----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:48:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.060953886378774 0.000000000000000 0.000000000000000 b 0.000000000000000 4.177494030000000 0.000000000000000 c -1.271081935767050 0.000000000000000 7.437935591965395 Atomic positions (fractional): *1 Cd 0.15611270257947 0.25000000000000 0.89980669401896 112.411 2 Cd 0.84388729742053 0.75000000000000 0.10019330598104 112.411 *3 O 0.01177664985252 0.75000000000000 0.85536177066160 15.999 4 O 0.98822335014748 0.25000000000000 0.14463822933840 15.999 *5 O 0.95236208210791 0.25000000000000 0.59260424097448 15.999 6 O 0.04763791789209 0.75000000000000 0.40739575902552 15.999 *7 Cl 0.46370107977386 0.75000000000000 0.19250790089700 35.453 8 Cl 0.53629892022614 0.25000000000000 0.80749209910300 35.453 *9 Bi 0.80555561594930 0.75000000000000 0.59755474188548 208.980 10 Bi 0.19444438405070 0.25000000000000 0.40244525811452 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.060953886378774 0.000000000000000 0.000000000000000 b 0.000000000000000 4.177494030000000 0.000000000000000 c -1.271081935767050 0.000000000000000 7.437935591965395 Atomic positions (fractional): *1 Cd 0.15611270257947 0.25000000000000 0.89980669401896 112.411 > 1 2 Cd 0.84388729742053 0.75000000000000 0.10019330598104 112.411 > 2 *3 O 0.01177664985252 0.75000000000000 0.85536177066160 15.999 > 3 4 O 0.98822335014748 0.25000000000000 0.14463822933840 15.999 > 4 *5 O 0.95236208210791 0.25000000000000 0.59260424097448 15.999 > 5 6 O 0.04763791789209 0.75000000000000 0.40739575902552 15.999 > 6 *7 Cl 0.46370107977386 0.75000000000000 0.19250790089700 35.453 > 7 8 Cl 0.53629892022614 0.25000000000000 0.80749209910300 35.453 > 8 *9 Bi 0.80555561594930 0.75000000000000 0.59755474188548 208.980 > 9 10 Bi 0.19444438405070 0.25000000000000 0.40244525811452 208.980 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.121907772757549 0.000000000000000 0.000000000000000 b 0.000000000000000 12.532482090000000 0.000000000000000 c -2.542163871534100 0.000000000000000 14.875871183930791 Atomic positions (fractional): *1 Cd 0.07805635128973 0.08333333333333 0.44990334700948 112.411 > 1 2 Cd 0.57805635128973 0.08333333333333 0.44990334700948 112.411 > 1 3 Cd 0.07805635128973 0.41666666666667 0.44990334700948 112.411 > 1 4 Cd 0.57805635128973 0.41666666666667 0.44990334700948 112.411 > 1 5 Cd 0.07805635128973 0.75000000000000 0.44990334700948 112.411 > 1 6 Cd 0.57805635128973 0.75000000000000 0.44990334700948 112.411 > 1 7 Cd 0.07805635128973 0.08333333333333 0.94990334700948 112.411 > 1 8 Cd 0.57805635128973 0.08333333333333 0.94990334700948 112.411 > 1 9 Cd 0.07805635128973 0.41666666666667 0.94990334700948 112.411 > 1 10 Cd 0.57805635128973 0.41666666666667 0.94990334700948 112.411 > 1 11 Cd 0.07805635128973 0.75000000000000 0.94990334700948 112.411 > 1 12 Cd 0.57805635128973 0.75000000000000 0.94990334700948 112.411 > 1 13 Cd 0.42194364871027 0.25000000000000 0.05009665299052 112.411 > 2 14 Cd 0.92194364871027 0.25000000000000 0.05009665299052 112.411 > 2 15 Cd 0.42194364871027 0.58333333333333 0.05009665299052 112.411 > 2 16 Cd 0.92194364871027 0.58333333333333 0.05009665299052 112.411 > 2 17 Cd 0.42194364871027 0.91666666666667 0.05009665299052 112.411 > 2 18 Cd 0.92194364871027 0.91666666666667 0.05009665299052 112.411 > 2 19 Cd 0.42194364871027 0.25000000000000 0.55009665299052 112.411 > 2 20 Cd 0.92194364871027 0.25000000000000 0.55009665299052 112.411 > 2 21 Cd 0.42194364871027 0.58333333333333 0.55009665299052 112.411 > 2 22 Cd 0.92194364871027 0.58333333333333 0.55009665299052 112.411 > 2 23 Cd 0.42194364871027 0.91666666666667 0.55009665299052 112.411 > 2 24 Cd 0.92194364871027 0.91666666666667 0.55009665299052 112.411 > 2 *25 O 0.00588832492626 0.25000000000000 0.42768088533080 15.999 > 3 26 O 0.50588832492626 0.25000000000000 0.42768088533080 15.999 > 3 27 O 0.00588832492626 0.58333333333333 0.42768088533080 15.999 > 3 28 O 0.50588832492626 0.58333333333333 0.42768088533080 15.999 > 3 29 O 0.00588832492626 0.91666666666667 0.42768088533080 15.999 > 3 30 O 0.50588832492626 0.91666666666667 0.42768088533080 15.999 > 3 31 O 0.00588832492626 0.25000000000000 0.92768088533080 15.999 > 3 32 O 0.50588832492626 0.25000000000000 0.92768088533080 15.999 > 3 33 O 0.00588832492626 0.58333333333333 0.92768088533080 15.999 > 3 34 O 0.50588832492626 0.58333333333333 0.92768088533080 15.999 > 3 35 O 0.00588832492626 0.91666666666667 0.92768088533080 15.999 > 3 36 O 0.50588832492626 0.91666666666667 0.92768088533080 15.999 > 3 37 O 0.49411167507374 0.08333333333333 0.07231911466920 15.999 > 4 38 O 0.99411167507374 0.08333333333333 0.07231911466920 15.999 > 4 39 O 0.49411167507374 0.41666666666667 0.07231911466920 15.999 > 4 40 O 0.99411167507374 0.41666666666667 0.07231911466920 15.999 > 4 41 O 0.49411167507374 0.75000000000000 0.07231911466920 15.999 > 4 42 O 0.99411167507374 0.75000000000000 0.07231911466920 15.999 > 4 43 O 0.49411167507374 0.08333333333333 0.57231911466920 15.999 > 4 44 O 0.99411167507374 0.08333333333333 0.57231911466920 15.999 > 4 45 O 0.49411167507374 0.41666666666667 0.57231911466920 15.999 > 4 46 O 0.99411167507374 0.41666666666667 0.57231911466920 15.999 > 4 47 O 0.49411167507374 0.75000000000000 0.57231911466920 15.999 > 4 48 O 0.99411167507374 0.75000000000000 0.57231911466920 15.999 > 4 *49 O 0.47618104105395 0.08333333333333 0.29630212048724 15.999 > 5 50 O 0.97618104105395 0.08333333333333 0.29630212048724 15.999 > 5 51 O 0.47618104105395 0.41666666666667 0.29630212048724 15.999 > 5 52 O 0.97618104105395 0.41666666666667 0.29630212048724 15.999 > 5 53 O 0.47618104105395 0.75000000000000 0.29630212048724 15.999 > 5 54 O 0.97618104105395 0.75000000000000 0.29630212048724 15.999 > 5 55 O 0.47618104105395 0.08333333333333 0.79630212048724 15.999 > 5 56 O 0.97618104105395 0.08333333333333 0.79630212048724 15.999 > 5 57 O 0.47618104105395 0.41666666666667 0.79630212048724 15.999 > 5 58 O 0.97618104105395 0.41666666666667 0.79630212048724 15.999 > 5 59 O 0.47618104105395 0.75000000000000 0.79630212048724 15.999 > 5 60 O 0.97618104105395 0.75000000000000 0.79630212048724 15.999 > 5 61 O 0.02381895894605 0.25000000000000 0.20369787951276 15.999 > 6 62 O 0.52381895894605 0.25000000000000 0.20369787951276 15.999 > 6 63 O 0.02381895894605 0.58333333333333 0.20369787951276 15.999 > 6 64 O 0.52381895894605 0.58333333333333 0.20369787951276 15.999 > 6 65 O 0.02381895894605 0.91666666666667 0.20369787951276 15.999 > 6 66 O 0.52381895894605 0.91666666666667 0.20369787951276 15.999 > 6 67 O 0.02381895894605 0.25000000000000 0.70369787951276 15.999 > 6 68 O 0.52381895894605 0.25000000000000 0.70369787951276 15.999 > 6 69 O 0.02381895894605 0.58333333333333 0.70369787951276 15.999 > 6 70 O 0.52381895894605 0.58333333333333 0.70369787951276 15.999 > 6 71 O 0.02381895894605 0.91666666666667 0.70369787951276 15.999 > 6 72 O 0.52381895894605 0.91666666666667 0.70369787951276 15.999 > 6 *73 Cl 0.23185053988693 0.25000000000000 0.09625395044850 35.453 > 7 74 Cl 0.73185053988693 0.25000000000000 0.09625395044850 35.453 > 7 75 Cl 0.23185053988693 0.58333333333333 0.09625395044850 35.453 > 7 76 Cl 0.73185053988693 0.58333333333333 0.09625395044850 35.453 > 7 77 Cl 0.23185053988693 0.91666666666667 0.09625395044850 35.453 > 7 78 Cl 0.73185053988693 0.91666666666667 0.09625395044850 35.453 > 7 79 Cl 0.23185053988693 0.25000000000000 0.59625395044850 35.453 > 7 80 Cl 0.73185053988693 0.25000000000000 0.59625395044850 35.453 > 7 81 Cl 0.23185053988693 0.58333333333333 0.59625395044850 35.453 > 7 82 Cl 0.73185053988693 0.58333333333333 0.59625395044850 35.453 > 7 83 Cl 0.23185053988693 0.91666666666667 0.59625395044850 35.453 > 7 84 Cl 0.73185053988693 0.91666666666667 0.59625395044850 35.453 > 7 85 Cl 0.26814946011307 0.08333333333333 0.40374604955150 35.453 > 8 86 Cl 0.76814946011307 0.08333333333333 0.40374604955150 35.453 > 8 87 Cl 0.26814946011307 0.41666666666667 0.40374604955150 35.453 > 8 88 Cl 0.76814946011307 0.41666666666667 0.40374604955150 35.453 > 8 89 Cl 0.26814946011307 0.75000000000000 0.40374604955150 35.453 > 8 90 Cl 0.76814946011307 0.75000000000000 0.40374604955150 35.453 > 8 91 Cl 0.26814946011307 0.08333333333333 0.90374604955150 35.453 > 8 92 Cl 0.76814946011307 0.08333333333333 0.90374604955150 35.453 > 8 93 Cl 0.26814946011307 0.41666666666667 0.90374604955150 35.453 > 8 94 Cl 0.76814946011307 0.41666666666667 0.90374604955150 35.453 > 8 95 Cl 0.26814946011307 0.75000000000000 0.90374604955150 35.453 > 8 96 Cl 0.76814946011307 0.75000000000000 0.90374604955150 35.453 > 8 *97 Bi 0.40277780797465 0.25000000000000 0.29877737094274 208.980 > 9 98 Bi 0.90277780797465 0.25000000000000 0.29877737094274 208.980 > 9 99 Bi 0.40277780797465 0.58333333333333 0.29877737094274 208.980 > 9 100 Bi 0.90277780797465 0.58333333333333 0.29877737094274 208.980 > 9 101 Bi 0.40277780797465 0.91666666666667 0.29877737094274 208.980 > 9 102 Bi 0.90277780797465 0.91666666666667 0.29877737094274 208.980 > 9 103 Bi 0.40277780797465 0.25000000000000 0.79877737094274 208.980 > 9 104 Bi 0.90277780797465 0.25000000000000 0.79877737094274 208.980 > 9 105 Bi 0.40277780797465 0.58333333333333 0.79877737094274 208.980 > 9 106 Bi 0.90277780797465 0.58333333333333 0.79877737094274 208.980 > 9 107 Bi 0.40277780797465 0.91666666666667 0.79877737094274 208.980 > 9 108 Bi 0.90277780797465 0.91666666666667 0.79877737094274 208.980 > 9 109 Bi 0.09722219202535 0.08333333333333 0.20122262905726 208.980 > 10 110 Bi 0.59722219202535 0.08333333333333 0.20122262905726 208.980 > 10 111 Bi 0.09722219202535 0.41666666666667 0.20122262905726 208.980 > 10 112 Bi 0.59722219202535 0.41666666666667 0.20122262905726 208.980 > 10 113 Bi 0.09722219202535 0.75000000000000 0.20122262905726 208.980 > 10 114 Bi 0.59722219202535 0.75000000000000 0.20122262905726 208.980 > 10 115 Bi 0.09722219202535 0.08333333333333 0.70122262905726 208.980 > 10 116 Bi 0.59722219202535 0.08333333333333 0.70122262905726 208.980 > 10 117 Bi 0.09722219202535 0.41666666666667 0.70122262905726 208.980 > 10 118 Bi 0.59722219202535 0.41666666666667 0.70122262905726 208.980 > 10 119 Bi 0.09722219202535 0.75000000000000 0.70122262905726 208.980 > 10 120 Bi 0.59722219202535 0.75000000000000 0.70122262905726 208.980 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6192350 0.0000000 -0.2568384 0.0000000 5.0727355 0.0000000 -0.2568388 0.0000000 4.9253421 -------------------------- Born effective charges -------------------------- 1 Cd 2.4365619 0.0000000 -0.1275406 0.0000000 2.3432117 0.0000000 -0.2009100 0.0000000 2.5968137 2 Cd 2.4365619 0.0000000 -0.1275406 0.0000000 2.3432117 0.0000000 -0.2009100 0.0000000 2.5968137 3 O -1.5471399 0.0000000 -0.2675957 0.0000000 -2.1122298 0.0000000 -0.4638558 0.0000000 -3.0534702 4 O -1.5471399 0.0000000 -0.2675957 0.0000000 -2.1122298 0.0000000 -0.4638558 0.0000000 -3.0534702 5 O -1.9686668 0.0000000 0.5629793 0.0000000 -3.8976060 0.0000000 0.9891583 0.0000000 -1.8772773 6 O -1.9686668 0.0000000 0.5629793 0.0000000 -3.8976060 0.0000000 0.9891583 0.0000000 -1.8772773 7 Cl -1.9322090 0.0000000 0.2627654 0.0000000 -1.1840678 0.0000000 0.1320241 0.0000000 -1.5037247 8 Cl -1.9322090 0.0000000 0.2627654 0.0000000 -1.1840678 0.0000000 0.1320241 0.0000000 -1.5037247 9 Bi 3.0114538 0.0000000 -0.4306084 0.0000000 4.8506920 0.0000000 -0.4564167 0.0000000 3.8376586 10 Bi 3.0114538 0.0000000 -0.4306084 0.0000000 4.8506920 0.0000000 -0.4564167 0.0000000 3.8376586 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 5880/5880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1520 Number of blocks in projector: 1520 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1520, 1496), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (400, 391), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 320 - Time: 2.259 Solver_block: 200 / 320 - Time: 2.231 Solver_block: 300 / 320 - Time: 2.229 Solver_block: 320 / 320 - Time: 0.535 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.290 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 5880/5880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1520 Number of blocks in projector: 1520 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1520, 1496), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (400, 391), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 10:49:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:49:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.060953886378774 0.000000000000000 0.000000000000000 b 0.000000000000000 4.177494030000000 0.000000000000000 c -1.271081935767050 0.000000000000000 7.437935591965395 Atomic positions (fractional): 1 Cd 0.15611270257947 0.25000000000000 0.89980669401896 112.411 2 Cd 0.84388729742053 0.75000000000000 0.10019330598104 112.411 3 O 0.01177664985252 0.75000000000000 0.85536177066160 15.999 4 O 0.98822335014748 0.25000000000000 0.14463822933840 15.999 5 O 0.95236208210791 0.25000000000000 0.59260424097448 15.999 6 O 0.04763791789209 0.75000000000000 0.40739575902552 15.999 7 Cl 0.46370107977386 0.75000000000000 0.19250790089700 35.453 8 Cl 0.53629892022614 0.25000000000000 0.80749209910300 35.453 9 Bi 0.80555561594930 0.75000000000000 0.59755474188548 208.980 10 Bi 0.19444438405070 0.25000000000000 0.40244525811452 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.121907772757549 0.000000000000000 0.000000000000000 b 0.000000000000000 12.532482090000000 0.000000000000000 c -2.542163871534100 0.000000000000000 14.875871183930791 Atomic positions (fractional): 1 Cd 0.07805635128973 0.08333333333333 0.44990334700948 112.411 > 1 2 Cd 0.57805635128973 0.08333333333333 0.44990334700948 112.411 > 1 3 Cd 0.07805635128973 0.41666666666667 0.44990334700948 112.411 > 1 4 Cd 0.57805635128973 0.41666666666667 0.44990334700948 112.411 > 1 5 Cd 0.07805635128973 0.75000000000000 0.44990334700948 112.411 > 1 6 Cd 0.57805635128973 0.75000000000000 0.44990334700948 112.411 > 1 7 Cd 0.07805635128973 0.08333333333333 0.94990334700948 112.411 > 1 8 Cd 0.57805635128973 0.08333333333333 0.94990334700948 112.411 > 1 9 Cd 0.07805635128973 0.41666666666667 0.94990334700948 112.411 > 1 10 Cd 0.57805635128973 0.41666666666667 0.94990334700948 112.411 > 1 11 Cd 0.07805635128973 0.75000000000000 0.94990334700948 112.411 > 1 12 Cd 0.57805635128973 0.75000000000000 0.94990334700948 112.411 > 1 13 Cd 0.42194364871027 0.25000000000000 0.05009665299052 112.411 > 13 14 Cd 0.92194364871027 0.25000000000000 0.05009665299052 112.411 > 13 15 Cd 0.42194364871027 0.58333333333333 0.05009665299052 112.411 > 13 16 Cd 0.92194364871027 0.58333333333333 0.05009665299052 112.411 > 13 17 Cd 0.42194364871027 0.91666666666667 0.05009665299052 112.411 > 13 18 Cd 0.92194364871027 0.91666666666667 0.05009665299052 112.411 > 13 19 Cd 0.42194364871027 0.25000000000000 0.55009665299052 112.411 > 13 20 Cd 0.92194364871027 0.25000000000000 0.55009665299052 112.411 > 13 21 Cd 0.42194364871027 0.58333333333333 0.55009665299052 112.411 > 13 22 Cd 0.92194364871027 0.58333333333333 0.55009665299052 112.411 > 13 23 Cd 0.42194364871027 0.91666666666667 0.55009665299052 112.411 > 13 24 Cd 0.92194364871027 0.91666666666667 0.55009665299052 112.411 > 13 25 O 0.00588832492626 0.25000000000000 0.42768088533080 15.999 > 25 26 O 0.50588832492626 0.25000000000000 0.42768088533080 15.999 > 25 27 O 0.00588832492626 0.58333333333333 0.42768088533080 15.999 > 25 28 O 0.50588832492626 0.58333333333333 0.42768088533080 15.999 > 25 29 O 0.00588832492626 0.91666666666667 0.42768088533080 15.999 > 25 30 O 0.50588832492626 0.91666666666667 0.42768088533080 15.999 > 25 31 O 0.00588832492626 0.25000000000000 0.92768088533080 15.999 > 25 32 O 0.50588832492626 0.25000000000000 0.92768088533080 15.999 > 25 33 O 0.00588832492626 0.58333333333333 0.92768088533080 15.999 > 25 34 O 0.50588832492626 0.58333333333333 0.92768088533080 15.999 > 25 35 O 0.00588832492626 0.91666666666667 0.92768088533080 15.999 > 25 36 O 0.50588832492626 0.91666666666667 0.92768088533080 15.999 > 25 37 O 0.49411167507374 0.08333333333333 0.07231911466920 15.999 > 37 38 O 0.99411167507374 0.08333333333333 0.07231911466920 15.999 > 37 39 O 0.49411167507374 0.41666666666667 0.07231911466920 15.999 > 37 40 O 0.99411167507374 0.41666666666667 0.07231911466920 15.999 > 37 41 O 0.49411167507374 0.75000000000000 0.07231911466920 15.999 > 37 42 O 0.99411167507374 0.75000000000000 0.07231911466920 15.999 > 37 43 O 0.49411167507374 0.08333333333333 0.57231911466920 15.999 > 37 44 O 0.99411167507374 0.08333333333333 0.57231911466920 15.999 > 37 45 O 0.49411167507374 0.41666666666667 0.57231911466920 15.999 > 37 46 O 0.99411167507374 0.41666666666667 0.57231911466920 15.999 > 37 47 O 0.49411167507374 0.75000000000000 0.57231911466920 15.999 > 37 48 O 0.99411167507374 0.75000000000000 0.57231911466920 15.999 > 37 49 O 0.47618104105395 0.08333333333333 0.29630212048724 15.999 > 49 50 O 0.97618104105395 0.08333333333333 0.29630212048724 15.999 > 49 51 O 0.47618104105395 0.41666666666667 0.29630212048724 15.999 > 49 52 O 0.97618104105395 0.41666666666667 0.29630212048724 15.999 > 49 53 O 0.47618104105395 0.75000000000000 0.29630212048724 15.999 > 49 54 O 0.97618104105395 0.75000000000000 0.29630212048724 15.999 > 49 55 O 0.47618104105395 0.08333333333333 0.79630212048724 15.999 > 49 56 O 0.97618104105395 0.08333333333333 0.79630212048724 15.999 > 49 57 O 0.47618104105395 0.41666666666667 0.79630212048724 15.999 > 49 58 O 0.97618104105395 0.41666666666667 0.79630212048724 15.999 > 49 59 O 0.47618104105395 0.75000000000000 0.79630212048724 15.999 > 49 60 O 0.97618104105395 0.75000000000000 0.79630212048724 15.999 > 49 61 O 0.02381895894605 0.25000000000000 0.20369787951276 15.999 > 61 62 O 0.52381895894605 0.25000000000000 0.20369787951276 15.999 > 61 63 O 0.02381895894605 0.58333333333333 0.20369787951276 15.999 > 61 64 O 0.52381895894605 0.58333333333333 0.20369787951276 15.999 > 61 65 O 0.02381895894605 0.91666666666667 0.20369787951276 15.999 > 61 66 O 0.52381895894605 0.91666666666667 0.20369787951276 15.999 > 61 67 O 0.02381895894605 0.25000000000000 0.70369787951276 15.999 > 61 68 O 0.52381895894605 0.25000000000000 0.70369787951276 15.999 > 61 69 O 0.02381895894605 0.58333333333333 0.70369787951276 15.999 > 61 70 O 0.52381895894605 0.58333333333333 0.70369787951276 15.999 > 61 71 O 0.02381895894605 0.91666666666667 0.70369787951276 15.999 > 61 72 O 0.52381895894605 0.91666666666667 0.70369787951276 15.999 > 61 73 Cl 0.23185053988693 0.25000000000000 0.09625395044850 35.453 > 73 74 Cl 0.73185053988693 0.25000000000000 0.09625395044850 35.453 > 73 75 Cl 0.23185053988693 0.58333333333333 0.09625395044850 35.453 > 73 76 Cl 0.73185053988693 0.58333333333333 0.09625395044850 35.453 > 73 77 Cl 0.23185053988693 0.91666666666667 0.09625395044850 35.453 > 73 78 Cl 0.73185053988693 0.91666666666667 0.09625395044850 35.453 > 73 79 Cl 0.23185053988693 0.25000000000000 0.59625395044850 35.453 > 73 80 Cl 0.73185053988693 0.25000000000000 0.59625395044850 35.453 > 73 81 Cl 0.23185053988693 0.58333333333333 0.59625395044850 35.453 > 73 82 Cl 0.73185053988693 0.58333333333333 0.59625395044850 35.453 > 73 83 Cl 0.23185053988693 0.91666666666667 0.59625395044850 35.453 > 73 84 Cl 0.73185053988693 0.91666666666667 0.59625395044850 35.453 > 73 85 Cl 0.26814946011307 0.08333333333333 0.40374604955150 35.453 > 85 86 Cl 0.76814946011307 0.08333333333333 0.40374604955150 35.453 > 85 87 Cl 0.26814946011307 0.41666666666667 0.40374604955150 35.453 > 85 88 Cl 0.76814946011307 0.41666666666667 0.40374604955150 35.453 > 85 89 Cl 0.26814946011307 0.75000000000000 0.40374604955150 35.453 > 85 90 Cl 0.76814946011307 0.75000000000000 0.40374604955150 35.453 > 85 91 Cl 0.26814946011307 0.08333333333333 0.90374604955150 35.453 > 85 92 Cl 0.76814946011307 0.08333333333333 0.90374604955150 35.453 > 85 93 Cl 0.26814946011307 0.41666666666667 0.90374604955150 35.453 > 85 94 Cl 0.76814946011307 0.41666666666667 0.90374604955150 35.453 > 85 95 Cl 0.26814946011307 0.75000000000000 0.90374604955150 35.453 > 85 96 Cl 0.76814946011307 0.75000000000000 0.90374604955150 35.453 > 85 97 Bi 0.40277780797465 0.25000000000000 0.29877737094274 208.980 > 97 98 Bi 0.90277780797465 0.25000000000000 0.29877737094274 208.980 > 97 99 Bi 0.40277780797465 0.58333333333333 0.29877737094274 208.980 > 97 100 Bi 0.90277780797465 0.58333333333333 0.29877737094274 208.980 > 97 101 Bi 0.40277780797465 0.91666666666667 0.29877737094274 208.980 > 97 102 Bi 0.90277780797465 0.91666666666667 0.29877737094274 208.980 > 97 103 Bi 0.40277780797465 0.25000000000000 0.79877737094274 208.980 > 97 104 Bi 0.90277780797465 0.25000000000000 0.79877737094274 208.980 > 97 105 Bi 0.40277780797465 0.58333333333333 0.79877737094274 208.980 > 97 106 Bi 0.90277780797465 0.58333333333333 0.79877737094274 208.980 > 97 107 Bi 0.40277780797465 0.91666666666667 0.79877737094274 208.980 > 97 108 Bi 0.90277780797465 0.91666666666667 0.79877737094274 208.980 > 97 109 Bi 0.09722219202535 0.08333333333333 0.20122262905726 208.980 > 109 110 Bi 0.59722219202535 0.08333333333333 0.20122262905726 208.980 > 109 111 Bi 0.09722219202535 0.41666666666667 0.20122262905726 208.980 > 109 112 Bi 0.59722219202535 0.41666666666667 0.20122262905726 208.980 > 109 113 Bi 0.09722219202535 0.75000000000000 0.20122262905726 208.980 > 109 114 Bi 0.59722219202535 0.75000000000000 0.20122262905726 208.980 > 109 115 Bi 0.09722219202535 0.08333333333333 0.70122262905726 208.980 > 109 116 Bi 0.59722219202535 0.08333333333333 0.70122262905726 208.980 > 109 117 Bi 0.09722219202535 0.41666666666667 0.70122262905726 208.980 > 109 118 Bi 0.59722219202535 0.41666666666667 0.70122262905726 208.980 > 109 119 Bi 0.09722219202535 0.75000000000000 0.70122262905726 208.980 > 109 120 Bi 0.59722219202535 0.75000000000000 0.70122262905726 208.980 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6192350 0.0000000 -0.2568384 0.0000000 5.0727355 0.0000000 -0.2568388 0.0000000 4.9253421 -------------------------- Born effective charges -------------------------- 1 Cd 2.4365619 0.0000000 -0.1275406 0.0000000 2.3432117 0.0000000 -0.2009100 0.0000000 2.5968137 2 Cd 2.4365619 0.0000000 -0.1275406 0.0000000 2.3432117 0.0000000 -0.2009100 0.0000000 2.5968137 3 O -1.5471399 0.0000000 -0.2675957 0.0000000 -2.1122298 0.0000000 -0.4638558 0.0000000 -3.0534702 4 O -1.5471399 0.0000000 -0.2675957 0.0000000 -2.1122298 0.0000000 -0.4638558 0.0000000 -3.0534702 5 O -1.9686668 0.0000000 0.5629793 0.0000000 -3.8976060 0.0000000 0.9891583 0.0000000 -1.8772773 6 O -1.9686668 0.0000000 0.5629793 0.0000000 -3.8976060 0.0000000 0.9891583 0.0000000 -1.8772773 7 Cl -1.9322090 0.0000000 0.2627654 0.0000000 -1.1840678 0.0000000 0.1320241 0.0000000 -1.5037247 8 Cl -1.9322090 0.0000000 0.2627654 0.0000000 -1.1840678 0.0000000 0.1320241 0.0000000 -1.5037247 9 Bi 3.0114538 0.0000000 -0.4306084 0.0000000 4.8506920 0.0000000 -0.4564167 0.0000000 3.8376586 10 Bi 3.0114538 0.0000000 -0.4306084 0.0000000 4.8506920 0.0000000 -0.4564167 0.0000000 3.8376586 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yxy) 0.00000001 (yxy) 0.00000001 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) 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 10:49:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:49:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.060953886378774 0.000000000000000 0.000000000000000 b 0.000000000000000 4.177494030000000 0.000000000000000 c -1.271081935767050 0.000000000000000 7.437935591965395 Atomic positions (fractional): 1 Cd 0.15611270257947 0.25000000000000 0.89980669401896 112.411 2 Cd 0.84388729742053 0.75000000000000 0.10019330598104 112.411 3 O 0.01177664985252 0.75000000000000 0.85536177066160 15.999 4 O 0.98822335014748 0.25000000000000 0.14463822933840 15.999 5 O 0.95236208210791 0.25000000000000 0.59260424097448 15.999 6 O 0.04763791789209 0.75000000000000 0.40739575902552 15.999 7 Cl 0.46370107977386 0.75000000000000 0.19250790089700 35.453 8 Cl 0.53629892022614 0.25000000000000 0.80749209910300 35.453 9 Bi 0.80555561594930 0.75000000000000 0.59755474188548 208.980 10 Bi 0.19444438405070 0.25000000000000 0.40244525811452 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.121907772757549 0.000000000000000 0.000000000000000 b 0.000000000000000 12.532482090000000 0.000000000000000 c -2.542163871534100 0.000000000000000 14.875871183930791 Atomic positions (fractional): 1 Cd 0.07805635128973 0.08333333333333 0.44990334700948 112.411 > 1 2 Cd 0.57805635128973 0.08333333333333 0.44990334700948 112.411 > 1 3 Cd 0.07805635128973 0.41666666666667 0.44990334700948 112.411 > 1 4 Cd 0.57805635128973 0.41666666666667 0.44990334700948 112.411 > 1 5 Cd 0.07805635128973 0.75000000000000 0.44990334700948 112.411 > 1 6 Cd 0.57805635128973 0.75000000000000 0.44990334700948 112.411 > 1 7 Cd 0.07805635128973 0.08333333333333 0.94990334700948 112.411 > 1 8 Cd 0.57805635128973 0.08333333333333 0.94990334700948 112.411 > 1 9 Cd 0.07805635128973 0.41666666666667 0.94990334700948 112.411 > 1 10 Cd 0.57805635128973 0.41666666666667 0.94990334700948 112.411 > 1 11 Cd 0.07805635128973 0.75000000000000 0.94990334700948 112.411 > 1 12 Cd 0.57805635128973 0.75000000000000 0.94990334700948 112.411 > 1 13 Cd 0.42194364871027 0.25000000000000 0.05009665299052 112.411 > 13 14 Cd 0.92194364871027 0.25000000000000 0.05009665299052 112.411 > 13 15 Cd 0.42194364871027 0.58333333333333 0.05009665299052 112.411 > 13 16 Cd 0.92194364871027 0.58333333333333 0.05009665299052 112.411 > 13 17 Cd 0.42194364871027 0.91666666666667 0.05009665299052 112.411 > 13 18 Cd 0.92194364871027 0.91666666666667 0.05009665299052 112.411 > 13 19 Cd 0.42194364871027 0.25000000000000 0.55009665299052 112.411 > 13 20 Cd 0.92194364871027 0.25000000000000 0.55009665299052 112.411 > 13 21 Cd 0.42194364871027 0.58333333333333 0.55009665299052 112.411 > 13 22 Cd 0.92194364871027 0.58333333333333 0.55009665299052 112.411 > 13 23 Cd 0.42194364871027 0.91666666666667 0.55009665299052 112.411 > 13 24 Cd 0.92194364871027 0.91666666666667 0.55009665299052 112.411 > 13 25 O 0.00588832492626 0.25000000000000 0.42768088533080 15.999 > 25 26 O 0.50588832492626 0.25000000000000 0.42768088533080 15.999 > 25 27 O 0.00588832492626 0.58333333333333 0.42768088533080 15.999 > 25 28 O 0.50588832492626 0.58333333333333 0.42768088533080 15.999 > 25 29 O 0.00588832492626 0.91666666666667 0.42768088533080 15.999 > 25 30 O 0.50588832492626 0.91666666666667 0.42768088533080 15.999 > 25 31 O 0.00588832492626 0.25000000000000 0.92768088533080 15.999 > 25 32 O 0.50588832492626 0.25000000000000 0.92768088533080 15.999 > 25 33 O 0.00588832492626 0.58333333333333 0.92768088533080 15.999 > 25 34 O 0.50588832492626 0.58333333333333 0.92768088533080 15.999 > 25 35 O 0.00588832492626 0.91666666666667 0.92768088533080 15.999 > 25 36 O 0.50588832492626 0.91666666666667 0.92768088533080 15.999 > 25 37 O 0.49411167507374 0.08333333333333 0.07231911466920 15.999 > 37 38 O 0.99411167507374 0.08333333333333 0.07231911466920 15.999 > 37 39 O 0.49411167507374 0.41666666666667 0.07231911466920 15.999 > 37 40 O 0.99411167507374 0.41666666666667 0.07231911466920 15.999 > 37 41 O 0.49411167507374 0.75000000000000 0.07231911466920 15.999 > 37 42 O 0.99411167507374 0.75000000000000 0.07231911466920 15.999 > 37 43 O 0.49411167507374 0.08333333333333 0.57231911466920 15.999 > 37 44 O 0.99411167507374 0.08333333333333 0.57231911466920 15.999 > 37 45 O 0.49411167507374 0.41666666666667 0.57231911466920 15.999 > 37 46 O 0.99411167507374 0.41666666666667 0.57231911466920 15.999 > 37 47 O 0.49411167507374 0.75000000000000 0.57231911466920 15.999 > 37 48 O 0.99411167507374 0.75000000000000 0.57231911466920 15.999 > 37 49 O 0.47618104105395 0.08333333333333 0.29630212048724 15.999 > 49 50 O 0.97618104105395 0.08333333333333 0.29630212048724 15.999 > 49 51 O 0.47618104105395 0.41666666666667 0.29630212048724 15.999 > 49 52 O 0.97618104105395 0.41666666666667 0.29630212048724 15.999 > 49 53 O 0.47618104105395 0.75000000000000 0.29630212048724 15.999 > 49 54 O 0.97618104105395 0.75000000000000 0.29630212048724 15.999 > 49 55 O 0.47618104105395 0.08333333333333 0.79630212048724 15.999 > 49 56 O 0.97618104105395 0.08333333333333 0.79630212048724 15.999 > 49 57 O 0.47618104105395 0.41666666666667 0.79630212048724 15.999 > 49 58 O 0.97618104105395 0.41666666666667 0.79630212048724 15.999 > 49 59 O 0.47618104105395 0.75000000000000 0.79630212048724 15.999 > 49 60 O 0.97618104105395 0.75000000000000 0.79630212048724 15.999 > 49 61 O 0.02381895894605 0.25000000000000 0.20369787951276 15.999 > 61 62 O 0.52381895894605 0.25000000000000 0.20369787951276 15.999 > 61 63 O 0.02381895894605 0.58333333333333 0.20369787951276 15.999 > 61 64 O 0.52381895894605 0.58333333333333 0.20369787951276 15.999 > 61 65 O 0.02381895894605 0.91666666666667 0.20369787951276 15.999 > 61 66 O 0.52381895894605 0.91666666666667 0.20369787951276 15.999 > 61 67 O 0.02381895894605 0.25000000000000 0.70369787951276 15.999 > 61 68 O 0.52381895894605 0.25000000000000 0.70369787951276 15.999 > 61 69 O 0.02381895894605 0.58333333333333 0.70369787951276 15.999 > 61 70 O 0.52381895894605 0.58333333333333 0.70369787951276 15.999 > 61 71 O 0.02381895894605 0.91666666666667 0.70369787951276 15.999 > 61 72 O 0.52381895894605 0.91666666666667 0.70369787951276 15.999 > 61 73 Cl 0.23185053988693 0.25000000000000 0.09625395044850 35.453 > 73 74 Cl 0.73185053988693 0.25000000000000 0.09625395044850 35.453 > 73 75 Cl 0.23185053988693 0.58333333333333 0.09625395044850 35.453 > 73 76 Cl 0.73185053988693 0.58333333333333 0.09625395044850 35.453 > 73 77 Cl 0.23185053988693 0.91666666666667 0.09625395044850 35.453 > 73 78 Cl 0.73185053988693 0.91666666666667 0.09625395044850 35.453 > 73 79 Cl 0.23185053988693 0.25000000000000 0.59625395044850 35.453 > 73 80 Cl 0.73185053988693 0.25000000000000 0.59625395044850 35.453 > 73 81 Cl 0.23185053988693 0.58333333333333 0.59625395044850 35.453 > 73 82 Cl 0.73185053988693 0.58333333333333 0.59625395044850 35.453 > 73 83 Cl 0.23185053988693 0.91666666666667 