.621) 20.702 108.033 ( -1.443 0.514 0.222) 1.548 108.301 ( 3.088 0.141 -0.257) 3.102 ======================= Grid point 1398 (271/285) ======================= q-point: (-0.44 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -3.050 -2.811 -1.851) 4.542 2.693 ( -19.235 15.279 -0.359) 24.567 4.170 ( -8.781 -8.580 -2.182) 12.470 7.176 ( -7.376 8.642 8.382) 14.119 7.647 ( 9.405 -5.106 0.739) 10.728 8.643 ( -9.143 -5.668 1.319) 10.838 9.368 ( -6.862 16.785 -1.113) 18.168 10.132 ( 20.889 -6.630 -2.482) 22.056 10.288 ( -7.523 -10.623 1.430) 13.095 11.274 ( -0.327 -0.335 2.472) 2.516 18.380 ( -26.350 10.756 6.799) 29.262 23.626 ( 15.756 -23.788 -1.170) 28.557 25.429 ( -20.532 9.216 -3.933) 22.847 108.008 ( -1.679 0.141 0.267) 1.706 108.382 ( 5.237 0.953 -0.195) 5.327 ======================= Grid point 1399 (272/285) ======================= q-point: (-0.38 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -2.084 -2.388 -0.979) 3.317 2.476 ( -20.896 12.330 -0.105) 24.263 3.860 ( -15.217 -9.896 -1.907) 18.252 7.135 ( -8.320 10.440 7.828) 15.476 7.788 ( 12.155 -5.165 0.221) 13.209 8.379 ( -11.500 -9.085 0.094) 14.656 9.391 ( -10.766 16.829 -2.268) 20.106 9.972 ( -11.187 -12.252 1.526) 16.661 10.465 ( 19.840 -7.285 -0.200) 21.136 11.317 ( 4.206 4.683 2.951) 6.952 17.954 ( -29.973 3.921 4.849) 30.615 23.649 ( 9.590 -15.866 -0.622) 18.549 25.100 ( -24.464 5.116 -3.654) 25.259 107.979 ( -1.657 -0.033 0.259) 1.677 108.506 ( 7.388 1.279 -0.015) 7.498 ======================= Grid point 1400 (273/285) ======================= q-point: (-0.31 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 0.535 -1.218 1.148) 1.757 2.209 ( -20.168 7.182 0.267) 21.410 3.440 ( -21.329 -7.511 -1.668) 22.675 7.086 ( -9.531 10.365 5.536) 15.130 7.904 ( 2.592 -12.182 -0.912) 12.488 8.131 ( -1.498 -1.877 1.126) 2.652 9.297 ( -17.307 12.636 -2.765) 21.606 9.664 ( -9.468 -10.380 2.962) 14.358 10.647 ( 7.128 -3.767 -0.685) 8.091 11.562 ( 17.609 4.585 3.870) 18.603 17.392 ( -35.237 -0.631 1.910) 35.294 23.640 ( 3.061 -7.629 0.266) 8.225 24.680 ( -26.046 1.691 -2.965) 26.268 107.950 ( -1.498 -0.057 0.230) 1.516 108.668 ( 9.400 1.026 0.234) 9.459 ======================= Grid point 1408 (274/285) ======================= q-point: ( 0.19 0.19 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -0.038 2.144 1.204) 2.459 2.628 ( 10.756 18.725 0.194) 21.596 3.738 ( 8.147 14.159 -1.875) 16.443 7.321 ( 7.616 4.072 2.007) 8.866 7.688 ( -7.284 -7.963 1.739) 10.932 8.263 ( 5.349 11.946 2.693) 13.363 9.679 ( -4.832 19.906 1.888) 20.571 9.728 ( 15.125 -0.480 -1.038) 15.168 10.380 ( -10.040 -16.646 0.061) 19.440 11.372 ( -3.205 -6.369 2.576) 7.581 18.013 ( 17.950 28.659 2.119) 33.883 23.471 ( -6.203 -9.120 1.204) 11.095 25.146 ( 12.057 21.933 -2.858) 25.191 107.979 ( 0.921 1.492 0.165) 1.761 108.519 ( -3.932 -6.721 0.094) 7.787 ======================= Grid point 1409 (275/285) ======================= q-point: ( 0.25 0.19 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 1.931 3.195 1.530) 4.035 2.960 ( 2.938 22.029 -0.052) 22.224 4.008 ( 9.869 6.401 -1.799) 11.900 7.427 ( -1.737 5.708 -1.463) 6.143 7.519 ( -0.703 -9.427 3.572) 10.106 8.520 ( 8.788 11.486 5.528) 15.482 9.678 ( -9.642 13.657 1.845) 16.819 9.949 ( -3.529 -12.723 3.894) 13.765 10.104 ( 9.165 -5.096 -3.246) 10.977 11.285 ( -1.310 -4.030 0.939) 4.340 18.600 ( 13.218 30.384 1.381) 33.163 23.242 ( -1.873 -20.560 2.372) 20.781 25.542 ( 7.660 20.337 -2.738) 21.904 108.012 ( 0.942 1.662 0.088) 1.913 108.394 ( -3.302 -4.911 0.001) 5.918 ======================= Grid point 1410 (276/285) ======================= q-point: ( 0.31 0.19 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 2.688 2.650 1.531) 4.073 3.183 ( -3.646 22.732 -0.242) 23.024 4.208 ( 8.235 0.709 -1.678) 8.434 7.389 ( -1.731 -1.747 1.656) 2.965 7.477 ( -0.667 -1.181 0.595) 1.481 8.771 ( 6.183 9.871 8.147) 14.214 9.602 ( -9.079 0.165 3.536) 9.745 9.700 ( -5.837 -2.377 -1.158) 6.408 10.306 ( 10.910 -1.810 -0.756) 11.085 11.230 ( 1.278 -6.701 -0.153) 6.824 19.078 ( 2.514 33.753 1.174) 33.866 23.007 ( 6.060 -31.049 2.952) 31.772 25.826 ( 2.205 17.612 -2.858) 17.978 108.045 ( 0.656 1.813 0.031) 1.928 108.302 ( -2.138 -3.457 -0.047) 4.065 ======================= Grid point 1411 (277/285) ======================= q-point: ( 0.38 0.19 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 1.600 1.008 0.958) 2.120 3.296 ( -9.074 21.283 -0.357) 23.139 4.311 ( 4.716 -3.056 -1.680) 5.866 7.371 ( 1.900 -2.122 2.959) 4.107 7.436 ( -3.145 0.107 1.123) 3.341 8.918 ( 0.534 6.387 10.997) 12.729 9.470 ( 0.965 -6.752 -1.223) 6.929 9.643 ( -8.275 11.720 -1.546) 14.430 10.426 ( 6.587 -5.332 -0.165) 8.476 11.193 ( 3.764 -9.062 -0.053) 9.813 19.346 ( -12.359 34.165 2.472) 36.416 22.855 ( 16.653 -36.257 2.257) 39.962 25.976 ( -3.776 14.209 -3.254) 15.058 108.068 ( -0.219 1.726 0.044) 1.740 108.250 ( -0.270 -2.238 -0.104) 2.257 ======================= Grid point 1412 (278/285) ======================= q-point: (-0.56 0.19 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -0.727 -0.780 0.061) 1.068 3.297 ( -13.844 18.519 -0.410) 23.125 4.312 ( 0.413 -5.623 -1.801) 5.918 7.378 ( -2.566 -0.443 3.045) 4.007 7.406 ( 2.869 0.044 3.262) 4.344 8.923 ( -5.171 2.810 10.061) 11.656 9.508 ( 8.896 -3.687 -4.476) 10.619 9.634 ( -6.984 13.156 -0.673) 14.910 10.427 ( 1.289 -8.235 -0.351) 8.343 11.182 ( 5.066 -8.181 1.037) 9.678 19.326 ( -25.235 27.322 4.490) 37.463 22.870 ( 24.276 -32.123 0.840) 40.273 25.981 ( -9.948 10.413 -3.704) 14.870 108.068 ( -1.461 1.035 0.132) 1.796 108.251 ( 2.144 -0.868 -0.186) 2.320 ======================= Grid point 1413 (279/285) ======================= q-point: (-0.50 0.19 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -2.868 -1.830 -0.529) 3.443 3.185 ( -17.851 14.499 -0.344) 23.000 4.210 ( -4.654 -6.909 -1.916) 8.548 7.347 ( -2.634 3.702 5.816) 7.381 7.470 ( 5.007 -1.626 1.300) 5.422 8.790 ( -10.757 -0.820 6.000) 12.344 9.654 ( -6.062 15.804 -0.698) 16.941 9.709 ( 17.210 -5.663 -2.512) 18.291 10.300 ( -4.865 -10.400 -0.345) 11.487 11.208 ( 4.917 -3.965 1.950) 6.611 19.036 ( -31.409 16.055 5.249) 35.663 23.035 ( 24.336 -21.557 0.187) 32.511 25.837 ( -15.969 6.471 -3.893) 17.665 108.043 ( -1.928 0.398 0.186) 1.977 108.304 ( 4.088 0.069 -0.189) 4.093 ======================= Grid point 1414 (280/285) ======================= q-point: (-0.44 0.19 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -3.418 -1.795 -0.201) 3.866 2.961 ( -20.551 8.410 -0.110) 22.205 4.009 ( -10.485 -5.493 -1.939) 11.994 7.352 ( -4.206 7.829 6.027) 10.738 7.554 ( 8.149 -4.060 -0.007) 9.104 8.541 ( -13.867 -3.611 3.407) 14.729 9.699 ( -5.748 13.922 -0.243) 15.064 10.020 ( 21.371 -5.042 0.660) 21.968 10.045 ( -10.246 -10.512 -1.115) 14.722 11.272 ( 4.298 0.226 2.200) 4.833 18.571 ( -32.977 6.351 4.135) 33.837 23.261 ( 18.732 -10.315 0.573) 21.392 25.551 ( -21.292 2.693 -3.602) 21.762 108.011 ( -1.916 0.113 0.189) 1.928 108.395 ( 5.907 0.317 -0.088) 5.916 ======================= Grid point 1425 (281/285) ======================= q-point: ( 0.25 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 1.281 3.410 0.674) 3.704 3.354 ( 9.135 15.904 -0.231) 18.342 4.121 ( 2.570 4.546 -1.736) 5.503 7.373 ( -2.055 -4.620 2.846) 5.802 7.482 ( 1.090 0.016 1.215) 1.632 8.776 ( 6.361 12.236 8.808) 16.364 9.629 ( -10.083 -13.798 -1.183) 17.130 9.878 ( 2.836 5.318 0.471) 6.045 10.137 ( 3.209 4.749 -1.341) 5.886 11.170 ( -3.061 -6.672 0.908) 7.397 19.232 ( 19.003 30.496 2.903) 36.049 22.787 ( -14.416 -23.247 1.876) 27.418 25.900 ( 7.930 14.304 -3.562) 16.739 108.048 ( 1.091 1.803 0.106) 2.110 108.304 ( -2.260 -3.834 -0.101) 4.452 ======================= Grid point 1426 (282/285) ======================= q-point: ( 0.31 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 1.312 1.986 1.115) 2.629 3.601 ( -0.786 17.572 -0.404) 17.594 4.192 ( 4.101 -2.269 -1.478) 4.914 7.320 ( 0.160 -1.871 2.311) 2.978 7.474 ( -1.012 -1.738 1.038) 2.263 8.963 ( 2.327 6.581 18.500) 19.773 9.411 ( -2.666 -5.109 -8.856) 10.565 9.931 ( -6.459 12.450 -0.461) 14.033 10.241 ( 7.576 -4.288 -0.180) 8.707 11.047 ( -0.194 -10.278 -0.196) 10.281 19.820 ( 5.266 38.012 2.282) 38.443 22.318 ( -2.106 -35.689 2.635) 35.848 26.120 ( 2.146 10.869 -3.690) 11.677 108.085 ( 0.680 2.040 0.039) 2.151 108.237 ( -1.280 -2.889 -0.081) 3.161 ======================= Grid point 1427 (283/285) ======================= q-point: ( 0.38 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -0.017 0.384 0.979) 1.052 3.685 ( -9.195 15.965 -0.524) 18.431 4.218 ( 3.445 -5.943 -1.374) 7.005 7.325 ( 0.955 -0.603 1.589) 1.950 7.435 ( -0.331 -1.490 2.487) 2.918 9.003 ( -0.454 0.933 22.833) 22.856 9.392 ( 0.275 1.292 -14.196) 14.258 9.929 ( -7.994 13.194 -0.336) 15.431 10.294 ( 4.315 -6.905 -0.053) 8.143 10.982 ( 5.427 -10.152 -0.103) 11.512 20.083 ( -21.468 35.966 3.062) 41.998 22.093 ( 21.656 -36.506 2.096) 42.498 26.196 ( -4.029 7.145 -3.894) 9.080 108.104 ( -1.003 1.682 0.046) 1.959 108.208 ( 1.094 -1.841 -0.099) 2.144 ======================= Grid point 1429 (284/285) ======================= q-point: (-0.56 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -2.042 -0.598 0.624) 2.217 3.602 ( -14.803 9.431 -0.450) 17.558 4.193 ( -0.053 -4.730 -1.521) 4.969 7.326 ( 1.315 -1.579 1.723) 2.682 7.453 ( 1.419 1.704 3.067) 3.785 8.966 ( -6.541 1.025 17.506) 18.716 9.433 ( 6.775 -2.117 -10.425) 12.612 9.925 ( -7.374 11.950 0.234) 14.044 10.246 ( -0.373 -8.677 -0.726) 8.715 11.038 ( 8.653 -4.285 0.685) 9.680 19.805 ( -36.139 15.570 3.713) 39.525 22.329 ( 32.344 -16.866 1.509) 36.508 26.122 ( -10.325 3.359 -3.928) 11.547 108.084 ( -2.127 0.479 0.094) 2.182 108.238 ( 3.160 -0.381 -0.133) 3.186 ======================= Grid point 1443 (285/285) ======================= q-point: ( 0.31 0.31 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 0.349 0.697 1.192) 1.424 3.893 ( 5.923 10.277 -0.690) 11.882 4.114 ( -2.890 -5.006 -1.129) 5.890 7.328 ( 0.921 2.171 1.713) 2.915 7.410 ( -1.580 -3.596 1.798) 4.320 8.998 ( -0.612 -0.990 25.202) 25.228 9.430 ( 1.636 3.344 -16.132) 16.556 10.133 ( 4.253 3.992 0.313) 5.841 10.163 ( -2.176 -0.388 -0.086) 2.212 10.858 ( -3.503 -6.353 -0.523) 7.274 20.599 ( 20.656 35.158 2.771) 40.871 21.574 ( -20.087 -34.228 2.421) 39.761 26.269 ( 2.077 3.639 -4.040) 5.821 108.127 ( 1.165 1.993 0.012) 2.309 108.184 ( -1.310 -2.244 -0.062) 2.600 =================== 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 3/42240 10.0 203.680 203.680 205.803 -0.000 -0.000 -0.000 3/42240 20.0 125.572 125.572 97.370 -0.000 -0.000 -0.000 3/42240 30.0 107.126 107.126 55.587 -0.000 -0.000 -0.000 3/42240 40.0 90.507 90.507 37.836 -0.000 -0.000 -0.000 3/42240 50.0 71.370 71.370 27.323 -0.000 -0.000 -0.000 3/42240 60.0 53.783 53.783 20.175 -0.000 -0.000 -0.000 3/42240 70.0 40.364 40.364 15.208 -0.000 -0.000 -0.000 3/42240 80.0 30.929 30.929 11.765 -0.000 -0.000 -0.000 3/42240 90.0 24.408 24.408 9.364 -0.000 -0.000 -0.000 3/42240 100.0 19.841 19.841 7.659 -0.000 -0.000 -0.000 3/42240 110.0 16.562 16.562 6.418 -0.000 -0.000 -0.000 3/42240 120.0 14.140 14.140 5.492 -0.000 -0.000 -0.000 3/42240 130.0 12.304 12.304 4.783 -0.000 -0.000 -0.000 3/42240 140.0 10.875 10.875 4.228 -0.000 -0.000 -0.000 3/42240 150.0 9.739 9.739 3.783 -0.000 -0.000 -0.000 3/42240 160.0 8.817 8.817 3.421 -0.000 -0.000 -0.000 3/42240 170.0 8.057 8.057 3.122 -0.000 -0.000 -0.000 3/42240 180.0 7.420 7.420 2.870 -0.000 -0.000 -0.000 3/42240 190.0 6.880 6.880 2.656 -0.000 -0.000 -0.000 3/42240 200.0 6.416 6.416 2.471 -0.000 -0.000 -0.000 3/42240 210.0 6.014 6.014 2.311 -0.000 -0.000 -0.000 3/42240 220.0 5.661 5.661 2.171 -0.000 -0.000 -0.000 3/42240 230.0 5.350 5.350 2.047 -0.000 -0.000 -0.000 3/42240 240.0 5.073 5.073 1.937 -0.000 -0.000 -0.000 3/42240 250.0 4.826 4.826 1.838 -0.000 -0.000 -0.000 3/42240 260.0 4.602 4.602 1.749 -0.000 -0.000 -0.000 3/42240 270.0 4.400 4.400 1.669 -0.000 -0.000 -0.000 3/42240 280.0 4.216 4.216 1.596 -0.000 -0.000 -0.000 3/42240 290.0 4.048 4.048 1.529 -0.000 -0.000 -0.000 3/42240 300.0 3.893 3.893 1.468 -0.000 -0.000 -0.000 3/42240 310.0 3.751 3.751 1.411 -0.000 -0.000 -0.000 3/42240 320.0 3.619 3.619 1.359 -0.000 -0.000 -0.000 3/42240 330.0 3.497 3.497 1.311 -0.000 -0.000 -0.000 3/42240 340.0 3.383 3.383 1.266 -0.000 -0.000 -0.000 3/42240 350.0 3.277 3.277 1.224 -0.000 -0.000 -0.000 3/42240 360.0 3.177 3.177 1.185 -0.000 -0.000 -0.000 3/42240 370.0 3.084 3.084 1.149 -0.000 -0.000 -0.000 3/42240 380.0 2.996 2.996 1.115 -0.000 -0.000 -0.000 3/42240 390.0 2.914 2.914 1.082 -0.000 -0.000 -0.000 3/42240 400.0 2.836 2.836 1.052 -0.000 -0.000 -0.000 3/42240 410.0 2.762 2.762 1.023 -0.000 -0.000 -0.000 3/42240 420.0 2.692 2.692 0.996 -0.000 -0.000 -0.000 3/42240 430.0 2.626 2.626 0.971 -0.000 -0.000 -0.000 3/42240 440.0 2.563 2.563 0.946 -0.000 -0.000 -0.000 3/42240 450.0 2.503 2.503 0.923 -0.000 -0.000 -0.000 3/42240 460.0 2.446 2.446 0.901 -0.000 -0.000 -0.000 3/42240 470.0 2.392 2.392 0.881 -0.000 -0.000 -0.000 3/42240 480.0 2.340 2.340 0.861 -0.000 -0.000 -0.000 3/42240 490.0 2.290 2.290 0.842 -0.000 -0.000 -0.000 3/42240 500.0 2.243 2.243 0.823 -0.000 -0.000 -0.000 3/42240 510.0 2.197 2.197 0.806 -0.000 -0.000 -0.000 3/42240 520.0 2.154 2.154 0.789 -0.000 -0.000 -0.000 3/42240 530.0 2.112 2.112 0.773 -0.000 -0.000 -0.000 3/42240 540.0 2.071 2.071 0.758 -0.000 -0.000 -0.000 3/42240 550.0 2.033 2.033 0.743 -0.000 -0.000 -0.000 3/42240 560.0 1.995 1.995 0.729 -0.000 -0.000 -0.000 3/42240 570.0 1.959 1.959 0.716 -0.000 -0.000 -0.000 3/42240 580.0 1.925 1.925 0.703 -0.000 -0.000 -0.000 3/42240 590.0 1.891 1.891 0.690 -0.000 -0.000 -0.000 3/42240 600.0 1.859 1.859 0.678 -0.000 -0.000 -0.000 3/42240 610.0 1.828 1.828 0.666 -0.000 -0.000 -0.000 3/42240 620.0 1.798 1.798 0.655 -0.000 -0.000 -0.000 3/42240 630.0 1.769 1.769 0.644 -0.000 -0.000 -0.000 3/42240 640.0 1.741 1.741 0.634 -0.000 -0.000 -0.000 3/42240 650.0 1.714 1.714 0.623 -0.000 -0.000 -0.000 3/42240 660.0 1.687 1.687 0.613 -0.000 -0.000 -0.000 3/42240 670.0 1.662 1.662 0.604 -0.000 -0.000 -0.000 3/42240 680.0 1.637 1.637 0.595 -0.000 -0.000 -0.000 3/42240 690.0 1.613 1.613 0.586 -0.000 -0.000 -0.000 3/42240 700.0 1.589 1.589 0.577 -0.000 -0.000 -0.000 3/42240 710.0 1.567 1.567 0.569 -0.000 -0.000 -0.000 3/42240 720.0 1.545 1.545 0.560 -0.000 -0.000 -0.000 3/42240 730.0 1.523 1.523 0.552 -0.000 -0.000 -0.000 3/42240 740.0 1.503 1.503 0.545 -0.000 -0.000 -0.000 3/42240 750.0 1.482 1.482 0.537 -0.000 -0.000 -0.000 3/42240 760.0 1.463 1.463 0.530 -0.000 -0.000 -0.000 3/42240 770.0 1.444 1.444 0.523 -0.000 -0.000 -0.000 3/42240 780.0 1.425 1.425 0.516 -0.000 -0.000 -0.000 3/42240 790.0 1.407 1.407 0.509 -0.000 -0.000 -0.000 3/42240 800.0 1.389 1.389 0.503 -0.000 -0.000 -0.000 3/42240 810.0 1.372 1.372 0.496 -0.000 -0.000 -0.000 3/42240 820.0 1.355 1.355 0.490 -0.000 -0.000 -0.000 3/42240 830.0 1.339 1.339 0.484 -0.000 -0.000 -0.000 3/42240 840.0 1.323 1.323 0.478 -0.000 -0.000 -0.000 3/42240 850.0 1.307 1.307 0.472 -0.000 -0.000 -0.000 3/42240 860.0 1.292 1.292 0.467 -0.000 -0.000 -0.000 3/42240 870.0 1.277 1.277 0.461 -0.000 -0.000 -0.000 3/42240 880.0 1.262 1.262 0.456 -0.000 -0.000 -0.000 3/42240 890.0 1.248 1.248 0.451 -0.000 -0.000 -0.000 3/42240 900.0 1.234 1.234 0.446 -0.000 -0.000 -0.000 3/42240 910.0 1.221 1.221 0.441 -0.000 -0.000 -0.000 3/42240 920.0 1.207 1.207 0.436 -0.000 -0.000 -0.000 3/42240 930.0 1.194 1.194 0.431 -0.000 -0.000 -0.000 3/42240 940.0 1.182 1.182 0.426 -0.000 -0.000 -0.000 3/42240 950.0 1.169 1.169 0.422 -0.000 -0.000 -0.000 3/42240 960.0 1.157 1.157 0.417 -0.000 -0.000 -0.000 3/42240 970.0 1.145 1.145 0.413 -0.000 -0.000 -0.000 3/42240 980.0 1.133 1.133 0.409 -0.000 -0.000 -0.000 3/42240 990.0 1.122 1.122 0.404 -0.000 -0.000 -0.000 3/42240 1000.0 1.111 1.111 0.400 -0.000 -0.000 -0.000 3/42240 Thermal conductivity related properties were written into "kappa-m161611.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:31:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|