0.59625395044850 35.453 > 73 84 Cl 0.73185053988693 0.91666666666667 0.59625395044850 35.453 > 73 85 Cl 0.26814946011307 0.08333333333333 0.40374604955150 35.453 > 85 86 Cl 0.76814946011307 0.08333333333333 0.40374604955150 35.453 > 85 87 Cl 0.26814946011307 0.41666666666667 0.40374604955150 35.453 > 85 88 Cl 0.76814946011307 0.41666666666667 0.40374604955150 35.453 > 85 89 Cl 0.26814946011307 0.75000000000000 0.40374604955150 35.453 > 85 90 Cl 0.76814946011307 0.75000000000000 0.40374604955150 35.453 > 85 91 Cl 0.26814946011307 0.08333333333333 0.90374604955150 35.453 > 85 92 Cl 0.76814946011307 0.08333333333333 0.90374604955150 35.453 > 85 93 Cl 0.26814946011307 0.41666666666667 0.90374604955150 35.453 > 85 94 Cl 0.76814946011307 0.41666666666667 0.90374604955150 35.453 > 85 95 Cl 0.26814946011307 0.75000000000000 0.90374604955150 35.453 > 85 96 Cl 0.76814946011307 0.75000000000000 0.90374604955150 35.453 > 85 97 Bi 0.40277780797465 0.25000000000000 0.29877737094274 208.980 > 97 98 Bi 0.90277780797465 0.25000000000000 0.29877737094274 208.980 > 97 99 Bi 0.40277780797465 0.58333333333333 0.29877737094274 208.980 > 97 100 Bi 0.90277780797465 0.58333333333333 0.29877737094274 208.980 > 97 101 Bi 0.40277780797465 0.91666666666667 0.29877737094274 208.980 > 97 102 Bi 0.90277780797465 0.91666666666667 0.29877737094274 208.980 > 97 103 Bi 0.40277780797465 0.25000000000000 0.79877737094274 208.980 > 97 104 Bi 0.90277780797465 0.25000000000000 0.79877737094274 208.980 > 97 105 Bi 0.40277780797465 0.58333333333333 0.79877737094274 208.980 > 97 106 Bi 0.90277780797465 0.58333333333333 0.79877737094274 208.980 > 97 107 Bi 0.40277780797465 0.91666666666667 0.79877737094274 208.980 > 97 108 Bi 0.90277780797465 0.91666666666667 0.79877737094274 208.980 > 97 109 Bi 0.09722219202535 0.08333333333333 0.20122262905726 208.980 > 109 110 Bi 0.59722219202535 0.08333333333333 0.20122262905726 208.980 > 109 111 Bi 0.09722219202535 0.41666666666667 0.20122262905726 208.980 > 109 112 Bi 0.59722219202535 0.41666666666667 0.20122262905726 208.980 > 109 113 Bi 0.09722219202535 0.75000000000000 0.20122262905726 208.980 > 109 114 Bi 0.59722219202535 0.75000000000000 0.20122262905726 208.980 > 109 115 Bi 0.09722219202535 0.08333333333333 0.70122262905726 208.980 > 109 116 Bi 0.59722219202535 0.08333333333333 0.70122262905726 208.980 > 109 117 Bi 0.09722219202535 0.41666666666667 0.70122262905726 208.980 > 109 118 Bi 0.59722219202535 0.41666666666667 0.70122262905726 208.980 > 109 119 Bi 0.09722219202535 0.75000000000000 0.70122262905726 208.980 > 109 120 Bi 0.59722219202535 0.75000000000000 0.70122262905726 208.980 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6192350 0.0000000 -0.2568384 0.0000000 5.0727355 0.0000000 -0.2568388 0.0000000 4.9253421 -------------------------- Born effective charges -------------------------- 1 Cd 2.4365619 0.0000000 -0.1275406 0.0000000 2.3432117 0.0000000 -0.2009100 0.0000000 2.5968137 2 Cd 2.4365619 0.0000000 -0.1275406 0.0000000 2.3432117 0.0000000 -0.2009100 0.0000000 2.5968137 3 O -1.5471399 0.0000000 -0.2675957 0.0000000 -2.1122298 0.0000000 -0.4638558 0.0000000 -3.0534702 4 O -1.5471399 0.0000000 -0.2675957 0.0000000 -2.1122298 0.0000000 -0.4638558 0.0000000 -3.0534702 5 O -1.9686668 0.0000000 0.5629793 0.0000000 -3.8976060 0.0000000 0.9891583 0.0000000 -1.8772773 6 O -1.9686668 0.0000000 0.5629793 0.0000000 -3.8976060 0.0000000 0.9891583 0.0000000 -1.8772773 7 Cl -1.9322090 0.0000000 0.2627654 0.0000000 -1.1840678 0.0000000 0.1320241 0.0000000 -1.5037247 8 Cl -1.9322090 0.0000000 0.2627654 0.0000000 -1.1840678 0.0000000 0.1320241 0.0000000 -1.5037247 9 Bi 3.0114538 0.0000000 -0.4306084 0.0000000 4.8506920 0.0000000 -0.4564167 0.0000000 3.8376586 10 Bi 3.0114538 0.0000000 -0.4306084 0.0000000 4.8506920 0.0000000 -0.4564167 0.0000000 3.8376586 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yxy) 0.00000001 (yxy) 0.00000001 (yyx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 12 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.72, Number of G-points: 309, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/203) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.860 ( 0.000 0.000 0.000) 0.000 2.014 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 0.000) 0.000 2.263 ( 0.000 0.000 0.000) 0.000 2.452 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.886 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 3.252 ( 0.000 0.000 0.000) 0.000 3.312 ( 0.000 0.000 0.000) 0.000 4.247 ( 0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 6.365 ( 0.000 0.000 0.000) 0.000 6.505 ( 0.000 0.000 0.000) 0.000 7.784 ( 0.000 0.000 0.000) 0.000 7.887 ( 0.000 0.000 0.000) 0.000 9.576 ( 0.000 0.000 0.000) 0.000 9.611 ( 0.000 0.000 0.000) 0.000 11.002 ( 0.000 0.000 0.000) 0.000 12.359 ( 0.000 0.000 0.000) 0.000 12.618 ( 0.000 0.000 0.000) 0.000 13.080 ( 0.000 0.000 0.000) 0.000 14.395 ( 0.000 0.000 0.000) 0.000 15.596 ( 0.000 0.000 0.000) 0.000 15.781 ( 0.000 0.000 0.000) 0.000 16.747 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/203) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.225 ( 11.641 0.000 -7.330) 13.757 0.266 ( 9.914 0.000 13.686) 16.900 0.584 ( 28.513 0.000 -6.910) 29.339 1.837 ( -1.474 0.000 -4.308) 4.554 2.154 ( -4.006 0.000 1.007) 4.131 2.175 ( -5.502 0.000 21.151) 21.855 2.330 ( 3.720 0.000 1.215) 3.914 2.465 ( -3.171 0.000 20.503) 20.746 2.580 ( -0.053 0.000 -1.433) 1.434 2.896 ( 0.433 0.000 2.074) 2.119 2.941 ( 0.628 0.000 0.170) 0.651 3.253 ( 0.038 0.000 -0.149) 0.154 3.330 ( 0.828 0.000 4.334) 4.412 4.287 ( -4.778 0.000 4.192) 6.356 4.465 ( 0.963 0.000 -1.500) 1.783 4.784 ( 1.955 0.000 -1.678) 2.576 6.386 ( 1.617 0.000 0.878) 1.840 7.501 ( -2.876 0.000 17.876) 18.106 7.844 ( 3.949 0.000 -32.293) 32.533 7.923 ( 4.012 0.000 -14.490) 15.036 9.577 ( 0.153 0.000 0.032) 0.156 9.598 ( -1.332 0.000 1.152) 1.761 11.444 ( -0.551 0.000 -5.621) 5.647 12.362 ( 0.377 0.000 -0.272) 0.465 12.620 ( 0.098 0.000 0.227) 0.247 13.099 ( 3.980 0.000 -32.400) 32.643 14.398 ( 0.098 0.000 0.404) 0.416 15.780 ( -0.070 0.000 -0.042) 0.082 16.603 ( -5.715 0.000 31.036) 31.558 16.752 ( 0.469 0.000 -0.495) 0.681 ======================= Grid point 2 (3/203) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 9.045 0.000 -5.804) 10.747 0.492 ( 7.627 0.000 10.170) 12.713 1.093 ( 21.889 0.000 -6.173) 22.743 1.777 ( -2.091 0.000 -5.453) 5.840 2.081 ( -3.385 0.000 1.476) 3.693 2.144 ( -1.847 0.000 10.277) 10.441 2.407 ( 3.033 0.000 2.203) 3.749 2.496 ( 0.243 0.000 12.696) 12.699 2.570 ( -0.204 0.000 -2.465) 2.473 2.909 ( -0.214 0.000 2.729) 2.737 2.958 ( 0.919 0.000 0.194) 0.939 3.253 ( 0.038 0.000 -0.203) 0.207 3.368 ( 0.823 0.000 6.545) 6.596 4.192 ( -5.257 0.000 0.654) 5.298 4.434 ( -2.790 0.000 -3.056) 4.138 4.847 ( 4.533 0.000 -2.880) 5.370 6.426 ( 1.553 0.000 1.399) 2.090 7.510 ( 0.182 0.000 3.048) 3.053 7.824 ( 1.913 0.000 -12.559) 12.704 7.942 ( 1.092 0.000 -4.679) 4.805 9.570 ( -1.720 0.000 1.877) 2.545 9.582 ( 0.215 0.000 0.045) 0.220 11.404 ( -1.979 0.000 -1.184) 2.306 12.371 ( 0.537 0.000 -0.392) 0.665 12.623 ( 0.136 0.000 0.328) 0.355 13.067 ( 1.379 0.000 -15.809) 15.869 14.399 ( -0.210 0.000 0.665) 0.697 15.778 ( -0.100 0.000 -0.060) 0.116 16.594 ( -3.093 0.000 15.832) 16.131 16.756 ( 0.059 0.000 -1.024) 1.025 ======================= Grid point 3 (4/203) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 4.984 0.000 -3.265) 5.958 0.642 ( 4.055 0.000 5.339) 6.705 1.387 ( 7.888 0.000 -3.552) 8.651 1.740 ( -0.024 0.000 -2.847) 2.847 2.029 ( -1.978 0.000 1.093) 2.260 2.205 ( 5.033 0.000 4.593) 6.814 2.468 ( 2.016 0.000 2.642) 3.324 2.542 ( 0.486 0.000 6.174) 6.194 2.554 ( -0.491 0.000 -2.801) 2.843 2.903 ( -1.051 0.000 2.058) 2.310 2.976 ( 0.673 0.000 0.106) 0.681 3.253 ( 0.014 0.000 -0.137) 0.138 3.405 ( 0.696 0.000 4.810) 4.860 4.079 ( -5.326 0.000 0.217) 5.330 4.364 ( -2.314 0.000 -2.714) 3.566 4.924 ( 3.290 0.000 -2.117) 3.913 6.452 ( 0.576 0.000 1.087) 1.230 7.525 ( 0.768 0.000 -1.222) 1.444 7.836 ( 1.777 0.000 -3.645) 4.055 7.936 ( -0.406 0.000 -2.146) 2.184 9.546 ( -1.090 0.000 1.510) 1.863 9.586 ( 0.152 0.000 0.032) 0.155 11.363 ( -1.566 0.000 -0.012) 1.566 12.380 ( 0.382 0.000 -0.282) 0.475 12.627 ( 0.094 0.000 0.237) 0.255 13.050 ( 0.896 0.000 -7.365) 7.419 14.394 ( -0.375 0.000 0.542) 0.659 15.776 ( -0.071 0.000 -0.042) 0.082 16.588 ( -1.545 0.000 7.849) 8.000 16.749 ( -0.293 0.000 -1.053) 1.093 ======================= Grid point 4 (5/203) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 0.000 0.000 0.000) 0.000 0.693 ( 0.000 0.000 0.000) 0.000 1.448 ( 0.000 0.000 0.000) 0.000 1.737 ( 0.000 0.000 0.000) 0.000 2.010 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.500 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 -0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.253 ( 0.000 0.000 0.000) 0.000 3.423 ( 0.000 0.000 0.000) 0.000 4.015 ( -0.000 0.000 -0.000) 0.000 4.334 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 6.459 ( 0.000 0.000 0.000) 0.000 7.530 ( 0.000 0.000 0.000) 0.000 7.854 ( 0.000 0.000 0.000) 0.000 7.923 ( 0.000 0.000 0.000) 0.000 9.537 ( 0.000 0.000 0.000) 0.000 9.587 ( 0.000 0.000 0.000) 0.000 11.346 ( 0.000 0.000 0.000) 0.000 12.384 ( 0.000 0.000 0.000) 0.000 12.628 ( 0.000 0.000 -0.000) 0.000 13.047 ( 0.000 0.000 0.000) 0.000 14.391 ( 0.000 0.000 0.000) 0.000 15.775 ( 0.000 0.000 0.000) 0.000 16.586 ( 0.000 0.000 0.000) 0.000 16.743 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/203) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.142 ( 0.000 10.434 0.000) 10.434 0.509 ( 0.000 24.903 0.000) 24.903 0.768 ( 0.000 36.092 0.000) 36.092 1.843 ( 0.000 -0.411 0.000) 0.411 1.980 ( 0.000 -1.608 0.000) 1.608 2.306 ( 0.000 1.750 0.000) 1.750 2.484 ( 0.000 3.710 0.000) 3.710 2.522 ( 0.000 7.430 0.000) 7.430 2.837 ( 0.000 -3.899 0.000) 3.899 2.977 ( 0.000 3.226 0.000) 3.226 2.984 ( 0.000 4.659 0.000) 4.659 3.353 ( 0.000 9.862 0.000) 9.862 3.365 ( 0.000 5.250 0.000) 5.250 4.292 ( 0.000 4.586 0.000) 4.586 4.450 ( 0.000 1.103 0.000) 1.103 4.762 ( 0.000 -0.633 0.000) 0.633 6.379 ( 0.000 1.315 0.000) 1.315 6.511 ( 0.000 0.639 0.000) 0.639 7.676 ( 0.000 -20.263 0.000) 20.263 7.777 ( 0.000 -0.904 0.000) 0.904 9.584 ( 0.000 -2.306 0.000) 2.306 10.835 ( 0.000 -16.113 0.000) 16.113 12.431 ( 0.000 6.323 0.000) 6.323 12.587 ( 0.000 -6.069 0.000) 6.069 12.983 ( 0.000 -7.325 0.000) 7.325 14.302 ( 0.000 -8.669 0.000) 8.669 14.918 ( 0.000 4.286 0.000) 4.286 15.132 ( 0.000 -20.935 0.000) 20.935 16.318 ( 0.000 28.854 0.000) 28.854 16.751 ( 0.000 0.443 0.000) 0.443 ======================= Grid point 10 (7/203) ======================= q-point: ( 0.12 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 13.948 7.373 2.972) 16.054 0.592 ( 5.437 19.859 13.868) 24.825 0.862 ( 11.937 29.157 -13.039) 34.097 1.816 ( -1.447 -0.681 -4.801) 5.061 2.034 ( 2.161 -3.871 8.238) 9.356 2.248 ( -4.414 4.531 -3.001) 7.001 2.482 ( -1.769 2.574 6.860) 7.538 2.520 ( 0.264 8.909 2.718) 9.318 2.727 ( -8.500 4.263 6.197) 11.350 2.910 ( -1.850 2.712 0.685) 3.353 2.997 ( 1.012 4.839 0.122) 4.946 3.310 ( -1.892 4.468 2.103) 5.289 3.422 ( 2.095 10.359 4.292) 11.408 4.305 ( -1.975 3.020 1.856) 4.057 4.448 ( 0.830 -0.120 -2.674) 2.802 4.776 ( 1.923 -0.414 -1.565) 2.513 6.397 ( 1.532 1.144 0.784) 2.066 6.813 ( 20.150 -18.837 -4.166) 27.897 7.661 ( -0.584 -18.698 -2.610) 18.888 7.806 ( 2.654 -3.047 -1.659) 4.368 9.570 ( -1.600 -2.238 1.834) 3.306 10.777 ( -6.332 -2.096 3.162) 7.381 12.257 ( -49.616 36.579 4.694) 61.821 12.433 ( 0.264 6.176 -0.420) 6.196 12.889 ( -21.268 22.875 37.134) 48.524 13.095 ( -12.091 24.195 -91.097) 95.027 14.366 ( -0.567 -2.207 -1.020) 2.496 15.422 ( -2.034 -25.456 20.952) 33.032 16.674 ( 5.321 4.393 12.718) 14.469 16.788 ( 4.662 6.190 -2.004) 8.005 ======================= Grid point 11 (8/203) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 5.407 13.985 11.296) 18.773 0.760 ( 6.918 19.396 -0.882) 20.612 1.137 ( 15.265 8.380 -8.708) 19.470 1.762 ( -1.403 -0.200 -5.364) 5.548 2.068 ( -2.073 -1.064 8.600) 8.910 2.187 ( 0.772 4.483 -0.511) 4.578 2.470 ( -1.264 3.290 8.025) 8.765 2.559 ( 1.754 6.784 4.019) 8.078 2.634 ( -2.184 4.282 -0.820) 4.877 2.890 ( -0.949 -0.526 1.601) 1.934 3.019 ( 0.863 4.880 0.713) 5.007 3.271 ( -2.584 2.487 1.849) 4.035 3.491 ( 2.852 11.487 5.680) 13.128 4.230 ( -4.992 3.831 0.562) 6.318 4.432 ( -1.628 0.305 -3.561) 3.927 4.834 ( 4.113 -0.859 -2.551) 4.915 6.435 ( 1.516 0.953 1.383) 2.263 7.113 ( 10.087 -21.984 -3.803) 24.485 7.646 ( -0.118 -18.374 -1.456) 18.432 7.858 ( 2.892 -3.730 -3.242) 5.726 9.538 ( -2.068 -2.140 2.749) 4.051 10.612 ( -9.382 40.342 3.321) 41.551 11.415 ( -21.466 24.206 -7.831) 33.288 12.439 ( 0.530 5.896 -1.242) 6.049 12.748 ( -2.422 11.386 3.380) 12.121 12.965 ( 1.567 -9.775 -20.900) 23.126 14.358 ( -0.342 -3.686 0.172) 3.706 15.423 ( -2.196 -24.870 9.074) 26.565 16.724 ( -0.625 0.017 7.239) 7.266 16.862 ( 2.096 15.800 0.138) 15.939 ======================= Grid point 12 (9/203) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 2.875 12.457 8.519) 15.363 0.863 ( 4.105 21.847 -4.724) 22.726 1.323 ( 4.495 -3.332 -3.142) 6.417 1.740 ( 0.405 0.884 -2.909) 3.067 2.070 ( 0.670 2.850 2.325) 3.739 2.245 ( 4.025 3.480 1.625) 5.563 2.491 ( 0.197 1.518 8.111) 8.254 2.591 ( -0.337 4.775 -2.085) 5.221 2.611 ( 0.873 4.966 -0.285) 5.051 2.876 ( -0.972 -1.642 1.496) 2.424 3.034 ( 0.327 4.679 0.625) 4.732 3.223 ( -2.293 -0.131 1.042) 2.522 3.570 ( 2.815 13.465 4.258) 14.400 4.121 ( -5.118 4.293 -0.064) 6.680 4.379 ( -1.790 1.736 -2.811) 3.757 4.905 ( 2.989 -1.606 -1.874) 3.876 6.462 ( 0.596 0.914 1.096) 1.547 7.234 ( 3.533 -19.645 -2.877) 20.167 7.647 ( 0.409 -18.566 -0.028) 18.571 7.895 ( 1.610 -2.500 -2.359) 3.796 9.511 ( -1.311 -2.144 2.039) 3.236 10.472 ( -4.499 64.528 1.426) 64.700 11.151 ( -5.725 -13.761 -3.391) 15.285 12.445 ( 0.414 5.747 -0.948) 5.840 12.729 ( -0.753 7.712 1.837) 7.964 12.939 ( 0.794 -11.227 -8.789) 14.280 14.351 ( -0.347 -3.992 0.330) 4.021 15.408 ( -1.299 -25.356 3.745) 25.664 16.729 ( -0.645 -1.002 3.836) 4.017 16.887 ( 0.645 19.528 -0.034) 19.538 ======================= Grid point 13 (10/203) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 0.000 11.242 0.000) 11.242 0.896 ( 0.000 22.939 0.000) 22.939 1.352 ( 0.000 -6.349 0.000) 6.349 1.740 ( 0.000 0.972 0.000) 0.972 2.084 ( 0.000 4.623 0.000) 4.623 2.311 ( 0.000 2.321 0.000) 2.321 2.517 ( 0.000 -0.718 0.000) 0.718 2.569 ( 0.000 5.677 -0.000) 5.677 2.624 ( 0.000 5.238 0.000) 5.238 2.867 ( 0.000 -1.751 0.000) 1.751 3.038 ( 0.000 4.470 0.000) 4.470 3.198 ( 0.000 -1.389 0.000) 1.389 3.614 ( 0.000 14.906 0.000) 14.906 4.057 ( -0.000 4.378 -0.000) 4.378 4.354 ( 0.000 2.180 0.000) 2.180 4.933 ( 0.000 -1.907 0.000) 1.907 6.469 ( 0.000 0.934 0.000) 0.934 7.262 ( 0.000 -19.074 0.000) 19.074 7.653 ( 0.000 -18.627 0.000) 18.627 7.907 ( 0.000 -1.695 0.000) 1.695 9.500 ( 0.000 -2.173 0.000) 2.173 10.430 ( 0.000 69.271 0.000) 69.271 11.091 ( 0.000 -22.947 0.000) 22.947 12.448 ( 0.000 5.728 0.000) 5.728 12.725 ( 0.000 6.993 -0.000) 6.993 12.932 ( 0.000 -11.739 0.000) 11.739 14.348 ( 0.000 -4.019 0.000) 4.019 15.401 ( 0.000 -25.635 0.000) 25.635 16.728 ( 0.000 -1.360 0.000) 1.360 16.894 ( 0.000 20.739 0.000) 20.739 ======================= Grid point 18 (11/203) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 0.000 16.338 0.000) 16.338 0.984 ( 0.000 22.640 0.000) 22.640 1.386 ( 0.000 24.560 0.000) 24.560 1.903 ( 0.000 7.640 0.000) 7.640 1.991 ( 0.000 2.991 0.000) 2.991 2.318 ( 0.000 0.241 0.000) 0.241 2.542 ( 0.000 1.597 0.000) 1.597 2.701 ( 0.000 9.043 0.000) 9.043 2.748 ( 0.000 -4.720 0.000) 4.720 3.046 ( 0.000 3.295 0.000) 3.295 3.098 ( 0.000 6.293 0.000) 6.293 3.515 ( 0.000 9.247 0.000) 9.247 3.630 ( 0.000 17.281 0.000) 17.281 4.430 ( 0.000 9.071 0.000) 9.071 4.469 ( 0.000 0.570 0.000) 0.570 4.768 ( 0.000 1.777 0.000) 1.777 6.416 ( 0.000 2.271 0.000) 2.271 6.529 ( 0.000 1.046 0.000) 1.046 7.143 ( 0.000 -31.029 0.000) 31.029 7.736 ( 0.000 -3.710 0.000) 3.710 9.532 ( 0.000 -2.781 0.000) 2.781 10.397 ( 0.000 -26.709 0.000) 26.709 12.248 ( 0.000 -25.855 0.000) 25.855 12.554 ( 0.000 4.428 0.000) 4.428 12.934 ( 0.000 2.380 0.000) 2.380 14.077 ( 0.000 -13.232 0.000) 13.232 14.874 ( 0.000 -5.500 0.000) 5.500 15.014 ( 0.000 4.931 0.000) 4.931 16.766 ( 0.000 1.117 0.000) 1.117 16.813 ( 0.000 20.135 0.000) 20.135 ======================= Grid point 19 (12/203) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 13.402 10.800 3.284) 17.522 1.014 ( 1.152 21.151 9.447) 23.194 1.415 ( 3.726 22.645 -7.957) 24.290 1.873 ( -1.332 7.786 -5.713) 9.749 2.019 ( 1.514 2.158 5.234) 5.861 2.305 ( -1.473 1.956 0.264) 2.463 2.530 ( -1.029 1.559 0.233) 1.882 2.697 ( -1.907 4.697 7.847) 9.342 2.722 ( -0.974 0.905 -4.357) 4.556 2.990 ( -4.196 4.329 0.996) 6.111 3.109 ( 0.840 5.903 0.067) 5.963 3.449 ( -4.715 9.058 5.147) 11.435 3.699 ( 3.690 16.588 2.092) 17.121 4.413 ( -2.710 6.289 1.608) 7.035 4.469 ( 1.170 3.263 -3.289) 4.778 4.784 ( 1.829 1.642 -1.378) 2.818 6.430 ( 1.167 2.074 0.966) 2.569 6.636 ( 9.295 -3.739 -3.313) 10.553 7.139 ( -0.241 -30.601 0.114) 30.602 7.750 ( 1.628 -3.974 -1.456) 4.534 9.519 ( -1.520 -2.759 1.787) 3.622 10.411 ( 1.124 -26.554 1.176) 26.604 12.216 ( -4.264 -21.047 6.783) 22.521 12.553 ( -0.232 4.255 0.246) 4.268 12.912 ( -0.726 2.295 -8.230) 8.575 13.825 ( -26.872 10.266 -20.470) 35.306 14.448 ( -14.528 14.907 -18.048) 27.551 15.050 ( -5.086 -9.917 29.763) 31.781 16.717 ( -1.546 1.412 3.287) 3.897 17.002 ( 9.921 12.159 -0.462) 15.700 ======================= Grid point 20 (13/203) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 10.796 8.617 0.576) 13.825 1.091 ( 2.593 17.196 11.845) 21.041 1.451 ( 1.775 16.837 -9.142) 19.240 1.833 ( -0.177 8.591 -5.897) 10.422 2.079 ( 1.801 2.479 7.499) 8.101 2.273 ( -0.388 3.876 -1.153) 4.062 2.512 ( -1.269 0.856 4.286) 4.551 2.674 ( -0.425 -0.371 -2.164) 2.236 2.715 ( -0.039 7.167 2.952) 7.751 2.919 ( -2.689 3.751 0.119) 4.617 3.127 ( 0.513 5.412 1.287) 5.586 3.367 ( -5.005 6.897 4.380) 9.582 3.783 ( 3.642 16.757 4.283) 17.675 4.342 ( -4.093 6.828 0.250) 7.965 4.473 ( -0.014 4.713 -3.439) 5.834 4.830 ( 2.935 0.680 -1.951) 3.589 6.462 ( 1.220 1.599 1.617) 2.581 6.806 ( 7.005 -11.549 -4.946) 14.384 7.147 ( 1.149 -27.913 0.982) 27.954 7.788 ( 2.449 -4.539 -2.091) 5.565 9.488 ( -2.002 -2.717 2.570) 4.242 10.452 ( 2.194 -27.148 1.992) 27.309 12.118 ( -8.808 3.278 13.482) 16.435 12.544 ( -0.037 3.225 -3.895) 5.057 12.832 ( -1.922 3.393 -29.681) 29.936 13.142 ( -23.914 30.078 -1.804) 38.468 14.296 ( -2.146 0.076 -1.978) 2.920 15.036 ( -3.511 -11.814 14.406) 18.958 16.706 ( -0.883 -0.780 3.117) 3.332 17.153 ( 4.957 11.946 0.227) 12.936 ======================= Grid point 21 (14/203) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 4.493 11.399 0.044) 12.252 1.201 ( 4.380 11.893 7.762) 14.863 1.409 ( -2.761 12.251 -6.255) 14.029 1.820 ( 0.071 7.917 -2.877) 8.424 2.138 ( 1.808 4.395 3.657) 5.997 2.310 ( 3.865 2.692 -1.018) 4.819 2.509 ( -1.088 0.058 6.387) 6.479 2.667 ( 1.083 1.530 -7.056) 7.301 2.721 ( -0.872 4.288 4.434) 6.230 2.878 ( -1.302 3.253 -0.124) 3.506 3.134 ( -0.310 4.703 1.209) 4.866 3.285 ( -3.553 6.254 2.272) 7.543 3.880 ( 4.027 16.576 4.086) 17.541 4.253 ( -4.177 8.663 -1.107) 9.681 4.451 ( -0.766 6.145 -2.229) 6.582 4.878 ( 2.074 -0.645 -1.385) 2.575 6.485 ( 0.521 1.336 1.309) 1.942 6.873 ( 1.642 -18.777 -3.529) 19.176 7.191 ( 2.247 -22.602 0.753) 22.726 7.827 ( 1.760 -4.965 -1.429) 5.458 9.461 ( -1.301 -2.696 1.846) 3.517 10.504 ( 1.943 -29.671 1.657) 29.780 11.965 ( -8.585 48.329 9.243) 49.949 12.525 ( 1.842 -6.940 -16.843) 18.309 12.641 ( -4.745 0.781 -13.378) 14.216 12.919 ( -4.981 8.878 10.114) 14.350 14.267 ( -0.700 -2.727 -0.336) 2.835 15.015 ( -1.900 -12.019 6.064) 13.595 16.699 ( -0.619 -1.461 1.869) 2.451 17.224 ( 2.100 13.114 0.245) 13.284 ======================= Grid point 22 (15/203) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 0.000 12.549 0.000) 12.549 1.307 ( -0.000 3.843 -0.000) 3.843 1.321 ( 0.000 17.627 0.000) 17.627 1.815 ( 0.000 7.213 0.000) 7.213 2.165 ( 0.000 4.386 0.000) 4.386 2.368 ( 0.000 2.457 0.000) 2.457 2.505 ( 0.000 -0.655 0.000) 0.655 2.665 ( 0.000 2.758 0.000) 2.758 2.716 ( 0.000 1.914 0.000) 1.914 2.864 ( 0.000 3.390 0.000) 3.390 3.131 ( 0.000 4.229 0.000) 4.229 3.252 ( 0.000 6.615 0.000) 6.615 3.942 ( 0.000 16.791 0.000) 16.791 4.194 ( -0.000 9.305 -0.000) 9.305 4.438 ( 0.000 6.784 0.000) 6.784 4.898 ( 0.000 -1.207 0.000) 1.207 6.493 ( 0.000 1.304 0.000) 1.304 6.879 ( 0.000 -21.228 0.000) 21.228 7.219 ( 0.000 -20.585 0.000) 20.585 7.844 ( 0.000 -5.093 0.000) 5.093 9.450 ( 0.000 -2.695 0.000) 2.695 10.530 ( 0.000 -31.524 0.000) 31.524 11.885 ( 0.000 66.768 0.000) 66.768 12.511 ( 0.000 -26.423 -0.000) 26.423 12.577 ( -0.000 7.419 0.000) 7.419 12.890 ( 0.000 5.942 -0.000) 5.942 14.260 ( 0.000 -3.237 0.000) 3.237 15.005 ( 0.000 -11.990 0.000) 11.990 16.696 ( 0.000 -1.609 0.000) 1.609 17.246 ( 0.000 13.607 0.000) 13.607 ======================= Grid point 27 (16/203) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 0.000 19.241 0.000) 19.241 1.410 ( 0.000 20.059 0.000) 20.059 1.748 ( 0.000 13.603 0.000) 13.603 2.090 ( 0.000 6.020 0.000) 6.020 2.123 ( 0.000 11.617 0.000) 11.617 2.342 ( 0.000 2.934 0.000) 2.934 2.542 ( 0.000 -1.747 0.000) 1.747 2.665 ( 0.000 -2.971 0.000) 2.971 2.853 ( 0.000 5.901 0.000) 5.901 3.097 ( 0.000 1.786 0.000) 1.786 3.221 ( 0.000 5.952 0.000) 5.952 3.688 ( 0.000 6.529 0.000) 6.529 4.008 ( 0.000 19.744 0.000) 19.744 4.495 ( 0.000 3.256 0.000) 3.256 4.641 ( 0.000 11.524 0.000) 11.524 4.836 ( 0.000 4.610 0.000) 4.610 6.435 ( 0.000 -7.587 0.000) 7.587 6.550 ( 0.000 0.960 0.000) 0.960 6.562 ( 0.000 -17.732 0.000) 17.732 7.606 ( 0.000 -9.866 0.000) 9.866 9.471 ( 0.000 -3.488 0.000) 3.488 9.822 ( 0.000 -29.239 0.000) 29.239 11.719 ( 0.000 -24.120 0.000) 24.120 12.549 ( 0.000 -6.179 0.000) 6.179 13.018 ( 0.000 5.277 0.000) 5.277 13.807 ( 0.000 -12.839 0.000) 12.839 14.858 ( 0.000 2.503 0.000) 2.503 15.104 ( 0.000 3.779 0.000) 3.779 16.799 ( 0.000 2.301 0.000) 2.301 17.113 ( 0.000 10.009 0.000) 10.009 ======================= Grid point 28 (17/203) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 8.240 16.429 4.435) 18.907 1.417 ( -0.451 19.131 6.843) 20.323 1.747 ( 0.617 12.762 -5.537) 13.925 2.096 ( -1.174 7.933 1.873) 8.235 2.108 ( 1.511 9.614 -5.300) 11.081 2.355 ( 0.129 3.586 3.178) 4.794 2.529 ( -1.159 -1.863 -0.617) 2.279 2.652 ( -0.738 -2.175 -0.470) 2.345 2.845 ( -0.983 5.089 0.521) 5.210 3.067 ( -2.454 3.063 0.121) 3.927 3.221 ( -0.036 5.344 0.221) 5.349 3.622 ( -5.834 6.860 4.209) 9.940 4.057 ( 3.449 18.618 0.599) 18.944 4.491 ( -0.367 4.457 -0.116) 4.473 4.642 ( 0.169 11.333 -0.310) 11.338 4.845 ( 0.995 4.145 -1.001) 4.379 6.436 ( -0.160 -11.686 0.536) 11.699 6.526 ( -0.318 -8.187 -3.050) 8.742 6.643 ( 5.858 -6.545 0.716) 8.813 7.617 ( 1.065 -10.070 -0.521) 10.139 9.458 ( -1.438 -3.478 1.623) 4.099 9.834 ( 1.026 -29.234 0.236) 29.253 11.730 ( 1.053 -23.498 1.347) 23.560 12.546 ( -0.427 -6.117 0.547) 6.156 13.002 ( -0.782 5.613 -4.048) 6.964 13.744 ( -5.996 -9.872 -3.205) 11.987 14.758 ( -6.784 11.559 -24.280) 27.733 15.003 ( -9.970 3.553 26.949) 28.953 16.757 ( -2.976 2.809 1.545) 4.374 17.201 ( 6.401 6.973 0.038) 9.466 ======================= Grid point 29 (18/203) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 8.806 12.804 2.905) 15.809 1.440 ( -0.123 17.113 9.342) 19.497 1.721 ( -1.188 11.768 -6.882) 13.684 2.061 ( -1.095 10.973 -4.275) 11.827 2.164 ( 3.662 5.827 2.276) 7.248 2.352 ( -1.114 4.346 2.018) 4.920 2.503 ( -0.938 -1.498 0.970) 2.016 2.645 ( 0.440 -1.906 -2.073) 2.850 2.814 ( -2.221 2.866 0.619) 3.678 3.020 ( -1.677 5.220 -0.426) 5.499 3.221 ( -0.364 4.160 1.173) 4.337 3.512 ( -5.821 6.488 4.476) 9.799 4.130 ( 3.205 17.567 2.215) 17.994 4.478 ( -0.828 7.337 -0.961) 7.445 4.642 ( -0.073 11.299 -0.537) 11.312 4.866 ( 1.378 2.858 -1.355) 3.450 6.425 ( -1.029 -20.393 -0.153) 20.420 6.516 ( 0.059 -2.589 -1.360) 2.925 6.781 ( 6.829 -7.173 -0.813) 9.937 7.643 ( 1.605 -10.629 -0.699) 10.772 9.430 ( -1.778 -3.249 2.146) 4.280 9.861 ( 1.316 -29.550 0.553) 29.585 11.783 ( 3.479 -22.731 2.978) 23.187 12.533 ( -1.052 -5.903 0.136) 5.998 12.966 ( -0.304 6.875 -8.638) 11.044 13.524 ( -13.680 3.106 -3.196) 14.388 14.507 ( -8.351 19.896 -9.743) 23.675 14.939 ( -4.443 0.661 15.680) 16.310 16.713 ( -1.895 1.841 1.990) 3.308 17.323 ( 4.986 5.100 0.203) 7.136 ======================= Grid point 30 (19/203) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 5.692 11.396 0.258) 12.741 1.476 ( 0.558 15.024 8.176) 17.113 1.655 ( -2.662 11.759 -6.077) 13.502 2.023 ( -1.252 10.469 -2.297) 10.791 2.250 ( 2.741 6.577 2.690) 7.616 2.356 ( 1.961 2.058 -0.194) 2.849 2.495 ( -0.798 -1.144 2.480) 2.845 2.652 ( 1.209 -2.268 -3.065) 4.000 2.757 ( -3.509 0.186 0.910) 3.630 2.998 ( -0.378 6.719 -0.859) 6.784 3.209 ( -1.095 3.152 1.203) 3.547 3.433 ( -2.869 7.130 2.744) 8.160 4.206 ( 3.146 15.902 2.577) 16.414 4.446 ( -1.709 10.456 -1.777) 10.743 4.637 ( -0.230 11.882 -0.289) 11.888 4.887 ( 0.904 1.450 -0.937) 1.949 6.399 ( -1.048 -24.368 -0.551) 24.397 6.515 ( 0.034 0.314 -0.158) 0.353 6.894 ( 4.114 -8.541 -0.899) 9.523 7.671 ( 1.167 -11.264 -0.439) 11.333 9.405 ( -1.105 -2.868 1.440) 3.394 9.886 ( 0.822 -30.122 0.505) 30.137 11.884 ( 4.367 -24.452 3.698) 25.112 12.503 ( -1.511 -4.571 -1.525) 5.050 12.947 ( 2.654 9.600 -12.421) 15.921 13.223 ( -13.941 16.867 4.593) 22.359 14.375 ( -2.997 16.737 -2.340) 17.164 14.913 ( -1.992 0.234 6.581) 6.880 16.689 ( -0.961 1.041 1.324) 1.939 17.402 ( 2.554 4.886 0.182) 5.516 ======================= Grid point 31 (20/203) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 0.000 11.621 0.000) 11.621 1.508 ( -0.000 13.900 -0.000) 13.900 1.601 ( 0.000 11.688 0.000) 11.688 2.004 ( 0.000 10.226 0.000) 10.226 2.278 ( 0.000 6.944 -0.000) 6.944 2.400 ( 0.000 0.973 0.000) 0.973 2.483 ( 0.000 -1.625 0.000) 1.625 2.680 ( 0.000 -0.498 -0.000) 0.498 2.693 ( -0.000 -2.702 0.000) 2.702 2.993 ( 0.000 7.263 -0.000) 7.263 3.197 ( 0.000 2.774 0.000) 2.774 3.410 ( 0.000 7.622 0.000) 7.622 4.253 ( 0.000 14.429 0.000) 14.429 4.416 ( 0.000 12.371 -0.000) 12.371 4.634 ( 0.000 12.270 0.000) 12.270 4.895 ( 0.000 0.855 0.000) 0.855 6.386 ( 0.000 -25.063 0.000) 25.063 6.515 ( 0.000 0.785 -0.000) 0.785 6.936 ( 0.000 -9.041 0.000) 9.041 7.683 ( 0.000 -11.541 0.000) 11.541 9.396 ( 0.000 -2.689 0.000) 2.689 9.896 ( 0.000 -30.388 0.000) 30.388 11.945 ( 0.000 -27.224 -0.000) 27.224 12.478 ( 0.000 -2.323 0.000) 2.323 12.994 ( -0.000 4.526 0.000) 4.526 13.039 ( 0.000 27.778 -0.000) 27.778 14.343 ( 0.000 15.209 0.000) 15.209 14.904 ( 0.000 0.193 0.000) 0.193 16.682 ( 0.000 0.801 0.000) 0.801 17.429 ( 0.000 4.939 0.000) 4.939 ======================= Grid point 36 (21/203) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 0.000 19.285 0.000) 19.285 1.785 ( 0.000 17.466 0.000) 17.466 1.978 ( 0.000 9.182 0.000) 9.182 2.185 ( 0.000 2.964 0.000) 2.964 2.269 ( 0.000 1.539 0.000) 1.539 2.464 ( 0.000 9.065 0.000) 9.065 2.486 ( 0.000 -2.477 0.000) 2.477 2.643 ( 0.000 0.617 0.000) 0.617 2.937 ( 0.000 2.729 0.000) 2.729 3.116 ( 0.000 -0.035 0.000) 0.035 3.336 ( 0.000 5.597 0.000) 5.597 3.736 ( 0.000 -1.499 0.000) 1.499 4.384 ( 0.000 17.240 0.000) 17.240 4.620 ( 0.000 8.540 0.000) 8.540 4.863 ( 0.000 10.125 0.000) 10.125 4.930 ( 0.000 4.491 0.000) 4.491 6.078 ( 0.000 -13.094 0.000) 13.094 6.550 ( 0.000 2.877 0.000) 2.877 6.560 ( 0.000 -0.126 0.000) 0.126 7.324 ( 0.000 -18.469 0.000) 18.469 9.312 ( 0.000 -19.970 0.000) 19.970 9.385 ( 0.000 -5.310 0.000) 5.310 11.354 ( 0.000 -11.800 0.000) 11.800 12.287 ( 0.000 -19.393 0.000) 19.393 13.131 ( 0.000 5.889 0.000) 5.889 13.597 ( 0.000 -8.066 0.000) 8.066 14.936 ( 0.000 4.757 0.000) 4.757 15.158 ( 0.000 1.519 0.000) 1.519 16.862 ( 0.000 4.084 0.000) 4.084 17.224 ( 0.000 1.507 0.000) 1.507 ======================= Grid point 37 (22/203) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 4.972 17.615 4.034) 18.742 1.774 ( -1.962 16.511 6.614) 17.895 1.972 ( 0.299 9.408 -5.670) 10.989 2.179 ( -0.241 2.003 0.284) 2.037 2.281 ( 0.910 3.847 -0.684) 4.012 2.459 ( -1.218 3.623 1.490) 4.102 2.486 ( 0.884 2.296 -2.290) 3.361 2.634 ( -0.999 0.340 0.902) 1.389 2.915 ( -2.212 2.160 -0.180) 3.097 3.101 ( -1.040 0.233 -0.418) 1.145 3.329 ( -0.428 5.607 -0.743) 5.673 3.687 ( -4.338 -0.226 1.209) 4.509 4.413 ( 2.279 16.401 0.254) 16.560 4.629 ( 0.720 8.758 0.664) 8.812 4.863 ( -0.187 9.896 1.197) 9.970 4.933 ( 0.366 4.481 -0.948) 4.595 6.067 ( -0.948 -12.857 -0.496) 12.902 6.540 ( -0.524 1.752 0.638) 1.937 6.608 ( 4.068 -0.555 -2.032) 4.581 7.330 ( 0.534 -18.638 0.371) 18.650 9.314 ( -0.088 -17.959 1.840) 18.053 9.387 ( 0.249 -6.847 -0.667) 6.884 11.367 ( 1.411 -11.939 -0.100) 12.022 12.288 ( -0.134 -19.121 0.938) 19.144 13.118 ( -0.900 5.871 -1.588) 6.149 13.562 ( -3.120 -7.488 -1.209) 8.202 14.919 ( -0.187 6.144 -9.336) 11.178 15.102 ( -6.600 4.340 11.821) 14.218 16.835 ( -2.309 5.093 1.028) 5.686 17.271 ( 3.882 0.221 0.399) 3.909 ======================= Grid point 38 (23/203) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 6.027 14.577 3.817) 16.229 1.761 ( -1.875 14.651 8.919) 17.254 1.944 ( -0.912 9.920 -7.352) 12.381 2.185 ( 0.365 2.092 1.264) 2.471 2.299 ( 1.596 5.509 -1.200) 5.859 2.428 ( -1.443 1.503 -0.965) 2.296 2.502 ( 0.649 3.906 -0.269) 3.969 2.614 ( -1.163 -0.530 1.363) 1.868 2.846 ( -4.116 0.741 -0.721) 4.244 3.082 ( -0.545 0.498 -0.393) 0.836 3.316 ( -0.676 5.601 -0.792) 5.697 3.595 ( -4.428 1.717 1.737) 5.057 4.463 ( 2.251 15.348 0.944) 15.541 4.650 ( 0.941 9.407 0.116) 9.455 4.866 ( -0.070 9.734 1.758) 9.892 4.936 ( 0.200 4.113 -1.394) 4.347 6.040 ( -1.239 -12.279 -0.877) 12.373 6.531 ( -0.631 0.618 1.043) 1.367 6.697 ( 4.927 -2.671 -2.813) 6.271 7.346 ( 0.767 -19.101 0.586) 19.125 9.322 ( 0.076 -13.027 2.589) 13.282 9.389 ( 0.226 -10.659 -0.925) 10.702 11.413 ( 3.017 -12.760 -0.013) 13.112 12.285 ( -0.592 -18.430 1.109) 18.473 13.090 ( -0.858 5.700 -2.688) 6.360 13.464 ( -5.659 -5.057 -1.318) 7.703 14.860 ( -1.448 12.416 -12.660) 17.791 15.015 ( -6.011 5.970 16.598) 18.635 16.792 ( -2.098 6.163 1.472) 6.674 17.359 ( 4.011 -1.303 0.504) 4.248 ======================= Grid point 39 (24/203) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 4.664 12.381 1.621) 13.329 1.763 ( -0.790 12.984 8.851) 15.734 1.880 ( -2.551 10.320 -7.796) 13.182 2.186 ( -0.429 5.396 -0.260) 5.419 2.358 ( 3.653 2.359 2.309) 4.923 2.405 ( -0.211 2.772 -1.895) 3.365 2.497 ( -1.152 2.848 -0.482) 3.110 2.607 ( 0.418 -1.222 1.241) 1.791 2.750 ( -4.705 -0.512 -0.710) 4.786 3.076 ( 0.004 0.309 -0.455) 0.550 3.295 ( -1.041 5.884 -0.389) 5.988 3.535 ( -1.908 2.885 1.299) 3.694 4.509 ( 1.716 14.247 1.046) 14.388 4.661 ( 0.181 10.548 -0.503) 10.562 4.872 ( 0.135 10.254 1.542) 10.370 4.932 ( -0.085 3.184 -1.234) 3.416 6.015 ( -0.826 -11.614 -0.717) 11.665 6.522 ( -0.514 -0.391 0.828) 1.050 6.774 ( 3.103 -4.322 -2.008) 5.687 7.362 ( 0.536 -19.618 0.472) 19.631 9.333 ( 0.214 -6.892 1.972) 7.172 9.389 ( 0.038 -15.699 -0.791) 15.719 11.478 ( 2.805 -14.333 0.079) 14.606 12.273 ( -0.717 -17.589 0.554) 17.612 13.074 ( 0.274 4.899 -2.473) 5.494 13.341 ( -5.349 -0.868 -0.233) 5.424 14.795 ( -1.211 18.973 -5.907) 19.908 14.971 ( -2.833 4.734 8.884) 10.458 16.762 ( -1.146 6.584 1.032) 6.762 17.428 ( 2.342 -1.986 0.332) 3.089 ======================= Grid point 40 (25/203) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 0.000 11.706 0.000) 11.706 1.795 ( -0.000 14.106 -0.000) 14.106 1.808 ( 0.000 8.557 0.000) 8.557 2.179 ( 0.000 6.848 0.000) 6.848 2.395 ( 0.000 1.337 0.000) 1.337 2.441 ( 0.000 -2.416 -0.000) 2.416 2.454 ( 0.000 7.463 -0.000) 7.463 2.637 ( 0.000 -2.624 0.000) 2.624 2.672 ( 0.000 0.346 0.000) 0.346 3.075 ( 0.000 0.063 -0.000) 0.063 3.281 ( 0.000 6.154 0.000) 6.154 3.519 ( 0.000 3.169 0.000) 3.169 4.532 ( 0.000 13.475 -0.000) 13.475 4.660 ( 0.000 11.344 0.000) 11.344 4.878 ( 0.000 10.969 0.000) 10.969 4.927 ( 0.000 2.351 -0.000) 2.351 6.005 ( 0.000 -11.302 0.000) 11.302 6.518 ( 0.000 -0.763 0.000) 0.763 6.804 ( 0.000 -4.904 -0.000) 4.904 7.369 ( 0.000 -19.842 0.000) 19.842 9.340 ( 0.000 -3.095 -0.000) 3.095 9.387 ( 0.000 -19.048 0.000) 19.048 11.511 ( 0.000 -15.236 0.000) 15.236 12.266 ( 0.000 -17.145 0.000) 17.145 13.077 ( 0.000 3.839 0.000) 3.839 13.277 ( 0.000 1.831 0.000) 1.831 14.773 ( 0.000 21.151 0.000) 21.151 14.957 ( 0.000 4.192 0.000) 4.192 16.752 ( 0.000 6.684 0.000) 6.684 17.453 ( 0.000 -2.162 0.000) 2.162 ======================= Grid point 45 (26/203) ======================= q-point: ( 0.00 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 0.000 17.310 0.000) 17.310 2.055 ( 0.000 -4.134 0.000) 4.134 2.097 ( 0.000 13.429 0.000) 13.429 2.221 ( 0.000 1.170 0.000) 1.170 2.222 ( 0.000 -1.947 0.000) 1.947 2.448 ( 0.000 -3.129 0.000) 3.129 2.652 ( 0.000 8.156 0.000) 8.156 2.686 ( 0.000 3.423 0.000) 3.423 2.975 ( 0.000 1.679 0.000) 1.679 3.092 ( 0.000 -2.362 0.000) 2.362 3.446 ( 0.000 5.461 0.000) 5.461 3.662 ( 0.000 -5.036 0.000) 5.036 4.672 ( 0.000 11.166 0.000) 11.166 4.779 ( 0.000 5.936 0.000) 5.936 5.010 ( 0.000 3.519 0.000) 3.519 5.020 ( 0.000 5.152 0.000) 5.152 6.006 ( 0.000 5.656 0.000) 5.656 6.519 ( 0.000 -5.709 0.000) 5.709 6.607 ( 0.000 2.854 0.000) 2.854 6.912 ( 0.000 -19.901 0.000) 19.901 9.072 ( 0.000 -4.090 0.000) 4.090 9.256 ( 0.000 -7.501 0.000) 7.501 11.260 ( 0.000 2.393 0.000) 2.393 11.842 ( 0.000 -23.109 0.000) 23.109 13.249 ( 0.000 5.791 0.000) 5.791 13.467 ( 0.000 -5.522 0.000) 5.522 15.032 ( 0.000 4.669 0.000) 4.669 15.161 ( 0.000 -1.164 0.000) 1.164 16.962 ( 0.000 5.843 0.000) 5.843 17.193 ( 0.000 -4.002 0.000) 4.002 ======================= Grid point 46 (27/203) ======================= q-point: ( 0.12 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 2.616 16.005 3.060) 16.504 2.028 ( -3.619 1.568 7.595) 8.558 2.092 ( 0.433 6.406 -4.148) 7.644 2.200 ( 0.100 2.792 -2.152) 3.527 2.271 ( 1.935 -2.091 3.651) 4.631 2.442 ( -0.267 -2.921 -1.526) 3.307 2.642 ( -0.356 7.156 -5.106) 8.798 2.679 ( -1.141 4.074 4.036) 5.847 2.947 ( -2.813 1.630 0.028) 3.251 3.077 ( -1.231 -2.608 -0.376) 2.908 3.442 ( -0.055 5.545 -1.954) 5.880 3.640 ( -1.845 -3.913 -1.168) 4.481 4.689 ( 1.354 10.780 0.530) 10.878 4.790 ( 0.831 6.010 1.042) 6.156 5.000 ( -0.839 4.190 1.624) 4.571 5.030 ( 0.636 4.451 -0.575) 4.533 5.998 ( -0.722 5.720 -0.083) 5.766 6.517 ( -0.333 -6.012 -0.728) 6.066 6.620 ( 1.577 1.988 -1.063) 2.752 6.918 ( 0.389 -19.726 0.733) 19.743 9.083 ( 1.012 -3.969 0.542) 4.132 9.259 ( 0.209 -7.105 0.247) 7.112 11.269 ( 1.007 2.223 -0.151) 2.446 11.848 ( 0.321 -22.963 0.780) 22.978 13.233 ( -1.335 5.555 -0.685) 5.754 13.440 ( -2.395 -5.236 -0.774) 5.809 15.029 ( 0.015 4.926 -2.004) 5.318 15.145 ( -2.213 0.020 4.823) 5.306 16.957 ( -0.583 6.922 0.922) 7.007 17.222 ( 2.397 -4.751 0.642) 5.360 ======================= Grid point 47 (28/203) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 3.182 13.040 3.279) 13.817 1.975 ( -3.790 3.159 7.512) 8.988 2.086 ( 0.137 5.716 -3.815) 6.874 2.209 ( 1.173 2.196 0.171) 2.495 2.320 ( 1.561 -1.484 3.815) 4.381 2.430 ( -0.117 -2.465 -2.286) 3.364 2.601 ( -1.413 5.163 -6.067) 8.091 2.671 ( -1.215 4.490 3.915) 6.080 2.865 ( -4.703 2.206 -0.123) 5.196 3.049 ( -1.226 -3.439 0.085) 3.652 3.432 ( -0.131 5.609 -2.656) 6.207 3.591 ( -2.135 -1.877 -1.242) 3.102 4.724 ( 1.669 10.324 0.854) 10.493 4.817 ( 1.264 6.269 1.057) 6.482 4.990 ( -0.679 4.149 1.665) 4.522 5.038 ( 0.255 4.306 -0.242) 4.321 5.980 ( -0.887 5.868 -0.242) 5.939 6.497 ( -1.296 -6.052 -0.027) 6.189 6.664 ( 2.987 -0.326 -2.483) 3.898 6.930 ( 0.399 -19.537 1.146) 19.575 9.114 ( 1.561 -3.789 0.803) 4.176 9.265 ( 0.186 -6.087 0.300) 6.097 11.300 ( 1.900 1.513 -0.194) 2.436 11.857 ( 0.215 -22.418 1.017) 22.442 13.195 ( -1.797 4.885 -1.021) 5.304 13.371 ( -3.713 -4.292 -0.958) 5.755 15.023 ( 0.509 5.592 -3.512) 6.623 15.113 ( -2.930 2.408 7.598) 8.492 16.948 ( -0.575 9.034 1.315) 9.147 17.282 ( 2.872 -6.068 0.840) 6.766 ======================= Grid point 48 (29/203) ======================= q-point: ( 0.38 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 2.639 9.996 1.719) 10.480 1.931 ( -2.554 2.209 5.321) 6.302 2.064 ( -0.803 8.717 -3.786) 9.538 2.243 ( 1.388 0.833 1.216) 2.025 2.365 ( 1.353 -0.504 4.749) 4.963 2.421 ( 0.109 -1.340 -3.514) 3.763 2.561 ( -0.132 3.026 -4.193) 5.172 2.645 ( -2.543 1.912 2.094) 3.809 2.775 ( -3.397 4.925 0.262) 5.988 3.029 ( -0.715 -4.322 0.284) 4.389 3.418 ( -0.380 5.775 -1.770) 6.052 3.554 ( -0.991 -0.721 -0.655) 1.390 4.758 ( 1.197 10.126 0.711) 10.221 4.842 ( 0.720 6.859 0.447) 6.911 4.986 ( -0.227 3.649 1.084) 3.813 5.039 ( -0.064 4.404 -0.095) 4.406 5.963 ( -0.530 6.021 -0.238) 6.049 6.472 ( -0.984 -6.262 0.239) 6.344 6.711 ( 2.134 -1.907 -2.068) 3.531 6.940 ( 0.190 -19.586 0.931) 19.609 9.147 ( 1.245 -3.836 0.618) 4.080 9.267 ( -0.003 -4.904 0.154) 4.907 11.338 ( 1.640 0.421 -0.143) 1.699 11.862 ( -0.006 -21.613 0.659) 21.623 13.161 ( -1.080 3.930 -0.783) 4.150 13.296 ( -2.955 -2.903 -0.531) 4.176 15.029 ( 1.456 5.910 -4.508) 7.575 15.081 ( -2.739 4.637 7.455) 9.197 16.943 ( -0.341 10.765 0.925) 10.810 17.335 ( 1.804 -7.028 0.559) 7.278 ======================= Grid point 49 (30/203) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 0.000 8.497 0.000) 8.497 1.913 ( 0.000 1.589 -0.000) 1.589 2.044 ( 0.000 10.437 0.000) 10.437 2.260 ( 0.000 0.658 0.000) 0.658 2.402 ( 0.000 0.095 0.000) 0.095 2.404 ( -0.000 -0.807 -0.000) 0.807 2.572 ( 0.000 2.365 -0.000) 2.365 2.597 ( -0.000 -1.249 0.000) 1.249 2.741 ( 0.000 7.285 0.000) 7.285 3.022 ( 0.000 -4.670 -0.000) 4.670 3.409 ( 0.000 5.946 0.000) 5.946 3.543 ( 0.000 -0.510 0.000) 0.510 4.773 ( 0.000 10.026 -0.000) 10.026 4.849 ( 0.000 7.248 0.000) 7.248 4.986 ( 0.000 3.314 0.000) 3.314 5.037 ( 0.000 4.509 -0.000) 4.509 5.957 ( 0.000 6.090 0.000) 6.090 6.462 ( 0.000 -6.360 0.000) 6.360 6.730 ( 0.000 -2.401 -0.000) 2.401 6.944 ( 0.000 -19.665 0.000) 19.665 9.162 ( 0.000 -3.977 0.000) 3.977 9.267 ( 0.000 -4.309 0.000) 4.309 11.357 ( 0.000 -0.132 0.000) 0.132 11.863 ( 0.000 -21.204 0.000) 21.204 13.148 ( 0.000 3.350 0.000) 3.350 13.261 ( 0.000 -2.115 0.000) 2.115 15.045 ( 0.000 4.196 -0.000) 4.196 15.056 ( 0.000 7.281 0.000) 7.281 16.941 ( 0.000 11.411 0.000) 11.411 17.355 ( 0.000 -7.368 0.000) 7.368 ======================= Grid point 54 (31/203) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 0.000 -14.153 0.000) 14.153 1.846 ( 0.000 14.153 0.000) 14.153 2.220 ( 0.000 -0.018 0.000) 0.018 2.220 ( 0.000 0.018 0.000) 0.018 2.330 ( 0.000 -8.516 0.000) 8.516 2.330 ( 0.000 8.516 0.000) 8.516 2.736 ( 0.000 -0.070 0.000) 0.070 2.736 ( 0.000 0.070 0.000) 0.070 3.028 ( 0.000 -3.573 0.000) 3.573 3.028 ( 0.000 3.573 0.000) 3.573 3.555 ( 0.000 -5.490 0.000) 5.490 3.555 ( 0.000 5.490 0.000) 5.490 4.815 ( 0.000 -2.789 0.000) 2.789 4.815 ( 0.000 2.789 0.000) 2.789 5.061 ( 0.000 -0.890 0.000) 0.890 5.061 ( 0.000 0.890 0.000) 0.890 6.258 ( 0.000 -17.303 0.000) 17.303 6.258 ( 0.000 17.303 0.000) 17.303 6.675 ( 0.000 -4.962 0.000) 4.962 6.675 ( 0.000 4.962 0.000) 4.962 9.109 ( 0.000 -6.170 0.000) 6.170 9.109 ( 0.000 6.170 0.000) 6.170 11.442 ( 0.000 -15.510 0.000) 15.510 11.442 ( 0.000 15.510 0.000) 15.510 13.360 ( 0.000 -5.395 0.000) 5.395 13.360 ( 0.000 5.395 0.000) 5.395 15.115 ( 0.000 -3.389 0.000) 3.389 15.115 ( 0.000 3.389 0.000) 3.389 17.086 ( 0.000 -6.245 0.000) 6.245 17.086 ( 0.000 6.245 0.000) 6.245 ======================= Grid point 56 (32/203) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 0.546 -12.915 1.915) 13.068 1.857 ( 0.546 12.915 1.915) 13.068 2.213 ( -1.350 -3.327 4.902) 6.077 2.213 ( -1.350 3.327 4.902) 6.077 2.333 ( 0.905 -7.355 -3.438) 8.170 2.333 ( 0.905 7.355 -3.438) 8.170 2.725 ( -1.025 -1.084 -0.529) 1.583 2.725 ( -1.025 1.084 -0.529) 1.583 3.005 ( -2.050 -4.047 0.030) 4.537 3.005 ( -2.050 4.047 0.030) 4.537 3.548 ( -0.302 -5.061 -2.213) 5.532 3.548 ( -0.302 5.061 -2.213) 5.532 4.827 ( 0.982 -2.698 0.897) 3.008 4.827 ( 0.982 2.698 0.897) 3.008 5.061 ( -0.111 -1.320 0.616) 1.461 5.061 ( -0.111 1.320 0.616) 1.461 6.250 ( -0.719 -17.333 -0.111) 17.349 6.250 ( -0.719 17.333 -0.111) 17.349 6.682 ( 0.717 -5.048 -0.415) 5.116 6.682 ( 0.717 5.048 -0.415) 5.116 9.119 ( 0.882 -5.899 0.347) 5.975 9.119 ( 0.882 5.899 0.347) 5.975 11.450 ( 0.641 -15.424 0.289) 15.440 11.450 ( 0.641 15.424 0.289) 15.440 13.339 ( -1.874 -5.103 -0.563) 5.465 13.339 ( -1.874 5.103 -0.563) 5.465 15.111 ( -0.527 -3.169 1.475) 3.535 15.111 ( -0.527 3.169 1.475) 3.535 17.100 ( 1.089 -7.062 0.829) 7.194 17.100 ( 1.089 7.063 0.829) 7.194 ======================= Grid point 58 (33/203) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 0.032 -9.810 2.424) 10.105 1.872 ( 0.032 9.810 2.424) 10.105 2.207 ( -0.899 -4.279 5.151) 6.757 2.207 ( -0.899 4.280 5.151) 6.757 2.346 ( 1.538 -4.675 -2.983) 5.755 2.346 ( 1.538 4.675 -2.983) 5.755 2.687 ( -2.325 -2.634 -1.366) 3.769 2.687 ( -2.325 2.634 -1.366) 3.769 2.955 ( -2.553 -5.633 0.541) 6.208 2.955 ( -2.553 5.633 0.541) 6.208 3.530 ( -0.512 -4.090 -2.810) 4.989 3.530 ( -0.512 4.090 -2.810) 4.989 4.857 ( 1.509 -2.600 1.158) 3.221 4.857 ( 1.509 2.600 1.158) 3.221 5.060 ( -0.299 -1.991 0.813) 2.171 5.060 ( -0.299 1.991 0.813) 2.171 6.231 ( -1.018 -17.168 -0.080) 17.199 6.231 ( -1.018 17.168 -0.080) 17.199 6.699 ( 1.065 -4.593 -0.669) 4.762 6.699 ( 1.065 4.593 -0.669) 4.762 9.143 ( 1.235 -5.177 0.479) 5.344 9.143 ( 1.235 5.177 0.479) 5.344 11.469 ( 0.992 -14.964 0.397) 15.002 11.469 ( 0.992 14.964 0.397) 15.002 13.287 ( -2.728 -4.314 -0.757) 5.160 13.287 ( -2.728 4.314 -0.757) 5.160 15.106 ( -0.531 -2.615 2.104) 3.398 15.106 ( -0.531 2.615 2.104) 3.398 17.131 ( 1.406 -8.784 1.141) 8.969 17.131 ( 1.406 8.784 1.141) 8.969 ======================= Grid point 60 (34/203) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -0.188 -6.321 1.730) 6.556 1.877 ( -0.188 6.321 1.730) 6.556 2.207 ( -0.391 -4.897 1.818) 5.238 2.207 ( -0.391 4.897 1.818) 5.238 2.377 ( 1.866 -2.049 -0.186) 2.778 2.377 ( 1.866 2.049 -0.186) 2.778 2.625 ( -2.815 -2.747 -1.581) 4.239 2.625 ( -2.815 2.747 -1.581) 4.239 2.914 ( -1.464 -7.055 0.684) 7.237 2.914 ( -1.464 7.055 0.684) 7.237 3.511 ( -0.383 -3.479 -1.786) 3.929 3.511 ( -0.383 3.479 -1.786) 3.929 4.890 ( 1.148 -2.528 0.762) 2.879 4.890 ( 1.148 2.528 0.762) 2.879 5.055 ( -0.317 -2.417 0.530) 2.495 5.055 ( -0.317 2.417 0.530) 2.495 6.213 ( -0.677 -16.814 -0.012) 16.827 6.213 ( -0.677 16.814 -0.012) 16.827 6.717 ( 0.757 -3.553 -0.523) 3.670 6.717 ( 0.757 3.553 -0.523) 3.670 9.168 ( 0.863 -4.324 0.331) 4.421 9.168 ( 0.863 4.324 0.331) 4.421 11.489 ( 0.755 -14.180 0.269) 14.203 11.489 ( 0.755 14.180 0.269) 14.203 13.233 ( -1.980 -3.352 -0.505) 3.926 13.233 ( -1.980 3.352 -0.505) 3.926 15.105 ( -0.235 -1.789 1.500) 2.346 15.105 ( -0.235 1.789 1.500) 2.346 17.159 ( 0.910 -10.289 0.786) 10.359 17.159 ( 0.910 10.289 0.786) 10.359 ======================= Grid point 62 (35/203) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 0.000 -4.576 0.000) 4.576 1.878 ( 0.000 4.576 0.000) 4.576 2.205 ( 0.000 -5.648 0.000) 5.648 2.205 ( 0.000 5.648 0.000) 5.648 2.402 ( 0.000 -0.115 -0.000) 0.115 2.402 ( 0.000 0.115 0.000) 0.115 2.586 ( 0.000 -0.103 0.000) 0.103 2.586 ( 0.000 0.103 0.000) 0.103 2.901 ( 0.000 -7.447 0.000) 7.447 2.901 ( 0.000 7.447 -0.000) 7.447 3.504 ( 0.000 -3.401 0.000) 3.401 3.504 ( 0.000 3.401 0.000) 3.401 4.904 ( 0.000 -2.453 0.000) 2.453 4.904 ( 0.000 2.453 0.000) 2.453 5.052 ( 0.000 -2.511 0.000) 2.511 5.052 ( 0.000 2.511 -0.000) 2.511 6.205 ( 0.000 -16.637 0.000) 16.637 6.205 ( 0.000 16.637 0.000) 16.637 6.724 ( 0.000 -2.976 0.000) 2.976 6.724 ( 0.000 2.976 0.000) 2.976 9.178 ( 0.000 -3.915 0.000) 3.915 9.178 ( 0.000 3.915 0.000) 3.915 11.498 ( 0.000 -13.768 0.000) 13.768 11.498 ( 0.000 13.768 0.000) 13.768 13.210 ( 0.000 -2.866 0.000) 2.866 13.210 ( 0.000 2.866 0.000) 2.866 15.105 ( 0.000 -1.176 0.000) 1.176 15.105 ( 0.000 1.176 0.000) 1.176 17.170 ( 0.000 -10.872 0.000) 10.872 17.170 ( 0.000 10.872 0.000) 10.872 ======================= Grid point 117 (36/203) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.272 ( -7.594 0.000 14.191) 16.096 0.453 ( -7.503 0.000 22.933) 24.129 0.690 ( -4.440 0.000 35.100) 35.379 1.735 ( -0.858 0.000 -10.353) 10.388 2.172 ( 4.133 0.000 -8.071) 9.068 2.206 ( -0.887 0.000 -1.479) 1.725 2.290 ( 8.623 0.000 6.239) 10.644 2.642 ( -1.694 0.000 4.924) 5.208 2.940 ( 0.111 0.000 0.527) 0.538 2.949 ( -2.864 0.000 4.881) 5.660 3.031 ( 10.300 0.000 -8.837) 13.571 3.246 ( -0.043 0.000 -0.608) 0.610 3.494 ( 13.607 0.000 10.529) 17.205 4.248 ( 11.466 0.000 -5.631) 12.774 4.411 ( -0.647 0.000 -2.723) 2.799 4.751 ( -1.007 0.000 -1.958) 2.201 6.374 ( -0.811 0.000 0.816) 1.150 6.516 ( -11.040 0.000 -0.452) 11.050 7.859 ( 0.598 0.000 -2.932) 2.992 8.418 ( -12.704 0.000 -6.937) 14.475 9.623 ( -0.782 0.000 4.751) 4.815 9.753 ( -3.974 0.000 13.212) 13.797 10.965 ( -0.451 0.000 -4.049) 4.074 12.150 ( 2.492 0.000 -15.270) 15.472 12.784 ( -1.798 0.000 10.960) 11.106 14.398 ( 0.349 0.000 0.296) 0.457 14.916 ( -71.811 0.000 0.032) 71.812 15.779 ( -0.007 0.000 -0.185) 0.185 16.495 ( 33.272 0.000 -8.934) 34.451 16.878 ( 16.296 0.000 8.106) 18.200 ======================= Grid point 118 (37/203) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( -1.442 0.000 19.786) 19.838 0.525 ( 21.416 0.000 1.165) 21.448 0.784 ( 0.649 0.000 30.756) 30.763 1.686 ( -0.471 0.000 -9.525) 9.537 2.127 ( -2.509 0.000 -3.782) 4.539 2.284 ( 5.491 0.000 -4.709) 7.234 2.406 ( -0.366 0.000 7.370) 7.379 2.621 ( -1.866 0.000 4.645) 5.005 2.802 ( -10.685 0.000 4.763) 11.698 2.952 ( 0.741 0.000 0.850) 1.127 3.018 ( -2.113 0.000 4.836) 5.277 3.243 ( 0.021 0.000 -0.750) 0.750 3.535 ( -3.857 0.000 12.537) 13.117 4.323 ( -6.999 0.000 -1.772) 7.220 4.392 ( 2.345 0.000 -4.616) 5.178 4.731 ( 0.216 0.000 -3.481) 3.487 6.405 ( 2.831 0.000 1.002) 3.003 6.835 ( 28.820 0.000 -25.150) 38.251 7.830 ( -3.475 0.000 -2.057) 4.038 8.080 ( -12.652 0.000 9.446) 15.789 9.626 ( -0.628 0.000 4.787) 4.828 9.734 ( -2.235 0.000 12.418) 12.618 11.110 ( 11.391 0.000 -12.455) 16.878 12.151 ( 2.806 0.000 -15.306) 15.561 12.788 ( -1.624 0.000 10.966) 11.086 13.704 ( -41.928 0.000 42.122) 59.432 14.418 ( 0.137 0.000 1.750) 1.755 15.777 ( -0.060 0.000 -0.200) 0.209 16.619 ( 0.135 0.000 -10.057) 10.058 16.970 ( -5.345 0.000 8.050) 9.663 ======================= Grid point 119 (38/203) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 3.025 0.000 13.595) 13.927 0.868 ( 1.864 0.000 20.360) 20.445 0.989 ( 17.894 0.000 -0.775) 17.910 1.657 ( 0.707 0.000 -6.443) 6.482 2.064 ( -2.436 0.000 -3.007) 3.870 2.354 ( -5.413 0.000 9.399) 10.847 2.372 ( 4.458 0.000 -4.761) 6.522 2.601 ( -1.580 0.000 4.537) 4.804 2.680 ( -3.800 0.000 5.581) 6.752 2.973 ( 0.886 0.000 1.214) 1.503 3.005 ( -1.436 0.000 5.708) 5.886 3.242 ( 0.113 0.000 -0.869) 0.876 3.510 ( -2.474 0.000 5.940) 6.435 4.184 ( -5.674 0.000 -1.704) 5.924 4.385 ( -1.435 0.000 -0.883) 1.685 4.753 ( 3.665 0.000 -6.073) 7.093 6.466 ( 2.206 0.000 2.552) 3.374 7.205 ( 15.546 0.000 -22.367) 27.239 7.740 ( -2.547 0.000 -0.985) 2.731 7.968 ( -3.103 0.000 3.575) 4.734 9.630 ( -0.587 0.000 4.823) 4.859 9.730 ( -2.729 0.000 13.564) 13.836 11.247 ( 5.916 0.000 -10.993) 12.484 12.157 ( 3.011 0.000 -15.354) 15.646 12.793 ( -1.602 0.000 11.009) 11.125 13.306 ( -13.663 0.000 29.986) 32.952 14.422 ( -0.497 0.000 1.597) 1.672 15.775 ( -0.063 0.000 -0.184) 0.195 16.553 ( -2.371 0.000 -11.380) 11.625 16.898 ( -4.055 0.000 7.775) 8.769 ======================= Grid point 120 (39/203) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 3.272 0.000 10.302) 10.809 0.917 ( -3.178 0.000 19.216) 19.477 1.278 ( 10.223 0.000 -6.456) 12.091 1.679 ( 2.835 0.000 -3.196) 4.272 2.008 ( -1.840 0.000 -2.961) 3.487 2.314 ( -0.799 0.000 5.788) 5.842 2.427 ( 2.267 0.000 -4.840) 5.344 2.593 ( -0.630 0.000 4.691) 4.733 2.621 ( -4.062 0.000 1.490) 4.326 2.992 ( -1.971 0.000 6.337) 6.637 2.993 ( 0.474 0.000 1.477) 1.551 3.242 ( 0.202 0.000 -0.927) 0.949 3.464 ( -2.981 0.000 0.489) 3.021 4.064 ( -5.220 0.000 -1.575) 5.452 4.362 ( -0.487 0.000 2.678) 2.722 4.823 ( 4.934 0.000 -7.503) 8.980 6.503 ( 0.121 0.000 3.692) 3.694 7.363 ( 6.922 0.000 -13.396) 15.079 7.745 ( 3.407 0.000 -4.995) 6.046 7.928 ( -1.702 0.000 0.689) 1.836 9.635 ( -0.681 0.000 4.839) 4.887 9.715 ( -3.557 0.000 14.683) 15.108 11.293 ( 1.997 0.000 -6.614) 6.909 12.165 ( 2.987 0.000 -15.386) 15.673 12.798 ( -1.746 0.000 11.064) 11.201 13.245 ( -2.829 0.000 24.472) 24.635 14.410 ( -1.000 0.000 0.964) 1.388 15.774 ( -0.015 0.000 -0.146) 0.147 16.453 ( -2.609 0.000 -14.939) 15.165 16.853 ( -2.635 0.000 5.532) 6.128 ======================= Grid point 121 (40/203) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 0.722 0.000 10.480) 10.505 0.875 ( -6.757 0.000 15.603) 17.003 1.391 ( 3.696 0.000 -5.013) 6.229 1.730 ( 2.536 0.000 -0.545) 2.594 1.972 ( -0.468 0.000 -3.663) 3.692 2.309 ( -3.283 0.000 1.403) 3.570 2.429 ( -0.243 0.000 -4.531) 4.537 2.517 ( -4.998 0.000 -3.673) 6.203 2.608 ( 0.393 0.000 4.499) 4.516 2.968 ( -2.442 0.000 6.852) 7.274 3.000 ( -0.365 0.000 1.499) 1.543 3.244 ( 0.284 0.000 -0.862) 0.908 3.392 ( -3.557 0.000 -2.497) 4.346 3.996 ( 0.084 0.000 -1.698) 1.700 4.386 ( 1.290 0.000 4.492) 4.674 4.884 ( 3.076 0.000 -6.772) 7.438 6.499 ( -1.564 0.000 3.791) 4.101 7.429 ( 3.573 0.000 -9.635) 10.276 7.805 ( 3.284 0.000 -5.183) 6.136 7.915 ( 0.956 0.000 -0.157) 0.969 9.636 ( -0.855 0.000 4.825) 4.900 9.692 ( -3.541 0.000 14.932) 15.346 11.298 ( 0.688 0.000 -5.026) 5.073 12.170 ( 2.748 0.000 -15.384) 15.627 12.799 ( -1.973 0.000 11.099) 11.273 13.330 ( 1.892 0.000 27.324) 27.390 14.394 ( -0.546 0.000 0.355) 0.652 15.774 ( 0.057 0.000 -0.109) 0.122 16.348 ( -1.658 0.000 -19.122) 19.193 16.826 ( -1.641 0.000 3.771) 4.113 ======================= Grid point 122 (41/203) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -3.296 0.000 13.085) 13.494 0.756 ( -9.544 0.000 13.902) 16.863 1.403 ( -2.421 0.000 -1.264) 2.731 1.784 ( 2.624 0.000 1.846) 3.208 1.968 ( 1.667 0.000 -4.873) 5.150 2.161 ( -9.116 0.000 0.034) 9.116 2.392 ( -1.674 0.000 -4.304) 4.618 2.403 ( -4.658 0.000 -7.223) 8.595 2.633 ( 0.338 0.000 4.465) 4.478 2.950 ( -1.457 0.000 6.304) 6.470 2.988 ( -1.145 0.000 1.211) 1.666 3.247 ( 0.273 0.000 -0.676) 0.730 3.314 ( -2.464 0.000 -3.661) 4.413 4.053 ( 5.263 0.000 -2.533) 5.841 4.436 ( 1.842 0.000 3.898) 4.312 4.894 ( -0.180 0.000 -4.742) 4.745 6.470 ( -2.329 0.000 2.785) 3.630 7.427 ( -0.919 0.000 -9.732) 9.776 7.835 ( 1.480 0.000 -3.258) 3.578 7.981 ( 5.332 0.000 1.008) 5.427 9.633 ( -1.008 0.000 4.790) 4.894 9.682 ( -2.329 0.000 14.885) 15.066 11.292 ( 0.745 0.000 -6.868) 6.909 12.169 ( 2.433 0.000 -15.349) 15.541 12.795 ( -2.147 0.000 11.094) 11.300 13.520 ( 6.020 0.000 37.605) 38.084 14.394 ( 0.340 0.000 0.714) 0.790 15.775 ( 0.110 0.000 -0.093) 0.144 16.249 ( -0.784 0.000 -23.274) 23.287 16.808 ( -1.251 0.000 2.197) 2.528 ======================= Grid point 123 (42/203) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -10.117 0.000 15.795) 18.757 0.667 ( -7.256 0.000 16.832) 18.330 1.220 ( -16.712 0.000 7.672) 18.389 1.833 ( 0.141 0.000 -0.034) 0.145 2.007 ( 3.885 0.000 -5.935) 7.093 2.055 ( 0.496 0.000 0.862) 0.994 2.298 ( -1.083 0.000 -4.981) 5.098 2.335 ( -2.374 0.000 -4.219) 4.841 2.650 ( -0.292 0.000 4.772) 4.781 2.950 ( -0.736 0.000 6.283) 6.326 2.965 ( -1.315 0.000 0.766) 1.522 3.249 ( 0.135 0.000 -0.518) 0.536 3.278 ( 0.056 0.000 -2.607) 2.607 4.153 ( 4.735 0.000 -3.599) 5.947 4.474 ( 0.598 0.000 0.808) 1.005 4.848 ( -2.712 0.000 -2.407) 3.626 6.426 ( -2.534 0.000 1.529) 2.960 7.309 ( -7.007 0.000 -13.039) 14.803 7.848 ( 0.877 0.000 -3.297) 3.412 8.145 ( 9.596 0.000 4.475) 10.588 9.629 ( -1.050 0.000 4.753) 4.868 9.703 ( -0.834 0.000 15.118) 15.141 11.269 ( -0.395 0.000 -11.532) 11.539 12.163 ( 2.227 0.000 -15.301) 15.462 12.789 ( -2.167 0.000 11.050) 11.261 13.896 ( 16.622 0.000 55.214) 57.661 14.416 ( 1.298 0.000 4.745) 4.919 15.777 ( 0.114 0.000 -0.109) 0.158 16.137 ( -2.151 0.000 -27.941) 28.023 16.787 ( -1.350 0.000 0.942) 1.646 ======================= Grid point 124 (43/203) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -9.355 0.000 16.552) 19.013 0.558 ( -9.341 0.000 20.665) 22.678 0.846 ( -21.002 0.000 21.937) 30.369 1.793 ( -1.538 0.000 -7.410) 7.568 2.082 ( 5.405 0.000 -6.490) 8.446 2.105 ( 3.372 0.000 8.354) 9.009 2.268 ( -2.668 0.000 -3.788) 4.633 2.487 ( 20.702 0.000 10.559) 23.240 2.654 ( -1.086 0.000 5.015) 5.131 2.945 ( -0.754 0.000 0.465) 0.886 2.958 ( -0.851 0.000 6.647) 6.701 3.249 ( -0.008 0.000 -0.503) 0.503 3.295 ( 2.133 0.000 1.202) 2.449 4.203 ( 1.195 0.000 -4.935) 5.078 4.453 ( -2.178 0.000 -2.083) 3.014 4.787 ( -2.159 0.000 -1.187) 2.464 6.385 ( -1.569 0.000 0.966) 1.843 7.011 ( -18.140 0.000 -17.639) 25.302 7.853 ( 0.825 0.000 -3.170) 3.276 8.389 ( 11.650 0.000 -0.176) 11.651 9.625 ( -0.956 0.000 4.737) 4.833 9.747 ( -0.502 0.000 15.157) 15.165 11.154 ( -7.179 0.000 -15.345) 16.941 12.155 ( 2.251 0.000 -15.268) 15.433 12.785 ( -2.022 0.000 10.994) 11.179 14.367 ( 3.765 0.000 2.417) 4.474 14.921 ( 56.122 0.000 79.296) 97.147 15.779 ( 0.065 0.000 -0.147) 0.161 15.884 ( -15.896 0.000 -33.959) 37.495 16.766 ( -0.623 0.000 1.480) 1.606 ======================= Grid point 125 (44/203) ======================= q-point: ( 0.00 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.286 ( -2.259 5.615 9.701) 11.434 0.520 ( 3.086 14.842 10.510) 18.446 1.095 ( -7.807 26.668 23.995) 36.713 1.704 ( -0.491 -1.224 -10.137) 10.222 2.057 ( 3.901 -4.638 0.322) 6.069 2.258 ( -2.996 3.646 -2.632) 5.403 2.452 ( 6.582 9.533 -2.245) 11.800 2.572 ( 0.810 -3.718 4.725) 6.067 2.852 ( 2.899 -0.040 0.073) 2.900 2.965 ( 0.369 1.152 5.224) 5.362 3.112 ( -0.839 4.315 3.001) 5.322 3.345 ( 0.297 9.634 -0.743) 9.667 3.502 ( 8.129 3.160 11.950) 14.794 4.249 ( 3.171 2.965 -4.687) 6.389 4.420 ( -1.421 1.110 -2.914) 3.427 4.745 ( -1.098 -0.341 -1.634) 1.998 6.383 ( -0.052 1.123 0.507) 1.234 6.513 ( -4.928 0.201 -0.080) 4.933 7.632 ( -0.865 -18.099 -2.425) 18.281 7.887 ( -2.908 -15.549 6.317) 17.033 9.667 ( 0.277 -2.406 7.724) 8.095 10.782 ( 5.150 -15.158 -6.212) 17.172 11.514 ( 3.516 72.778 -71.833) 102.318 12.202 ( 1.881 3.435 -15.260) 15.755 12.788 ( -1.746 -0.707 11.738) 11.888 14.325 ( -6.015 -14.344 1.110) 15.594 14.487 ( -31.508 -16.011 -6.063) 35.859 16.069 ( -10.224 -5.438 19.784) 22.924 16.367 ( 28.934 12.315 3.961) 31.694 16.779 ( 1.540 -2.087 5.379) 5.971 ======================= Grid point 126 (45/203) ======================= q-point: ( 0.12 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 12.525 3.070 4.967) 13.819 0.672 ( 11.530 17.086 1.146) 20.645 1.061 ( -4.047 22.855 24.629) 33.842 1.664 ( -0.116 -0.967 -9.328) 9.379 2.135 ( 2.888 -4.183 -2.830) 5.818 2.194 ( -1.625 1.844 0.015) 2.458 2.536 ( 1.611 7.967 0.901) 8.178 2.597 ( 0.396 -2.006 4.916) 5.324 2.824 ( -5.512 2.303 2.021) 6.307 2.975 ( -1.255 0.381 6.033) 6.174 3.064 ( -2.457 5.186 3.581) 6.764 3.329 ( -1.267 8.336 -0.292) 8.437 3.608 ( -0.699 6.957 12.008) 13.895 4.314 ( -0.837 0.023 -1.005) 1.308 4.362 ( -0.111 0.149 -5.535) 5.538 4.727 ( 0.435 -0.078 -3.175) 3.206 6.416 ( 2.682 1.212 1.153) 3.161 6.672 ( 16.957 -8.478 -8.200) 20.656 7.605 ( -0.721 -16.059 -2.169) 16.220 7.845 ( -2.454 -12.591 3.335) 13.254 9.689 ( -1.087 -2.342 9.505) 9.849 10.784 ( -5.305 6.049 -2.252) 8.355 11.185 ( -6.067 57.450 -54.341) 79.311 12.212 ( 3.784 3.125 -15.655) 16.406 12.807 ( -0.476 -0.583 11.726) 11.750 13.627 ( -35.756 -4.077 28.639) 45.993 14.372 ( 0.098 -3.500 0.941) 3.626 15.755 ( -14.211 -3.880 12.656) 19.422 16.685 ( 3.941 6.358 -7.866) 10.855 16.892 ( 3.378 -3.356 8.578) 9.811 ======================= Grid point 127 (46/203) ======================= q-point: ( 0.25 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 4.427 9.248 3.707) 10.903 0.994 ( 16.001 6.674 -5.987) 18.342 1.088 ( -1.452 17.041 22.290) 28.095 1.642 ( 1.069 -0.386 -6.486) 6.584 2.106 ( -1.980 3.672 -3.669) 5.556 2.241 ( 3.110 -3.949 2.849) 5.777 2.527 ( -2.287 7.060 0.839) 7.468 2.623 ( 0.380 -0.841 2.827) 2.974 2.715 ( -4.702 5.881 6.177) 9.739 2.968 ( -1.459 -0.912 5.983) 6.225 3.056 ( -0.071 5.202 2.358) 5.712 3.290 ( -2.463 5.169 0.005) 5.725 3.624 ( -0.585 10.591 6.073) 12.223 4.217 ( -5.248 3.445 -1.890) 6.557 4.368 ( -0.026 -0.898 -1.925) 2.124 4.752 ( 3.421 0.097 -5.392) 6.387 6.476 ( 2.106 0.970 2.621) 3.500 6.965 ( 12.847 -16.274 -10.236) 23.123 7.596 ( 0.892 -13.758 -3.312) 14.179 7.817 ( -0.651 -10.067 -0.743) 10.115 9.688 ( -2.644 -2.357 11.398) 11.936 10.578 ( -8.962 61.463 -6.561) 62.459 11.042 ( 1.563 -10.455 -18.646) 21.434 12.234 ( 3.561 4.320 -15.297) 16.290 12.844 ( 0.056 1.318 10.490) 10.572 13.229 ( -14.741 -4.005 26.617) 30.689 14.374 ( -0.357 -4.146 1.256) 4.347 15.574 ( -7.598 -14.222 6.740) 17.477 16.682 ( -0.417 6.110 -8.445) 10.431 16.942 ( 0.092 6.743 5.045) 8.422 ======================= Grid point 128 (47/203) ======================= q-point: ( 0.38 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 1.797 9.626 2.000) 9.994 1.112 ( -1.431 16.957 15.677) 23.137 1.235 ( 7.154 -1.931 -3.645) 8.258 1.671 ( 3.206 0.172 -3.767) 4.949 2.066 ( -0.606 4.950 -2.976) 5.807 2.305 ( 1.687 -0.566 3.561) 3.981 2.486 ( -0.676 4.066 -4.441) 6.059 2.606 ( -2.742 -1.203 1.264) 3.250 2.688 ( -0.687 8.646 6.386) 10.771 2.955 ( -1.922 -1.925 6.001) 6.589 3.062 ( -0.206 4.912 1.987) 5.303 3.234 ( -2.730 1.355 0.199) 3.055 3.623 ( -0.806 13.468 0.396) 13.498 4.102 ( -4.890 3.869 -1.678) 6.457 4.365 ( 0.312 0.707 1.679) 1.848 4.817 ( 4.434 -0.478 -6.570) 7.940 6.510 ( 0.050 0.759 3.620) 3.699 7.128 ( 6.669 -17.368 -7.570) 20.086 7.614 ( 1.667 -15.480 -3.598) 15.980 7.816 ( 1.445 -6.039 -4.317) 7.563 9.663 ( -3.687 -2.441 12.253) 13.026 10.433 ( -3.612 63.406 -3.813) 63.623 11.035 ( 1.681 -22.610 -6.871) 23.690 12.252 ( 3.225 5.591 -14.529) 15.898 12.870 ( -1.316 4.755 9.553) 10.752 13.138 ( -3.491 -9.163 23.696) 25.645 14.366 ( -0.756 -3.998 1.031) 4.197 15.465 ( -4.776 -20.290 2.397) 20.982 16.628 ( -1.130 6.565 -11.026) 12.882 16.951 ( -0.609 11.635 3.577) 12.188 ======================= Grid point 129 (48/203) ======================= q-point: (-0.50 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -2.314 8.044 2.108) 8.631 1.117 ( -3.138 16.697 12.605) 21.154 1.315 ( 2.746 -3.931 -2.190) 5.271 1.724 ( 2.567 0.118 -1.411) 2.932 2.054 ( 0.213 6.288 -3.327) 7.117 2.313 ( -2.399 0.969 0.819) 2.714 2.433 ( -3.719 -0.174 -5.269) 6.451 2.559 ( -0.732 3.747 -2.599) 4.618 2.703 ( -0.215 8.355 6.140) 10.370 2.930 ( -2.272 -2.336 5.295) 6.218 3.059 ( -0.715 4.407 2.213) 4.983 3.195 ( -0.816 -0.810 0.312) 1.191 3.579 ( -3.142 14.437 -3.112) 15.099 4.043 ( 0.416 4.866 -1.470) 5.100 4.396 ( 1.540 1.191 3.646) 4.133 4.872 ( 2.742 -1.025 -5.845) 6.537 6.505 ( -1.604 0.543 3.497) 3.885 7.209 ( 3.540 -16.898 -5.413) 18.094 7.627 ( 0.587 -18.221 -2.642) 18.421 7.842 ( 2.576 -3.723 -5.568) 7.177 9.627 ( -3.701 -2.527 11.816) 12.637 10.384 ( -0.263 57.340 -3.084) 57.424 11.060 ( 2.613 -19.521 -3.131) 19.943 12.264 ( 2.901 7.055 -14.228) 16.144 12.859 ( -2.633 4.778 9.337) 10.814 13.225 ( 2.773 -10.580 27.018) 29.148 14.355 ( -0.417 -3.597 0.711) 3.690 15.388 ( -3.112 -24.061 -1.201) 24.291 16.570 ( -0.184 7.858 -13.195) 15.359 16.943 ( -1.154 13.320 2.536) 13.609 ======================= Grid point 130 (49/203) ======================= q-point: (-0.38 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -6.448 7.369 3.159) 10.289 1.054 ( -7.058 12.453 8.894) 16.852 1.358 ( 1.290 0.947 1.905) 2.488 1.769 ( 2.060 -0.503 0.292) 2.140 2.028 ( -2.905 4.384 -1.630) 5.506 2.219 ( -4.117 5.517 -1.553) 7.057 2.338 ( -2.865 -1.084 -6.137) 6.860 2.529 ( -1.543 7.317 -4.660) 8.810 2.715 ( -0.848 6.953 6.173) 9.336 2.909 ( -1.085 -1.863 3.904) 4.460 3.051 ( -0.831 4.344 2.751) 5.208 3.202 ( 1.255 -0.390 -0.392) 1.372 3.491 ( -3.596 13.315 -3.557) 14.243 4.098 ( 4.787 4.705 -2.439) 7.141 4.445 ( 1.772 1.077 3.292) 3.891 4.881 ( -0.216 -1.072 -3.914) 4.064 6.475 ( -2.267 0.422 2.349) 3.292 7.221 ( -1.370 -15.976 -4.387) 16.624 7.630 ( 0.789 -19.543 -1.480) 19.615 7.873 ( 1.997 -5.556 -4.126) 7.203 9.601 ( -2.507 -2.574 10.430) 11.032 10.399 ( 3.173 48.455 -4.153) 48.736 11.128 ( 5.561 -8.031 -4.713) 10.846 12.270 ( 2.510 8.370 -14.522) 16.948 12.836 ( -2.716 3.050 9.136) 10.008 13.443 ( 7.953 -8.240 37.141) 38.866 14.358 ( 0.480 -3.178 1.249) 3.448 15.321 ( -2.470 -26.508 -4.978) 27.085 16.531 ( 1.023 9.911 -13.716) 16.953 16.919 ( -1.935 12.873 1.341) 13.087 ======================= Grid point 131 (50/203) ======================= q-point: (-0.25 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( -7.451 8.499 6.229) 12.906 0.872 ( -13.278 4.558 5.514) 15.082 1.341 ( -6.114 13.875 11.696) 19.149 1.797 ( -0.050 -1.769 -1.951) 2.634 1.956 ( -0.618 0.204 -1.220) 1.382 2.198 ( 1.821 8.370 -0.547) 8.584 2.294 ( 1.641 1.299 -6.356) 6.692 2.472 ( -1.673 9.608 -4.758) 10.852 2.714 ( -1.114 5.140 5.872) 7.882 2.914 ( 0.191 -0.304 3.097) 3.118 3.048 ( -0.521 4.991 3.923) 6.370 3.237 ( 2.284 1.238 -0.837) 2.729 3.422 ( -2.006 11.904 -1.955) 12.229 4.190 ( 4.521 3.727 -3.705) 6.932 4.477 ( 0.258 0.551 0.799) 1.004 4.840 ( -2.514 -0.573 -1.734) 3.108 6.432 ( -2.352 0.552 1.103) 2.656 7.100 ( -9.155 -15.249 -4.674) 18.390 7.648 ( 1.008 -19.706 -1.133) 19.764 7.897 ( 0.994 -10.559 -0.079) 10.606 9.601 ( -0.703 -2.536 8.620) 9.013 10.493 ( 7.803 33.255 -7.147) 34.898 11.266 ( 11.157 13.918 -14.190) 22.793 12.264 ( 1.963 9.087 -15.509) 18.082 12.813 ( -2.560 1.610 9.087) 9.577 13.860 ( 18.814 -4.727 50.131) 53.753 14.394 ( 2.656 -1.663 6.516) 7.230 15.239 ( -3.533 -27.893 -8.821) 29.468 16.511 ( 1.151 13.091 -12.264) 17.975 16.870 ( -3.089 10.639 0.077) 11.079 ======================= Grid point 132 (51/203) ======================= q-point: (-0.12 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -3.809 9.428 11.551) 15.389 0.560 ( -17.190 2.042 5.896) 18.288 1.212 ( -10.530 24.977 20.449) 33.954 1.756 ( -1.296 -1.323 -8.064) 8.274 1.989 ( 2.573 -2.494 -0.070) 3.584 2.296 ( 6.025 7.167 1.445) 9.474 2.319 ( 1.190 4.397 -5.763) 7.346 2.491 ( 5.531 4.160 -0.086) 6.922 2.739 ( 3.196 5.423 4.865) 7.955 2.935 ( 0.771 1.417 3.306) 3.679 3.067 ( 1.187 6.410 5.532) 8.550 3.290 ( 3.139 3.404 0.822) 4.703 3.395 ( -0.135 10.576 0.575) 10.592 4.240 ( 1.575 3.791 -4.972) 6.448 4.457 ( -1.662 0.614 -1.590) 2.380 4.783 ( -2.243 -0.173 -0.755) 2.373 6.394 ( -1.409 0.839 0.550) 1.730 6.810 ( -16.942 -11.425 -3.330) 20.704 7.652 ( -0.092 -18.704 -2.345) 18.850 7.908 ( -0.977 -15.761 5.047) 16.578 9.630 ( 0.532 -2.458 7.362) 7.780 10.652 ( 9.593 6.572 -9.691) 15.137 11.471 ( 16.412 45.250 -40.728) 63.053 12.238 ( 1.005 8.000 -16.817) 18.650 12.795 ( -2.458 0.373 9.952) 10.258 14.300 ( 4.695 -7.956 4.590) 10.316 14.820 ( 23.934 -21.181 25.171) 40.683 15.173 ( 13.611 -6.765 22.533) 27.180 16.456 ( -4.757 19.396 -8.870) 21.852 16.797 ( -3.427 5.043 0.231) 6.101 ======================= Grid point 133 (52/203) ======================= q-point: ( 0.00 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 2.750 14.534 6.163) 16.024 0.918 ( 5.390 21.706 -1.945) 22.449 1.569 ( -6.363 17.911 13.347) 23.226 1.752 ( -0.143 7.884 -9.754) 12.542 2.041 ( 0.931 3.007 0.546) 3.195 2.305 ( -0.526 1.335 -1.200) 1.870 2.524 ( 1.713 -0.483 -3.325) 3.771 2.635 ( 2.493 6.849 -0.642) 7.317 2.865 ( -0.565 0.697 8.363) 8.411 3.036 ( 0.968 5.080 1.374) 5.351 3.189 ( -1.626 3.513 5.526) 6.747 3.609 ( 9.174 11.886 3.995) 15.537 3.628 ( -3.063 12.911 4.329) 13.957 4.361 ( 1.314 6.954 -5.820) 9.163 4.457 ( -1.239 3.374 -2.208) 4.219 4.756 ( -1.193 1.906 -1.078) 2.494 6.418 ( 0.806 2.251 0.181) 2.398 6.523 ( -3.011 0.618 -0.590) 3.130 7.145 ( -0.232 -29.315 0.307) 29.318 7.681 ( -0.227 -7.749 -4.982) 9.215 9.610 ( 0.390 -3.065 7.149) 7.788 10.361 ( 1.533 -25.424 -3.688) 25.736 12.026 ( 7.646 -13.439 -19.333) 24.755 12.440 ( -0.598 20.452 -32.095) 38.062 12.743 ( -2.860 -2.461 8.084) 8.921 13.961 ( -7.374 -14.645 -9.457) 18.928 14.438 ( -5.480 3.638 -8.250) 10.551 15.798 ( 2.608 -11.620 36.098) 38.012 16.715 ( 6.241 7.008 -3.727) 10.098 16.854 ( -2.805 13.757 2.868) 14.330 ======================= Grid point 134 (53/203) ======================= q-point: ( 0.12 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 9.964 12.371 3.433) 16.251 1.051 ( 7.978 19.651 -2.965) 21.415 1.496 ( -4.864 16.911 11.895) 21.240 1.721 ( 0.049 8.988 -6.867) 11.312 2.082 ( 3.304 0.090 -0.267) 3.316 2.271 ( -1.789 4.246 -3.338) 5.690 2.549 ( 1.439 -2.787 -0.588) 3.192 2.662 ( -0.400 4.329 0.788) 4.418 2.864 ( -2.207 1.466 9.123) 9.500 3.028 ( -2.767 4.709 2.985) 6.224 3.168 ( -1.142 4.945 4.615) 6.860 3.550 ( -4.777 12.549 3.106) 13.782 3.790 ( 4.786 10.908 7.752) 14.212 4.374 ( 1.413 3.682 -6.220) 7.365 4.408 ( -2.389 6.643 -1.884) 7.307 4.743 ( 0.677 2.038 -2.612) 3.381 6.453 ( 2.230 2.372 1.305) 3.507 6.563 ( 6.527 -3.726 -3.902) 8.468 7.144 ( 0.134 -28.386 0.311) 28.388 7.667 ( 0.902 -6.758 -6.149) 9.181 9.633 ( -1.056 -3.163 8.913) 9.516 10.393 ( 2.737 -26.722 -3.171) 27.048 12.094 ( 5.719 -15.985 -18.640) 25.213 12.236 ( -6.758 32.630 -38.405) 50.847 12.727 ( -2.355 -4.401 12.982) 13.909 13.654 ( -17.731 3.577 -1.379) 18.140 14.338 ( -2.777 2.150 0.167) 3.516 15.645 ( -19.548 -5.288 27.336) 34.020 16.743 ( -0.839 -0.065 -1.132) 1.411 17.001 ( 9.735 11.611 0.827) 15.174 ======================= Grid point 135 (54/203) ======================= q-point: ( 0.25 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 7.156 10.301 -0.783) 12.567 1.202 ( 6.731 13.795 -3.362) 15.713 1.455 ( -2.800 14.769 10.380) 18.268 1.712 ( 1.267 9.299 -4.592) 10.448 2.170 ( 4.108 1.213 -0.574) 4.321 2.229 ( 0.033 4.023 -2.561) 4.769 2.569 ( 0.355 -3.809 -1.498) 4.109 2.624 ( -3.277 3.345 3.125) 5.630 2.852 ( -1.775 4.272 8.386) 9.577 2.972 ( -3.231 3.050 4.872) 6.594 3.173 ( -0.235 5.557 2.935) 6.289 3.449 ( -6.077 10.071 3.360) 12.233 3.880 ( 2.359 13.733 4.872) 14.762 4.313 ( -3.994 5.299 -3.124) 7.334 4.403 ( 1.204 6.334 -2.992) 7.108 4.767 ( 2.690 1.675 -4.132) 5.207 6.504 ( 1.668 1.706 2.585) 3.518 6.698 ( 7.005 -11.430 -5.777) 14.597 7.156 ( 0.992 -26.470 -0.010) 26.489 7.680 ( 2.792 -5.549 -7.816) 9.984 9.628 ( -2.675 -3.365 10.654) 11.489 10.447 ( 3.192 -28.394 -2.877) 28.718 11.931 ( -8.195 47.160 -34.908) 59.244 12.157 ( 5.664 -14.487 -12.350) 19.861 12.734 ( -1.632 -6.817 14.253) 15.883 13.333 ( -13.675 11.349 9.204) 20.013 14.304 ( -1.321 -0.947 1.924) 2.519 15.368 ( -14.333 -5.123 18.349) 23.840 16.710 ( -1.672 -0.937 -2.994) 3.555 17.153 ( 5.083 11.225 -0.037) 12.322 ======================= Grid point 136 (55/203) ======================= q-point: ( 0.38 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 3.934 10.933 -3.464) 12.125 1.270 ( 1.143 7.075 -4.299) 8.357 1.456 ( -0.957 14.007 11.643) 18.239 1.740 ( 2.630 7.854 -4.028) 9.210 2.186 ( 0.205 6.894 -1.773) 7.121 2.301 ( 4.222 0.361 0.542) 4.272 2.523 ( -3.105 -1.181 -4.936) 5.950 2.600 ( -0.106 1.420 2.273) 2.682 2.846 ( -1.791 3.103 7.465) 8.281 2.937 ( -1.869 2.930 5.558) 6.555 3.168 ( -1.148 4.682 2.136) 5.273 3.337 ( -5.308 8.955 3.127) 10.869 3.926 ( 0.948 15.428 -0.061) 15.457 4.223 ( -3.280 8.355 -1.530) 9.106 4.420 ( 1.169 5.731 -0.741) 5.896 4.815 ( 3.215 0.616 -4.699) 5.727 6.528 ( -0.347 0.738 2.978) 3.088 6.797 ( 4.626 -16.419 -4.379) 17.612 7.178 ( 1.130 -23.770 -1.691) 23.857 7.721 ( 3.625 -5.131 -8.436) 10.519 9.601 ( -3.582 -3.468 11.348) 12.395 10.489 ( 1.694 -30.057 -3.489) 30.306 11.695 ( -4.108 51.366 -23.450) 56.615 12.255 ( 7.861 -6.617 -11.914) 15.733 12.764 ( -0.420 -10.443 15.781) 18.928 13.148 ( -8.389 9.263 11.956) 17.296 14.289 ( -0.848 -1.867 2.280) 3.066 15.180 ( -9.155 -6.959 10.851) 15.811 16.659 ( -1.478 -0.831 -5.984) 6.220 17.224 ( 2.071 12.513 -0.197) 12.684 ======================= Grid point 137 (56/203) ======================= q-point: (-0.50 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -0.028 13.146 -4.271) 13.823 1.240 ( -2.343 3.224 -3.818) 5.519 1.490 ( 0.440 13.825 10.559) 17.402 1.779 ( 2.204 6.226 -3.028) 7.266 2.186 ( -0.384 6.982 -0.445) 7.007 2.350 ( 0.307 2.321 -0.695) 2.442 2.424 ( -4.356 -0.463 -4.981) 6.633 2.627 ( 2.508 2.518 -2.137) 4.147 2.821 ( -2.938 -0.475 6.509) 7.157 2.936 ( -0.477 5.371 6.310) 8.300 3.147 ( -1.295 3.734 1.907) 4.388 3.268 ( -2.153 8.265 2.217) 8.823 3.895 ( -3.181 16.118 -4.044) 16.919 4.198 ( 1.258 10.693 -0.359) 10.773 4.450 ( 1.679 4.889 1.107) 5.287 4.856 ( 2.025 -0.212 -3.958) 4.451 6.514 ( -1.704 -0.147 2.075) 2.689 6.871 ( 3.556 -17.690 -1.301) 18.090 7.181 ( -0.122 -22.415 -3.190) 22.642 7.758 ( 2.494 -5.592 -7.991) 10.067 9.567 ( -3.424 -3.311 10.803) 11.806 10.484 ( -0.746 -29.099 -4.679) 29.483 11.600 ( 1.789 43.752 -17.703) 47.232 12.381 ( 8.098 6.038 -13.355) 16.745 12.828 ( 0.641 -12.240 14.833) 19.241 13.078 ( -2.166 3.787 18.166) 18.682 14.286 ( -0.140 -1.510 2.557) 2.973 15.057 ( -5.764 -7.804 5.915) 11.363 16.615 ( -0.192 -0.378 -8.018) 8.030 17.242 ( -0.214 13.214 -0.408) 13.222 ======================= Grid point 138 (57/203) ======================= q-point: (-0.38 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -3.661 15.234 -4.568) 16.320 1.139 ( -6.875 2.876 -2.246) 7.783 1.553 ( 2.669 12.570 7.250) 14.755 1.810 ( 1.743 5.314 -3.180) 6.433 2.138 ( -4.667 6.774 2.426) 8.576 2.312 ( -2.513 2.209 -0.790) 3.438 2.366 ( 0.925 4.405 -6.049) 7.540 2.658 ( 0.697 5.098 -3.319) 6.123 2.789 ( -1.785 -1.171 5.713) 6.099 2.951 ( -0.357 6.324 6.371) 8.983 3.136 ( -0.389 3.755 1.805) 4.184 3.264 ( 1.186 6.854 0.867) 7.009 3.800 ( -3.938 16.954 -3.767) 17.808 4.246 ( 3.189 9.931 -1.929) 10.608 4.491 ( 1.564 3.948 1.360) 4.459 4.865 ( -0.075 -0.158 -2.387) 2.393 6.481 ( -1.876 -0.154 0.771) 2.034 6.922 ( 0.706 -14.830 0.770) 14.866 7.151 ( -1.442 -24.640 -2.642) 24.823 7.763 ( 0.723 -6.475 -7.300) 9.785 9.543 ( -2.207 -3.056 9.361) 10.092 10.436 ( -1.922 -25.906 -5.252) 26.503 11.634 ( 7.126 28.195 -17.182) 33.778 12.473 ( 5.447 13.261 -14.534) 20.414 12.843 ( -2.237 -4.734 5.584) 7.654 13.265 ( 11.879 -3.618 30.306) 32.751 14.308 ( 1.438 0.105 3.664) 3.938 14.978 ( -3.676 -6.995 3.874) 8.801 16.598 ( 1.280 0.245 -8.153) 8.256 17.214 ( -2.293 13.105 -0.788) 13.327 ======================= Grid point 139 (58/203) ======================= q-point: (-0.25 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -7.613 12.021 -2.807) 14.503 0.953 ( -8.454 10.226 -2.492) 13.500 1.636 ( 1.932 12.193 7.034) 14.208 1.818 ( 0.501 4.569 -6.446) 7.916 2.054 ( -3.821 8.980 5.487) 11.196 2.278 ( -0.245 1.782 -0.304) 1.824 2.400 ( 4.091 6.372 -5.978) 9.648 2.635 ( -1.270 6.015 -2.896) 6.795 2.790 ( -0.259 1.955 6.241) 6.545 2.969 ( 0.369 5.566 4.703) 7.296 3.143 ( 0.336 4.287 3.022) 5.256 3.317 ( 3.584 6.905 0.047) 7.780 3.723 ( -2.423 17.502 -2.001) 17.782 4.304 ( 3.213 7.531 -3.592) 8.941 4.511 ( -0.103 3.305 0.053) 3.307 4.839 ( -1.820 0.737 -0.779) 2.113 6.445 ( -1.635 0.563 -0.151) 1.736 6.863 ( -6.912 -8.224 0.222) 10.745 7.133 ( 0.315 -29.489 0.180) 29.492 7.741 ( -0.402 -7.346 -6.421) 9.765 9.545 ( -0.488 -2.949 7.639) 8.203 10.383 ( -1.219 -23.941 -4.887) 24.465 11.757 ( 10.505 10.129 -19.163) 24.086 12.510 ( 3.370 14.229 -15.105) 21.024 12.811 ( -1.898 -2.208 2.164) 3.628 13.710 ( 18.968 -7.968 21.583) 29.818 14.399 ( 6.929 4.083 6.026) 10.049 14.948 ( -0.256 -1.400 11.648) 11.734 16.609 ( 2.236 1.212 -6.419) 6.905 17.139 ( -4.716 12.469 -1.089) 13.375 ======================= Grid point 140 (59/203) ======================= q-point: (-0.12 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -11.576 8.090 2.497) 14.342 0.862 ( 0.338 21.168 -2.981) 21.379 1.644 ( -4.417 15.729 11.922) 20.224 1.790 ( -0.022 5.824 -10.222) 11.765 2.029 ( -0.467 6.926 3.329) 7.698 2.297 ( 1.350 -0.288 -0.008) 1.381 2.477 ( 4.674 4.837 -5.499) 8.689 2.607 ( -0.117 6.335 -1.697) 6.559 2.826 ( 1.241 2.978 7.288) 7.970 3.001 ( 1.393 4.962 2.505) 5.731 3.173 ( 0.918 4.144 5.137) 6.664 3.417 ( 6.420 9.211 2.152) 11.432 3.678 ( -1.949 17.027 -0.238) 17.140 4.347 ( 2.268 6.332 -4.979) 8.369 4.489 ( -1.415 3.282 -1.364) 3.825 4.794 ( -2.125 1.616 -0.214) 2.678 6.418 ( -0.747 1.486 -0.331) 1.696 6.675 ( -10.014 -3.158 0.396) 10.508 7.144 ( 0.242 -29.967 0.785) 29.979 7.708 ( -0.610 -7.879 -5.303) 9.517 9.573 ( 0.655 -3.001 6.624) 7.301 10.356 ( 0.245 -24.191 -4.219) 24.557 11.908 ( 10.367 -4.898 -20.293) 23.308 12.507 ( 2.171 15.247 -19.861) 25.132 12.779 ( -2.087 -1.490 2.259) 3.418 14.004 ( 5.116 -17.818 -1.919) 18.637 14.543 ( 2.024 -1.762 -12.154) 12.447 15.261 ( 23.751 6.938 43.589) 50.122 16.642 ( 2.699 3.668 -4.097) 6.126 17.003 ( -8.267 12.361 -0.382) 14.876 ======================= Grid point 141 (60/203) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 3.624 18.905 5.345) 19.977 1.333 ( 4.925 19.489 -4.724) 20.649 1.819 ( -3.498 11.325 0.585) 11.868 1.988 ( 1.139 11.934 -4.331) 12.747 2.142 ( -2.370 5.198 1.184) 5.834 2.339 ( 1.108 2.641 -0.965) 3.022 2.508 ( -0.185 -1.381 -3.364) 3.642 2.734 ( -0.465 3.135 6.412) 7.153 2.894 ( -0.305 2.361 4.452) 5.048 3.126 ( -0.068 3.449 2.626) 4.336 3.256 ( -0.572 3.367 3.459) 4.861 3.752 ( 3.776 4.371 5.741) 8.144 3.997 ( -0.505 19.707 -1.187) 19.749 4.470 ( 0.583 5.715 -2.251) 6.170 4.614 ( 0.427 11.001 -2.847) 11.371 4.825 ( -0.931 4.680 -0.944) 4.864 6.438 ( 0.291 -7.507 0.322) 7.520 6.510 ( -2.412 -2.865 -2.085) 4.286 6.616 ( 0.057 -13.193 3.616) 13.680 7.504 ( 1.282 -10.987 -9.601) 14.647 9.540 ( 0.611 -4.426 5.867) 7.374 9.824 ( -0.088 -26.568 0.490) 26.573 11.615 ( 2.485 -22.102 -9.805) 24.307 12.607 ( -0.247 -7.230 5.225) 8.923 12.788 ( 0.201 9.945 -20.489) 22.775 13.703 ( -0.729 -11.750 -9.373) 15.048 14.583 ( -2.035 9.881 -8.760) 13.361 15.625 ( -0.285 -6.693 31.023) 31.739 16.784 ( 1.839 3.135 -1.565) 3.957 17.119 ( -0.148 9.670 0.574) 9.689 ======================= Grid point 142 (61/203) ======================= q-point: ( 0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 6.966 17.171 4.738) 19.126 1.428 ( 5.287 17.833 -4.026) 19.031 1.744 ( -3.526 11.638 0.238) 12.163 1.986 ( -0.695 13.739 -1.181) 13.807 2.121 ( 1.274 2.910 -1.029) 3.339 2.354 ( 0.769 4.011 -3.370) 5.295 2.490 ( -0.110 -2.858 -2.930) 4.095 2.728 ( -2.603 2.638 7.613) 8.467 2.891 ( -1.500 1.374 4.310) 4.766 3.114 ( -2.378 3.105 3.974) 5.575 3.255 ( -0.333 3.774 3.179) 4.945 3.739 ( -5.799 4.321 7.046) 10.097 4.058 ( 5.223 16.335 -0.959) 17.177 4.469 ( -0.090 7.285 -1.668) 7.474 4.615 ( 0.399 12.204 -2.565) 12.477 4.812 ( 0.313 4.632 -2.145) 5.115 6.422 ( -1.017 -15.602 -1.843) 15.744 6.507 ( 1.370 2.698 0.908) 3.159 6.658 ( 3.197 -12.747 1.076) 13.185 7.508 ( 2.413 -10.172 -9.651) 14.228 9.563 ( -0.949 -4.062 7.898) 8.933 9.835 ( 1.094 -27.614 -0.050) 27.636 11.639 ( 3.464 -23.530 -9.993) 25.798 12.619 ( -0.740 -7.797 6.352) 10.084 12.700 ( -1.056 15.098 -22.586) 27.188 13.613 ( -4.711 -7.068 -8.726) 12.177 14.500 ( -3.369 12.558 -4.171) 13.654 15.567 ( -13.544 -3.059 28.484) 31.688 16.762 ( -2.300 2.487 -1.125) 3.570 17.203 ( 6.266 7.376 0.264) 9.681 ======================= Grid point 143 (62/203) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 5.436 15.135 1.013) 16.113 1.497 ( 2.198 14.963 -4.212) 15.700 1.690 ( -1.800 11.595 2.249) 11.948 1.957 ( -1.201 11.969 -1.434) 12.115 2.195 ( 5.727 1.982 -1.503) 6.244 2.345 ( -0.099 6.410 -3.765) 7.434 2.487 ( 0.401 -4.129 -2.345) 4.765 2.687 ( -3.608 3.189 7.128) 8.602 2.865 ( -2.583 -1.025 4.780) 5.529 3.071 ( -2.681 4.598 4.682) 7.089 3.258 ( -0.754 3.130 2.277) 3.943 3.626 ( -6.865 5.639 6.938) 11.272 4.151 ( 3.859 14.024 -1.050) 14.583 4.455 ( -0.816 9.810 -0.760) 9.873 4.612 ( 0.254 12.793 -2.519) 13.041 4.822 ( 1.474 3.780 -2.898) 4.986 6.395 ( -0.964 -19.992 -2.052) 20.120 6.542 ( 1.103 1.553 3.000) 3.554 6.745 ( 4.957 -11.425 -2.402) 12.683 7.535 ( 3.368 -9.856 -9.479) 14.083 9.556 ( -2.597 -3.948 9.651) 10.746 9.864 ( 1.610 -28.291 -0.286) 28.338 11.692 ( 5.138 -24.241 -11.671) 27.390 12.583 ( -2.352 6.428 -8.550) 10.952 12.642 ( 0.859 6.502 -5.574) 8.607 13.462 ( -7.206 -0.782 -4.267) 8.411 14.429 ( -2.728 13.556 0.598) 13.841 15.355 ( -14.515 2.363 24.013) 28.159 16.707 ( -2.286 1.557 -2.775) 3.918 17.325 ( 4.987 5.493 -0.042) 7.419 ======================= Grid point 144 (63/203) ======================= q-point: ( 0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 3.751 13.732 -2.667) 14.483 1.480 ( -1.807 12.597 -5.277) 13.777 1.691 ( 0.256 11.555 6.106) 13.071 1.938 ( 0.238 9.712 -3.014) 10.171 2.313 ( 5.251 2.046 -1.420) 5.812 2.338 ( 0.578 6.610 -1.876) 6.896 2.471 ( -1.328 -3.177 -2.963) 4.542 2.646 ( -1.780 2.869 4.011) 5.243 2.820 ( -3.422 -2.866 5.567) 7.135 3.049 ( -1.053 5.366 4.954) 7.379 3.234 ( -1.929 2.390 1.270) 3.323 3.523 ( -5.203 7.391 6.526) 11.148 4.206 ( 2.016 13.286 -3.155) 13.803 4.436 ( -0.719 12.547 0.999) 12.607 4.609 ( 0.352 12.372 -2.481) 12.623 4.847 ( 1.803 2.613 -2.815) 4.242 6.373 ( -0.449 -21.167 -1.460) 21.222 6.567 ( -0.038 -0.684 4.640) 4.690 6.827 ( 4.129 -10.756 -5.515) 12.773 7.573 ( 3.184 -10.364 -8.906) 14.031 9.529 ( -3.208 -3.729 10.156) 11.284 9.890 ( 0.765 -28.570 -0.189) 28.581 11.746 ( 3.998 -22.881 -15.283) 27.804 12.551 ( 2.369 8.189 -4.207) 9.506 12.647 ( 1.332 6.268 -4.634) 7.908 13.307 ( -6.836 3.589 1.257) 7.823 14.394 ( -1.337 13.635 3.295) 14.091 15.166 ( -10.774 4.058 18.092) 21.445 16.653 ( -1.496 1.165 -5.197) 5.532 17.402 ( 2.496 5.136 -0.205) 5.714 ======================= Grid point 145 (64/203) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 0.755 12.618 -4.584) 13.446 1.407 ( -3.091 12.190 -5.311) 13.651 1.731 ( 1.051 11.673 7.291) 13.803 1.943 ( 1.344 8.571 -4.068) 9.582 2.324 ( -1.743 5.234 -3.289) 6.422 2.376 ( 0.532 0.910 -1.616) 1.929 2.437 ( -0.259 2.079 1.166) 2.397 2.658 ( 2.604 1.007 -0.585) 2.852 2.769 ( -3.265 -3.194 5.953) 7.503 3.059 ( 0.056 5.758 5.426) 7.912 3.202 ( -1.208 2.141 0.603) 2.531 3.458 ( -3.115 8.572 5.275) 10.536 4.200 ( -1.239 14.660 -4.525) 15.392 4.444 ( 0.967 13.017 1.657) 13.158 4.610 ( 0.642 10.956 -2.298) 11.213 4.872 ( 1.308 1.897 -2.011) 3.059 6.370 ( 0.651 -19.685 -1.028) 19.723 6.575 ( -0.820 -4.214 5.468) 6.952 6.870 ( 1.935 -9.371 -6.451) 11.540 7.595 ( 1.774 -11.244 -8.410) 14.153 9.500 ( -2.915 -3.379 9.579) 10.568 9.892 ( -0.397 -28.312 -0.329) 28.316 11.735 ( 0.614 -17.668 -16.649) 24.285 12.606 ( -0.605 -10.828 9.447) 14.383 12.703 ( 9.127 17.496 -17.227) 26.195 13.220 ( -1.760 6.125 6.227) 8.910 14.398 ( 0.559 14.168 4.481) 14.870 15.040 ( -6.887 4.431 14.002) 16.221 16.615 ( 0.027 1.332 -6.779) 6.909 17.425 ( -0.126 5.113 -0.363) 5.127 ======================= Grid point 146 (65/203) ======================= q-point: (-0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -5.153 10.985 -4.468) 12.930 1.328 ( -2.387 14.540 -5.646) 15.780 1.784 ( 1.974 11.680 5.703) 13.147 1.958 ( 1.562 8.195 -6.136) 10.356 2.249 ( -2.753 2.546 -3.714) 5.278 2.377 ( -1.131 5.407 4.169) 6.921 2.443 ( 0.734 2.873 -0.889) 3.096 2.724 ( 0.339 1.258 0.718) 1.487 2.744 ( 1.990 -2.080 3.325) 4.398 3.079 ( -0.290 5.661 6.015) 8.265 3.196 ( 0.579 2.871 0.041) 2.929 3.436 ( -0.317 8.623 3.743) 9.406 4.143 ( -2.417 17.017 -3.508) 17.542 4.468 ( 0.718 11.453 -0.128) 11.476 4.620 ( 0.946 9.070 -2.064) 9.350 4.884 ( 0.255 2.061 -0.934) 2.277 6.388 ( 1.298 -15.792 -1.004) 15.877 6.576 ( -0.832 -9.423 5.308) 10.847 6.855 ( -1.564 -7.034 -4.736) 8.623 7.586 ( 0.319 -11.915 -8.556) 14.673 9.481 ( -1.918 -3.333 8.195) 9.053 9.875 ( -1.035 -27.480 -0.522) 27.504 11.674 ( -0.712 -14.893 -14.491) 20.792 12.603 ( -1.769 -9.195 6.743) 11.539 12.815 ( 6.094 8.211 -17.714) 20.453 13.324 ( 9.398 3.158 6.666) 11.947 14.457 ( 3.957 15.039 3.973) 16.051 14.985 ( -3.112 5.706 15.089) 16.429 16.609 ( 1.778 1.897 -6.698) 7.185 17.395 ( -2.608 5.035 -0.518) 5.694 ======================= Grid point 147 (66/203) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -9.318 11.928 -3.106) 15.452 1.276 ( -0.461 17.674 -6.147) 18.718 1.847 ( 1.886 10.740 4.403) 11.760 1.962 ( 1.527 8.636 -8.407) 12.148 2.207 ( -0.880 3.695 -0.922) 3.909 2.352 ( -2.340 6.430 4.608) 8.250 2.473 ( 2.396 1.004 -2.092) 3.336 2.710 ( -1.129 1.751 3.861) 4.387 2.821 ( 2.952 1.550 2.247) 4.020 3.090 ( -0.357 5.483 5.660) 7.889 3.218 ( 1.099 3.789 0.633) 3.995 3.483 ( 3.926 8.306 2.191) 9.445 4.088 ( -1.881 18.372 -1.949) 18.571 4.471 ( 0.046 8.841 -1.753) 9.013 4.627 ( 0.379 8.364 -2.359) 8.699 4.875 ( -0.837 2.962 -0.105) 3.079 6.410 ( 1.022 -10.197 -1.030) 10.300 6.579 ( -0.535 -15.613 4.069) 16.144 6.772 ( -5.312 -3.726 -1.493) 6.658 7.554 ( -0.156 -12.086 -9.153) 15.162 9.481 ( -0.491 -3.792 6.472) 7.517 9.851 ( -1.066 -26.484 -0.243) 26.506 11.620 ( 0.271 -16.298 -11.862) 20.159 12.593 ( -1.093 -8.385 5.396) 10.031 12.843 ( 3.225 6.940 -17.192) 18.818 13.563 ( 10.456 -7.543 -1.210) 12.949 14.577 ( 6.157 11.913 -3.795) 13.937 15.057 ( 4.611 8.991 26.547) 28.405 16.642 ( 3.356 2.912 -5.123) 6.781 17.316 ( -4.802 5.171 -0.511) 7.075 ======================= Grid point 148 (67/203) ======================= q-point: (-0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -5.584 16.357 0.902) 17.308 1.274 ( 2.367 19.527 -5.722) 20.485 1.868 ( -1.356 10.337 2.700) 10.770 1.973 ( 2.213 10.359 -7.300) 12.865 2.183 ( -1.723 4.795 0.835) 5.163 2.330 ( -0.665 4.538 1.885) 4.958 2.508 ( 1.403 -0.774 -2.606) 3.059 2.714 ( 0.034 3.681 4.920) 6.145 2.873 ( 1.003 2.259 3.984) 4.689 3.109 ( 0.448 5.043 3.620) 6.224 3.243 ( 0.759 3.377 2.386) 4.204 3.607 ( 6.943 8.091 2.640) 10.983 4.043 ( -2.333 18.760 -0.745) 18.919 4.467 ( 0.388 6.207 -2.413) 6.671 4.620 ( 0.017 9.424 -2.854) 9.847 4.851 ( -1.349 4.009 -0.066) 4.231 6.424 ( 0.750 -5.900 -0.451) 5.964 6.575 ( -1.315 -18.494 0.236) 18.542 6.649 ( -5.475 -1.355 2.756) 6.278 7.522 ( 0.339 -11.726 -9.520) 15.107 9.505 ( 0.670 -4.373 5.354) 6.946 9.832 ( -0.752 -26.038 0.358) 26.051 11.604 ( 1.845 -19.443 -10.324) 22.091 12.596 ( -0.469 -7.787 4.976) 9.253 12.834 ( 1.924 7.768 -18.366) 20.034 13.700 ( 4.220 -12.719 -7.062) 15.148 14.629 ( 1.340 8.129 -10.295) 13.186 15.364 ( 11.860 2.930 33.575) 35.728 16.711 ( 4.635 4.022 -3.072) 6.863 17.200 ( -5.945 6.743 -0.060) 8.989 ======================= Grid point 149 (68/203) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 3.030 18.961 5.289) 19.916 1.688 ( 4.322 15.832 -5.992) 17.471 2.060 ( -2.914 11.697 0.550) 12.067 2.158 ( 0.838 3.562 -2.400) 4.376 2.232 ( 0.250 4.989 0.155) 4.997 2.407 ( -0.047 3.480 -2.756) 4.439 2.477 ( -0.623 -0.551 -1.281) 1.527 2.766 ( -1.441 0.163 9.596) 9.705 2.947 ( 0.132 2.524 1.436) 2.907 3.166 ( -1.507 0.443 4.095) 4.386 3.333 ( -0.247 4.524 0.038) 4.531 3.764 ( 0.436 -2.769 2.449) 3.722 4.374 ( 0.107 17.365 -1.106) 17.400 4.630 ( 0.855 9.470 0.962) 9.558 4.829 ( 1.584 9.472 -3.322) 10.161 4.928 ( -0.775 5.495 -0.227) 5.554 6.103 ( -0.850 -12.766 2.636) 13.063 6.541 ( 1.102 1.958 -0.925) 2.430 6.570 ( -2.481 0.281 0.889) 2.650 7.222 ( 2.086 -17.225 -9.602) 19.831 9.322 ( 0.774 -16.782 1.642) 16.880 9.479 ( -1.392 -7.131 8.204) 10.958 11.265 ( 1.244 -11.534 -8.671) 14.483 12.308 ( 0.529 -21.289 1.764) 21.369 12.979 ( 1.218 8.614 -13.609) 16.152 13.507 ( 0.440 -7.805 -8.325) 11.420 14.797 ( -0.539 11.018 -4.432) 11.888 15.501 ( -0.796 -6.240 23.051) 23.894 16.863 ( 0.905 4.803 0.009) 4.888 17.228 ( 0.340 1.624 0.432) 1.715 ======================= Grid point 150 (69/203) ======================= q-point: ( 0.12 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 4.672 17.152 5.590) 18.635 1.753 ( 3.532 14.386 -5.442) 15.781 1.995 ( -3.339 12.720 1.411) 13.226 2.168 ( 0.301 1.419 -0.731) 1.625 2.220 ( -0.374 9.461 -1.640) 9.609 2.411 ( 1.407 0.346 -4.646) 4.867 2.459 ( -0.501 1.367 -0.890) 1.706 2.759 ( -2.357 0.171 9.297) 9.593 2.925 ( -2.849 2.135 1.793) 3.986 3.144 ( -1.791 -0.007 3.694) 4.105 3.327 ( -0.426 3.630 0.787) 3.739 3.731 ( -3.934 -3.801 2.938) 6.209 4.401 ( 2.608 16.713 -1.679) 16.998 4.655 ( 0.887 10.214 2.059) 10.457 4.849 ( 1.245 10.203 -2.707) 10.629 4.914 ( -0.338 5.510 -0.813) 5.580 6.083 ( -1.889 -12.001 2.198) 12.346 6.553 ( 0.256 -0.742 0.107) 0.792 6.566 ( 1.980 0.698 -1.668) 2.681 7.240 ( 2.704 -16.718 -8.817) 19.093 9.351 ( 1.277 -17.876 2.298) 18.068 9.476 ( -1.737 -6.042 8.642) 10.687 11.272 ( 2.583 -11.976 -9.311) 15.388 12.323 ( 0.119 -20.972 2.107) 21.078 12.947 ( 0.498 9.896 -13.569) 16.802 13.461 ( -1.920 -6.915 -8.261) 10.943 14.765 ( -1.144 13.087 -2.950) 13.464 15.496 ( -7.043 -4.503 22.531) 24.032 16.845 ( -2.118 5.685 -0.087) 6.067 17.282 ( 3.979 0.613 0.624) 4.074 ======================= Grid point 151 (70/203) ======================= q-point: ( 0.25 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 3.492 15.050 2.860) 15.712 1.777 ( 0.397 12.453 -5.974) 13.818 1.945 ( -2.080 13.213 3.456) 13.815 2.135 ( -2.080 5.435 -2.601) 6.374 2.259 ( 4.351 4.870 -2.488) 6.989 2.414 ( -0.128 -2.883 -0.831) 3.003 2.460 ( 1.091 4.562 -3.509) 5.858 2.738 ( -2.823 0.985 9.396) 9.860 2.851 ( -4.629 0.657 1.975) 5.075 3.120 ( -1.568 0.262 3.511) 3.854 3.318 ( -0.926 3.269 0.838) 3.500 3.652 ( -4.273 -2.091 3.919) 6.164 4.451 ( 2.645 15.308 -2.441) 15.726 4.677 ( 0.334 11.199 2.648) 11.512 4.858 ( 0.540 10.518 -2.761) 10.887 4.910 ( 0.243 5.128 -0.853) 5.204 6.048 ( -1.913 -11.249 1.729) 11.540 6.558 ( -0.289 -1.154 1.626) 2.014 6.619 ( 4.102 -2.572 -4.815) 6.828 7.268 ( 2.777 -16.851 -7.882) 18.810 9.386 ( 1.114 -18.012 3.146) 18.319 9.467 ( -2.168 -5.117 8.908) 10.499 11.308 ( 4.155 -12.747 -10.392) 16.963 12.324 ( -0.760 -20.176 2.288) 20.319 12.913 ( 0.990 10.509 -12.864) 16.640 13.378 ( -3.246 -5.331 -6.923) 9.321 14.736 ( -0.846 15.015 -1.337) 15.098 15.394 ( -9.639 0.275 21.002) 23.110 16.792 ( -2.545 6.934 -1.616) 7.561 17.369 ( 3.882 -0.860 0.471) 4.004 ======================= Grid point 152 (71/203) ======================= q-point: ( 0.38 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 2.171 13.436 -0.823) 13.635 1.731 ( -2.360 11.535 -6.501) 13.449 1.939 ( -0.167 12.683 6.454) 14.232 2.094 ( -0.310 6.137 -4.915) 7.868 2.342 ( 3.479 1.100 -4.573) 5.851 2.415 ( 0.756 -1.857 0.131) 2.009 2.462 ( 0.329 4.656 -2.062) 5.103 2.714 ( -2.457 3.017 8.787) 9.610 2.762 ( -4.563 -1.796 2.861) 5.677 3.110 ( -0.538 0.298 3.346) 3.402 3.293 ( -1.410 4.030 0.089) 4.270 3.595 ( -2.759 0.223 4.741) 5.490 4.486 ( 1.663 14.457 -3.195) 14.899 4.687 ( -0.190 11.786 2.809) 12.117 4.851 ( -0.103 10.088 -3.389) 10.643 4.919 ( 0.703 4.876 -0.271) 4.934 6.024 ( -0.889 -10.830 1.646) 10.991 6.549 ( -1.106 -2.241 1.841) 3.104 6.689 ( 4.279 -4.001 -6.208) 8.535 7.293 ( 2.044 -17.534 -7.077) 19.019 9.414 ( 0.196 -17.502 3.272) 17.807 9.451 ( -2.350 -4.492 9.252) 10.550 11.359 ( 4.175 -13.559 -11.556) 18.298 12.313 ( -1.060 -19.601 2.771) 19.824 12.905 ( 2.622 9.585 -12.365) 15.863 13.292 ( -2.692 -3.147 -4.766) 6.314 14.724 ( 0.097 16.102 -0.443) 16.108 15.267 ( -9.041 4.167 18.533) 21.038 16.737 ( -1.676 7.658 -3.648) 8.647 17.434 ( 2.091 -1.694 0.193) 2.698 ======================= Grid point 153 (72/203) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -0.621 12.346 -3.552) 12.862 1.656 ( -2.190 11.536 -6.117) 13.240 1.976 ( 0.958 12.271 8.210) 14.795 2.089 ( 1.531 6.074 -6.275) 8.866 2.321 ( -2.213 -2.262 -7.768) 8.388 2.439 ( 0.967 2.430 -0.936) 2.778 2.502 ( 2.890 3.623 2.638) 5.333 2.686 ( -2.474 0.052 2.657) 3.631 2.715 ( -0.938 0.161 7.630) 7.689 3.117 ( -0.218 -0.667 3.475) 3.546 3.277 ( 0.232 5.882 -0.383) 5.899 3.567 ( -1.668 2.350 4.924) 5.705 4.492 ( -0.015 14.427 -3.403) 14.823 4.691 ( -0.292 11.313 2.427) 11.574 4.832 ( -0.406 9.393 -3.946) 10.197 4.935 ( 0.785 4.661 0.243) 4.733 6.025 ( 0.351 -10.939 2.072) 11.139 6.530 ( -1.150 -2.503 0.969) 2.920 6.743 ( 2.874 -4.158 -5.515) 7.481 7.298 ( 0.757 -18.279 -6.845) 19.533 9.402 ( -2.438 -12.356 4.468) 13.364 9.451 ( -0.708 -8.779 7.585) 11.624 11.385 ( 2.127 -13.411 -11.774) 17.973 12.303 ( -0.925 -19.957 2.986) 20.201 12.930 ( 3.753 7.338 -12.665) 15.111 13.254 ( 0.827 -1.518 -2.967) 3.434 14.737 ( 1.318 15.862 -0.743) 15.933 15.166 ( -6.554 6.206 16.853) 19.118 16.703 ( -0.039 7.976 -4.919) 9.371 17.453 ( -0.286 -2.057 -0.075) 2.078 ======================= Grid point 154 (73/203) ======================= q-point: (-0.38 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -5.005 12.471 -3.832) 13.973 1.611 ( -0.096 12.783 -6.271) 14.239 2.028 ( 1.484 11.517 6.239) 13.182 2.101 ( 1.548 6.043 -6.310) 8.873 2.252 ( -1.096 -1.411 -7.476) 7.687 2.455 ( 0.864 1.992 -0.279) 2.189 2.528 ( -1.862 5.487 4.010) 7.046 2.684 ( 0.411 -2.876 7.148) 7.716 2.756 ( 3.492 1.699 1.501) 4.163 3.123 ( -0.240 -1.184 3.763) 3.953 3.300 ( 1.827 7.215 -0.213) 7.446 3.564 ( -0.094 3.843 4.630) 6.018 4.467 ( -1.147 15.126 -2.814) 15.428 4.686 ( -1.099 10.191 1.372) 10.341 4.812 ( 0.027 8.601 -4.292) 9.613 4.949 ( 0.421 4.559 0.540) 4.610 6.049 ( 0.983 -11.660 2.694) 12.007 6.514 ( -0.406 -1.697 -0.313) 1.773 6.761 ( 0.109 -3.284 -2.976) 4.434 7.277 ( -0.162 -18.726 -7.628) 20.220 9.362 ( -2.662 -11.890 3.887) 12.789 9.463 ( -0.714 -9.177 7.040) 11.588 11.364 ( -0.153 -12.336 -10.688) 16.322 12.295 ( -0.746 -20.415 2.199) 20.547 12.960 ( 3.344 5.981 -12.577) 14.323 13.311 ( 5.385 -3.046 -3.393) 7.056 14.771 ( 2.441 13.612 -2.660) 14.082 15.131 ( -2.423 6.838 18.208) 19.600 16.704 ( 1.818 7.925 -4.726) 9.405 17.422 ( -2.550 -2.020 -0.262) 3.263 ======================= Grid point 155 (74/203) ======================= q-point: (-0.25 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -6.104 14.970 -2.650) 16.382 1.603 ( 1.519 14.537 -6.540) 16.013 2.079 ( 1.298 11.483 4.550) 12.419 2.111 ( 1.806 5.346 -4.857) 7.445 2.225 ( 0.437 -1.135 -6.745) 6.853 2.470 ( -0.097 2.118 1.049) 2.365 2.488 ( -1.913 4.152 0.930) 4.665 2.721 ( -0.033 -0.345 10.029) 10.035 2.848 ( 4.371 1.272 -0.198) 4.557 3.139 ( 0.393 -0.536 4.763) 4.809 3.332 ( 0.889 7.288 0.096) 7.342 3.607 ( 3.035 3.739 3.411) 5.902 4.433 ( -1.260 15.692 -1.882) 15.855 4.655 ( -1.955 9.347 0.194) 9.551 4.805 ( 0.738 8.235 -4.205) 9.276 4.954 ( -0.219 4.722 0.575) 4.762 6.079 ( 0.815 -12.534 3.025) 12.920 6.512 ( 0.482 -0.104 -1.195) 1.293 6.724 ( -3.163 -1.707 0.128) 3.597 7.245 ( 0.093 -18.664 -9.066) 20.749 9.326 ( -1.759 -13.247 2.605) 13.614 9.471 ( -0.906 -8.617 7.225) 11.281 11.316 ( -0.676 -11.381 -9.266) 14.691 12.290 ( -0.268 -20.742 1.361) 20.788 12.980 ( 2.956 6.371 -12.563) 14.393 13.420 ( 5.933 -6.345 -5.462) 10.261 14.806 ( 1.987 10.504 -5.095) 11.842 15.207 ( 2.940 4.609 21.680) 22.358 16.744 ( 3.337 7.379 -3.236) 8.720 17.351 ( -4.020 -1.398 -0.276) 4.265 ======================= Grid point 156 (75/203) ======================= q-point: (-0.12 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -2.319 18.203 1.185) 18.389 1.630 ( 3.290 15.830 -6.466) 17.413 2.095 ( -0.822 11.863 2.317) 12.115 2.144 ( 1.886 4.818 -3.386) 6.183 2.218 ( 0.983 0.073 -3.540) 3.674 2.434 ( -2.128 4.703 0.792) 5.222 2.486 ( 0.302 -0.034 -1.421) 1.453 2.751 ( -0.524 0.384 9.980) 10.002 2.918 ( 2.281 2.045 0.476) 3.100 3.166 ( 0.018 0.282 5.259) 5.267 3.337 ( -0.111 6.183 -0.257) 6.190 3.700 ( 4.214 1.197 2.503) 5.045 4.399 ( -1.587 16.269 -1.119) 16.385 4.624 ( -0.669 9.146 -0.000) 9.171 4.812 ( 1.252 8.677 -3.915) 9.602 4.945 ( -0.735 5.106 0.308) 5.168 6.100 ( 0.158 -12.974 2.925) 13.301 6.523 ( 0.956 1.505 -1.274) 2.191 6.643 ( -4.523 -0.224 1.634) 4.814 7.224 ( 1.113 -18.035 -9.856) 20.582 9.311 ( -0.377 -15.063 1.718) 15.165 9.476 ( -1.115 -8.000 7.674) 11.142 11.280 ( 0.251 -11.214 -8.544) 14.100 12.294 ( 0.243 -21.131 1.304) 21.173 12.990 ( 2.275 7.373 -13.099) 15.203 13.496 ( 3.376 -7.913 -7.325) 11.299 14.814 ( 0.617 9.762 -5.347) 11.147 15.374 ( 4.366 -1.813 23.103) 23.581 16.812 ( 3.654 6.068 -1.297) 7.202 17.267 ( -3.625 0.157 -0.005) 3.629 ======================= Grid point 157 (76/203) ======================= q-point: ( 0.00 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 2.222 16.386 4.308) 17.088 1.928 ( 3.259 6.193 -5.789) 9.082 2.144 ( 1.068 -0.741 -3.627) 3.852 2.247 ( 2.795 -3.096 2.136) 4.686 2.292 ( -3.447 8.581 8.535) 12.584 2.454 ( -0.841 1.216 -0.187) 1.491 2.552 ( -0.026 6.624 -6.128) 9.024 2.746 ( -0.755 -2.071 3.576) 4.201 2.997 ( 0.019 2.937 2.500) 3.857 3.144 ( -1.284 -2.565 3.992) 4.916 3.437 ( -1.528 5.813 -0.739) 6.056 3.674 ( -1.553 -5.529 1.132) 5.854 4.665 ( 0.579 11.402 -0.770) 11.443 4.792 ( 0.990 5.397 0.940) 5.567 4.975 ( 1.494 5.585 -2.341) 6.237 5.031 ( -0.222 3.911 0.253) 3.925 6.022 ( -0.287 4.400 1.670) 4.715 6.499 ( -0.783 -7.054 -2.296) 7.459 6.611 ( -0.565 2.803 0.389) 2.886 6.862 ( 1.477 -16.060 -4.500) 16.744 9.117 ( -0.310 -3.003 4.667) 5.558 9.332 ( -0.998 -8.154 7.322) 11.004 11.181 ( 1.132 3.264 -7.981) 8.697 11.826 ( 0.974 -24.952 -1.892) 25.042 13.134 ( 1.359 7.017 -10.183) 12.440 13.377 ( 0.811 -5.748 -8.244) 10.083 15.010 ( -0.090 10.197 1.423) 10.296 15.365 ( -0.476 -7.479 15.045) 16.808 16.973 ( 0.631 6.167 1.115) 6.299 17.202 ( 0.482 -3.727 0.853) 3.854 ======================= Grid point 158 (77/203) ======================= q-point: ( 0.12 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 2.536 14.502 4.740) 15.466 1.960 ( 1.513 4.440 -5.126) 6.948 2.164 ( 1.878 1.312 -1.867) 2.955 2.232 ( -4.211 7.613 5.345) 10.211 2.301 ( 1.307 -0.592 3.720) 3.987 2.446 ( -0.251 2.776 -0.496) 2.831 2.525 ( -0.336 5.192 -5.077) 7.270 2.734 ( -1.419 -2.575 2.413) 3.804 2.977 ( -2.928 3.221 3.466) 5.564 3.119 ( -2.050 -2.401 3.472) 4.693 3.408 ( -0.881 4.647 -1.254) 4.893 3.629 ( -2.672 -5.838 0.027) 6.421 4.688 ( 1.721 11.511 -0.636) 11.657 4.823 ( 1.381 5.400 2.005) 5.924 4.992 ( 0.679 5.047 -1.886) 5.430 5.031 ( 0.168 4.802 0.301) 4.815 6.013 ( -1.106 4.817 1.718) 5.232 6.477 ( -0.138 -7.116 -3.451) 7.910 6.609 ( 0.121 2.356 -0.013) 2.359 6.882 ( 1.774 -16.707 -3.935) 17.256 9.139 ( 0.723 -3.140 5.175) 6.096 9.340 ( -0.825 -7.716 7.604) 10.864 11.185 ( 2.132 3.410 -8.426) 9.336 11.843 ( 1.108 -25.123 -1.621) 25.200 13.113 ( 0.180 7.060 -9.890) 12.153 13.343 ( -1.150 -5.255 -8.158) 9.772 15.009 ( -0.602 11.254 1.930) 11.434 15.380 ( -3.182 -7.158 14.940) 16.869 16.979 ( -0.484 7.333 1.208) 7.447 17.240 ( 2.565 -4.348 1.166) 5.181 ======================= Grid point 159 (78/203) ======================= q-point: ( 0.25 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 1.393 11.986 2.733) 12.372 1.948 ( -0.985 3.255 -4.981) 6.031 2.169 ( -3.280 6.957 5.268) 9.322 2.199 ( 1.722 3.154 -2.397) 4.319 2.335 ( 1.234 1.373 1.755) 2.547 2.427 ( -0.819 4.664 -2.516) 5.362 2.514 ( 0.182 1.542 -0.902) 1.796 2.706 ( -2.073 -3.656 1.725) 4.542 2.911 ( -4.381 4.722 4.640) 7.939 3.091 ( -1.743 -2.933 3.261) 4.720 3.393 ( -0.267 4.223 -1.270) 4.418 3.580 ( -1.812 -4.567 0.067) 4.914 4.724 ( 1.771 11.283 -0.857) 11.453 4.857 ( 0.994 5.786 2.658) 6.444 4.989 ( -0.253 4.781 -1.545) 5.031 5.037 ( 0.248 5.001 0.048) 5.007 5.992 ( -1.319 5.359 1.604) 5.747 6.466 ( 0.101 -8.062 -3.538) 8.804 6.619 ( 1.275 1.393 -1.391) 2.346 6.904 ( 1.561 -17.290 -3.511) 17.712 9.177 ( 0.946 -3.151 5.672) 6.557 9.349 ( -1.032 -6.670 7.881) 10.376 11.209 ( 3.090 3.007 -8.968) 9.950 11.856 ( 0.659 -24.700 -1.454) 24.752 13.078 ( -0.107 6.562 -9.469) 11.521 13.281 ( -1.951 -4.500 -7.428) 8.901 15.001 ( -0.699 11.639 1.742) 11.789 15.345 ( -4.857 -5.076 13.732) 15.425 16.965 ( -1.043 9.710 0.288) 9.770 17.301 ( 2.624 -5.691 0.951) 6.339 ======================= Grid point 160 (79/203) ======================= q-point: ( 0.38 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 0.511 9.749 -0.182) 9.764 1.892 ( -2.425 3.611 -4.982) 6.614 2.142 ( -1.365 6.194 6.140) 8.827 2.211 ( 1.013 5.192 -4.986) 7.269 2.345 ( -1.071 1.155 -2.502) 2.957 2.427 ( 1.931 2.027 -0.576) 2.858 2.518 ( 0.378 1.508 0.056) 1.555 2.663 ( -2.697 -4.749 3.024) 6.242 2.847 ( -3.433 6.493 5.804) 9.361 3.071 ( -1.277 -3.727 3.171) 5.058 3.387 ( 0.312 5.014 -1.266) 5.181 3.560 ( -0.357 -3.160 1.132) 3.376 4.750 ( 0.998 11.105 -1.309) 11.226 4.878 ( 0.004 6.437 2.774) 7.009 4.976 ( -0.402 4.511 -1.828) 4.884 5.039 ( -0.020 4.575 -0.016) 4.575 5.976 ( -0.745 5.603 1.489) 5.845 6.453 ( -0.259 -8.192 -2.711) 8.633 6.651 ( 2.384 -0.135 -3.118) 3.927 6.918 ( 0.876 -17.618 -3.149) 17.919 9.211 ( 0.105 -3.153 5.846) 6.643 9.352 ( -1.396 -5.529 8.023) 9.843 11.243 ( 3.073 2.135 -9.394) 10.112 11.859 ( 0.090 -23.940 -1.324) 23.976 13.050 ( 0.732 5.618 -9.269) 10.863 13.222 ( -1.080 -3.640 -6.379) 7.423 14.994 ( -0.445 11.128 0.845) 11.169 15.285 ( -5.186 -2.588 11.964) 13.294 16.941 ( -1.034 11.778 -1.095) 11.874 17.346 ( 1.329 -6.857 0.446) 6.999 ======================= Grid point 161 (80/203) ======================= q-point: (-0.50 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -0.983 8.709 -2.589) 9.139 1.828 ( -1.578 4.891 -5.049) 7.205 2.141 ( -0.716 3.664 2.556) 4.525 2.226 ( 1.260 4.704 -1.088) 4.990 2.288 ( -1.909 2.434 -6.330) 7.046 2.473 ( 1.642 0.735 0.970) 2.044 2.544 ( 2.905 0.983 -1.493) 3.411 2.624 ( -2.315 -3.782 4.675) 6.444 2.815 ( -1.580 6.879 6.252) 9.429 3.060 ( -0.790 -4.391 3.125) 5.446 3.403 ( 1.557 6.081 -0.627) 6.309 3.568 ( 0.444 -1.804 2.413) 3.045 4.752 ( -0.267 10.928 -1.721) 11.066 4.877 ( -0.908 6.537 2.260) 6.976 4.959 ( -0.469 4.645 -2.372) 5.237 5.039 ( 0.044 3.868 0.076) 3.869 5.973 ( -0.044 5.336 1.568) 5.562 6.442 ( 0.179 -7.567 -2.473) 7.963 6.689 ( 2.227 -1.378 -3.372) 4.270 6.915 ( -0.151 -17.478 -2.998) 17.734 9.217 ( -1.508 -2.999 5.623) 6.548 9.349 ( -1.528 -5.051 7.917) 9.515 11.262 ( 1.823 1.498 -9.336) 9.629 11.852 ( -0.283 -23.467 -1.436) 23.513 13.046 ( 2.047 4.799 -9.405) 10.755 13.202 ( 1.388 -3.212 -5.635) 6.633 14.989 ( -0.089 9.943 -0.313) 9.949 15.225 ( -4.202 -0.730 10.718) 11.535 16.919 ( -0.449 12.620 -2.092) 12.800 17.355 ( -0.489 -7.450 -0.025) 7.466 ======================= Grid point 162 (81/203) ======================= q-point: (-0.38 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -3.092 10.273 -3.085) 11.163 1.807 ( 1.235 5.929 -5.642) 8.277 2.123 ( -0.879 0.371 -1.650) 1.906 2.203 ( -1.123 -2.870 -5.876) 6.635 2.285 ( 1.159 10.000 2.196) 10.304 2.494 ( 0.270 1.273 1.385) 1.900 2.596 ( -0.604 0.748 0.479) 1.075 2.628 ( 3.657 -2.232 2.249) 4.838 2.830 ( 1.086 5.782 5.448) 8.018 3.064 ( 0.201 -4.341 3.213) 5.404 3.442 ( 2.027 6.480 0.415) 6.802 3.593 ( 1.007 -0.625 3.362) 3.565 4.729 ( -1.155 10.727 -1.853) 10.947 4.855 ( -1.879 5.732 1.172) 6.145 4.944 ( -0.021 5.475 -2.673) 6.093 5.041 ( 0.059 3.228 0.121) 3.231 5.983 ( 0.390 4.789 1.723) 5.105 6.447 ( 1.269 -6.743 -2.637) 7.351 6.711 ( 0.646 -1.694 -1.801) 2.556 6.892 ( -0.838 -16.999 -3.651) 17.407 9.191 ( -2.685 -2.638 5.165) 6.391 9.345 ( -1.604 -5.635 7.579) 9.579 11.251 ( 0.319 1.629 -8.739) 8.895 11.839 ( -0.370 -23.514 -1.899) 23.593 13.066 ( 3.057 4.866 -9.590) 11.180 13.239 ( 3.936 -3.896 -5.822) 8.035 14.988 ( 0.266 8.734 -0.974) 8.792 15.198 ( -1.908 -0.395 10.911) 11.084 16.911 ( 0.418 11.892 -2.147) 12.091 17.327 ( -2.128 -7.253 -0.268) 7.563 ======================= Grid point 163 (82/203) ======================= q-point: (-0.25 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -2.941 13.636 -2.067) 14.102 1.829 ( 2.833 7.031 -6.246) 9.821 2.120 ( 1.413 -2.576 -0.677) 3.015 2.168 ( -0.176 -3.488 -6.718) 7.572 2.309 ( -0.232 9.733 5.323) 11.096 2.498 ( -0.606 0.533 2.082) 2.233 2.582 ( -0.210 4.120 -2.996) 5.098 2.702 ( 1.886 -1.638 4.451) 5.104 2.895 ( 3.265 3.986 3.087) 6.006 3.093 ( 1.293 -3.766 3.782) 5.491 3.475 ( 0.546 6.573 1.173) 6.699 3.634 ( 1.721 -0.805 3.266) 3.778 4.698 ( -1.197 10.466 -1.633) 10.660 4.813 ( -2.097 5.352 0.123) 5.749 4.942 ( 0.735 5.984 -2.710) 6.610 5.041 ( -0.146 2.947 0.095) 2.953 5.999 ( 0.530 4.385 1.750) 4.751 6.474 ( 2.094 -6.106 -2.606) 6.961 6.695 ( -2.068 -1.081 0.616) 2.414 6.864 ( -0.108 -16.254 -5.034) 17.016 9.151 ( -2.665 -2.501 4.686) 5.943 9.337 ( -1.626 -6.770 7.268) 10.065 11.221 ( -0.177 2.298 -8.053) 8.377 11.826 ( -0.139 -23.932 -2.290) 24.042 13.099 ( 3.359 5.648 -9.867) 11.855 13.309 ( 4.535 -5.112 -6.721) 9.585 14.993 ( 0.493 8.334 -0.613) 8.371 15.227 ( 0.675 -2.217 12.359) 12.575 16.921 ( 1.186 9.850 -1.262) 10.001 17.272 ( -2.881 -6.236 -0.179) 6.872 ======================= Grid point 164 (83/203) ======================= q-point: (-0.12 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -0.473 16.239 1.063) 16.281 1.876 ( 3.679 7.318 -6.324) 10.348 2.145 ( 0.360 -3.932 -4.803) 6.218 2.175 ( 3.136 -2.573 0.957) 4.168 2.314 ( -1.472 9.051 6.997) 11.535 2.481 ( -1.564 0.381 1.333) 2.090 2.568 ( 0.325 6.250 -5.500) 8.332 2.738 ( 0.219 -1.681 4.623) 4.925 2.964 ( 2.267 3.176 2.045) 4.405 3.133 ( 0.817 -3.179 4.271) 5.386 3.469 ( -1.260 6.608 0.607) 6.754 3.675 ( 0.862 -3.103 2.414) 4.025 4.672 ( -0.750 10.678 -1.164) 10.768 4.784 ( -0.530 5.488 0.033) 5.513 4.954 ( 1.316 5.945 -2.658) 6.644 5.036 ( -0.300 3.184 0.114) 3.200 6.015 ( 0.326 4.271 1.669) 4.597 6.504 ( 1.286 -6.432 -2.227) 6.927 6.642 ( -2.728 0.835 1.117) 3.064 6.855 ( 0.866 -15.686 -5.144) 16.531 9.121 ( -1.664 -2.709 4.467) 5.483 9.331 ( -1.375 -7.779 7.176) 10.672 11.194 ( 0.345 2.892 -7.777) 8.304 11.820 ( 0.379 -24.471 -2.232) 24.576 13.128 ( 2.674 6.493 -10.155) 12.347 13.365 ( 3.093 -5.793 -7.689) 10.112 15.003 ( 0.402 8.996 0.433) 9.016 15.300 ( 1.413 -5.357 14.043) 15.097 16.948 ( 1.441 7.396 0.079) 7.536 17.218 ( -2.049 -4.701 0.260) 5.135 ======================= Grid point 165 (84/203) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 1.683 -11.181 1.024) 11.353 1.856 ( 1.683 11.181 1.024) 11.353 2.179 ( 2.856 -3.424 -1.929) 4.858 2.179 ( 2.856 3.424 -1.929) 4.858 2.424 ( -2.269 -4.426 6.607) 8.269 2.424 ( -2.269 4.426 6.607) 8.269 2.676 ( 0.195 -5.112 -4.538) 6.839 2.676 ( 0.195 5.112 -4.538) 6.839 3.072 ( -0.556 -4.225 3.380) 5.439 3.072 ( -0.556 4.225 3.380) 5.439 3.557 ( -2.215 -6.054 0.218) 6.450 3.557 ( -2.215 6.054 0.218) 6.450 4.814 ( 0.926 -3.290 -0.218) 3.425 4.814 ( 0.926 3.290 -0.218) 3.425 5.054 ( 0.631 -1.757 -0.502) 1.933 5.054 ( 0.631 1.757 -0.502) 1.933 6.239 ( 0.217 -15.495 -1.838) 15.605 6.239 ( 0.217 15.495 -1.838) 15.605 6.676 ( -0.352 -4.351 0.074) 4.366 6.676 ( -0.352 4.351 0.074) 4.366 9.171 ( -0.744 -6.899 6.262) 9.347 9.171 ( -0.744 6.899 6.262) 9.347 11.390 ( 1.120 -17.211 -5.448) 18.087 11.390 ( 1.120 17.211 -5.448) 18.087 13.262 ( 1.150 -5.949 -8.789) 10.675 13.262 ( 1.150 5.949 -8.789) 10.675 15.201 ( -0.147 -8.922 7.851) 11.885 15.201 ( -0.147 8.922 7.851) 11.885 17.099 ( 0.549 -6.126 1.292) 6.285 17.099 ( 0.549 6.126 1.292) 6.285 ======================= Grid point 167 (85/203) ======================= q-point: ( 0.12 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 0.875 -9.561 1.501) 9.718 1.890 ( 0.875 9.561 1.501) 9.718 2.219 ( 1.556 -3.660 -2.073) 4.485 2.219 ( 1.556 3.660 -2.073) 4.485 2.407 ( -1.636 -5.767 8.005) 10.001 2.407 ( -1.636 5.767 8.005) 10.001 2.653 ( -0.830 -5.745 -5.356) 7.898 2.653 ( -0.830 5.745 -5.356) 7.898 3.053 ( -2.334 -3.955 3.711) 5.904 3.053 ( -2.334 3.955 3.711) 5.904 3.512 ( -1.698 -5.676 -1.372) 6.081 3.512 ( -1.698 5.676 -1.372) 6.081 4.842 ( 1.593 -3.572 0.468) 3.940 4.842 ( 1.593 3.572 0.468) 3.940 5.064 ( 0.390 -1.489 -0.168) 1.548 5.064 ( 0.390 1.489 -0.168) 1.548 6.232 ( -0.317 -14.993 -1.708) 15.094 6.232 ( -0.317 14.993 -1.708) 15.094 6.673 ( 0.124 -5.008 -0.477) 5.032 6.673 ( 0.124 5.008 -0.477) 5.032 9.188 ( 0.126 -6.485 6.598) 9.252 9.188 ( 0.126 6.485 6.598) 9.252 11.400 ( 1.703 -17.592 -5.492) 18.508 11.400 ( 1.703 17.592 -5.492) 18.508 13.238 ( -0.482 -5.556 -8.571) 10.225 13.238 ( -0.482 5.556 -8.571) 10.225 15.214 ( -1.321 -9.349 7.976) 12.360 15.214 ( -1.321 9.349 7.976) 12.360 17.124 ( 1.229 -6.922 1.565) 7.203 17.124 ( 1.229 6.922 1.565) 7.203 ======================= Grid point 169 (86/203) ======================= q-point: ( 0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -0.643 -7.321 0.256) 7.354 1.895 ( -0.643 7.321 0.256) 7.354 2.228 ( 0.187 -1.542 -1.817) 2.391 2.228 ( 0.187 1.542 -1.817) 2.391 2.415 ( -0.461 -4.885 7.549) 9.004 2.415 ( -0.461 4.885 7.549) 9.004 2.607 ( -1.677 -6.052 -4.868) 7.946 2.607 ( -1.677 6.052 -4.868) 7.946 3.012 ( -2.759 -4.823 4.051) 6.876 3.012 ( -2.759 4.823 4.051) 6.876 3.484 ( -0.412 -4.837 -1.836) 5.191 3.484 ( -0.412 4.837 -1.836) 5.191 4.878 ( 1.508 -3.698 0.708) 4.056 4.878 ( 1.508 3.698 0.708) 4.056 5.066 ( -0.185 -1.941 -0.035) 1.950 5.066 ( -0.185 1.941 -0.035) 1.950 6.216 ( -0.558 -14.990 -1.355) 15.061 6.216 ( -0.558 14.990 -1.355) 15.061 6.678 ( 0.717 -5.521 -1.355) 5.730 6.678 ( 0.717 5.521 -1.355) 5.730 9.217 ( 0.258 -5.630 6.913) 8.920 9.217 ( 0.258 5.630 6.913) 8.920 11.419 ( 1.930 -17.410 -5.582) 18.384 11.419 ( 1.930 17.410 -5.582) 18.384 13.190 ( -1.096 -4.862 -8.083) 9.496 13.190 ( -1.096 4.862 -8.083) 9.496 15.204 ( -2.125 -8.761 7.022) 11.427 15.204 ( -2.125 8.761 7.022) 11.427 17.154 ( 1.026 -8.772 1.099) 8.900 17.154 ( 1.026 8.772 1.099) 8.900 ======================= Grid point 171 (87/203) ======================= q-point: ( 0.38 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -1.270 -4.938 -1.526) 5.323 1.872 ( -1.270 4.938 -1.526) 5.323 2.221 ( -0.314 -2.470 -1.026) 2.693 2.221 ( -0.314 2.470 -1.026) 2.693 2.425 ( -0.526 -3.346 2.471) 4.193 2.425 ( -0.526 3.346 2.471) 4.193 2.566 ( -0.885 -4.147 -0.880) 4.331 2.566 ( -0.885 4.147 -0.880) 4.331 2.974 ( -2.251 -5.862 4.196) 7.552 2.974 ( -2.251 5.862 4.196) 7.552 3.483 ( 0.784 -4.425 -1.169) 4.644 3.483 ( 0.784 4.425 -1.169) 4.644 4.903 ( 0.660 -3.758 0.425) 3.839 4.903 ( 0.660 3.758 0.425) 3.839 5.058 ( -0.529 -2.542 -0.116) 2.599 5.058 ( -0.529 2.542 -0.116) 2.599 6.202 ( -0.379 -15.007 -1.076) 15.051 6.202 ( -0.379 15.007 -1.076) 15.051 6.691 ( 1.048 -5.179 -1.941) 5.630 6.691 ( 1.048 5.179 -1.941) 5.630 9.242 ( -0.409 -4.770 7.036) 8.510 9.242 ( -0.409 4.770 7.036) 8.510 11.437 ( 1.590 -16.670 -5.668) 17.679 11.437 ( 1.590 16.670 -5.668) 17.679 13.145 ( -0.285 -4.161 -7.598) 8.667 13.145 ( -0.285 4.161 -7.598) 8.667 15.179 ( -2.352 -7.528 5.444) 9.583 15.179 ( -2.352 7.528 5.444) 9.583 17.170 ( 0.245 -10.533 0.234) 10.539 17.170 ( 0.245 10.533 0.234) 10.539 ======================= Grid point 173 (88/203) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -0.974 -3.405 -2.954) 4.612 1.839 ( -0.974 3.405 -2.954) 4.612 2.198 ( -1.581 -2.722 -2.675) 4.132 2.198 ( -1.581 2.722 -2.675) 4.132 2.427 ( 0.531 -5.939 1.482) 6.144 2.427 ( 0.531 5.939 1.482) 6.144 2.566 ( 0.750 -1.681 0.912) 2.054 2.566 ( 0.750 1.681 0.912) 2.054 2.952 ( -1.201 -6.367 4.146) 7.693 2.952 ( -1.201 6.367 4.146) 7.693 3.507 ( 1.639 -4.224 0.225) 4.537 3.507 ( 1.639 4.224 0.225) 4.537 4.904 ( -0.696 -3.741 -0.199) 3.810 4.904 ( -0.696 3.741 -0.199) 3.810 5.047 ( -0.356 -2.991 -0.287) 3.026 5.047 ( -0.356 2.991 -0.287) 3.026 6.195 ( 0.138 -14.927 -1.069) 14.965 6.195 ( 0.138 14.927 -1.069) 14.965 6.704 ( 0.809 -3.992 -1.876) 4.484 6.704 ( 0.809 3.992 -1.876) 4.484 9.247 ( -1.485 -4.526 6.894) 8.379 9.247 ( -1.485 4.526 6.894) 8.379 11.442 ( 0.799 -15.972 -5.707) 16.980 11.442 ( 0.799 15.972 -5.707) 16.980 13.131 ( 1.579 -3.878 -7.395) 8.498 13.131 ( 1.579 3.878 -7.395) 8.498 15.150 ( -1.988 -6.238 4.130) 7.741 15.150 ( -1.988 6.238 4.130) 7.741 17.165 ( -0.609 -11.358 -0.495) 11.385 17.165 ( -0.609 11.358 -0.495) 11.385 ======================= Grid point 175 (89/203) ======================= q-point: (-0.38 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 0.018 -4.720 -3.474) 5.861 1.817 ( 0.018 4.720 -3.474) 5.861 2.143 ( -1.955 -2.426 -4.820) 5.739 2.143 ( -1.955 2.426 -4.820) 5.739 2.450 ( -0.020 -5.917 5.490) 8.072 2.450 ( -0.020 5.917 5.490) 8.072 2.602 ( 2.818 -0.979 -1.739) 3.453 2.602 ( 2.818 0.979 -1.739) 3.453 2.957 ( 0.438 -6.247 4.018) 7.440 2.957 ( 0.438 6.247 4.018) 7.440 3.547 ( 1.776 -3.887 1.656) 4.584 3.547 ( 1.776 3.887 1.656) 4.584 4.876 ( -1.692 -3.527 -0.807) 3.994 4.876 ( -1.692 3.527 -0.807) 3.994 5.042 ( -0.050 -3.212 -0.535) 3.257 5.042 ( -0.050 3.212 -0.535) 3.257 6.201 ( 0.800 -15.115 -1.254) 15.188 6.201 ( 0.800 15.115 -1.254) 15.188 6.709 ( 0.103 -2.446 -1.296) 2.770 6.709 ( 0.103 2.446 -1.296) 2.770 9.230 ( -2.362 -5.102 6.557) 8.638 9.230 ( -2.362 5.102 6.557) 8.638 11.430 ( 0.085 -15.836 -5.678) 16.824 11.430 ( 0.085 15.836 -5.678) 16.824 13.157 ( 3.360 -4.329 -7.600) 9.370 13.157 ( 3.360 4.329 -7.600) 9.370 15.132 ( -1.009 -5.615 3.948) 6.938 15.132 ( -1.009 5.615 3.948) 6.938 17.144 ( -1.193 -10.837 -0.723) 10.926 17.144 ( -1.193 10.837 -0.723) 10.926 ======================= Grid point 177 (90/203) ======================= q-point: (-0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 0.705 -8.332 -2.907) 8.852 1.814 ( 0.705 8.332 -2.907) 8.852 2.106 ( 0.279 -2.399 -4.484) 5.093 2.106 ( 0.279 2.399 -4.484) 5.093 2.457 ( -1.263 -4.838 6.495) 8.196 2.457 ( -1.263 4.838 6.495) 8.196 2.653 ( 2.446 -3.123 -2.925) 4.929 2.653 ( 2.446 3.123 -2.925) 4.929 2.998 ( 1.952 -5.538 3.759) 6.972 2.998 ( 1.952 5.538 3.759) 6.972 3.583 ( 0.816 -4.126 2.360) 4.823 3.583 ( 0.816 4.126 2.360) 4.823 4.836 ( -1.604 -3.099 -1.114) 3.663 4.836 ( -1.604 3.099 -1.114) 3.663 5.041 ( 0.191 -3.035 -0.774) 3.138 5.041 ( 0.191 3.035 -0.774) 3.138 6.217 ( 1.183 -15.658 -1.487) 15.773 6.217 ( 1.183 15.658 -1.487) 15.773 6.700 ( -0.537 -2.365 -0.559) 2.488 6.700 ( -0.537 2.365 -0.559) 2.488 9.201 ( -2.522 -6.015 6.226) 9.017 9.201 ( -2.522 6.015 6.226) 9.017 11.410 ( -0.034 -16.198 -5.585) 17.134 11.410 ( -0.034 16.198 -5.585) 17.134 13.207 ( 3.900 -5.187 -8.110) 10.386 13.207 ( 3.900 5.187 -8.110) 10.386 15.139 ( 0.150 -6.153 5.046) 7.958 15.139 ( 0.150 6.153 5.046) 7.958 17.115 ( -1.231 -9.155 -0.346) 9.244 17.115 ( -1.231 9.155 -0.346) 9.244 ======================= Grid point 179 (91/203) ======================= q-point: (-0.12 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 1.166 -11.131 -1.049) 11.241 1.825 ( 1.166 11.131 -1.049) 11.241 2.126 ( 2.692 -2.513 -2.971) 4.732 2.126 ( 2.692 2.513 -2.971) 4.732 2.446 ( -1.942 -4.170 6.277) 7.782 2.446 ( -1.942 4.170 6.277) 7.782 2.677 ( 1.116 -4.436 -3.593) 5.817 2.677 ( 1.116 4.436 -3.593) 5.817 3.050 ( 1.470 -4.838 3.414) 6.101 3.050 ( 1.470 4.838 3.414) 6.101 3.589 ( -1.020 -5.299 1.843) 5.703 3.589 ( -1.020 5.299 1.843) 5.703 4.810 ( -0.413 -2.944 -0.909) 3.109 4.810 ( -0.413 2.944 -0.909) 3.109 5.045 ( 0.455 -2.471 -0.782) 2.631 5.045 ( 0.455 2.471 -0.782) 2.631 6.234 ( 0.881 -15.957 -1.712) 16.073 6.234 ( 0.881 15.957 -1.712) 16.073 6.686 ( -0.642 -3.644 -0.001) 3.700 6.686 ( -0.642 3.644 -0.001) 3.700 9.176 ( -1.849 -6.717 6.104) 9.263 9.176 ( -1.849 6.717 6.104) 9.263 11.394 ( 0.436 -16.692 -5.483) 17.575 11.394 ( 0.436 16.692 -5.483) 17.575 13.250 ( 2.940 -5.835 -8.608) 10.806 13.250 ( 2.940 5.835 -8.608) 10.806 15.169 ( 0.572 -7.580 6.681) 10.121 15.169 ( 0.572 7.580 6.681) 10.121 17.096 ( -0.546 -7.141 0.474) 7.177 17.096 ( -0.546 7.141 0.474) 7.178 ======================= Grid point 221 (92/203) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -6.718 0.000 13.620) 15.187 0.867 ( -6.640 0.000 19.765) 20.851 1.318 ( -3.319 0.000 27.143) 27.345 1.530 ( -1.934 0.000 -7.779) 8.016 1.985 ( 4.367 0.000 -10.835) 11.682 2.174 ( -0.065 0.000 -1.679) 1.680 2.369 ( 7.142 0.000 0.762) 7.182 2.738 ( -1.609 0.000 4.642) 4.913 2.840 ( 4.057 0.000 -7.410) 8.448 2.948 ( 0.368 0.000 0.187) 0.413 3.132 ( -0.643 0.000 9.979) 10.000 3.232 ( -0.087 0.000 -0.789) 0.794 3.663 ( 7.546 0.000 6.763) 10.133 4.112 ( 8.354 0.000 -7.919) 11.510 4.343 ( -2.424 0.000 -3.849) 4.548 4.704 ( -1.434 0.000 -2.743) 3.095 6.394 ( -1.058 0.000 1.191) 1.593 6.503 ( -5.594 0.000 -0.905) 5.666 7.779 ( 0.737 0.000 -4.884) 4.939 8.297 ( -3.423 0.000 -4.752) 5.856 9.741 ( -1.117 0.000 6.800) 6.891 10.053 ( -4.691 0.000 16.811) 17.453 10.848 ( 1.676 0.000 -8.106) 8.277 11.861 ( 2.237 0.000 -13.733) 13.914 12.965 ( -1.230 0.000 7.489) 7.589 14.405 ( 0.429 0.000 0.366) 0.563 14.917 ( -27.484 0.000 0.048) 27.484 15.774 ( -0.008 0.000 -0.233) 0.233 16.342 ( 12.029 0.000 -6.650) 13.745 17.013 ( 7.069 0.000 5.596) 9.016 ======================= Grid point 222 (93/203) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 9.704 0.000 8.340) 12.796 0.819 ( -4.458 0.000 19.121) 19.634 1.353 ( -3.037 0.000 26.790) 26.962 1.504 ( 1.934 0.000 -8.481) 8.699 2.004 ( 0.845 0.000 -8.818) 8.858 2.204 ( 3.558 0.000 -3.117) 4.730 2.480 ( 2.691 0.000 -0.273) 2.705 2.717 ( -1.963 0.000 4.730) 5.121 2.791 ( -4.332 0.000 -4.445) 6.206 2.967 ( 1.207 0.000 0.513) 1.312 3.145 ( -1.299 0.000 9.145) 9.237 3.227 ( -0.074 0.000 -0.817) 0.820 3.650 ( -5.511 0.000 -0.130) 5.512 4.246 ( -5.033 0.000 -5.155) 7.205 4.314 ( 7.966 0.000 -3.475) 8.691 4.668 ( -1.067 0.000 -2.412) 2.638 6.434 ( 4.341 0.000 2.303) 4.914 6.579 ( 12.170 0.000 -6.364) 13.734 7.753 ( -1.805 0.000 -4.798) 5.127 8.163 ( -7.503 0.000 1.511) 7.654 9.744 ( -0.941 0.000 6.814) 6.878 10.034 ( -2.776 0.000 17.530) 17.749 10.915 ( 6.998 0.000 -9.893) 12.118 11.862 ( 2.524 0.000 -13.704) 13.934 12.969 ( -1.022 0.000 7.466) 7.536 14.263 ( -22.582 0.000 15.701) 27.504 14.494 ( -6.039 0.000 8.732) 10.617 15.773 ( -0.041 0.000 -0.209) 0.213 16.400 ( -0.596 0.000 -11.431) 11.446 17.057 ( -2.863 0.000 2.042) 3.517 ======================= Grid point 223 (94/203) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -1.381 0.000 16.353) 16.411 0.893 ( 13.058 0.000 -0.670) 13.075 1.372 ( -3.701 0.000 22.774) 23.072 1.542 ( 4.004 0.000 -5.183) 6.550 1.973 ( -0.929 0.000 -6.313) 6.381 2.275 ( 4.208 0.000 -4.574) 6.215 2.464 ( -3.740 0.000 1.723) 4.117 2.690 ( -3.668 0.000 -4.731) 5.986 2.694 ( -1.692 0.000 4.624) 4.924 2.997 ( 1.347 0.000 1.032) 1.697 3.148 ( -1.644 0.000 9.695) 9.833 3.223 ( -0.014 0.000 -0.942) 0.942 3.524 ( -5.338 0.000 -4.372) 6.900 4.129 ( -4.258 0.000 -3.475) 5.496 4.398 ( 1.539 0.000 0.481) 1.612 4.654 ( 0.967 0.000 -2.956) 3.110 6.525 ( 3.131 0.000 3.711) 4.855 6.865 ( 16.227 0.000 -13.024) 20.807 7.685 ( -2.600 0.000 -3.696) 4.519 8.034 ( -5.637 0.000 2.828) 6.307 9.749 ( -0.899 0.000 6.848) 6.907 10.050 ( -2.371 0.000 18.572) 18.723 11.033 ( 7.498 0.000 -11.722) 13.915 11.868 ( 2.708 0.000 -13.698) 13.963 12.975 ( -0.967 0.000 7.471) 7.534 13.921 ( -15.550 0.000 30.280) 34.040 14.462 ( -1.753 0.000 3.093) 3.555 15.772 ( -0.032 0.000 -0.172) 0.175 16.287 ( -5.085 0.000 -15.309) 16.132 16.979 ( -4.231 0.000 1.168) 4.389 ======================= Grid point 224 (95/203) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.728 0.000 13.174) 13.194 1.090 ( 6.019 0.000 -3.903) 7.174 1.362 ( -3.735 0.000 16.864) 17.273 1.627 ( 5.115 0.000 -1.949) 5.474 1.928 ( -1.335 0.000 -5.059) 5.232 2.331 ( 2.547 0.000 -4.645) 5.298 2.391 ( -3.168 0.000 1.520) 3.513 2.586 ( -5.232 0.000 -4.940) 7.196 2.683 ( -0.866 0.000 4.278) 4.365 3.024 ( 0.728 0.000 1.544) 1.708 3.133 ( -3.137 0.000 7.649) 8.267 3.221 ( 0.146 0.000 -1.168) 1.177 3.421 ( -2.712 0.000 -4.199) 4.999 4.037 ( -4.202 0.000 -0.845) 4.286 4.420 ( 1.061 0.000 1.199) 1.601 4.688 ( 3.336 0.000 -4.674) 5.743 6.582 ( 0.856 0.000 4.424) 4.506 7.100 ( 10.511 0.000 -12.566) 16.383 7.649 ( 0.930 0.000 -4.408) 4.505 7.949 ( -3.204 0.000 1.321) 3.466 9.754 ( -1.017 0.000 6.883) 6.957 10.057 ( -3.515 0.000 19.583) 19.896 11.124 ( 4.904 0.000 -10.890) 11.944 11.876 ( 2.682 0.000 -13.720) 13.980 12.980 ( -1.097 0.000 7.501) 7.581 13.838 ( -4.009 0.000 33.824) 34.060 14.429 ( -1.996 0.000 1.130) 2.294 15.771 ( 0.015 0.000 -0.142) 0.142 16.106 ( -5.860 0.000 -20.385) 21.210 16.909 ( -2.835 0.000 0.605) 2.899 ======================= Grid point 225 (96/203) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 1.034 0.000 11.516) 11.562 1.110 ( -3.273 0.000 2.833) 4.329 1.358 ( -0.276 0.000 6.520) 6.526 1.725 ( 4.579 0.000 0.137) 4.582 1.886 ( -0.944 0.000 -4.746) 4.839 2.332 ( -3.887 0.000 0.055) 3.888 2.343 ( 0.148 0.000 -4.167) 4.170 2.439 ( -7.064 0.000 -3.179) 7.746 2.690 ( 0.158 0.000 3.752) 3.755 3.033 ( -0.530 0.000 1.726) 1.806 3.081 ( -3.033 0.000 3.071) 4.316 3.222 ( 0.455 0.000 -1.272) 1.351 3.375 ( -2.158 0.000 1.695) 2.744 3.968 ( -1.402 0.000 -0.589) 1.520 4.455 ( 1.675 0.000 1.049) 1.976 4.744 ( 3.590 0.000 -5.980) 6.975 6.588 ( -1.867 0.000 5.027) 5.362 7.209 ( 4.437 0.000 -11.901) 12.701 7.685 ( 3.725 0.000 -6.226) 7.255 7.921 ( 0.506 0.000 0.586) 0.775 9.755 ( -1.224 0.000 6.897) 7.005 10.048 ( -3.974 0.000 20.416) 20.800 11.152 ( 1.382 0.000 -10.072) 10.166 11.880 ( 2.461 0.000 -13.757) 13.976 12.982 ( -1.338 0.000 7.538) 7.656 13.975 ( 4.818 0.000 36.464) 36.781 14.403 ( -0.314 0.000 0.472) 0.567 15.771 ( 0.071 0.000 -0.137) 0.154 15.919 ( -4.320 0.000 -24.581) 24.958 16.864 ( -1.829 0.000 0.612) 1.928 ======================= Grid point 226 (97/203) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -0.641 0.000 12.317) 12.334 1.013 ( -7.482 0.000 9.240) 11.889 1.386 ( 0.996 0.000 1.145) 1.517 1.820 ( 4.318 0.000 1.921) 4.726 1.861 ( 0.461 0.000 -5.585) 5.604 2.189 ( -9.915 0.000 2.468) 10.218 2.313 ( -1.570 0.000 -3.763) 4.077 2.315 ( -3.539 0.000 -1.279) 3.763 2.712 ( 0.595 0.000 3.486) 3.536 3.015 ( -1.629 0.000 1.398) 2.147 3.053 ( -0.436 0.000 2.598) 2.634 3.229 ( 0.557 0.000 -1.104) 1.236 3.330 ( -3.111 0.000 6.075) 6.825 3.989 ( 3.656 0.000 -3.581) 5.118 4.481 ( 0.349 0.000 0.018) 0.349 4.783 ( 1.974 0.000 -5.478) 5.822 6.545 ( -3.743 0.000 4.660) 5.977 7.199 ( -1.381 0.000 -12.915) 12.989 7.734 ( 2.836 0.000 -6.295) 6.904 7.987 ( 5.775 0.000 0.039) 5.775 9.752 ( -1.399 0.000 6.883) 7.024 10.045 ( -3.212 0.000 20.900) 21.146 11.115 ( -1.122 0.000 -11.299) 11.354 11.880 ( 2.174 0.000 -13.787) 13.958 12.978 ( -1.547 0.000 7.561) 7.718 14.244 ( 6.657 0.000 24.731) 25.612 14.480 ( 9.395 0.000 16.743) 19.199 15.756 ( -2.812 0.000 -26.804) 26.951 15.773 ( 0.105 0.000 -0.160) 0.191 16.833 ( -1.505 0.000 0.910) 1.759 ======================= Grid point 227 (98/203) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -8.733 0.000 11.233) 14.228 0.987 ( -3.736 0.000 15.109) 15.564 1.378 ( -3.276 0.000 6.206) 7.017 1.829 ( -8.034 0.000 3.243) 8.664 1.871 ( 2.777 0.000 -7.489) 7.987 2.087 ( 3.726 0.000 1.103) 3.886 2.260 ( -2.182 0.000 -3.413) 4.051 2.317 ( 5.028 0.000 4.746) 6.914 2.735 ( 0.284 0.000 3.710) 3.721 2.981 ( -1.823 0.000 0.832) 2.004 3.075 ( 0.780 0.000 5.442) 5.498 3.235 ( 0.317 0.000 -0.905) 0.959 3.316 ( 0.091 0.000 6.962) 6.963 4.059 ( 3.960 0.000 -5.591) 6.851 4.461 ( -1.953 0.000 -2.067) 2.843 4.783 ( -0.390 0.000 -3.736) 3.757 6.476 ( -4.069 0.000 3.303) 5.241 7.055 ( -8.193 0.000 -13.005) 15.371 7.757 ( 1.648 0.000 -5.596) 5.834 8.142 ( 8.835 0.000 -2.002) 9.059 9.747 ( -1.441 0.000 6.849) 6.999 10.062 ( -2.334 0.000 20.202) 20.337 11.030 ( -2.867 0.000 -13.177) 13.485 11.874 ( 1.990 0.000 -13.793) 13.936 12.972 ( -1.601 0.000 7.556) 7.724 14.346 ( 1.730 0.000 2.609) 3.131 14.999 ( 28.106 0.000 40.101) 48.969 15.602 ( -3.708 0.000 -26.279) 26.539 15.774 ( 0.095 0.000 -0.198) 0.219 16.812 ( -0.777 0.000 2.273) 2.402 ======================= Grid point 228 (99/203) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -11.396 0.000 10.668) 15.610 0.939 ( -6.350 0.000 18.129) 19.209 1.322 ( -5.425 0.000 20.011) 20.734 1.645 ( -7.445 0.000 -2.381) 7.816 1.921 ( 4.747 0.000 -9.570) 10.683 2.206 ( -1.861 0.000 -2.663) 3.249 2.216 ( 6.642 0.000 2.078) 6.959 2.597 ( 18.041 0.000 1.151) 18.077 2.746 ( -0.626 0.000 4.245) 4.291 2.953 ( -0.956 0.000 0.309) 1.005 3.107 ( -0.250 0.000 9.023) 9.026 3.235 ( 0.035 0.000 -0.811) 0.812 3.410 ( 7.448 0.000 8.964) 11.654 4.088 ( 0.680 0.000 -6.498) 6.534 4.400 ( -2.497 0.000 -3.216) 4.072 4.747 ( -1.724 0.000 -2.749) 3.245 6.415 ( -2.300 0.000 1.921) 2.997 6.776 ( -14.383 0.000 -9.172) 17.058 7.770 ( 1.513 0.000 -4.970) 5.196 8.292 ( 5.685 0.000 -5.593) 7.975 9.742 ( -1.325 0.000 6.814) 6.942 10.078 ( -3.106 0.000 18.000) 18.266 10.912 ( -3.621 0.000 -11.704) 12.251 11.866 ( 2.016 0.000 -13.770) 13.917 12.967 ( -1.470 0.000 7.526) 7.668 14.381 ( 1.365 0.000 0.474) 1.445 15.372 ( -12.188 0.000 -20.139) 23.541 15.775 ( 0.048 0.000 -0.228) 0.233 15.811 ( 35.229 0.000 21.867) 41.464 16.844 ( 3.571 0.000 6.550) 7.461 ======================= Grid point 229 (100/203) ======================= q-point: ( 0.00 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -4.788 -1.169 11.896) 12.877 0.825 ( -2.248 1.392 18.035) 18.228 1.486 ( 0.912 2.975 -7.413) 8.039 1.561 ( -6.448 11.378 17.338) 21.717 1.963 ( 2.822 -0.021 -6.715) 7.284 2.223 ( -1.371 4.024 -1.361) 4.464 2.441 ( 5.686 4.786 -0.348) 7.440 2.614 ( 3.541 -6.903 -0.828) 7.802 2.875 ( 0.638 7.857 2.429) 8.249 3.096 ( 1.093 1.591 5.618) 5.940 3.151 ( -1.832 6.908 3.701) 8.048 3.329 ( -0.341 9.055 -0.540) 9.078 3.704 ( 8.484 3.997 8.091) 12.386 4.125 ( 4.450 2.413 -7.495) 9.045 4.348 ( -2.118 0.680 -4.222) 4.772 4.706 ( -1.654 0.472 -2.141) 2.746 6.398 ( -0.222 0.609 1.050) 1.234 6.504 ( -4.603 0.159 -0.783) 4.671 7.585 ( -0.278 -16.970 -2.489) 17.154 7.954 ( -1.824 -21.826 1.020) 21.926 9.833 ( 0.582 -2.043 8.452) 8.715 10.562 ( 5.622 8.407 -11.954) 15.658 10.845 ( -6.539 30.779 -10.565) 33.192 11.921 ( 2.239 3.413 -13.225) 13.841 12.982 ( -0.710 0.654 8.071) 8.128 14.340 ( -3.893 -22.202 0.575) 22.548 14.423 ( -12.086 -15.025 -1.950) 19.381 16.203 ( -11.869 22.542 1.790) 25.538 16.363 ( 15.688 5.341 -3.169) 16.872 16.929 ( 4.982 -6.223 7.450) 10.911 ======================= Grid point 230 (101/203) ======================= q-point: ( 0.12 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 9.836 0.823 6.008) 11.556 0.854 ( -0.277 5.273 14.436) 15.371 1.480 ( 0.999 -1.041 -5.766) 5.944 1.525 ( -3.557 13.957 18.268) 23.263 1.997 ( 2.675 -0.381 -8.747) 9.155 2.202 ( 0.081 0.725 0.110) 0.738 2.529 ( 2.499 1.976 -1.912) 3.715 2.654 ( 1.058 -2.436 -0.478) 2.698 2.867 ( -2.351 8.599 2.862) 9.363 3.107 ( -1.413 8.367 1.513) 8.619 3.124 ( -1.791 -0.732 8.776) 8.987 3.311 ( -1.090 8.142 -1.119) 8.291 3.741 ( -3.670 8.509 1.021) 9.323 4.260 ( -0.237 1.089 -5.133) 5.253 4.274 ( 3.644 -2.070 -2.438) 4.849 4.673 ( -0.862 0.624 -1.880) 2.160 6.445 ( 4.224 1.133 2.032) 4.822 6.551 ( 8.760 -2.291 -4.259) 10.007 7.564 ( -1.040 -16.122 -2.278) 16.315 7.894 ( -3.963 -19.041 1.590) 19.514 9.879 ( 0.657 -1.583 8.955) 9.118 10.570 ( -2.146 40.555 -12.771) 42.572 10.743 ( 1.659 -4.683 -3.655) 6.168 11.929 ( 2.960 3.375 -13.337) 14.072 13.000 ( -0.274 1.840 7.764) 7.983 14.011 ( -19.889 -23.127 13.827) 33.491 14.393 ( 0.578 -3.909 1.243) 4.142 15.928 ( -14.371 9.271 6.254) 18.210 16.517 ( 3.233 10.954 -8.650) 14.327 17.003 ( 0.304 -3.778 3.161) 4.935 ======================= Grid point 231 (102/203) ======================= q-point: ( 0.25 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 5.053 -1.851 5.906) 7.991 0.947 ( 7.060 7.611 4.053) 11.144 1.488 ( -2.613 6.988 14.997) 16.750 1.533 ( 2.170 3.438 -1.643) 4.385 2.001 ( 0.491 2.620 -6.754) 7.261 2.237 ( 3.335 -2.482 -1.574) 4.445 2.520 ( -2.465 2.045 -2.240) 3.909 2.653 ( -1.190 0.336 -1.111) 1.662 2.820 ( -2.643 9.691 4.810) 11.137 3.086 ( -1.124 6.809 2.901) 7.486 3.121 ( -1.688 -1.460 6.829) 7.184 3.279 ( -1.629 5.796 -0.367) 6.032 3.653 ( -3.659 11.779 -3.143) 12.728 4.162 ( -4.022 3.312 -3.262) 6.147 4.364 ( 2.507 -2.679 -0.061) 3.670 4.665 ( 1.063 1.171 -2.373) 2.852 6.534 ( 3.066 0.877 3.486) 4.725 6.774 ( 12.875 -7.958 -8.777) 17.497 7.533 ( -0.735 -13.423 -2.888) 13.750 7.818 ( -3.511 -16.450 0.508) 16.828 9.912 ( -0.981 -1.029 10.509) 10.605 10.467 ( -3.832 44.537 -2.662) 44.781 10.821 ( 5.981 -15.418 -6.290) 17.693 11.946 ( 3.317 4.105 -13.905) 14.873 13.021 ( -0.400 3.191 6.982) 7.687 13.733 ( -12.670 -16.820 23.903) 31.856 14.400 ( -0.470 -4.346 1.412) 4.594 15.687 ( -10.897 -3.578 5.054) 12.534 16.482 ( -2.371 12.046 -11.300) 16.686 16.999 ( -0.757 3.303 0.812) 3.485 ======================= Grid point 232 (103/203) ======================= q-point: ( 0.38 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 0.299 0.684 8.704) 8.736 1.100 ( 6.065 2.242 -3.816) 7.509 1.466 ( -4.255 9.897 14.673) 18.203 1.607 ( 5.020 -0.894 -2.775) 5.805 1.981 ( -0.111 4.651 -5.106) 6.908 2.308 ( 3.681 -1.955 -2.996) 5.133 2.437 ( -4.180 2.844 -1.573) 5.295 2.595 ( -3.865 1.682 -1.808) 4.587 2.804 ( -0.823 10.442 5.179) 11.685 3.063 ( -3.099 -0.692 3.789) 4.944 3.101 ( -0.954 3.267 1.412) 3.685 3.256 ( -0.911 3.308 3.542) 4.931 3.580 ( -2.209 13.653 -4.432) 14.523 4.073 ( -3.906 3.697 -0.904) 5.454 4.404 ( 1.844 -1.204 0.357) 2.231 4.699 ( 3.071 1.139 -3.908) 5.099 6.588 ( 0.714 0.592 4.278) 4.377 6.967 ( 8.468 -11.881 -8.424) 16.847 7.527 ( 1.566 -12.095 -4.419) 12.972 7.761 ( -1.596 -13.635 -1.454) 13.805 9.911 ( -2.878 -0.841 12.072) 12.438 10.399 ( -2.489 38.369 0.645) 38.456 10.919 ( 5.044 -13.843 -4.585) 15.430 11.965 ( 3.281 5.396 -14.395) 15.720 13.028 ( -1.232 3.679 6.357) 7.448 13.667 ( -2.791 -16.188 28.022) 32.482 14.386 ( -1.141 -3.494 0.974) 3.803 15.507 ( -7.952 -12.068 2.086) 14.602 16.374 ( -2.923 12.277 -14.405) 19.151 16.987 ( -0.644 8.578 0.332) 8.609 ======================= Grid point 233 (104/203) ======================= q-point: (-0.50 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -2.184 -0.080 9.620) 9.865 1.159 ( 1.100 -0.025 -3.972) 4.122 1.431 ( -2.880 9.730 9.935) 14.201 1.698 ( 4.165 -1.634 -1.390) 4.685 1.967 ( 0.639 6.393 -4.694) 7.957 2.333 ( -1.585 -0.928 -2.154) 2.831 2.350 ( -3.891 2.094 -0.723) 4.477 2.500 ( -3.567 5.043 -2.484) 6.657 2.814 ( -0.164 10.741 4.937) 11.823 2.998 ( -3.114 -3.457 1.123) 4.786 3.097 ( -0.129 4.298 0.988) 4.412 3.261 ( -0.585 2.152 6.546) 6.916 3.518 ( -2.910 13.013 -2.887) 13.644 4.014 ( -0.856 4.843 -0.878) 4.996 4.447 ( 1.983 -0.629 0.102) 2.083 4.752 ( 3.275 0.831 -4.978) 6.016 6.589 ( -2.149 -0.006 4.842) 5.298 7.069 ( 4.379 -12.443 -8.424) 15.651 7.555 ( 2.309 -14.325 -4.543) 15.205 7.749 ( 1.268 -10.865 -3.254) 11.413 9.883 ( -4.017 -1.189 13.192) 13.841 10.365 ( -1.119 32.056 1.065) 32.094 10.988 ( 3.014 -8.713 -3.450) 9.844 11.977 ( 2.767 6.766 -14.804) 16.510 13.017 ( -1.955 2.645 6.553) 7.332 13.805 ( 6.067 -16.959 29.376) 34.458 14.372 ( -0.130 -2.605 0.933) 2.770 15.367 ( -6.066 -15.931 -0.479) 17.053 16.285 ( -0.246 13.341 -15.243) 20.258 16.970 ( -1.289 10.837 0.427) 10.922 ======================= Grid point 234 (105/203) ======================= q-point: (-0.38 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -4.898 -1.503 12.732) 13.724 1.116 ( -4.592 -1.223 -0.904) 4.837 1.432 ( 0.681 8.150 4.403) 9.289 1.762 ( 2.309 -2.946 -1.736) 4.125 1.983 ( 2.234 7.977 -2.496) 8.652 2.228 ( -7.385 3.477 3.204) 8.768 2.272 ( -2.597 0.676 -1.166) 2.926 2.443 ( -1.712 7.881 -3.599) 8.832 2.825 ( -0.573 9.533 4.905) 10.737 2.962 ( -0.701 -2.463 1.563) 3.000 3.103 ( 0.509 4.199 1.281) 4.419 3.271 ( -0.830 1.924 7.496) 7.783 3.446 ( -2.846 11.998 -0.727) 12.352 4.035 ( 3.224 4.849 -3.504) 6.796 4.475 ( 0.586 -0.491 -0.946) 1.217 4.789 ( 1.771 0.650 -4.492) 4.872 6.541 ( -3.819 -0.527 4.249) 5.738 7.079 ( -0.752 -10.493 -9.458) 14.146 7.586 ( 1.953 -15.983 -3.499) 16.478 7.788 ( 3.603 -12.345 -3.446) 13.314 9.845 ( -4.109 -1.710 13.296) 14.021 10.364 ( 0.817 25.414 0.384) 25.430 11.023 ( 1.949 -0.451 -5.223) 5.593 11.974 ( 2.078 7.376 -15.181) 17.006 12.998 ( -2.116 1.207 7.044) 7.453 14.094 ( 10.828 -17.514 23.558) 31.289 14.418 ( 5.216 -4.847 5.825) 9.199 15.256 ( -4.291 -14.220 0.274) 14.855 16.262 ( 2.813 15.618 -13.164) 20.618 16.934 ( -2.389 10.682 0.513) 10.958 ======================= Grid point 235 (106/203) ======================= q-point: (-0.25 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -5.482 -1.732 15.130) 16.186 0.964 ( -10.379 -3.961 5.418) 12.360 1.474 ( 1.813 7.549 0.566) 7.785 1.763 ( -1.843 -3.782 -3.082) 5.215 1.990 ( -4.183 9.755 6.338) 12.362 2.154 ( 2.476 6.789 -1.315) 7.345 2.279 ( 4.455 -1.790 1.443) 5.013 2.392 ( -1.824 9.533 -2.943) 10.142 2.827 ( -0.810 7.755 5.421) 9.497 2.974 ( 0.933 0.529 3.262) 3.434 3.128 ( 1.095 4.552 2.667) 5.388 3.288 ( 0.462 2.898 6.207) 6.866 3.411 ( -0.408 11.042 1.372) 11.135 4.096 ( 3.567 3.814 -5.413) 7.521 4.457 ( -1.628 -0.229 -2.766) 3.218 4.789 ( -0.488 0.674 -3.012) 3.125 6.472 ( -3.859 -0.451 2.787) 4.782 6.961 ( -7.545 -7.987 -9.044) 14.230 7.602 ( 0.733 -15.400 -3.493) 15.808 7.870 ( 4.833 -17.913 -1.804) 18.641 9.813 ( -3.132 -2.167 11.935) 12.528 10.403 ( 3.209 18.173 -1.721) 18.535 11.032 ( 1.263 11.145 -9.618) 14.775 11.957 ( 1.468 6.704 -15.155) 16.637 12.982 ( -1.889 0.269 7.512) 7.750 14.279 ( 3.138 -9.328 3.555) 10.464 14.681 ( 11.828 -29.896 3.976) 32.395 15.276 ( 8.574 1.830 19.243) 21.146 16.301 ( 4.293 19.515 -8.921) 21.882 16.877 ( -3.131 8.117 1.120) 8.772 ======================= Grid point 236 (107/203) ======================= q-point: (-0.12 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -11.960 -3.325 8.198) 14.876 0.825 ( -5.007 -2.459 19.396) 20.182 1.493 ( 0.121 7.603 -0.960) 7.664 1.665 ( -6.876 3.201 4.954) 9.059 1.944 ( -0.266 5.323 -0.348) 5.341 2.229 ( 3.069 5.177 -3.358) 6.892 2.351 ( 0.954 5.811 2.233) 6.298 2.476 ( 10.279 -4.328 -1.700) 11.282 2.841 ( 0.660 7.986 4.967) 9.428 3.027 ( 2.789 3.022 5.250) 6.669 3.155 ( 0.095 5.397 3.837) 6.622 3.324 ( 0.878 7.164 1.654) 7.404 3.471 ( 6.338 7.139 7.459) 12.115 4.123 ( 0.881 3.695 -6.509) 7.537 4.401 ( -2.153 0.249 -3.822) 4.394 4.753 ( -1.911 0.680 -2.174) 2.974 6.415 ( -2.085 -0.032 1.485) 2.560 6.721 ( -12.247 -4.203 -5.533) 14.080 7.597 ( 0.066 -15.973 -3.151) 16.281 7.947 ( 2.407 -21.937 -0.280) 22.070 9.806 ( -1.193 -2.294 9.780) 10.116 10.478 ( 5.136 10.824 -5.961) 13.382 10.987 ( -2.149 24.702 -13.869) 28.410 11.932 ( 1.409 4.843 -14.212) 15.080 12.975 ( -1.367 0.076 7.913) 8.030 14.327 ( 1.527 -7.921 0.361) 8.075 14.688 ( -6.856 -36.404 -11.239) 38.712 15.829 ( 30.181 5.214 20.981) 37.125 16.337 ( -0.329 24.292 -3.677) 24.571 16.839 ( -0.210 1.381 4.548) 4.758 ======================= Grid point 237 (108/203) ======================= q-point: ( 0.00 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 1.404 11.901 5.408) 13.147 0.992 ( 1.411 13.876 8.838) 16.512 1.530 ( -1.167 4.797 -9.455) 10.667 1.765 ( 2.116 6.554 -1.495) 7.047 2.071 ( -4.518 9.750 6.993) 12.821 2.299 ( -2.677 2.746 1.218) 4.024 2.433 ( 4.081 -1.914 -4.604) 6.443 2.660 ( 3.517 7.985 0.784) 8.760 3.048 ( -0.215 5.432 9.302) 10.774 3.092 ( -0.197 1.650 4.776) 5.057 3.277 ( -1.044 4.513 3.600) 5.867 3.585 ( 1.174 15.872 -2.389) 16.093 3.809 ( 6.671 5.823 8.885) 12.545 4.235 ( 0.947 8.340 -6.623) 10.692 4.385 ( -0.785 3.876 -4.754) 6.184 4.733 ( -1.910 2.439 -1.156) 3.306 6.422 ( 1.336 1.807 0.340) 2.273 6.507 ( -3.941 -0.155 -1.040) 4.079 7.158 ( -0.643 -25.185 1.028) 25.214 7.575 ( 0.083 -15.811 -5.381) 16.702 9.755 ( 1.094 -4.954 6.700) 8.404 10.267 ( 1.575 -20.827 -5.452) 21.586 11.618 ( 3.229 16.874 -16.934) 24.123 11.953 ( -1.946 8.892 -17.856) 20.042 12.935 ( -0.719 -6.064 9.610) 11.386 13.796 ( -5.531 -19.904 -7.523) 21.986 14.389 ( -1.653 2.244 0.018) 2.787 16.275 ( -1.888 -4.288 14.890) 15.610 16.646 ( 4.833 7.871 -3.100) 9.743 16.915 ( 0.366 8.904 3.434) 9.550 ======================= Grid point 238 (109/203) ======================= q-point: ( 0.12 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 7.298 11.669 2.175) 13.934 1.063 ( 3.263 14.612 5.136) 15.828 1.497 ( 0.922 3.754 -6.952) 7.954 1.796 ( -0.240 11.012 4.396) 11.860 2.028 ( -0.045 4.427 -0.656) 4.475 2.241 ( -2.808 2.817 0.865) 4.071 2.487 ( 2.454 -3.191 -3.842) 5.565 2.718 ( 1.293 5.997 1.616) 6.344 3.048 ( -2.870 4.656 9.221) 10.721 3.099 ( -0.954 2.041 4.612) 5.133 3.252 ( -2.137 5.097 3.634) 6.614 3.558 ( -2.419 16.149 -1.656) 16.413 3.927 ( 1.250 7.137 4.340) 8.446 4.255 ( 2.549 3.274 -5.302) 6.733 4.350 ( -0.803 7.280 -4.007) 8.349 4.703 ( -0.553 2.599 -0.993) 2.836 6.475 ( 3.823 1.226 0.363) 4.032 6.502 ( 3.154 -2.223 -1.587) 4.172 7.154 ( -0.115 -24.498 0.847) 24.513 7.551 ( -0.399 -14.233 -5.373) 15.219 9.805 ( 1.000 -4.836 7.742) 9.183 10.291 ( 2.891 -22.744 -6.833) 23.924 11.570 ( -1.561 32.131 -17.494) 36.618 11.891 ( 1.559 -2.884 -13.086) 13.490 12.960 ( -0.397 -6.804 10.492) 12.512 13.626 ( -8.643 -12.207 -1.724) 15.056 14.363 ( -1.187 1.542 1.688) 2.576 16.045 ( -19.550 2.810 14.737) 24.643 16.681 ( -1.001 2.145 -4.545) 5.124 17.029 ( 6.873 8.202 1.415) 10.794 ======================= Grid point 239 (110/203) ======================= q-point: ( 0.25 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 5.071 8.312 0.920) 9.780 1.155 ( 3.938 12.518 0.654) 13.140 1.523 ( 3.310 3.206 -2.972) 5.483 1.774 ( -3.378 13.417 7.404) 15.692 2.063 ( 3.483 2.932 -6.919) 8.282 2.212 ( 0.584 0.543 -0.093) 0.803 2.501 ( 0.104 -2.071 -3.444) 4.021 2.717 ( -2.183 4.597 2.863) 5.839 3.007 ( -3.385 5.402 7.350) 9.730 3.083 ( -2.339 0.837 6.067) 6.556 3.229 ( -1.196 5.081 2.751) 5.901 3.486 ( -4.080 15.093 0.602) 15.647 3.921 ( -1.340 12.197 -1.101) 12.319 4.245 ( -1.903 4.486 -2.922) 5.681 4.360 ( 2.555 5.151 -2.727) 6.364 4.704 ( 1.087 2.860 -1.249) 3.305 6.555 ( 2.687 0.634 2.638) 3.818 6.596 ( 6.281 -8.971 -4.591) 11.874 7.156 ( -0.002 -23.362 0.367) 23.365 7.533 ( 1.047 -11.139 -6.746) 13.065 9.838 ( -0.979 -4.874 9.946) 11.119 10.335 ( 3.655 -24.402 -8.323) 26.040 11.471 ( -2.425 38.007 -10.960) 39.630 11.915 ( 4.946 -5.375 -13.126) 15.021 12.991 ( -0.321 -8.030 10.821) 13.478 13.457 ( -7.628 -6.753 4.698) 11.219 14.349 ( -0.949 0.547 2.355) 2.598 15.697 ( -18.176 4.026 15.192) 24.029 16.599 ( -4.089 0.451 -7.935) 8.938 17.150 ( 4.556 10.224 -0.460) 11.202 ======================= Grid point 240 (111/203) ======================= q-point: ( 0.38 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 2.594 7.064 1.029) 7.595 1.203 ( 0.659 7.944 -1.202) 8.062 1.596 ( 3.508 3.259 0.096) 4.789 1.734 ( -2.136 12.679 4.382) 13.584 2.087 ( 1.457 5.409 -6.752) 8.773 2.270 ( 4.520 -1.491 -3.255) 5.766 2.467 ( -2.323 0.530 -1.663) 2.906 2.659 ( -3.908 4.270 3.162) 6.596 2.967 ( -3.022 1.444 4.617) 5.704 3.052 ( -2.027 4.095 5.016) 6.785 3.219 ( -0.904 4.118 3.467) 5.458 3.407 ( -4.033 13.597 4.026) 14.743 3.880 ( -1.779 14.200 -3.902) 14.833 4.193 ( -1.833 8.824 -1.315) 9.108 4.406 ( 2.601 2.809 -2.161) 4.396 4.736 ( 2.413 2.617 -2.195) 4.182 6.591 ( -0.423 -2.076 3.333) 3.949 6.707 ( 6.043 -11.785 -4.865) 14.109 7.153 ( -0.326 -22.852 -0.236) 22.855 7.549 ( 2.953 -8.384 -8.544) 12.329 9.834 ( -3.011 -5.093 11.601) 13.023 10.368 ( 2.164 -24.235 -8.703) 25.841 11.407 ( -0.980 35.136 -5.152) 35.526 11.993 ( 7.062 -0.581 -14.771) 16.382 13.019 ( -0.636 -8.150 9.033) 12.183 13.366 ( -3.236 -7.802 10.605) 13.558 14.339 ( -0.750 0.479 2.504) 2.657 15.423 ( -13.235 2.813 13.906) 19.403 16.484 ( -3.121 0.780 -11.620) 12.057 17.215 ( 2.071 11.847 -0.700) 12.047 ======================= Grid point 241 (112/203) ======================= q-point: (-0.50 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -0.415 7.545 1.930) 7.799 1.179 ( -2.415 4.288 -1.247) 5.077 1.640 ( -0.154 7.331 2.910) 7.889 1.730 ( 1.224 7.379 -1.169) 7.571 2.091 ( 1.524 5.527 -6.791) 8.888 2.312 ( -0.419 -0.711 -3.671) 3.763 2.423 ( -1.383 4.571 2.506) 5.393 2.602 ( -1.700 4.840 0.615) 5.167 2.909 ( -3.187 -1.895 2.468) 4.454 3.049 ( -0.139 7.114 4.302) 8.315 3.212 ( -1.230 4.151 4.695) 6.387 3.357 ( -2.642 10.762 6.699) 12.949 3.817 ( -3.009 15.335 -3.615) 16.040 4.173 ( 0.371 11.227 -1.672) 11.357 4.449 ( 2.282 1.704 -2.408) 3.730 4.781 ( 2.536 2.132 -2.737) 4.298 6.566 ( -2.797 -3.854 3.110) 5.687 6.810 ( 5.417 -11.020 -5.001) 13.259 7.141 ( -0.614 -23.750 -0.092) 23.758 7.581 ( 2.828 -7.735 -9.480) 12.558 9.802 ( -4.019 -5.150 12.381) 13.998 10.358 ( -0.184 -22.283 -8.033) 23.688 11.392 ( 0.870 28.094 -3.008) 28.267 12.083 ( 6.663 6.146 -16.945) 19.217 13.013 ( -2.620 -6.073 6.270) 9.114 13.425 ( 4.948 -14.743 14.064) 20.967 14.340 ( 0.205 1.152 2.514) 2.773 15.253 ( -7.887 3.038 14.268) 16.583 16.408 ( 0.239 1.478 -12.890) 12.977 17.231 ( -0.339 12.684 -0.634) 12.705 ======================= Grid point 242 (113/203) ======================= q-point: (-0.38 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -3.828 7.786 3.959) 9.537 1.096 ( -5.457 3.012 -0.505) 6.253 1.631 ( -0.511 9.844 0.349) 9.864 1.750 ( 0.797 2.601 -2.925) 3.994 2.109 ( 2.162 3.944 -4.111) 6.094 2.273 ( -0.480 2.908 -3.470) 4.553 2.392 ( -3.692 8.476 6.918) 11.547 2.593 ( 0.330 6.709 -2.576) 7.194 2.881 ( -0.186 -1.548 3.994) 4.288 3.063 ( -0.211 7.684 4.224) 8.771 3.203 ( -0.946 4.192 4.712) 6.377 3.347 ( -0.663 8.442 7.379) 11.232 3.746 ( -2.582 16.658 -1.659) 16.938 4.190 ( 1.862 10.573 -3.283) 11.226 4.476 ( 1.112 1.239 -3.416) 3.800 4.813 ( 1.330 1.869 -2.337) 3.274 6.510 ( -3.247 -3.190 2.157) 5.037 6.869 ( 1.314 -8.840 -5.944) 10.733 7.138 ( 0.357 -25.751 1.604) 25.804 7.592 ( 1.506 -9.061 -9.525) 13.232 9.761 ( -3.981 -5.082 12.071) 13.689 10.315 ( -1.058 -20.278 -6.916) 21.451 11.420 ( 3.076 20.472 -4.260) 21.135 12.135 ( 4.363 10.860 -19.084) 22.387 12.971 ( -3.212 -5.780 6.529) 9.293 13.637 ( 10.294 -21.177 8.408) 25.003 14.371 ( 1.995 1.495 1.952) 3.166 15.218 ( -0.374 6.775 19.971) 21.092 16.408 ( 3.745 2.043 -11.065) 11.859 17.198 ( -2.619 12.877 -0.711) 13.159 ======================= Grid point 243 (114/203) ======================= q-point: (-0.25 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -7.569 3.675 3.283) 9.032 0.972 ( -5.633 8.556 6.325) 12.039 1.632 ( 0.841 8.661 -4.476) 9.785 1.735 ( -0.538 1.656 -4.350) 4.686 2.149 ( 1.449 3.236 2.189) 4.167 2.284 ( 1.818 4.120 -2.791) 5.298 2.344 ( -1.744 10.449 5.118) 11.765 2.580 ( -0.408 8.739 -2.316) 9.050 2.925 ( 1.989 1.758 7.649) 8.097 3.066 ( -0.753 6.976 4.671) 8.429 3.218 ( 0.923 3.586 3.898) 5.377 3.386 ( 2.303 8.368 6.395) 10.780 3.706 ( -1.052 17.128 0.497) 17.167 4.219 ( 2.150 8.519 -4.580) 9.908 4.466 ( -0.739 1.617 -4.623) 4.954 4.814 ( -0.592 1.976 -1.492) 2.546 6.454 ( -2.631 -1.482 0.981) 3.175 6.808 ( -5.018 -6.411 -5.216) 9.669 7.162 ( 0.680 -26.196 2.390) 26.313 7.584 ( 1.180 -11.881 -8.668) 14.754 9.729 ( -2.833 -5.043 10.271) 11.788 10.277 ( -0.314 -19.360 -5.721) 20.190 11.486 ( 5.251 14.084 -7.709) 16.893 12.128 ( 1.754 13.162 -20.868) 24.735 12.936 ( -2.424 -6.021 7.625) 10.014 13.837 ( 6.772 -25.109 -2.883) 26.165 14.420 ( 1.856 0.159 -1.192) 2.212 15.434 ( 13.827 10.539 29.207) 33.990 16.477 ( 5.672 2.223 -7.009) 9.287 17.119 ( -4.779 12.718 -0.805) 13.610 ======================= Grid point 244 (115/203) ======================= q-point: (-0.12 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -8.543 5.372 4.659) 11.115 0.945 ( -0.651 12.488 10.600) 16.393 1.598 ( -1.744 6.045 -8.777) 10.799 1.732 ( 1.798 4.137 -4.104) 6.099 2.140 ( -4.195 9.481 8.647) 13.500 2.315 ( 1.098 -0.433 2.068) 2.381 2.369 ( 3.020 5.825 -4.800) 8.130 2.590 ( 2.446 9.568 -0.604) 9.894 2.997 ( 1.633 4.982 9.627) 10.962 3.076 ( 0.015 3.504 4.852) 5.985 3.259 ( 1.361 4.096 3.513) 5.565 3.493 ( 6.061 10.050 3.555) 12.263 3.706 ( 0.662 15.208 3.923) 15.719 4.239 ( 1.326 7.721 -5.595) 9.627 4.423 ( -1.351 2.571 -5.070) 5.843 4.781 ( -2.045 2.281 -1.105) 3.257 6.417 ( -0.924 0.320 0.247) 1.008 6.650 ( -8.035 -2.719 -2.697) 8.901 7.169 ( -0.614 -25.624 1.556) 25.679 7.583 ( 1.142 -14.911 -6.783) 16.421 9.723 ( -0.699 -5.015 7.867) 9.356 10.263 ( 0.678 -19.621 -5.067) 20.276 11.570 ( 5.818 11.072 -12.179) 17.458 12.060 ( -0.977 13.673 -21.345) 25.367 12.925 ( -1.463 -5.943 8.640) 10.588 13.884 ( 0.108 -24.444 -8.608) 25.916 14.422 ( -0.832 0.897 -2.165) 2.486 15.936 ( 21.756 4.004 24.963) 33.354 16.572 ( 4.608 2.876 -2.933) 6.173 16.998 ( -6.473 12.336 0.140) 13.931 ======================= Grid point 245 (116/203) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 3.549 19.830 4.314) 20.602 1.303 ( 3.315 16.032 2.126) 16.508 1.698 ( -1.973 11.697 -8.231) 14.438 1.904 ( 3.555 8.271 -7.649) 11.813 2.218 ( -2.147 3.506 4.115) 5.817 2.333 ( -2.033 2.190 0.621) 3.052 2.454 ( -0.703 2.776 0.010) 2.864 2.836 ( 1.182 8.946 2.918) 9.484 3.031 ( -1.641 -2.797 9.110) 9.670 3.186 ( 0.278 3.464 3.313) 4.802 3.338 ( -0.613 1.690 4.588) 4.928 3.847 ( 7.130 2.739 1.881) 7.866 3.977 ( -3.504 17.040 0.448) 17.403 4.428 ( 1.020 10.751 -1.836) 10.955 4.536 ( 1.414 10.750 -4.711) 11.822 4.807 ( -1.736 4.911 -0.792) 5.269 6.447 ( -1.221 -7.070 0.481) 7.190 6.473 ( -0.024 0.700 -1.735) 1.871 6.697 ( -1.704 -15.261 4.728) 16.067 7.289 ( 1.879 -13.828 -11.525) 18.099 9.628 ( 1.793 -9.105 2.163) 9.529 9.859 ( -0.768 -17.369 3.223) 17.683 11.408 ( 2.043 -20.157 -9.849) 22.527 12.375 ( -0.092 19.813 -18.470) 27.087 12.746 ( -0.339 -12.954 7.661) 15.054 13.507 ( -0.503 -11.143 -10.203) 15.117 14.521 ( -1.344 10.711 -0.052) 10.795 16.126 ( -1.370 -10.008 20.465) 22.822 16.739 ( 2.607 4.967 -3.068) 6.394 17.133 ( 0.046 8.942 0.852) 8.982 ======================= Grid point 246 (117/203) ======================= q-point: ( 0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 4.901 18.830 1.846) 19.545 1.377 ( 3.228 15.713 -0.059) 16.041 1.646 ( -0.171 10.998 -6.833) 12.949 1.968 ( 5.163 7.423 -7.098) 11.495 2.147 ( -5.275 6.380 4.978) 9.660 2.296 ( -1.741 2.219 -1.210) 3.069 2.456 ( 0.751 0.333 0.537) 0.981 2.849 ( -1.040 6.931 3.274) 7.736 3.019 ( -2.459 -3.219 8.777) 9.667 3.191 ( -1.261 2.741 3.564) 4.670 3.326 ( -1.745 2.520 3.630) 4.751 3.871 ( -5.594 5.633 6.422) 10.211 4.000 ( 5.736 10.318 -5.253) 12.921 4.438 ( 0.553 12.892 -1.893) 13.042 4.550 ( 1.151 11.987 -3.670) 12.589 4.780 ( -0.513 5.072 -0.683) 5.144 6.393 ( -1.840 -9.467 -0.935) 9.689 6.521 ( 2.762 1.639 -0.012) 3.212 6.703 ( 0.736 -16.044 4.021) 16.557 7.297 ( 2.763 -12.292 -11.242) 16.885 9.684 ( 2.460 -8.926 2.815) 9.678 9.854 ( -0.702 -18.285 2.742) 18.502 11.416 ( 2.421 -21.496 -10.855) 24.202 12.307 ( -0.273 22.594 -16.141) 27.768 12.766 ( -0.513 -12.367 8.130) 14.809 13.442 ( -2.346 -8.457 -8.711) 12.366 14.492 ( -1.553 11.251 1.516) 11.458 16.034 ( -13.073 -4.400 19.703) 24.052 16.708 ( -3.331 3.313 -4.588) 6.566 17.210 ( 5.615 7.344 0.309) 9.250 ======================= Grid point 247 (118/203) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 2.789 16.677 -0.270) 16.911 1.420 ( 0.938 13.413 -2.187) 13.622 1.654 ( 2.767 9.664 -4.120) 10.864 2.022 ( -1.687 11.525 1.687) 11.769 2.100 ( 3.342 1.095 -4.927) 6.053 2.263 ( -0.333 3.971 -2.846) 4.897 2.473 ( 0.249 -0.630 1.143) 1.329 2.816 ( -3.340 5.183 4.019) 7.360 2.990 ( -3.249 -3.071 8.073) 9.228 3.166 ( -2.046 3.293 4.517) 5.953 3.296 ( -2.073 2.253 1.533) 3.424 3.772 ( -6.147 7.650 8.146) 12.754 4.074 ( 3.479 9.029 -6.483) 11.647 4.440 ( 0.373 14.337 -1.765) 14.450 4.554 ( 0.480 12.175 -3.452) 12.664 4.782 ( 0.808 4.905 -0.390) 4.986 6.366 ( -0.645 -13.856 -0.794) 13.894 6.576 ( 2.803 -0.124 -0.712) 2.895 6.740 ( 0.987 -14.686 3.401) 15.107 7.326 ( 3.878 -10.767 -11.347) 16.116 9.731 ( 0.106 -6.554 6.453) 9.198 9.858 ( 0.737 -21.336 0.376) 21.352 11.433 ( 3.070 -21.220 -12.159) 24.649 12.267 ( 1.818 23.364 -13.382) 26.986 12.780 ( -1.042 -12.238 8.573) 14.979 13.357 ( -3.106 -5.970 -6.132) 9.104 14.471 ( -1.200 11.574 2.793) 11.966 15.789 ( -16.205 3.113 20.294) 26.156 16.603 ( -4.257 2.196 -8.070) 9.384 17.321 ( 4.725 5.886 -0.377) 7.557 ======================= Grid point 248 (119/203) ======================= q-point: ( 0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 1.534 14.270 -1.696) 14.452 1.401 ( -1.815 11.280 -1.955) 11.592 1.713 ( 3.707 8.275 -3.173) 9.607 1.972 ( -3.054 10.745 4.055) 11.884 2.168 ( 3.676 1.778 -9.673) 10.500 2.276 ( 2.805 3.172 -3.342) 5.394 2.473 ( -0.338 0.168 1.174) 1.233 2.750 ( -4.206 4.511 4.593) 7.690 2.940 ( -3.929 -1.975 6.311) 7.692 3.152 ( -0.923 3.970 5.106) 6.534 3.256 ( -1.931 0.772 1.293) 2.449 3.681 ( -5.626 8.998 9.681) 14.364 4.104 ( 1.836 11.303 -6.773) 13.305 4.442 ( 0.358 15.095 -1.377) 15.162 4.550 ( 0.445 10.789 -3.692) 11.412 4.806 ( 1.650 4.502 -0.528) 4.823 6.356 ( -0.158 -16.478 -0.211) 16.480 6.634 ( 3.215 -0.821 -1.368) 3.589 6.753 ( -0.734 -14.761 2.164) 14.937 7.370 ( 3.989 -10.424 -11.388) 15.945 9.731 ( -2.536 -5.208 9.170) 10.847 9.880 ( 1.048 -22.812 -0.701) 22.847 11.450 ( 2.550 -18.688 -12.623) 22.696 12.296 ( 5.437 20.915 -12.983) 25.210 12.784 ( -1.484 -13.195 8.602) 15.821 13.282 ( -2.201 -4.429 -2.951) 5.759 14.463 ( -0.535 11.890 3.346) 12.363 15.547 ( -13.505 7.195 20.291) 25.414 16.494 ( -2.599 2.178 -11.177) 11.680 17.394 ( 2.457 5.511 -0.561) 6.060 ======================= Grid point 249 (120/203) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -0.359 12.155 -2.519) 12.419 1.342 ( -3.179 11.034 -0.754) 11.507 1.774 ( 3.240 7.931 -3.524) 9.264 1.923 ( -2.842 9.811 1.269) 10.293 2.171 ( 0.146 1.952 -7.136) 7.400 2.325 ( 2.246 2.606 -3.750) 5.089 2.496 ( 2.431 2.184 1.045) 3.431 2.691 ( -2.348 3.910 3.684) 5.863 2.886 ( -3.050 -0.020 5.779) 6.535 3.158 ( -0.087 4.627 3.740) 5.950 3.233 ( -1.112 -0.646 3.403) 3.638 3.612 ( -4.430 10.141 10.186) 15.040 4.103 ( 0.144 14.244 -5.429) 15.245 4.445 ( 0.301 14.936 -1.706) 15.036 4.549 ( 0.816 8.470 -4.237) 9.506 4.841 ( 1.745 3.989 -0.620) 4.398 6.359 ( 0.486 -15.539 -0.085) 15.547 6.696 ( 2.412 -1.917 1.859) 3.599 6.729 ( -1.222 -15.525 -2.166) 15.723 7.398 ( 2.393 -11.099 -11.284) 16.007 9.701 ( -3.482 -5.036 9.718) 11.486 9.886 ( -0.296 -22.394 -0.247) 22.397 11.446 ( 1.223 -15.343 -11.526) 19.228 12.378 ( 6.692 17.030 -15.760) 24.149 12.776 ( -2.177 -14.761 7.780) 16.827 13.268 ( 1.987 -4.962 -0.396) 5.360 14.474 ( 0.539 12.013 3.055) 12.407 15.397 ( -7.660 8.904 21.348) 24.366 16.431 ( 0.757 2.714 -12.085) 12.409 17.416 ( -0.169 5.463 -0.534) 5.491 ======================= Grid point 250 (121/203) ======================= q-point: (-0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -4.359 10.865 -1.994) 11.876 1.274 ( -3.095 12.743 0.453) 13.121 1.816 ( 2.082 8.946 -4.062) 10.043 1.868 ( -1.958 8.492 -2.162) 8.979 2.151 ( 0.236 1.078 -3.530) 3.698 2.352 ( 2.216 4.254 -4.207) 6.380 2.526 ( -1.301 4.251 3.945) 5.944 2.705 ( 2.571 4.151 0.444) 4.903 2.873 ( 0.066 1.079 7.419) 7.497 3.174 ( 0.416 4.799 2.442) 5.401 3.232 ( -0.392 -0.440 4.678) 4.715 3.575 ( -2.448 10.437 9.782) 14.512 4.079 ( -0.708 16.596 -3.163) 16.910 4.439 ( -0.178 13.560 -2.415) 13.775 4.552 ( 0.936 6.789 -5.095) 8.540 4.868 ( 0.925 3.686 -0.435) 3.825 6.374 ( 0.941 -11.724 -0.496) 11.772 6.680 ( -2.789 -16.585 1.550) 16.889 6.752 ( 2.149 -3.453 -1.467) 4.323 7.385 ( 0.300 -12.137 -11.404) 16.657 9.659 ( -3.671 -5.665 8.773) 11.069 9.873 ( -0.783 -20.883 0.480) 20.903 11.424 ( 0.507 -13.997 -10.063) 17.246 12.440 ( 4.929 14.777 -18.249) 23.993 12.750 ( -2.593 -14.861 7.105) 16.676 13.359 ( 6.394 -8.895 -2.223) 11.178 14.505 ( 1.515 11.352 1.551) 11.557 15.403 ( 0.823 9.267 24.912) 26.593 16.443 ( 4.162 3.401 -10.427) 11.731 17.384 ( -2.669 5.457 -0.519) 6.097 ======================= Grid point 251 (122/203) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -6.460 12.221 1.215) 13.877 1.230 ( -1.279 14.916 1.709) 15.068 1.826 ( -1.230 9.062 -5.257) 10.549 1.840 ( 2.100 9.822 -5.287) 11.351 2.163 ( 1.710 -0.002 -1.299) 2.147 2.384 ( 1.745 4.468 -3.742) 6.084 2.496 ( -2.400 4.234 5.109) 7.056 2.749 ( 1.417 7.887 1.043) 8.081 2.942 ( 2.845 -0.118 8.794) 9.244 3.182 ( -0.691 5.318 2.844) 6.070 3.258 ( 1.533 0.583 4.104) 4.419 3.591 ( 1.292 9.627 7.961) 12.559 4.058 ( -0.626 17.556 -1.276) 17.613 4.424 ( -0.273 11.443 -2.548) 11.727 4.546 ( 0.407 6.882 -5.796) 9.007 4.872 ( -0.485 3.805 -0.263) 3.845 6.392 ( 1.104 -6.681 -0.811) 6.820 6.622 ( -2.938 -15.956 -1.119) 16.263 6.768 ( -1.059 -5.745 2.926) 6.533 7.340 ( -0.297 -13.346 -11.965) 17.927 9.618 ( -2.651 -6.984 6.326) 9.789 9.863 ( -0.508 -18.993 1.662) 19.073 11.403 ( 0.986 -15.206 -9.214) 17.807 12.455 ( 3.014 14.808 -19.273) 24.491 12.730 ( -1.739 -14.165 7.223) 15.995 13.474 ( 5.604 -12.519 -7.078) 15.434 14.536 ( 1.064 10.262 -0.462) 10.328 15.612 ( 9.819 5.506 27.700) 29.900 16.522 ( 6.305 4.317 -7.254) 10.536 17.306 ( -4.621 5.683 -0.434) 7.338 ======================= Grid point 252 (123/203) ======================= q-point: (-0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -2.531 16.867 4.584) 17.661 1.241 ( 1.545 15.832 2.642) 16.125 1.770 ( -2.010 10.852 -7.461) 13.322 1.868 ( 2.709 9.314 -7.212) 12.088 2.203 ( 1.786 -0.390 1.247) 2.213 2.378 ( -1.669 4.616 -0.423) 4.927 2.473 ( -1.302 3.522 2.221) 4.363 2.790 ( 2.001 9.637 2.458) 10.145 3.012 ( 0.483 -1.760 9.526) 9.699 3.175 ( -0.559 5.162 2.945) 5.969 3.311 ( 1.619 1.106 4.403) 4.820 3.690 ( 6.011 7.781 4.678) 10.888 4.034 ( -1.806 17.133 -0.030) 17.228 4.417 ( 0.531 9.903 -2.169) 10.152 4.534 ( 0.560 8.683 -5.678) 10.390 4.847 ( -1.685 4.333 -0.439) 4.670 6.417 ( 1.598 -2.417 -0.478) 2.937 6.548 ( -3.719 -11.236 -1.960) 11.997 6.734 ( -3.180 -10.287 5.154) 11.937 7.302 ( 0.857 -14.217 -12.080) 18.676 9.602 ( -0.409 -8.229 3.684) 9.025 9.861 ( -0.478 -17.762 2.713) 17.975 11.401 ( 1.815 -17.750 -9.234) 20.090 12.431 ( 1.316 16.749 -19.404) 25.667 12.730 ( -0.788 -13.564 7.389) 15.466 13.526 ( 2.317 -12.940 -9.959) 16.492 14.541 ( -0.320 10.119 -1.007) 10.174 15.938 ( 10.458 -4.159 25.009) 27.425 16.641 ( 6.790 5.592 -4.276) 9.781 17.200 ( -5.201 6.953 0.091) 8.684 ======================= Grid point 253 (124/203) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 3.208 19.510 6.526) 20.822 1.610 ( 3.601 14.446 -1.900) 15.008 1.955 ( -0.954 12.062 -7.444) 14.206 2.073 ( 1.653 7.924 -5.624) 9.857 2.269 ( 2.029 3.712 -0.941) 4.334 2.388 ( -3.259 2.730 -0.400) 4.270 2.497 ( -1.705 1.283 5.409) 5.815 2.955 ( -1.951 -4.131 8.907) 10.010 2.987 ( 0.738 4.681 2.733) 5.470 3.230 ( -1.997 1.242 1.897) 3.022 3.355 ( 0.397 0.883 2.424) 2.610 3.810 ( 0.388 -4.432 1.943) 4.855 4.345 ( -0.360 17.602 -1.718) 17.690 4.648 ( 1.858 10.129 0.225) 10.300 4.758 ( 1.975 10.589 -3.081) 11.204 4.922 ( -1.191 6.335 -0.369) 6.457 6.179 ( -1.526 -11.722 5.151) 12.895 6.508 ( 1.437 0.250 -2.787) 3.146 6.592 ( -3.087 -0.429 1.235) 3.352 7.009 ( 2.951 -13.932 -11.090) 18.050 9.378 ( 0.401 -12.235 3.962) 12.866 9.642 ( -0.920 -6.992 7.402) 10.224 11.061 ( 1.203 -12.260 -11.102) 16.583 12.319 ( 0.915 -24.473 -1.946) 24.568 12.737 ( 1.109 12.081 -8.306) 14.702 13.328 ( 0.515 -7.039 -9.221) 11.612 14.780 ( -0.696 14.430 1.243) 14.500 15.898 ( -0.689 -12.444 16.984) 21.067 16.860 ( 1.167 6.814 -0.296) 6.920 17.239 ( 0.493 1.868 0.654) 2.040 ======================= Grid point 254 (125/203) ======================= q-point: ( 0.12 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 2.769 18.210 4.317) 18.918 1.669 ( 2.436 13.298 -3.022) 13.853 1.905 ( -0.969 13.798 -7.058) 15.528 2.096 ( 2.428 5.037 -5.672) 7.964 2.283 ( -1.723 7.247 0.676) 7.480 2.332 ( -0.538 1.903 -1.246) 2.337 2.483 ( -1.315 1.746 4.920) 5.384 2.939 ( -2.376 -4.868 6.683) 8.603 2.977 ( -2.709 5.327 5.049) 7.824 3.205 ( -1.337 -0.794 1.996) 2.531 3.358 ( -0.809 1.106 2.166) 2.563 3.790 ( -2.739 -7.028 2.945) 8.098 4.353 ( 1.736 18.240 -2.903) 18.551 4.689 ( 1.833 10.968 0.298) 11.124 4.783 ( 1.303 10.509 -3.069) 11.025 4.903 ( -0.495 7.066 -0.242) 7.088 6.150 ( -2.839 -10.308 4.687) 11.673 6.500 ( -0.212 -3.978 -3.841) 5.534 6.588 ( 1.282 0.807 2.185) 2.659 7.041 ( 3.741 -13.236 -10.624) 17.380 9.414 ( 1.574 -12.934 4.079) 13.653 9.648 ( -1.123 -6.437 7.670) 10.076 11.053 ( 2.085 -12.537 -11.692) 17.270 12.328 ( 0.689 -23.005 -2.804) 23.185 12.726 ( 0.477 11.839 -6.686) 13.605 13.290 ( -1.017 -6.413 -8.587) 10.766 14.767 ( -1.011 15.234 1.793) 15.373 15.878 ( -6.595 -10.491 16.105) 20.321 16.828 ( -3.421 7.979 -1.646) 8.836 17.292 ( 3.809 1.005 0.384) 3.958 ======================= Grid point 255 (126/203) ======================= q-point: ( 0.25 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 0.703 16.595 1.644) 16.691 1.675 ( -0.549 11.888 -4.282) 12.647 1.880 ( 0.981 12.098 -6.511) 13.774 2.123 ( 1.685 1.546 -4.012) 4.618 2.237 ( -1.983 9.850 1.230) 10.123 2.342 ( 1.525 3.135 -3.358) 4.841 2.479 ( -0.672 1.597 4.412) 4.740 2.892 ( -3.721 -1.307 1.830) 4.348 2.939 ( -3.157 1.389 10.399) 10.956 3.184 ( -1.282 -1.029 2.424) 2.929 3.336 ( -1.897 1.882 0.813) 2.794 3.741 ( -2.978 -6.390 5.037) 8.664 4.383 ( 2.153 17.740 -4.013) 18.315 4.720 ( 0.971 12.278 0.352) 12.321 4.787 ( 0.281 10.155 -3.623) 10.785 4.902 ( 0.363 7.139 0.370) 7.158 6.105 ( -2.730 -9.493 4.047) 10.675 6.497 ( 1.586 -6.269 -6.025) 8.838 6.622 ( 0.719 -0.659 3.605) 3.735 7.084 ( 3.879 -13.400 -10.311) 17.347 9.463 ( 1.506 -13.301 4.765) 14.209 9.649 ( -1.585 -5.639 8.217) 10.091 11.067 ( 3.416 -12.707 -12.638) 18.245 12.329 ( 0.456 -21.235 -2.962) 21.446 12.713 ( 0.366 10.318 -5.859) 11.871 13.232 ( -1.593 -5.730 -7.363) 9.465 14.754 ( -0.875 15.417 2.127) 15.587 15.760 ( -9.754 -6.047 15.948) 19.648 16.731 ( -4.478 10.138 -4.434) 11.937 17.374 ( 3.671 -0.431 -0.044) 3.696 ======================= Grid point 256 (127/203) ======================= q-point: ( 0.38 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -0.681 15.107 -0.892) 15.149 1.628 ( -2.221 10.943 -3.756) 11.781 1.896 ( 2.696 9.228 -6.975) 11.878 2.144 ( 0.239 4.179 4.381) 6.060 2.200 ( -1.015 4.817 -7.402) 8.889 2.366 ( 1.932 4.049 -2.671) 5.221 2.485 ( 0.146 1.763 2.573) 3.122 2.814 ( -4.135 0.754 1.951) 4.634 2.916 ( -2.740 0.517 10.654) 11.013 3.177 ( -0.297 -1.371 3.167) 3.464 3.294 ( -1.973 3.190 -0.051) 3.752 3.708 ( -2.206 -3.951 6.635) 8.031 4.408 ( 1.647 17.152 -4.461) 17.799 4.731 ( -0.017 12.839 0.498) 12.849 4.772 ( -0.305 10.031 -4.026) 10.813 4.917 ( 0.890 6.548 0.629) 6.639 6.075 ( -1.270 -9.437 3.601) 10.180 6.511 ( 1.604 -8.190 -7.065) 10.935 6.644 ( 0.387 -0.967 3.475) 3.628 7.122 ( 3.069 -14.240 -9.982) 17.659 9.501 ( 0.197 -13.219 5.540) 14.334 9.640 ( -2.138 -4.944 8.790) 10.309 11.100 ( 3.949 -12.758 -13.380) 18.905 12.330 ( 0.557 -21.265 -2.413) 21.409 12.702 ( 0.779 9.004 -6.530) 11.150 13.182 ( -0.754 -4.951 -5.888) 7.730 14.748 ( -0.444 14.968 2.005) 15.108 15.612 ( -9.485 -1.851 16.092) 18.771 16.631 ( -2.854 11.688 -6.913) 13.876 17.433 ( 1.984 -1.380 -0.237) 2.428 ======================= Grid point 257 (128/203) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -1.910 13.661 -2.289) 13.982 1.571 ( -2.026 11.013 -2.366) 11.445 1.935 ( 3.394 7.120 -7.927) 11.182 2.103 ( -4.049 6.969 -1.851) 8.269 2.189 ( 0.793 1.814 0.011) 1.980 2.401 ( 2.005 4.049 -2.769) 5.300 2.519 ( 3.160 0.896 0.255) 3.295 2.746 ( -2.882 1.391 2.482) 4.050 2.905 ( -1.913 1.682 10.635) 10.936 3.187 ( -0.104 -2.451 3.576) 4.337 3.270 ( -0.026 5.310 -0.272) 5.317 3.693 ( -1.714 -1.025 7.472) 7.735 4.417 ( 0.680 16.551 -4.170) 17.082 4.724 ( -0.811 12.351 0.199) 12.379 4.748 ( -0.543 9.968 -4.019) 10.762 4.940 ( 0.991 5.765 0.624) 5.883 6.080 ( 0.436 -9.759 3.459) 10.363 6.505 ( -0.006 -8.254 -5.402) 9.865 6.671 ( 1.561 -1.248 0.771) 2.142 7.134 ( 1.296 -15.050 -9.601) 17.898 9.503 ( -2.108 -12.677 6.204) 14.270 9.627 ( -1.943 -4.737 8.757) 10.144 11.126 ( 2.992 -12.471 -13.318) 18.490 12.330 ( 0.061 -22.940 -1.683) 23.002 12.701 ( 1.665 8.587 -8.354) 12.096 13.171 ( 1.762 -4.739 -4.989) 7.103 14.751 ( 0.122 14.084 1.523) 14.166 15.506 ( -5.989 0.408 16.996) 18.025 16.578 ( 0.360 12.277 -7.592) 14.439 17.450 ( -0.343 -1.826 -0.210) 1.870 ======================= Grid point 258 (129/203) ======================= q-point: (-0.38 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -4.029 13.567 -1.212) 14.204 1.533 ( -0.920 12.238 -1.694) 12.389 1.974 ( 3.059 6.121 -8.564) 10.962 2.032 ( -1.125 5.552 -3.784) 6.812 2.197 ( -0.305 5.155 2.250) 5.633 2.423 ( 1.252 2.954 -2.405) 4.009 2.579 ( 0.498 1.650 0.867) 1.929 2.747 ( 3.231 0.433 2.036) 3.844 2.912 ( -1.105 2.186 10.723) 10.999 3.200 ( 0.367 -2.575 3.790) 4.597 3.287 ( 1.558 6.650 -0.838) 6.881 3.691 ( -1.053 1.327 7.489) 7.678 4.409 ( -0.122 16.105 -3.249) 16.430 4.695 ( -1.843 11.330 -0.987) 11.522 4.729 ( 0.001 9.833 -3.303) 10.373 4.959 ( 0.526 5.162 0.565) 5.219 6.112 ( 1.303 -10.496 3.721) 11.212 6.481 ( -0.401 -6.096 -4.057) 7.333 6.706 ( 1.612 -1.767 -0.893) 2.553 7.105 ( -0.725 -15.459 -9.511) 18.165 9.462 ( -3.738 -11.682 6.355) 13.814 9.624 ( -1.316 -5.473 8.161) 9.914 11.126 ( 1.431 -11.945 -12.509) 17.355 12.320 ( -0.518 -24.043 -1.039) 24.071 12.711 ( 2.381 8.758 -9.931) 13.454 13.217 ( 4.210 -5.897 -5.794) 9.277 14.763 ( 0.551 13.151 0.961) 13.198 15.502 ( -0.288 -0.301 18.697) 18.702 16.595 ( 3.628 11.888 -6.161) 13.873 17.419 ( -2.572 -1.765 -0.102) 3.121 ======================= Grid point 259 (130/203) ======================= q-point: (-0.25 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -3.417 15.778 2.543) 16.343 1.524 ( 0.649 13.822 -1.517) 13.920 1.994 ( 1.914 6.209 -9.241) 11.296 2.032 ( 1.874 7.205 -3.538) 8.243 2.202 ( 0.404 5.711 1.624) 5.952 2.441 ( 1.095 1.437 -2.120) 2.785 2.554 ( -2.718 2.393 3.749) 5.212 2.851 ( 4.851 1.016 0.688) 5.004 2.933 ( -0.642 0.490 10.829) 10.860 3.234 ( 1.347 -2.054 4.494) 5.121 3.314 ( 1.155 7.073 -1.640) 7.352 3.709 ( 0.755 2.129 6.189) 6.588 4.394 ( -0.371 15.764 -2.333) 15.940 4.649 ( -1.948 10.420 -0.788) 10.630 4.723 ( 0.623 9.880 -3.491) 10.497 4.963 ( -0.335 5.014 0.382) 5.039 6.151 ( 0.939 -11.560 4.386) 12.400 6.468 ( 0.613 -2.767 -3.805) 4.745 6.718 ( -0.646 -1.397 0.008) 1.539 7.046 ( -1.143 -15.631 -10.421) 18.821 9.407 ( -3.313 -11.259 5.595) 13.001 9.628 ( -1.030 -6.351 7.704) 10.038 11.103 ( 0.692 -11.636 -11.525) 16.392 12.308 ( -0.169 -24.515 -0.809) 24.529 12.726 ( 2.488 9.655 -10.348) 14.370 13.286 ( 4.301 -7.240 -7.676) 11.395 14.777 ( 0.493 12.833 0.684) 12.861 15.619 ( 4.533 -4.400 19.676) 20.665 16.677 ( 5.652 10.591 -3.517) 12.509 17.350 ( -3.894 -1.061 0.099) 4.037 ======================= Grid point 260 (131/203) ======================= q-point: (-0.12 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 0.473 18.614 6.245) 19.640 1.551 ( 2.466 14.746 -1.573) 15.034 1.988 ( 0.461 8.232 -8.260) 11.670 2.059 ( 1.813 9.014 -4.935) 10.435 2.228 ( 1.736 4.629 0.387) 4.959 2.439 ( -0.892 1.517 -2.168) 2.792 2.516 ( -2.309 1.390 5.891) 6.479 2.936 ( 3.120 3.574 1.500) 4.976 2.954 ( -1.064 -2.851 9.955) 10.409 3.261 ( -0.983 1.018 3.316) 3.606 3.329 ( 1.161 3.534 0.348) 3.736 3.764 ( 2.497 0.046 3.540) 4.332 4.371 ( -1.167 16.051 -1.721) 16.185 4.625 ( 0.018 10.014 -0.121) 10.015 4.732 ( 1.457 10.256 -3.445) 10.916 4.948 ( -1.085 5.462 0.011) 5.569 6.177 ( -0.138 -12.253 5.031) 13.247 6.481 ( 1.748 0.306 -3.420) 3.853 6.671 ( -3.980 -0.899 1.332) 4.292 7.005 ( 1.109 -15.106 -11.415) 18.967 9.374 ( -1.540 -11.548 4.574) 12.516 9.635 ( -0.906 -6.955 7.437) 10.222 11.079 ( 0.838 -11.837 -11.007) 16.185 12.309 ( 0.536 -24.812 -1.135) 24.844 12.737 ( 1.968 11.026 -9.713) 14.825 13.329 ( 2.574 -7.510 -8.990) 11.993 14.785 ( -0.047 13.408 0.816) 13.433 15.791 ( 4.475 -9.841 18.719) 21.617 16.788 ( 5.361 8.483 -1.122) 10.098 17.272 ( -3.318 0.478 0.449) 3.382 ======================= Grid point 261 (132/203) ======================= q-point: ( 0.00 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 2.449 14.198 6.365) 15.751 1.850 ( 2.868 8.307 -2.463) 9.127 2.083 ( 2.382 2.702 -2.508) 4.389 2.229 ( 0.223 3.665 -2.248) 4.306 2.376 ( 0.719 6.813 -4.426) 8.157 2.442 ( -0.684 2.763 -2.341) 3.686 2.526 ( -2.050 3.006 8.139) 8.915 2.840 ( -1.762 -7.265 5.671) 9.383 3.051 ( 0.877 2.598 2.559) 3.750 3.208 ( -1.625 -3.458 2.257) 4.438 3.426 ( -1.669 6.106 -0.353) 6.340 3.700 ( -2.356 -6.331 1.319) 6.883 4.643 ( 0.737 11.766 -1.434) 11.875 4.793 ( 2.044 4.022 -1.262) 4.684 4.946 ( 1.224 7.910 -0.194) 8.006 5.033 ( -0.264 3.842 0.048) 3.851 6.072 ( -0.503 1.075 3.615) 3.805 6.420 ( -0.263 -9.361 -5.985) 11.114 6.621 ( -0.838 2.550 0.537) 2.737 6.778 ( 1.499 -7.950 -3.452) 8.796 9.245 ( -0.733 -0.562 8.225) 8.276 9.498 ( -1.093 -8.114 8.636) 11.900 10.976 ( 1.480 4.540 -12.191) 13.093 11.761 ( 1.415 -29.122 -4.808) 29.550 12.943 ( 1.471 8.568 -7.957) 11.785 13.206 ( 0.865 -5.627 -8.326) 10.086 15.073 ( -0.221 14.667 4.003) 15.205 15.638 ( -0.220 -13.540 12.049) 18.126 17.000 ( 0.774 6.976 1.464) 7.170 17.223 ( 0.658 -3.110 1.159) 3.384 ======================= Grid point 262 (133/203) ======================= q-point: ( 0.12 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 0.865 12.612 4.604) 13.454 1.883 ( 0.991 7.106 -3.130) 7.827 2.114 ( 1.298 5.088 -3.597) 6.365 2.197 ( -1.600 5.098 -3.340) 6.302 2.372 ( 0.542 4.146 -4.410) 6.077 2.425 ( -0.563 5.040 -1.041) 5.177 2.528 ( -0.830 3.280 8.391) 9.047 2.818 ( -2.141 -7.383 5.573) 9.495 3.053 ( -1.965 2.712 3.946) 5.176 3.172 ( -1.986 -2.439 1.611) 3.535 3.397 ( -1.059 3.493 0.035) 3.650 3.642 ( -3.202 -7.472 1.445) 8.257 4.665 ( 1.762 12.490 -1.667) 12.723 4.838 ( 2.549 3.755 -1.178) 4.689 4.965 ( 0.575 7.571 -0.249) 7.597 5.031 ( 0.113 4.693 -0.106) 4.696 6.065 ( -1.484 1.828 3.652) 4.345 6.387 ( -0.477 -7.992 -5.824) 9.900 6.617 ( -0.073 1.741 0.763) 1.902 6.798 ( 1.703 -9.918 -4.054) 10.849 9.274 ( 0.605 -0.828 8.373) 8.436 9.511 ( -0.738 -7.776 8.773) 11.747 10.971 ( 2.354 5.007 -12.531) 13.698 11.777 ( 1.736 -29.314 -5.030) 29.793 12.932 ( 0.156 8.377 -7.576) 11.296 13.178 ( -0.675 -5.149 -7.904) 9.457 15.073 ( -1.125 15.102 3.705) 15.590 15.639 ( -3.493 -13.081 10.935) 17.404 16.997 ( -1.283 8.460 0.629) 8.579 17.261 ( 2.388 -3.806 0.815) 4.566 ======================= Grid point 263 (134/203) ======================= q-point: ( 0.25 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -0.898 10.686 2.333) 10.974 1.865 ( -1.420 6.046 -3.817) 7.290 2.098 ( -0.711 8.106 -7.319) 10.944 2.168 ( 0.008 3.032 -2.465) 3.908 2.372 ( 0.058 1.556 -2.777) 3.184 2.401 ( -1.277 5.193 -0.184) 5.351 2.546 ( -0.121 4.716 7.048) 8.482 2.795 ( -2.040 -6.392 5.667) 8.783 3.009 ( -3.373 3.656 5.524) 7.434 3.144 ( -1.449 -2.755 1.758) 3.575 3.378 ( -0.756 2.822 -0.441) 2.954 3.596 ( -1.503 -7.406 1.787) 7.766 4.696 ( 1.696 12.827 -1.837) 13.068 4.882 ( 1.960 3.759 -1.229) 4.414 4.966 ( -0.440 7.742 0.042) 7.754 5.035 ( 0.214 4.866 -0.021) 4.870 6.040 ( -1.895 2.921 3.329) 4.817 6.366 ( 0.539 -7.561 -6.277) 9.841 6.619 ( -0.022 0.314 1.051) 1.097 6.818 ( 1.729 -11.923 -4.777) 12.960 9.321 ( 0.815 -1.071 8.748) 8.851 9.526 ( -0.942 -6.913 9.123) 11.485 10.986 ( 3.325 5.174 -12.895) 14.287 11.794 ( 1.499 -28.975 -4.862) 29.418 12.901 ( -0.396 7.746 -7.716) 10.941 13.130 ( -1.184 -4.821 -7.278) 8.810 15.055 ( -1.634 14.538 3.029) 14.940 15.579 ( -5.548 -11.255 9.625) 15.814 16.958 ( -2.269 11.568 -0.906) 11.823 17.313 ( 2.269 -5.383 0.243) 5.847 ======================= Grid point 264 (135/203) ======================= q-point: ( 0.38 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -1.899 9.444 0.481) 9.645 1.809 ( -2.439 6.058 -3.792) 7.552 2.058 ( 0.008 6.744 -8.823) 11.105 2.175 ( 1.108 0.766 -3.322) 3.585 2.317 ( -3.250 4.512 -1.013) 5.652 2.407 ( 1.429 0.630 -1.057) 1.886 2.564 ( -0.441 5.530 5.679) 7.939 2.770 ( -2.284 -4.071 5.387) 7.128 2.969 ( -2.582 3.808 7.159) 8.510 3.126 ( -0.931 -3.377 2.308) 4.195 3.368 ( 0.179 4.181 -0.958) 4.293 3.594 ( 0.414 -6.628 2.280) 7.022 4.717 ( 0.859 12.849 -1.924) 13.021 4.905 ( 0.606 3.935 -1.699) 4.329 4.952 ( -0.979 8.110 0.765) 8.205 5.039 ( 0.149 4.376 0.292) 4.389 6.018 ( -1.164 3.488 2.876) 4.668 6.359 ( 0.832 -7.877 -6.490) 10.240 6.626 ( 0.532 -0.478 0.588) 0.926 6.834 ( 1.384 -13.185 -5.127) 14.214 9.360 ( -0.303 -1.251 9.127) 9.217 9.533 ( -1.529 -5.939 9.468) 11.281 11.013 ( 3.595 4.813 -13.106) 14.417 11.803 ( 0.902 -28.415 -4.426) 28.772 12.869 ( 0.141 7.004 -8.301) 10.862 13.087 ( -0.324 -4.690 -6.714) 8.196 15.031 ( -1.567 13.293 2.256) 13.574 15.492 ( -5.667 -9.113 8.706) 13.819 16.907 ( -1.938 14.389 -2.180) 14.682 17.349 ( 1.066 -6.832 -0.113) 6.915 ======================= Grid point 265 (136/203) ======================= q-point: (-0.50 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -2.368 9.343 -0.742) 9.667 1.752 ( -1.579 6.307 -2.840) 7.095 2.041 ( 1.141 3.685 -8.689) 9.506 2.136 ( -3.035 -1.010 -6.037) 6.832 2.301 ( 1.372 6.374 2.008) 6.822 2.446 ( 2.891 -0.211 -2.654) 3.930 2.573 ( -0.025 4.849 4.604) 6.686 2.740 ( -2.280 -2.005 5.136) 5.967 2.954 ( -1.503 3.369 8.189) 8.981 3.121 ( -0.462 -3.981 3.008) 5.011 3.385 ( 1.886 5.983 -1.363) 6.419 3.621 ( 1.231 -5.287 2.616) 6.025 4.716 ( -0.300 12.490 -1.871) 12.633 4.894 ( -0.984 4.200 -1.899) 4.713 4.934 ( -0.994 8.385 1.077) 8.512 5.044 ( 0.167 3.580 0.629) 3.639 6.015 ( -0.162 3.098 2.708) 4.118 6.354 ( 0.980 -7.912 -6.361) 10.199 6.646 ( 1.337 -0.908 -0.491) 1.689 6.836 ( 0.434 -13.218 -4.912) 14.107 9.366 ( -2.277 -1.199 9.345) 9.693 9.530 ( -1.997 -5.423 9.543) 11.157 11.035 ( 2.821 4.226 -12.991) 13.950 11.799 ( 0.170 -28.001 -4.037) 28.291 12.854 ( 1.445 6.619 -9.014) 11.276 13.077 ( 1.618 -4.891 -6.552) 8.335 15.011 ( -0.919 12.062 1.907) 12.247 15.422 ( -3.750 -7.640 8.910) 12.322 16.872 ( -0.518 15.518 -2.481) 15.723 17.354 ( -0.591 -7.577 -0.117) 7.601 ======================= Grid point 266 (137/203) ======================= q-point: (-0.38 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -2.602 10.805 -0.097) 11.114 1.731 ( 0.354 6.770 -2.267) 7.148 2.036 ( 1.036 0.604 -8.782) 8.863 2.075 ( -0.251 -0.210 -2.284) 2.308 2.341 ( 1.646 7.363 0.325) 7.551 2.477 ( 0.674 1.806 -2.217) 2.938 2.610 ( 1.278 2.103 2.921) 3.820 2.732 ( 0.531 -2.009 5.450) 5.833 2.961 ( -0.682 3.129 7.823) 8.453 3.132 ( 0.506 -4.180 3.489) 5.469 3.428 ( 2.580 7.069 -1.992) 7.784 3.658 ( 1.367 -3.811 2.568) 4.794 4.694 ( -1.066 11.823 -1.682) 11.990 4.854 ( -2.149 4.305 -1.467) 5.030 4.920 ( -0.609 8.636 0.665) 8.683 5.048 ( -0.019 2.885 0.735) 2.977 6.028 ( 0.361 2.107 2.909) 3.610 6.360 ( 1.836 -7.493 -6.346) 9.990 6.674 ( 1.587 -1.266 -1.174) 2.345 6.814 ( -1.016 -11.960 -4.300) 12.750 9.335 ( -3.784 -0.808 9.255) 10.031 9.519 ( -2.224 -5.795 9.337) 11.212 11.035 ( 1.620 3.901 -12.575) 13.266 11.783 ( -0.262 -27.846 -3.896) 28.118 12.865 ( 2.746 6.858 -9.418) 11.970 13.106 ( 3.428 -5.493 -7.029) 9.557 15.009 ( 0.043 11.581 2.300) 11.807 15.411 ( -0.477 -7.696 10.287) 12.857 16.871 ( 1.190 14.407 -1.689) 14.554 17.326 ( -2.068 -7.300 0.135) 7.589 ======================= Grid point 267 (138/203) ======================= q-point: (-0.25 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -0.938 13.309 2.737) 13.620 1.748 ( 2.021 7.651 -2.172) 8.206 2.029 ( 1.345 -0.276 -6.739) 6.878 2.112 ( 3.477 -0.562 0.226) 3.529 2.366 ( 0.917 8.552 -1.014) 8.661 2.474 ( 0.043 2.087 -2.383) 3.168 2.604 ( -2.525 2.918 4.234) 5.729 2.797 ( 2.690 -4.854 4.641) 7.234 2.980 ( 0.314 3.600 5.681) 6.733 3.167 ( 1.564 -4.399 3.506) 5.839 3.465 ( 1.378 7.553 -2.258) 8.003 3.694 ( 1.255 -3.095 2.181) 3.988 4.666 ( -0.962 11.025 -1.531) 11.173 4.803 ( -2.099 4.436 -1.122) 5.034 4.915 ( 0.014 8.682 0.225) 8.685 5.047 ( -0.334 2.605 0.625) 2.699 6.046 ( 0.363 1.273 3.213) 3.475 6.387 ( 2.858 -7.384 -6.438) 10.205 6.693 ( -0.030 -1.199 -0.468) 1.287 6.771 ( -1.107 -9.707 -4.082) 10.588 9.286 ( -3.820 -0.425 8.860) 9.658 9.506 ( -2.173 -6.779 9.028) 11.497 11.017 ( 0.955 3.952 -12.131) 12.795 11.765 ( -0.050 -28.053 -4.041) 28.343 12.896 ( 3.284 7.545 -9.269) 12.395 13.158 ( 3.822 -6.032 -7.822) 10.591 15.028 ( 0.710 12.163 3.139) 12.582 15.472 ( 2.261 -9.516 11.860) 15.373 16.906 ( 2.377 11.585 -0.251) 11.829 17.276 ( -2.641 -6.022 0.560) 6.599 ======================= Grid point 268 (139/203) ======================= q-point: (-0.12 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 1.733 14.656 5.735) 15.833 1.795 ( 3.074 8.396 -2.167) 9.200 2.046 ( 2.139 0.783 -4.212) 4.789 2.191 ( 3.457 0.625 0.107) 3.515 2.374 ( 0.603 8.285 -2.500) 8.675 2.463 ( -0.272 1.732 -2.965) 3.445 2.558 ( -3.286 3.633 6.059) 7.792 2.842 ( -0.112 -6.678 5.458) 8.625 3.014 ( 1.410 3.634 2.997) 4.917 3.207 ( 0.815 -4.577 2.971) 5.517 3.461 ( -1.042 7.695 -1.432) 7.897 3.718 ( 0.102 -4.222 1.563) 4.503 4.646 ( -0.446 10.900 -1.402) 10.999 4.774 ( -0.045 4.412 -1.151) 4.559 4.924 ( 0.819 8.417 -0.042) 8.456 5.040 ( -0.464 2.956 0.355) 3.013 6.063 ( 0.086 0.940 3.432) 3.559 6.421 ( 2.260 -8.550 -6.415) 10.926 6.657 ( -2.618 -0.019 0.340) 2.640 6.762 ( 1.173 -7.256 -3.621) 8.194 9.249 ( -2.527 -0.363 8.423) 8.802 9.496 ( -1.720 -7.727 8.752) 11.801 10.994 ( 1.013 4.170 -11.998) 12.742 11.756 ( 0.655 -28.574 -4.395) 28.917 12.928 ( 2.760 8.239 -8.660) 12.268 13.199 ( 2.696 -6.042 -8.333) 10.640 15.055 ( 0.584 13.455 3.816) 13.998 15.569 ( 2.386 -12.058 12.518) 17.544 16.960 ( 2.413 8.448 1.056) 8.849 17.231 ( -1.713 -4.212 1.014) 4.659 ======================= Grid point 269 (140/203) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 2.261 -5.181 1.378) 5.819 1.881 ( 2.261 5.181 1.378) 5.819 2.172 ( 1.870 -6.029 1.300) 6.445 2.172 ( 1.870 6.029 1.300) 6.445 2.468 ( 0.455 -1.075 -3.721) 3.900 2.468 ( 0.455 1.075 -3.721) 3.900 2.666 ( -2.078 -9.649 4.981) 11.056 2.666 ( -2.078 9.649 4.981) 11.056 3.122 ( -0.063 -4.482 1.448) 4.711 3.122 ( -0.063 4.482 1.448) 4.711 3.564 ( -3.064 -7.158 0.430) 7.798 3.564 ( -3.064 7.158 0.430) 7.798 4.799 ( 1.520 -3.673 -1.378) 4.207 4.799 ( 1.520 3.673 -1.378) 4.207 5.051 ( 0.527 -2.243 0.298) 2.323 5.051 ( 0.527 2.243 0.298) 2.324 6.198 ( 0.339 -10.460 -2.165) 10.687 6.198 ( 0.339 10.460 -2.165) 10.687 6.678 ( -0.426 -3.298 0.131) 3.328 6.678 ( -0.426 3.298 0.131) 3.328 9.330 ( -1.150 -7.739 9.416) 12.242 9.330 ( -1.150 7.739 9.416) 12.242 11.241 ( 1.621 -21.143 -9.453) 23.217 11.241 ( 1.621 21.143 -9.453) 23.217 13.089 ( 1.252 -6.341 -7.870) 10.184 13.089 ( 1.252 6.341 -7.870) 10.184 15.361 ( -0.060 -14.160 7.636) 16.087 15.361 ( -0.060 14.160 7.636) 16.087 17.130 ( 0.711 -5.852 1.713) 6.139 17.130 ( 0.711 5.852 1.713) 6.139 ======================= Grid point 271 (141/203) ======================= q-point: ( 0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 0.128 -4.331 0.457) 4.357 1.912 ( 0.128 4.331 0.457) 4.357 2.194 ( 0.229 -3.674 -0.189) 3.686 2.194 ( 0.229 3.674 -0.189) 3.686 2.463 ( 0.091 -1.662 -4.553) 4.848 2.463 ( 0.091 1.662 -4.553) 4.848 2.648 ( -1.432 -8.817 6.860) 11.263 2.648 ( -1.432 8.817 6.860) 11.263 3.111 ( -1.500 -3.291 1.972) 4.119 3.111 ( -1.500 3.291 1.972) 4.119 3.501 ( -2.774 -6.488 0.321) 7.063 3.501 ( -2.774 6.488 0.321) 7.063 4.835 ( 2.238 -4.309 -1.316) 5.031 4.835 ( 2.238 4.309 -1.316) 5.031 5.063 ( 0.409 -1.750 0.120) 1.801 5.063 ( 0.409 1.750 0.120) 1.801 6.193 ( -0.032 -9.772 -2.034) 9.982 6.193 ( -0.032 9.772 -2.034) 9.982 6.667 ( -0.608 -3.798 -0.091) 3.847 6.667 ( -0.608 3.798 -0.091) 3.847 9.351 ( -0.110 -7.241 9.478) 11.928 9.351 ( -0.110 7.241 9.478) 11.928 11.248 ( 2.311 -21.760 -9.621) 23.904 11.248 ( 2.311 21.760 -9.621) 23.904 13.071 ( -0.302 -5.873 -7.583) 9.596 13.071 ( -0.302 5.873 -7.583) 9.596 15.366 ( -1.950 -14.236 6.777) 15.887 15.366 ( -1.950 14.236 6.777) 15.887 17.152 ( 0.819 -6.836 1.162) 6.982 17.152 ( 0.819 6.836 1.162) 6.982 ======================= Grid point 273 (142/203) ======================= q-point: ( 0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -1.805 -3.376 -0.810) 3.913 1.891 ( -1.805 3.376 -0.810) 3.913 2.187 ( -0.496 -2.082 -2.164) 3.044 2.187 ( -0.496 2.082 -2.164) 3.044 2.430 ( -1.459 -2.411 -5.018) 5.755 2.430 ( -1.459 2.411 -5.018) 5.755 2.658 ( -0.467 -6.623 8.660) 10.912 2.658 ( -0.467 6.623 8.660) 10.912 3.080 ( -2.166 -3.477 2.873) 5.004 3.080 ( -2.166 3.477 2.873) 5.004 3.463 ( -0.799 -5.674 -0.273) 5.736 3.463 ( -0.799 5.674 -0.273) 5.736 4.874 ( 1.856 -4.711 -1.186) 5.201 4.874 ( 1.856 4.711 -1.186) 5.201 5.066 ( -0.119 -1.887 0.210) 1.903 5.066 ( -0.119 1.887 0.210) 1.903 6.183 ( -0.209 -9.863 -1.927) 10.052 6.183 ( -0.209 9.863 -1.927) 10.052 6.656 ( -0.220 -4.256 -0.803) 4.337 6.656 ( -0.220 4.256 -0.803) 4.337 9.386 ( 0.020 -6.293 9.659) 11.529 9.386 ( 0.020 6.293 9.659) 11.529 11.266 ( 2.638 -21.897 -9.542) 24.030 11.266 ( 2.638 21.897 -9.542) 24.030 13.030 ( -0.928 -5.470 -7.482) 9.315 13.030 ( -0.928 5.470 -7.482) 9.315 15.332 ( -3.211 -13.227 5.473) 14.671 15.332 ( -3.211 13.227 5.473) 14.671 17.167 ( 0.340 -9.096 0.221) 9.105 17.167 ( 0.340 9.096 0.221) 9.105 ======================= Grid point 275 (143/203) ======================= q-point: ( 0.38 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -2.283 -2.518 -1.351) 3.658 1.843 ( -2.283 2.518 -1.351) 3.658 2.156 ( -1.280 -3.014 -5.170) 6.120 2.156 ( -1.280 3.014 -5.170) 6.120 2.390 ( -0.422 -2.655 -3.282) 4.243 2.390 ( -0.422 2.655 -3.282) 4.243 2.675 ( -1.049 -5.277 8.364) 9.945 2.675 ( -1.049 5.277 8.364) 9.945 3.050 ( -1.809 -4.123 3.752) 5.861 3.050 ( -1.809 4.123 3.752) 5.861 3.466 ( 1.251 -5.818 -0.573) 5.978 3.466 ( 1.251 5.818 -0.573) 5.978 4.897 ( 0.652 -4.843 -1.160) 5.023 4.897 ( 0.652 4.843 -1.160) 5.023 5.061 ( -0.502 -2.382 0.561) 2.498 5.061 ( -0.502 2.382 0.561) 2.498 6.172 ( -0.170 -10.241 -1.892) 10.416 6.172 ( -0.170 10.241 -1.892) 10.416 6.654 ( 0.512 -4.391 -1.588) 4.697 6.654 ( 0.512 4.391 -1.588) 4.697 9.413 ( -0.816 -5.386 9.846) 11.252 9.413 ( -0.816 5.386 9.846) 11.252 11.285 ( 2.336 -21.442 -9.291) 23.484 11.285 ( 2.336 21.442 -9.291) 23.484 12.989 ( -0.236 -5.316 -7.592) 9.271 12.989 ( -0.236 5.316 -7.592) 9.271 15.280 ( -3.319 -11.727 4.360) 12.944 15.280 ( -3.319 11.727 4.360) 12.944 17.167 ( -0.284 -11.289 -0.468) 11.303 17.167 ( -0.284 11.289 -0.468) 11.303 ======================= Grid point 277 (144/203) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -1.676 -2.157 -1.348) 3.046 1.795 ( -1.676 2.157 -1.348) 3.046 2.099 ( -1.982 -2.486 -6.357) 7.107 2.099 ( -1.982 2.486 -6.357) 7.107 2.404 ( 2.646 -3.794 -2.597) 5.305 2.404 ( 2.646 3.794 -2.597) 5.305 2.673 ( -1.615 -4.477 7.544) 8.920 2.673 ( -1.615 4.477 7.544) 8.920 3.035 ( -1.019 -4.448 4.519) 6.422 3.035 ( -1.019 4.448 4.519) 6.422 3.505 ( 2.549 -6.047 -0.667) 6.597 3.505 ( 2.549 6.047 -0.667) 6.597 4.891 ( -0.862 -4.636 -1.104) 4.843 4.891 ( -0.862 4.636 -1.104) 4.843 5.052 ( -0.519 -2.976 0.878) 3.146 5.052 ( -0.519 2.976 0.878) 3.146 6.165 ( 0.153 -10.297 -1.957) 10.482 6.165 ( 0.153 10.297 -1.957) 10.482 6.664 ( 0.959 -3.814 -2.000) 4.412 6.664 ( 0.959 3.814 -2.000) 4.412 9.418 ( -2.137 -5.136 9.927) 11.380 9.418 ( -2.137 5.136 9.927) 11.380 11.293 ( 1.519 -20.743 -9.010) 22.666 11.293 ( 1.519 20.743 -9.010) 22.666 12.973 ( 1.431 -5.515 -7.871) 9.717 12.973 ( 1.431 5.515 -7.871) 9.717 15.236 ( -2.163 -10.511 4.192) 11.521 15.236 ( -2.163 10.511 4.192) 11.521 17.154 ( -0.746 -12.314 -0.565) 12.350 17.154 ( -0.746 12.315 -0.565) 12.350 ======================= Grid point 279 (145/203) ======================= q-point: (-0.38 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -0.159 -3.213 -0.984) 3.364 1.771 ( -0.159 3.213 -0.984) 3.364 2.048 ( -0.729 -1.401 -4.250) 4.534 2.048 ( -0.729 1.401 -4.250) 4.534 2.457 ( 2.880 -3.839 -3.611) 6.006 2.457 ( 2.880 3.839 -3.611) 6.006 2.673 ( -0.766 -3.587 7.124) 8.013 2.673 ( -0.766 3.587 7.124) 8.013 3.041 ( 0.085 -4.639 4.538) 6.490 3.041 ( 0.085 4.639 4.538) 6.490 3.559 ( 2.694 -5.902 -0.886) 6.548 3.559 ( 2.694 5.902 -0.886) 6.548 4.857 ( -1.878 -4.145 -0.971) 4.653 4.857 ( -1.878 4.145 -0.971) 4.653 5.046 ( -0.443 -3.410 0.957) 3.569 5.046 ( -0.443 3.410 0.957) 3.569 6.167 ( 0.736 -10.353 -2.087) 10.587 6.167 ( 0.736 10.353 -2.087) 10.587 6.676 ( 0.797 -2.337 -1.809) 3.061 6.676 ( 0.797 2.337 -1.809) 3.061 9.397 ( -3.187 -5.757 9.864) 11.858 9.397 ( -3.187 5.757 9.864) 11.858 11.285 ( 0.738 -20.249 -8.832) 22.104 11.285 ( 0.738 20.249 -8.832) 22.104 12.992 ( 3.063 -6.004 -8.197) 10.612 12.992 ( 3.063 6.004 -8.197) 10.612 15.227 ( -0.223 -10.275 5.191) 11.514 15.227 ( -0.223 10.275 5.191) 11.514 17.135 ( -0.916 -11.620 -0.099) 11.656 17.135 ( -0.916 11.620 -0.099) 11.656 ======================= Grid point 281 (146/203) ======================= q-point: (-0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 1.379 -4.981 -0.175) 5.172 1.782 ( 1.379 4.981 -0.175) 5.172 2.051 ( 1.931 -3.237 -0.879) 3.871 2.051 ( 1.931 3.237 -0.879) 3.871 2.483 ( 0.942 -2.344 -3.819) 4.579 2.483 ( 0.942 2.344 -3.819) 4.579 2.687 ( -0.460 -5.504 6.111) 8.237 2.687 ( -0.460 5.504 6.111) 8.237 3.069 ( 1.174 -5.058 3.457) 6.238 3.069 ( 1.174 5.058 3.457) 6.238 3.602 ( 1.546 -5.941 -0.855) 6.198 3.602 ( 1.546 5.941 -0.855) 6.198 4.814 ( -1.727 -3.484 -0.973) 4.008 4.814 ( -1.727 3.484 -0.973) 4.008 5.041 ( -0.259 -3.450 0.826) 3.557 5.041 ( -0.259 3.450 0.826) 3.557 6.179 ( 1.127 -10.759 -2.200) 11.040 6.179 ( 1.127 10.759 -2.200) 11.040 6.683 ( 0.335 -0.831 -1.110) 1.426 6.683 ( 0.335 0.831 -1.110) 1.426 9.362 ( -3.347 -6.772 9.695) 12.290 9.362 ( -3.347 6.772 9.695) 12.290 11.265 ( 0.523 -20.182 -8.865) 22.049 11.265 ( 0.523 20.182 -8.865) 22.049 13.034 ( 3.641 -6.475 -8.355) 11.180 13.034 ( 3.641 6.475 -8.355) 11.180 15.262 ( 1.337 -11.262 6.677) 13.160 15.262 ( 1.337 11.262 6.677) 13.160 17.119 ( -0.660 -9.495 0.712) 9.544 17.119 ( -0.660 9.495 0.712) 9.544 ======================= Grid point 283 (147/203) ======================= q-point: (-0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 2.477 -5.688 0.948) 6.276 1.824 ( 2.477 5.688 0.948) 6.276 2.111 ( 3.249 -5.760 1.372) 6.754 2.111 ( 3.249 5.760 1.372) 6.754 2.477 ( 0.054 -1.485 -3.745) 4.029 2.477 ( 0.054 1.485 -3.745) 4.029 2.687 ( -1.490 -8.400 5.102) 9.940 2.687 ( -1.490 8.400 5.102) 9.940 3.105 ( 1.095 -5.259 2.027) 5.742 3.105 ( 1.095 5.259 2.027) 5.742 3.607 ( -0.936 -6.667 -0.225) 6.736 3.607 ( -0.936 6.667 -0.225) 6.736 4.789 ( -0.211 -3.166 -1.194) 3.390 4.789 ( -0.211 3.166 -1.194) 3.390 5.042 ( 0.149 -2.999 0.575) 3.057 5.042 ( 0.149 2.999 0.575) 3.057 6.193 ( 0.877 -11.010 -2.238) 11.269 6.193 ( 0.877 11.010 -2.238) 11.269 6.683 ( -0.055 -2.278 -0.292) 2.297 6.683 ( -0.055 2.278 -0.292) 2.297 9.334 ( -2.500 -7.560 9.510) 12.403 9.334 ( -2.500 7.560 9.510) 12.403 11.248 ( 0.916 -20.512 -9.127) 22.469 11.248 ( 0.916 20.512 -9.127) 22.469 13.074 ( 2.872 -6.608 -8.206) 10.920 13.074 ( 2.872 6.608 -8.206) 10.920 15.318 ( 1.395 -12.922 7.649) 15.081 15.318 ( 1.395 12.922 7.649) 15.081 17.116 ( 0.026 -7.040 1.485) 7.195 17.116 ( 0.026 7.040 1.485) 7.195 ======================= Grid point 325 (148/203) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -3.503 0.000 8.419) 9.118 1.180 ( -3.817 0.000 10.996) 11.640 1.297 ( 1.241 0.000 -7.538) 7.640 1.787 ( 3.048 0.000 -7.952) 8.516 1.868 ( -6.048 0.000 20.862) 21.721 2.149 ( 0.009 0.000 -0.724) 0.724 2.287 ( 6.338 0.000 -8.944) 10.962 2.740 ( 1.967 0.000 -2.696) 3.338 2.807 ( -0.781 0.000 2.153) 2.290 2.945 ( 0.353 0.000 -0.311) 0.471 3.220 ( -0.055 0.000 -0.356) 0.361 3.301 ( -0.647 0.000 5.891) 5.926 3.754 ( 0.176 0.000 2.851) 2.857 3.970 ( 6.184 0.000 -5.612) 8.351 4.289 ( -1.686 0.000 -1.416) 2.202 4.660 ( -0.720 0.000 -1.388) 1.564 6.415 ( -0.484 0.000 0.822) 0.954 6.485 ( -1.876 0.000 -0.774) 2.030 7.702 ( 0.317 0.000 -2.441) 2.462 8.241 ( -0.771 0.000 -1.325) 1.533 9.849 ( -0.573 0.000 3.491) 3.537 10.363 ( -3.868 0.000 14.489) 14.996 10.658 ( 2.827 0.000 -11.143) 11.496 11.663 ( 0.951 0.000 -5.844) 5.920 13.063 ( -0.427 0.000 2.602) 2.637 14.410 ( 0.188 0.000 0.161) 0.248 14.918 ( -7.842 0.000 0.024) 7.842 15.771 ( -0.004 0.000 -0.104) 0.105 16.252 ( 3.422 0.000 -2.448) 4.208 17.086 ( 2.057 0.000 1.971) 2.849 ======================= Grid point 326 (149/203) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 3.646 0.000 9.108) 9.811 1.135 ( -4.310 0.000 12.513) 13.235 1.342 ( 5.088 0.000 -5.857) 7.759 1.816 ( -5.989 0.000 18.924) 19.849 1.821 ( 2.821 0.000 -8.801) 9.242 2.166 ( 1.839 0.000 -0.900) 2.048 2.370 ( 5.115 0.000 -11.695) 12.764 2.682 ( -5.250 0.000 -5.436) 7.557 2.790 ( -1.566 0.000 2.571) 3.010 2.967 ( 1.692 0.000 -0.454) 1.752 3.217 ( -0.154 0.000 -0.164) 0.225 3.316 ( 0.112 0.000 6.218) 6.219 3.587 ( -10.015 0.000 -4.253) 10.880 4.110 ( 1.451 0.000 -8.122) 8.251 4.294 ( 4.533 0.000 1.148) 4.676 4.653 ( -0.107 0.000 0.840) 0.846 6.483 ( 7.737 0.000 0.290) 7.743 6.519 ( 3.446 0.000 1.835) 3.904 7.681 ( -1.489 0.000 -1.981) 2.478 8.184 ( -4.478 0.000 1.090) 4.609 9.852 ( -0.362 0.000 3.457) 3.476 10.369 ( -1.193 0.000 16.681) 16.723 10.698 ( 5.180 0.000 -12.918) 13.918 11.665 ( 1.207 0.000 -5.759) 5.884 13.066 ( -0.201 0.000 2.571) 2.579 14.380 ( -3.251 0.000 1.457) 3.563 14.757 ( -9.396 0.000 15.048) 17.741 15.770 ( -0.029 0.000 -0.060) 0.066 16.206 ( -5.545 0.000 -8.576) 10.212 17.057 ( -4.002 0.000 -2.114) 4.526 ======================= Grid point 327 (150/203) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 5.672 0.000 4.591) 7.297 1.099 ( -3.151 0.000 11.308) 11.738 1.445 ( 6.090 0.000 -3.876) 7.219 1.753 ( -5.893 0.000 15.279) 16.376 1.836 ( 1.332 0.000 -7.091) 7.215 2.213 ( 2.972 0.000 -1.681) 3.415 2.413 ( 2.248 0.000 -8.310) 8.609 2.532 ( -5.616 0.000 -9.005) 10.613 2.765 ( -1.558 0.000 2.496) 2.942 3.006 ( 2.043 0.000 -0.151) 2.048 3.212 ( -0.300 0.000 -0.123) 0.325 3.345 ( -0.967 0.000 9.070) 9.121 3.380 ( -6.640 0.000 -9.232) 11.371 4.052 ( -2.071 0.000 -4.768) 5.199 4.383 ( 2.261 0.000 -0.527) 2.322 4.658 ( 0.094 0.000 2.414) 2.416 6.601 ( 3.413 0.000 1.882) 3.898 6.703 ( 12.213 0.000 -1.924) 12.364 7.636 ( -2.165 0.000 -0.824) 2.316 8.077 ( -5.932 0.000 1.795) 6.198 9.858 ( -0.291 0.000 3.457) 3.469 10.405 ( -1.715 0.000 17.440) 17.524 10.783 ( 7.550 0.000 -14.127) 16.018 11.671 ( 1.341 0.000 -5.727) 5.881 13.072 ( -0.117 0.000 2.563) 2.565 14.325 ( -2.571 0.000 8.040) 8.441 14.642 ( -8.029 0.000 19.384) 20.981 15.770 ( -0.029 0.000 -0.029) 0.041 15.984 ( -10.901 0.000 -16.418) 19.707 16.957 ( -3.791 0.000 -3.092) 4.892 ======================= Grid point 328 (151/203) ======================= q-point: ( 0.38 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 2.984 0.000 -0.286) 2.998 1.088 ( -1.257 0.000 8.418) 8.511 1.542 ( 3.162 0.000 -1.387) 3.453 1.696 ( -3.066 0.000 10.247) 10.696 1.829 ( 0.106 0.000 -4.671) 4.672 2.264 ( 2.240 0.000 -2.031) 3.024 2.372 ( -3.680 0.000 -2.978) 4.734 2.450 ( 0.275 0.000 -8.382) 8.386 2.746 ( -0.977 0.000 2.101) 2.317 3.043 ( 1.411 0.000 0.329) 1.449 3.202 ( -6.562 0.000 -3.207) 7.304 3.204 ( -0.291 0.000 -0.337) 0.445 3.386 ( 1.161 0.000 3.231) 3.433 4.018 ( -0.570 0.000 -2.254) 2.325 4.393 ( -0.042 0.000 -1.236) 1.237 4.675 ( 0.791 0.000 1.794) 1.961 6.661 ( 1.513 0.000 2.791) 3.175 6.920 ( 9.048 0.000 -4.720) 10.205 7.597 ( -1.051 0.000 -0.637) 1.229 7.972 ( -4.158 0.000 0.986) 4.273 9.863 ( -0.402 0.000 3.491) 3.514 10.415 ( -2.814 0.000 15.606) 15.858 10.888 ( 6.366 0.000 -12.243) 13.799 11.678 ( 1.275 0.000 -5.764) 5.904 13.078 ( -0.226 0.000 2.581) 2.591 14.357 ( 2.633 0.000 8.259) 8.668 14.558 ( -6.762 0.000 22.865) 23.844 15.688 ( -9.927 0.000 -22.938) 24.994 15.769 ( -0.004 0.000 -0.029) 0.030 16.893 ( -1.715 0.000 -1.783) 2.474 ======================= Grid point 329 (152/203) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.972 0.000 -2.482) 2.666 1.106 ( 0.599 0.000 5.262) 5.296 1.532 ( -3.964 0.000 6.404) 7.531 1.732 ( 3.883 0.000 0.314) 3.895 1.810 ( -0.630 0.000 -2.517) 2.595 2.283 ( 0.153 0.000 -1.793) 1.799 2.304 ( -1.850 0.000 -1.632) 2.467 2.412 ( -3.055 0.000 -0.427) 3.084 2.743 ( 0.035 0.000 1.503) 1.503 3.058 ( -0.299 0.000 0.770) 0.826 3.099 ( -2.500 0.000 0.077) 2.501 3.201 ( 0.271 0.000 -0.687) 0.739 3.420 ( 1.134 0.000 1.451) 1.842 3.988 ( -2.337 0.000 1.998) 3.074 4.404 ( 2.086 0.000 -4.013) 4.523 4.697 ( 0.972 0.000 -0.019) 0.972 6.677 ( -1.161 0.000 3.529) 3.715 7.019 ( 2.292 0.000 -6.506) 6.898 7.596 ( 1.509 0.000 -2.550) 2.963 7.931 ( 0.179 0.000 0.310) 0.358 9.865 ( -0.628 0.000 3.538) 3.593 10.411 ( -2.505 0.000 14.879) 15.088 10.933 ( 1.549 0.000 -10.826) 10.936 11.682 ( 1.047 0.000 -5.851) 5.944 13.080 ( -0.464 0.000 2.616) 2.657 14.406 ( -1.055 0.000 0.365) 1.116 14.624 ( 6.641 0.000 26.809) 27.619 15.447 ( -5.298 0.000 -21.930) 22.561 15.769 ( 0.032 0.000 -0.062) 0.069 16.866 ( -0.805 0.000 -0.142) 0.817 ======================= Grid point 330 (153/203) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -1.025 0.000 -1.684) 1.971 1.146 ( 1.634 0.000 3.254) 3.641 1.467 ( -3.989 0.000 5.478) 6.776 1.787 ( -0.953 0.000 -1.151) 1.495 1.826 ( 5.558 0.000 -2.566) 6.122 2.259 ( -1.695 0.000 -1.502) 2.265 2.272 ( -4.122 0.000 6.515) 7.710 2.335 ( -2.069 0.000 2.772) 3.459 2.757 ( 0.866 0.000 1.013) 1.332 3.037 ( -1.852 0.000 0.847) 2.037 3.105 ( 2.125 0.000 4.326) 4.820 3.210 ( 0.647 0.000 -0.790) 1.021 3.434 ( -0.281 0.000 1.497) 1.523 3.960 ( -0.355 0.000 1.657) 1.695 4.431 ( 1.220 0.000 -4.072) 4.251 4.713 ( 0.908 0.000 -2.187) 2.368 6.636 ( -4.091 0.000 4.360) 5.979 6.975 ( -3.547 0.000 -9.162) 9.825 7.630 ( 2.469 0.000 -3.922) 4.634 7.985 ( 4.870 0.000 -0.313) 4.880 9.862 ( -0.839 0.000 3.571) 3.668 10.420 ( -1.943 0.000 15.816) 15.935 10.877 ( -2.739 0.000 -11.815) 12.128 11.680 ( 0.792 0.000 -5.935) 5.988 13.077 ( -0.692 0.000 2.647) 2.736 14.377 ( -1.274 0.000 1.393) 1.888 14.937 ( 14.941 0.000 4.560) 15.621 15.343 ( 1.590 0.000 -2.878) 3.288 15.770 ( 0.057 0.000 -0.106) 0.121 16.857 ( -0.226 0.000 1.684) 1.699 ======================= Grid point 331 (154/203) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -5.229 0.000 0.565) 5.259 1.188 ( 1.021 0.000 3.716) 3.854 1.406 ( -2.992 0.000 -0.214) 3.000 1.766 ( -0.478 0.000 -1.568) 1.639 1.931 ( 4.088 0.000 -1.279) 4.283 2.164 ( -6.270 0.000 11.908) 13.458 2.212 ( -2.185 0.000 -1.377) 2.583 2.413 ( 6.920 0.000 4.887) 8.471 2.782 ( 1.066 0.000 0.907) 1.400 2.996 ( -2.243 0.000 0.691) 2.347 3.199 ( 4.173 0.000 8.300) 9.290 3.218 ( 0.416 0.000 -0.714) 0.826 3.435 ( 0.755 0.000 1.799) 1.951 3.988 ( 2.248 0.000 -0.137) 2.252 4.409 ( -2.233 0.000 -2.755) 3.546 4.715 ( 0.079 0.000 -3.311) 3.312 6.547 ( -5.705 0.000 4.041) 6.991 6.824 ( -7.299 0.000 -10.543) 12.823 7.663 ( 2.019 0.000 -3.562) 4.095 8.108 ( 6.610 0.000 -1.552) 6.790 9.857 ( -0.910 0.000 3.571) 3.685 10.433 ( -2.831 0.000 17.296) 17.526 10.761 ( -3.315 0.000 -14.477) 14.852 11.674 ( 0.658 0.000 -5.968) 6.004 13.071 ( -0.775 0.000 2.655) 2.766 14.370 ( 0.296 0.000 0.270) 0.400 15.084 ( 4.190 0.000 -23.992) 24.355 15.624 ( 18.776 0.000 22.419) 29.243 15.771 ( 0.057 0.000 -0.137) 0.149 16.879 ( 1.834 0.000 4.394) 4.762 ======================= Grid point 332 (155/203) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -7.289 0.000 3.844) 8.241 1.204 ( -1.410 0.000 7.094) 7.233 1.338 ( -2.321 0.000 -5.759) 6.209 1.762 ( 1.295 0.000 -4.528) 4.710 1.927 ( -5.794 0.000 16.244) 17.247 2.168 ( -1.431 0.000 -1.117) 1.816 2.182 ( 5.110 0.000 -2.271) 5.591 2.613 ( 9.526 0.000 1.803) 9.695 2.803 ( 0.509 0.000 1.326) 1.420 2.957 ( -1.450 0.000 0.302) 1.481 3.221 ( 0.105 0.000 -0.565) 0.575 3.286 ( 0.546 0.000 8.038) 8.057 3.543 ( 9.983 0.000 3.067) 10.444 4.009 ( -1.546 0.000 0.357) 1.586 4.338 ( -2.789 0.000 -3.016) 4.108 4.691 ( -1.223 0.000 -2.789) 3.046 6.453 ( -3.771 0.000 1.918) 4.231 6.622 ( -8.456 0.000 -6.991) 10.972 7.689 ( 1.583 0.000 -2.762) 3.183 8.216 ( 3.941 0.000 -2.510) 4.672 9.851 ( -0.800 0.000 3.538) 3.627 10.411 ( -5.074 0.000 16.167) 16.944 10.670 ( -0.090 0.000 -13.810) 13.811 11.667 ( 0.724 0.000 -5.930) 5.974 13.065 ( -0.665 0.000 2.637) 2.719 14.389 ( 1.315 0.000 0.188) 1.328 15.043 ( -1.341 0.000 -15.220) 15.279 15.771 ( 0.032 0.000 -0.137) 0.140 16.057 ( 14.959 0.000 7.973) 16.952 16.976 ( 5.449 0.000 6.097) 8.177 ======================= Grid point 333 (156/203) ======================= q-point: ( 0.00 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -2.643 -5.067 6.796) 8.879 1.129 ( -2.211 -1.977 10.588) 10.995 1.323 ( -0.076 2.233 -4.791) 5.286 1.660 ( 2.790 -5.971 -6.622) 9.343 2.045 ( -5.352 10.233 11.354) 16.195 2.219 ( -0.194 6.864 2.416) 7.279 2.387 ( 4.578 7.579 -6.261) 10.844 2.569 ( 2.489 -9.035 -2.243) 9.636 2.920 ( -0.033 9.990 1.511) 10.103 3.136 ( 0.305 11.882 0.594) 11.901 3.242 ( 0.115 1.473 2.057) 2.532 3.351 ( -1.327 5.090 2.738) 5.930 3.807 ( 2.211 5.217 2.729) 6.289 3.996 ( 3.783 3.253 -4.750) 6.889 4.283 ( -1.412 -0.334 -1.956) 2.435 4.673 ( -0.841 1.365 -1.029) 1.905 6.418 ( 0.017 0.338 0.804) 0.873 6.487 ( -1.926 0.174 -0.775) 2.083 7.545 ( -0.024 -14.605 -1.311) 14.664 7.955 ( -0.469 -22.431 -0.235) 22.437 9.962 ( 0.177 -0.044 4.237) 4.241 10.442 ( 1.036 -7.737 -2.415) 8.171 10.743 ( -2.095 28.829 -1.872) 28.966 11.729 ( 1.097 3.381 -5.749) 6.759 13.088 ( -0.170 1.784 2.875) 3.388 14.347 ( -1.929 -35.951 0.154) 36.003 14.399 ( -2.738 -3.994 -0.629) 4.883 16.220 ( -4.563 27.436 0.413) 27.816 16.307 ( 5.363 5.876 -1.854) 8.169 17.026 ( 1.804 -5.339 2.532) 6.178 ======================= Grid point 334 (157/203) ======================= q-point: ( 0.12 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 4.338 -3.962 6.662) 8.882 1.122 ( -2.067 0.233 10.803) 11.001 1.352 ( 4.072 1.110 -3.659) 5.586 1.697 ( 2.677 -4.444 -6.053) 7.972 1.975 ( -4.793 8.565 9.881) 13.927 2.220 ( -0.455 4.779 2.298) 5.323 2.456 ( 3.628 4.138 -6.629) 8.616 2.566 ( -0.475 -3.733 -7.118) 8.052 2.916 ( -0.990 10.632 1.582) 10.794 3.123 ( -1.101 11.212 -0.104) 11.267 3.232 ( -1.615 0.869 0.502) 1.901 3.343 ( -0.609 3.216 5.152) 6.104 3.687 ( -7.403 9.751 -4.811) 13.154 4.133 ( 3.028 2.560 -7.293) 8.301 4.269 ( 2.644 -2.201 1.612) 3.800 4.667 ( 0.025 1.476 1.197) 1.901 6.475 ( 6.282 -0.795 -0.823) 6.385 6.520 ( 3.465 0.142 2.676) 4.381 7.530 ( -1.044 -14.043 -0.776) 14.103 7.914 ( -3.458 -21.410 0.758) 21.701 10.002 ( 2.124 1.810 3.106) 4.176 10.446 ( 0.256 -6.102 -3.301) 6.942 10.729 ( 0.885 24.426 2.568) 24.577 11.732 ( 1.191 3.301 -6.144) 7.075 13.097 ( 0.053 2.296 2.188) 3.173 14.216 ( -8.142 -28.962 8.052) 31.144 14.423 ( 1.157 -7.773 2.181) 8.155 16.014 ( -12.752 13.210 2.796) 18.572 16.378 ( 0.251 15.915 -5.474) 16.832 17.017 ( -1.923 -2.989 -1.634) 3.912 ======================= Grid point 335 (158/203) ======================= q-point: ( 0.25 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 5.812 -4.141 3.220) 7.829 1.123 ( -1.183 2.823 9.268) 9.760 1.444 ( 5.546 0.076 -2.931) 6.273 1.709 ( -0.978 -1.087 -0.167) 1.472 1.928 ( -1.855 6.549 3.627) 7.712 2.223 ( 0.562 0.583 0.463) 0.933 2.452 ( -2.034 -1.172 -4.119) 4.741 2.545 ( 1.604 6.622 -9.861) 11.986 2.894 ( -1.524 11.261 2.497) 11.635 3.106 ( -0.250 8.658 -0.937) 8.713 3.176 ( -3.773 -1.613 -0.961) 4.214 3.358 ( -0.221 1.679 7.040) 7.241 3.544 ( -4.028 13.784 -6.610) 15.809 4.093 ( -1.790 4.288 -4.398) 6.398 4.347 ( 2.449 -3.401 -0.170) 4.194 4.676 ( 0.129 1.804 2.557) 3.132 6.596 ( 4.042 -0.753 -0.074) 4.113 6.663 ( 9.616 -3.553 0.450) 10.261 7.501 ( -1.496 -12.608 -0.099) 12.697 7.830 ( -4.567 -19.653 0.673) 20.188 10.056 ( 1.662 5.166 3.718) 6.578 10.429 ( -0.807 -3.438 -2.826) 4.523 10.795 ( 4.079 16.874 3.578) 17.725 11.735 ( 1.376 3.199 -6.807) 7.646 13.104 ( -0.027 2.466 1.696) 2.993 14.117 ( -4.988 -25.867 15.525) 30.578 14.433 ( -1.001 -7.573 2.701) 8.102 15.757 ( -12.295 4.117 1.346) 13.036 16.279 ( -6.238 16.512 -8.947) 19.789 16.980 ( -0.511 3.464 -2.507) 4.307 ======================= Grid point 336 (159/203) ======================= q-point: ( 0.38 0.08 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 2.887 -3.975 1.247) 5.068 1.138 ( -0.150 4.223 6.092) 7.414 1.548 ( 5.362 -0.169 -3.365) 6.333 1.656 ( -4.317 0.395 3.871) 5.811 1.916 ( -0.324 5.679 -0.150) 5.690 2.252 ( 2.381 -1.715 -2.063) 3.587 2.389 ( -2.455 2.249 -2.700) 4.287 2.531 ( -0.662 7.081 -5.174) 8.794 2.880 ( -0.647 11.637 2.545) 11.930 3.070 ( -3.941 -3.303 -3.195) 6.053 3.112 ( -0.506 6.008 0.991) 6.111 3.375 ( -0.678 2.729 6.989) 7.533 3.477 ( -0.612 14.090 -5.550) 15.156 4.058 ( -0.869 4.249 -1.753) 4.678 4.368 ( 0.616 -2.376 -1.440) 2.845 4.692 ( 0.666 1.712 1.830) 2.593 6.661 ( 1.738 -0.134 2.152) 2.769 6.841 ( 7.283 -7.730 -3.073) 11.055 7.476 ( -0.583 -11.464 -0.513) 11.490 7.748 ( -3.012 -17.471 -0.136) 17.729 10.089 ( -0.126 7.608 5.460) 9.365 10.398 ( -1.182 -2.079 -1.952) 3.087 10.899 ( 4.224 11.964 2.532) 12.938 11.740 ( 1.474 3.358 -7.504) 8.352 13.106 ( -0.348 2.141 1.752) 2.788 14.127 ( 0.119 -27.639 18.035) 33.003 14.406 ( -2.102 -4.736 1.667) 5.443 15.530 ( -9.418 0.359 -1.144) 9.494 16.119 ( -4.753 14.399 -10.274) 18.316 16.974 ( 0.287 8.548 -1.316) 8.653 ======================= Grid point 337 (160/203) ======================= q-point: (-0.50 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 0.464 -3.239 0.672) 3.340 1.152 ( -0.248 3.140 3.888) 5.004 1.565 ( -4.711 3.550 4.358) 7.335 1.646 ( 4.292 -3.416 -4.123) 6.862 1.915 ( 0.656 5.587 -0.677) 5.666 2.278 ( -0.517 -1.067 -1.740) 2.106 2.344 ( -0.555 3.992 -0.700) 4.090 2.485 ( -2.797 7.032 0.252) 7.573 2.882 ( -0.002 12.037 1.964) 12.196 2.997 ( -1.763 -4.415 -0.435) 4.774 3.112 ( -0.050 5.514 0.567) 5.543 3.381 ( -0.736 6.912 5.215) 8.689 3.464 ( 0.355 9.355 -3.280) 9.919 4.028 ( -2.024 4.296 1.887) 5.110 4.386 ( 2.128 -1.720 -4.218) 5.028 4.713 ( 1.002 1.619 -0.054) 1.905 6.676 ( -1.421 -0.307 3.436) 3.731 6.926 ( 2.293 -9.154 -5.184) 10.767 7.480 ( 1.434 -11.330 -2.451) 11.680 7.716 ( 0.168 -16.266 -0.604) 16.279 10.090 ( -1.875 7.863 7.176) 10.809 10.374 ( -0.497 -2.317 -0.935) 2.547 10.964 ( 1.192 11.594 0.700) 11.676 11.742 ( 1.294 3.651 -7.867) 8.768 13.103 ( -0.702 1.555 2.285) 2.852 14.230 ( 3.345 -32.509 12.588) 35.021 14.384 ( 0.905 -2.326 0.098) 2.498 15.381 ( -4.458 2.437 1.527) 5.305 16.038 ( 0.269 12.998 -8.485) 15.525 16.971 ( -0.565 10.377 -0.096) 10.393 ======================= Grid point 338 (161/203) ======================= q-point: (-0.38 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -1.744 -4.025 -0.360) 4.401 1.153 ( -1.202 0.346 5.401) 5.544 1.490 ( -3.354 3.118 2.091) 5.034 1.699 ( 1.521 -3.214 -3.141) 4.745 1.949 ( 3.340 6.319 -1.875) 7.389 2.236 ( -1.557 -2.108 -0.403) 2.652 2.342 ( -1.228 6.254 3.929) 7.487 2.424 ( -3.449 8.278 3.267) 9.544 2.891 ( 0.238 11.832 1.611) 11.943 3.001 ( 1.327 -3.147 3.052) 4.580 3.118 ( 0.790 5.131 0.388) 5.206 3.385 ( -0.486 9.084 4.066) 9.965 3.457 ( -0.270 6.006 -0.296) 6.019 4.006 ( -0.237 4.857 1.512) 5.092 4.409 ( 1.141 -1.976 -4.580) 5.117 4.730 ( 0.932 1.686 -2.060) 2.821 6.627 ( -4.450 -1.213 4.287) 6.297 6.902 ( -2.318 -6.897 -7.839) 10.695 7.509 ( 2.101 -11.864 -3.585) 12.570 7.753 ( 3.519 -17.680 -0.685) 18.040 10.063 ( -3.320 6.167 8.099) 10.707 10.374 ( 0.608 -3.887 0.095) 3.936 10.953 ( -1.671 15.318 -2.388) 15.593 11.738 ( 1.012 3.704 -7.560) 8.479 13.095 ( -0.898 1.102 2.919) 3.247 14.283 ( 0.245 -18.755 0.844) 18.776 14.482 ( 6.878 -21.616 -3.321) 22.925 15.395 ( 4.636 7.011 11.708) 14.413 16.069 ( 4.973 14.983 -5.398) 16.684 16.948 ( -1.677 9.512 1.136) 9.726 ======================= Grid point 339 (162/203) ======================= q-point: (-0.25 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -5.517 -5.597 -0.418) 7.870 1.145 ( -1.872 -2.158 8.551) 9.016 1.440 ( -1.860 3.473 -2.223) 4.524 1.678 ( -2.000 -4.665 -2.437) 5.630 2.035 ( 5.303 6.218 -3.941) 9.073 2.233 ( -0.302 3.587 2.555) 4.414 2.323 ( -1.787 7.637 9.129) 12.036 2.387 ( -0.053 2.980 2.193) 3.700 2.902 ( 0.212 10.965 1.887) 11.128 3.047 ( 1.567 2.691 4.169) 5.203 3.160 ( 2.849 2.587 0.975) 3.970 3.385 ( -0.973 7.150 3.771) 8.142 3.474 ( 2.429 7.583 2.392) 8.314 4.030 ( 1.762 4.384 0.094) 4.725 4.387 ( -1.853 -1.918 -3.751) 4.603 4.732 ( -0.036 1.648 -2.986) 3.411 6.534 ( -5.552 -1.440 3.628) 6.787 6.783 ( -6.094 -3.732 -8.756) 11.302 7.532 ( 1.283 -12.520 -3.137) 12.971 7.844 ( 5.062 -20.505 -0.907) 21.140 10.015 ( -3.899 3.041 7.803) 9.238 10.396 ( 1.277 -5.694 0.260) 5.841 10.892 ( -2.615 21.513 -5.596) 22.382 11.732 ( 0.874 3.503 -6.748) 7.653 13.088 ( -0.843 1.003 3.331) 3.579 14.290 ( 1.062 -14.252 -2.609) 14.527 14.554 ( 1.983 -27.920 -9.791) 29.654 15.660 ( 15.163 7.435 13.649) 21.714 16.194 ( 7.577 19.892 -1.172) 21.319 16.920 ( -1.305 5.439 3.133) 6.411 ======================= Grid point 340 (163/203) ======================= q-point: (-0.12 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -7.100 -6.098 2.684) 9.737 1.137 ( -2.102 -2.934 9.984) 10.616 1.378 ( -2.798 3.273 -4.856) 6.490 1.642 ( 0.367 -6.051 -4.188) 7.368 2.094 ( -0.608 8.075 2.769) 8.558 2.214 ( -1.555 8.826 6.813) 11.258 2.335 ( 1.654 10.533 -2.569) 10.967 2.474 ( 5.955 -9.073 2.324) 11.099 2.912 ( 0.064 10.095 2.093) 10.310 3.099 ( 2.299 9.261 2.279) 9.811 3.216 ( 1.730 1.152 1.847) 2.781 3.371 ( -1.410 5.916 2.675) 6.644 3.604 ( 9.148 6.993 4.753) 12.457 4.044 ( -1.546 3.789 0.072) 4.093 4.324 ( -2.191 -1.115 -3.808) 4.533 4.706 ( -1.359 1.505 -2.492) 3.213 6.446 ( -3.318 -0.703 1.662) 3.776 6.610 ( -7.421 -1.039 -5.658) 9.389 7.543 ( 0.706 -13.776 -2.043) 13.944 7.930 ( 3.125 -22.292 -1.009) 22.533 9.969 ( -2.578 0.442 6.248) 6.774 10.423 ( 1.341 -7.168 -0.817) 7.338 10.813 ( -2.919 27.148 -5.845) 27.923 11.728 ( 0.967 3.361 -5.952) 6.904 13.085 ( -0.548 1.268 3.330) 3.606 14.315 ( 2.274 -15.870 -2.220) 16.185 14.507 ( -3.226 -25.509 -7.208) 26.703 16.024 ( 15.465 10.276 2.683) 18.761 16.313 ( 2.045 21.784 1.158) 21.911 16.946 ( 2.755 -1.860 5.427) 6.364 ======================= Grid point 341 (164/203) ======================= q-point: ( 0.00 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.045 7.323 3.133) 7.965 1.181 ( -0.485 7.333 7.679) 10.629 1.408 ( -1.958 7.008 -1.179) 7.371 1.608 ( 4.020 1.379 -10.270) 11.115 2.201 ( -3.131 5.553 2.828) 6.974 2.363 ( 0.228 -5.485 -0.280) 5.497 2.395 ( -1.176 8.426 5.705) 10.243 2.628 ( 3.638 10.908 -3.640) 12.061 3.130 ( 0.093 7.964 1.729) 8.150 3.250 ( -0.468 -0.116 6.572) 6.590 3.330 ( -0.576 6.826 2.410) 7.262 3.522 ( 0.507 12.610 -3.706) 13.153 3.933 ( 3.672 5.865 3.646) 7.822 4.133 ( -0.131 10.732 -3.312) 11.232 4.304 ( -0.179 3.910 -2.697) 4.754 4.717 ( -1.009 3.026 -0.467) 3.224 6.430 ( 0.987 0.845 0.349) 1.346 6.487 ( -2.093 -0.327 -0.750) 2.247 7.178 ( -0.473 -20.711 0.784) 20.731 7.496 ( 0.237 -22.164 -2.412) 22.297 9.844 ( 0.787 -9.289 2.399) 9.626 10.182 ( 0.400 -14.454 -2.672) 14.704 11.470 ( -0.545 30.594 -0.326) 30.600 11.686 ( 0.426 -4.848 -9.500) 10.674 13.080 ( 0.050 -4.362 4.526) 6.286 13.682 ( -1.993 -25.341 -3.681) 25.685 14.396 ( -0.436 2.496 0.316) 2.554 16.435 ( -1.437 7.167 3.319) 8.028 16.605 ( 1.820 5.208 -1.007) 5.608 16.970 ( 0.716 4.593 1.721) 4.957 ======================= Grid point 342 (165/203) ======================= q-point: ( 0.12 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 4.884 7.448 0.927) 8.955 1.204 ( 0.226 8.184 6.409) 10.397 1.407 ( 1.947 5.107 -0.361) 5.478 1.672 ( 5.625 2.324 -10.944) 12.523 2.129 ( -4.836 6.100 5.871) 9.750 2.293 ( -4.966 0.249 2.776) 5.695 2.439 ( 2.056 2.016 -0.053) 2.880 2.680 ( 2.718 8.935 -5.385) 10.780 3.138 ( -0.248 8.583 1.677) 8.749 3.226 ( -3.501 -1.142 4.277) 5.644 3.305 ( -2.128 5.834 2.262) 6.609 3.507 ( -0.641 14.704 -2.447) 14.920 3.926 ( -2.711 11.108 -3.829) 12.058 4.197 ( 5.191 2.676 -1.314) 5.986 4.274 ( -1.827 6.521 -2.243) 7.134 4.713 ( 0.263 3.138 1.753) 3.604 6.450 ( 2.413 -1.882 -1.536) 3.423 6.524 ( 3.658 0.127 2.515) 4.441 7.177 ( -0.099 -20.004 1.377) 20.052 7.475 ( -1.305 -20.949 -2.214) 21.106 9.897 ( 3.459 -9.349 1.202) 10.040 10.179 ( 0.322 -15.049 -3.468) 15.447 11.456 ( -0.872 34.968 2.368) 35.059 11.673 ( 1.255 -8.809 -8.196) 12.097 13.098 ( 0.373 -4.098 2.966) 5.073 13.618 ( -3.578 -23.555 2.061) 23.914 14.390 ( -0.363 2.109 1.079) 2.396 16.236 ( -15.364 10.117 5.400) 19.172 16.593 ( -4.052 0.855 -4.154) 5.866 17.038 ( 4.802 7.390 -0.567) 8.831 ======================= Grid point 343 (166/203) ======================= q-point: ( 0.25 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 5.280 5.233 -0.074) 7.434 1.233 ( 0.493 8.199 4.997) 9.614 1.469 ( 3.936 3.239 -1.422) 5.292 1.744 ( 3.920 4.443 -8.281) 10.182 2.060 ( -3.450 6.223 5.364) 8.910 2.211 ( -2.573 -1.300 -0.556) 2.935 2.464 ( 0.345 2.790 0.010) 2.811 2.698 ( 0.684 7.394 -4.546) 8.706 3.110 ( -3.778 6.566 2.941) 8.127 3.153 ( -3.448 1.012 -0.192) 3.598 3.283 ( -0.542 4.892 2.271) 5.420 3.487 ( -0.876 14.955 0.289) 14.984 3.854 ( -2.293 14.694 -5.092) 15.719 4.226 ( -1.905 7.788 -0.834) 8.061 4.281 ( 3.318 -0.166 -2.495) 4.155 4.728 ( 0.275 3.443 2.813) 4.455 6.525 ( 5.044 -6.674 -2.893) 8.852 6.611 ( 3.095 -1.551 3.447) 4.886 7.179 ( -0.323 -18.322 1.911) 18.424 7.437 ( -1.100 -17.979 -2.840) 18.235 9.977 ( 2.977 -8.932 3.335) 9.989 10.175 ( 1.152 -16.023 -6.238) 17.233 11.456 ( -0.652 34.035 6.308) 34.621 11.681 ( 2.647 -8.072 -9.604) 12.822 13.111 ( 0.071 -3.842 1.390) 4.086 13.562 ( -3.128 -22.857 7.017) 24.114 14.385 ( -0.620 1.712 1.364) 2.275 15.925 ( -15.823 11.556 7.321) 20.917 16.431 ( -8.182 -0.767 -8.450) 11.787 17.133 ( 4.334 10.518 -1.115) 11.431 ======================= Grid point 344 (167/203) ======================= q-point: ( 0.38 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 3.246 3.664 0.301) 4.904 1.251 ( -0.516 7.327 4.520) 8.624 1.543 ( 3.770 1.227 -4.047) 5.665 1.756 ( -0.539 7.954 -2.798) 8.449 2.021 ( -1.580 5.282 0.990) 5.601 2.211 ( 2.859 -1.755 -2.417) 4.135 2.453 ( -1.376 3.409 0.435) 3.701 2.679 ( -1.299 6.842 -1.588) 7.143 3.013 ( -5.015 -0.209 -0.301) 5.028 3.105 ( -1.487 6.909 1.144) 7.159 3.291 ( 0.106 6.090 2.650) 6.643 3.475 ( -0.785 13.369 2.500) 13.623 3.802 ( -1.286 15.443 -3.902) 15.980 4.193 ( -1.405 8.915 0.561) 9.043 4.324 ( 2.248 -0.227 -3.838) 4.454 4.744 ( 0.491 3.497 2.015) 4.065 6.620 ( 5.008 -10.928 -3.631) 12.557 6.657 ( 0.028 -3.481 3.436) 4.891 7.175 ( -0.681 -17.357 2.003) 17.485 7.420 ( 0.605 -14.249 -4.116) 14.844 10.022 ( -0.597 -8.541 7.777) 11.566 10.186 ( 2.415 -16.167 -9.387) 18.850 11.467 ( -1.145 28.693 9.254) 30.170 11.715 ( 4.349 -3.154 -12.852) 13.930 13.109 ( -0.686 -3.844 0.908) 4.009 13.548 ( -0.719 -24.193 8.143) 25.537 14.375 ( -0.671 1.953 1.181) 2.379 15.668 ( -11.307 11.822 9.147) 18.743 16.247 ( -5.328 -0.064 -11.128) 12.338 17.200 ( 2.334 11.904 -0.766) 12.155 ======================= Grid point 345 (168/203) ======================= q-point: (-0.50 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 0.334 2.983 0.121) 3.004 1.239 ( -2.384 6.144 6.155) 9.017 1.580 ( 1.331 0.647 -6.132) 6.308 1.733 ( -0.757 9.008 0.258) 9.044 2.010 ( 0.898 4.799 -1.406) 5.081 2.250 ( -0.011 -1.184 -2.122) 2.430 2.437 ( 0.829 4.291 -0.217) 4.376 2.643 ( -2.029 7.429 1.921) 7.937 2.937 ( -1.752 -0.628 0.864) 2.052 3.095 ( 0.040 6.636 0.945) 6.703 3.296 ( -0.613 7.975 2.939) 8.522 3.471 ( -0.675 10.730 3.682) 11.364 3.768 ( -1.206 15.643 -1.407) 15.753 4.170 ( -1.180 9.920 1.724) 10.138 4.354 ( 2.270 -0.278 -5.702) 6.143 4.763 ( 0.935 3.388 0.172) 3.519 6.628 ( -3.163 -8.734 3.314) 9.863 6.708 ( 4.151 -7.721 -4.785) 9.987 7.171 ( -0.339 -17.928 2.115) 18.055 7.426 ( 1.423 -12.359 -5.455) 13.584 10.016 ( -2.797 -8.938 9.841) 13.586 10.194 ( 1.253 -15.104 -8.772) 17.512 11.469 ( -1.885 22.300 9.598) 24.351 11.758 ( 4.465 2.846 -15.761) 16.627 13.093 ( -1.297 -4.220 2.112) 4.894 13.590 ( 2.624 -26.504 3.787) 26.901 14.372 ( 0.131 2.353 0.742) 2.471 15.543 ( -4.043 12.513 12.574) 18.194 16.160 ( 0.881 0.524 -10.758) 10.806 17.221 ( -0.167 12.457 -0.307) 12.462 ======================= Grid point 346 (169/203) ======================= q-point: (-0.38 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -3.231 2.088 -0.634) 3.899 1.204 ( -3.353 5.408 9.277) 11.250 1.564 ( -0.284 3.983 -6.190) 7.366 1.716 ( -1.748 5.085 0.401) 5.392 2.056 ( 4.083 4.783 -1.693) 6.512 2.207 ( -1.730 -0.085 -2.401) 2.961 2.469 ( 1.177 5.325 -0.142) 5.455 2.611 ( -2.202 9.119 4.366) 10.347 2.960 ( 3.011 -0.268 4.212) 5.185 3.109 ( 0.903 7.045 0.907) 7.160 3.286 ( -1.248 8.015 2.957) 8.634 3.473 ( -0.365 8.994 3.698) 9.732 3.745 ( -0.780 16.171 1.664) 16.275 4.160 ( -0.162 10.540 1.242) 10.614 4.370 ( 1.167 -0.930 -6.368) 6.541 4.780 ( 0.815 3.297 -1.521) 3.721 6.559 ( -4.285 -6.805 2.807) 8.517 6.745 ( 0.850 -7.217 -5.893) 9.356 7.181 ( 0.677 -19.027 1.867) 19.130 7.434 ( 1.294 -13.721 -5.718) 14.921 9.978 ( -4.410 -9.246 10.200) 14.456 10.181 ( 0.512 -14.494 -6.815) 16.024 11.462 ( -1.567 18.637 7.390) 20.110 11.778 ( 2.937 6.143 -16.933) 18.251 13.075 ( -1.390 -4.598 3.990) 6.245 13.666 ( 4.080 -28.030 -3.518) 28.544 14.386 ( 0.978 2.113 -0.005) 2.328 15.607 ( 5.535 13.525 16.174) 21.798 16.208 ( 6.753 0.603 -7.700) 10.259 17.191 ( -2.653 12.420 0.081) 12.700 ======================= Grid point 347 (170/203) ======================= q-point: (-0.25 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -6.203 2.020 0.260) 6.529 1.176 ( -2.682 5.425 10.821) 12.399 1.537 ( -0.191 6.328 -6.614) 9.156 1.649 ( -4.299 2.454 -0.697) 4.999 2.155 ( 5.343 5.027 -2.338) 7.700 2.205 ( 2.667 -1.593 -2.196) 3.805 2.470 ( -1.294 6.352 2.267) 6.867 2.582 ( -2.011 11.555 4.804) 12.675 3.070 ( 4.961 1.182 6.625) 8.361 3.130 ( 0.431 8.047 1.677) 8.231 3.279 ( 0.135 6.250 2.201) 6.627 3.485 ( 0.614 8.955 2.230) 9.249 3.755 ( 0.859 16.008 4.485) 16.647 4.170 ( 0.583 9.697 0.752) 9.743 4.353 ( -0.604 -0.508 -6.313) 6.362 4.780 ( -0.301 3.160 -2.236) 3.883 6.480 ( -3.825 -4.025 1.803) 5.838 6.697 ( -3.326 -4.589 -5.554) 7.935 7.198 ( 0.137 -19.433 0.700) 19.446 7.449 ( 2.039 -17.799 -4.427) 18.455 9.910 ( -4.904 -9.449 8.153) 13.409 10.176 ( 0.851 -14.227 -4.393) 14.914 11.462 ( -0.293 18.341 3.939) 18.761 11.761 ( 1.208 6.202 -16.111) 17.306 13.065 ( -1.094 -4.667 5.263) 7.119 13.716 ( 2.671 -27.754 -8.188) 29.060 14.403 ( 0.606 1.785 -0.675) 2.002 15.874 ( 14.275 13.042 14.364) 24.087 16.366 ( 9.677 -0.408 -2.985) 10.135 17.116 ( -4.648 11.855 0.508) 12.744 ======================= Grid point 348 (171/203) ======================= q-point: (-0.12 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -5.501 4.246 2.676) 7.446 1.170 ( -1.459 6.204 9.597) 11.521 1.484 ( -3.661 7.956 -3.289) 9.355 1.586 ( 0.567 0.935 -6.737) 6.826 2.217 ( 1.707 5.464 -2.781) 6.364 2.293 ( 4.539 -4.797 0.682) 6.639 2.439 ( -2.919 7.292 5.161) 9.399 2.577 ( 0.980 13.023 1.253) 13.120 3.127 ( -0.509 8.413 3.055) 8.965 3.195 ( 3.496 0.717 6.386) 7.316 3.308 ( 1.558 6.442 1.704) 6.843 3.510 ( 1.375 9.996 -1.296) 10.173 3.820 ( 3.641 12.681 6.582) 14.744 4.172 ( -1.094 9.069 -0.480) 9.148 4.317 ( -0.319 1.593 -5.179) 5.428 4.752 ( -1.575 3.076 -1.910) 3.948 6.427 ( -1.457 -1.066 0.834) 1.988 6.585 ( -5.347 -1.552 -3.638) 6.651 7.191 ( -0.792 -20.081 0.312) 20.099 7.481 ( 1.985 -21.278 -3.109) 21.596 9.851 ( -2.725 -9.357 5.124) 11.011 10.180 ( 0.740 -14.217 -2.979) 14.544 11.472 ( 0.258 22.646 0.677) 22.657 11.721 ( 0.165 2.269 -13.163) 13.359 13.067 ( -0.567 -4.547 5.418) 7.095 13.719 ( 0.410 -26.708 -7.775) 27.820 14.404 ( -0.225 2.166 -0.484) 2.230 16.234 ( 15.066 11.001 6.815) 19.861 16.543 ( 6.484 -1.084 0.474) 6.591 17.014 ( -4.868 9.822 1.449) 11.057 ======================= Grid point 349 (172/203) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 1.435 20.600 1.492) 20.704 1.378 ( 1.080 11.311 3.458) 11.877 1.605 ( -2.986 11.739 0.341) 12.118 1.726 ( 3.764 10.331 -9.429) 14.484 2.256 ( -0.917 -1.462 1.021) 2.005 2.309 ( 0.206 2.324 -2.008) 3.078 2.536 ( -1.838 5.203 4.634) 7.206 2.853 ( 1.087 10.684 -0.387) 10.746 3.176 ( -0.982 -1.942 4.203) 4.733 3.243 ( 0.218 -0.576 2.322) 2.403 3.417 ( -0.689 1.586 3.002) 3.464 3.808 ( 3.396 10.883 -3.263) 11.858 4.024 ( -1.696 7.178 2.454) 7.773 4.388 ( 0.402 13.388 -2.245) 13.581 4.476 ( 1.365 12.428 -0.980) 12.541 4.796 ( -1.012 5.000 -0.316) 5.111 6.443 ( -1.651 -1.433 -0.726) 2.304 6.459 ( 1.245 -2.034 0.178) 2.391 6.787 ( -1.458 -16.169 3.852) 16.686 7.104 ( 1.372 -16.657 -6.499) 17.932 9.638 ( 0.903 -10.607 -0.191) 10.647 9.914 ( -0.294 -11.836 1.626) 11.951 11.283 ( 0.443 -21.496 -2.940) 21.700 12.125 ( 0.042 22.872 -6.875) 23.882 12.881 ( -0.130 -15.062 5.074) 15.895 13.341 ( -0.112 -10.782 -5.828) 12.257 14.530 ( -0.462 11.012 0.493) 11.033 16.410 ( -1.408 -11.611 8.858) 14.672 16.671 ( 1.852 8.296 -3.490) 9.189 17.147 ( 0.104 8.335 0.439) 8.347 ======================= Grid point 350 (173/203) ======================= q-point: ( 0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 3.158 19.442 -1.834) 19.782 1.408 ( 0.993 11.145 0.854) 11.222 1.572 ( -0.306 11.036 1.084) 11.093 1.789 ( 5.412 9.014 -9.243) 13.999 2.205 ( -3.314 1.575 1.649) 4.023 2.292 ( -2.226 1.881 -0.066) 2.915 2.524 ( -0.818 4.397 4.715) 6.498 2.858 ( -0.290 8.367 -1.654) 8.534 3.171 ( -1.708 -2.449 5.527) 6.282 3.232 ( -1.182 0.139 0.174) 1.202 3.384 ( -3.084 2.128 2.234) 4.362 3.864 ( 3.427 15.083 -6.943) 16.955 3.991 ( -2.538 1.594 4.688) 5.564 4.389 ( 0.512 14.472 -2.216) 14.650 4.485 ( 0.238 12.790 -3.222) 13.192 4.794 ( 0.405 5.042 1.847) 5.385 6.388 ( -2.057 -4.781 0.367) 5.218 6.513 ( 2.421 -2.008 -0.349) 3.164 6.802 ( 1.101 -15.241 5.257) 16.160 7.111 ( 1.731 -15.194 -6.996) 16.817 9.682 ( 3.461 -11.326 -1.621) 11.953 9.909 ( -0.753 -11.417 1.748) 11.574 11.283 ( 0.563 -22.038 -2.913) 22.237 12.105 ( 0.007 23.451 -4.560) 23.890 12.897 ( 0.072 -15.219 3.982) 15.732 13.308 ( -1.336 -9.755 -3.694) 10.516 14.523 ( -0.565 11.099 1.304) 11.189 16.325 ( -9.585 -6.266 10.578) 15.590 16.587 ( -6.631 6.497 -7.670) 12.042 17.211 ( 4.889 7.194 -0.189) 8.700 ======================= Grid point 351 (174/203) ======================= q-point: ( 0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 2.717 16.254 -2.756) 16.709 1.425 ( 0.365 10.243 0.664) 10.271 1.589 ( 1.549 8.475 -1.148) 8.691 1.872 ( 5.290 7.902 -8.575) 12.805 2.157 ( -1.869 3.035 3.503) 4.998 2.230 ( -3.005 4.454 -0.334) 5.384 2.524 ( -0.906 2.634 3.350) 4.357 2.831 ( -1.607 5.648 -1.697) 6.112 3.116 ( -4.740 -0.876 3.044) 5.701 3.226 ( -0.023 1.395 1.579) 2.108 3.322 ( -2.893 1.040 1.400) 3.378 3.891 ( 0.540 22.447 -2.333) 22.574 3.960 ( -1.072 -4.055 1.058) 4.326 4.394 ( 0.674 14.339 -1.719) 14.458 4.474 ( 0.235 12.936 -4.405) 13.667 4.813 ( 0.441 5.105 2.778) 5.829 6.364 ( -0.570 -8.953 0.425) 8.981 6.549 ( 1.363 -5.781 -0.720) 5.983 6.850 ( 0.987 -12.328 6.206) 13.837 7.131 ( 2.781 -13.029 -7.753) 15.414 9.759 ( 4.234 -12.231 -1.844) 13.074 9.896 ( -1.064 -10.858 1.884) 11.071 11.290 ( 1.163 -22.083 -2.861) 22.298 12.098 ( 0.824 22.630 -3.514) 22.916 12.908 ( -0.288 -15.416 3.174) 15.742 13.265 ( -1.696 -9.149 -1.694) 9.458 14.516 ( -0.585 11.185 1.724) 11.333 16.122 ( -13.409 2.111 14.361) 19.761 16.397 ( -7.231 4.263 -13.319) 15.743 17.311 ( 4.494 6.127 -0.578) 7.620 ======================= Grid point 352 (175/203) ======================= q-point: ( 0.38 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 1.627 12.949 -1.787) 13.173 1.424 ( -1.153 9.566 3.057) 10.109 1.616 ( 2.165 5.791 -5.527) 8.293 1.927 ( 2.032 8.290 -5.791) 10.314 2.143 ( -1.778 6.404 4.897) 8.255 2.205 ( 2.193 2.295 -3.636) 4.827 2.504 ( -1.675 1.731 2.068) 3.175 2.783 ( -2.459 3.398 -0.750) 4.261 3.029 ( -3.903 2.102 1.887) 4.818 3.213 ( -1.625 4.076 0.904) 4.480 3.300 ( -0.084 -2.302 2.793) 3.621 3.865 ( -3.508 17.111 7.548) 19.028 3.965 ( 2.167 4.111 -6.707) 8.160 4.404 ( 0.699 13.894 -1.193) 13.962 4.465 ( 0.368 12.475 -4.411) 13.237 4.830 ( 0.408 5.099 2.114) 5.535 6.361 ( -0.008 -12.680 0.480) 12.690 6.570 ( 1.288 -7.592 -2.032) 7.964 6.873 ( -0.901 -10.746 6.577) 12.631 7.168 ( 3.212 -11.701 -8.163) 14.624 9.826 ( 2.114 -12.051 -0.041) 12.235 9.882 ( -0.691 -11.149 1.413) 11.259 11.307 ( 1.295 -21.554 -2.687) 21.759 12.114 ( 2.037 20.876 -4.691) 21.493 12.906 ( -0.941 -15.466 2.928) 15.769 13.234 ( -0.718 -9.366 -0.644) 9.415 14.512 ( -0.391 11.367 1.585) 11.484 15.913 ( -11.403 7.482 17.405) 22.112 16.228 ( -3.457 3.575 -16.455) 17.191 17.383 ( 2.540 5.768 -0.494) 6.322 ======================= Grid point 353 (176/203) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -0.368 11.079 -0.797) 11.114 1.398 ( -2.796 9.247 5.804) 11.271 1.642 ( 2.744 5.133 -8.519) 10.317 1.915 ( -1.698 8.373 -0.996) 8.601 2.131 ( -0.094 7.225 1.467) 7.373 2.248 ( 1.630 1.522 -3.536) 4.181 2.497 ( 1.368 1.794 -0.148) 2.261 2.739 ( -1.378 2.246 0.954) 2.803 2.982 ( -1.448 4.637 3.315) 5.881 3.191 ( -0.341 3.744 0.542) 3.799 3.312 ( -0.100 -2.577 3.006) 3.961 3.816 ( -4.069 13.713 9.923) 17.409 3.989 ( 2.319 9.833 -6.546) 12.038 4.411 ( 0.192 13.734 -0.708) 13.754 4.457 ( 0.315 11.247 -4.277) 12.037 4.846 ( 0.708 4.924 0.586) 5.009 6.364 ( 0.106 -13.396 0.342) 13.401 6.589 ( 1.409 -8.820 -3.912) 9.751 6.868 ( -1.633 -10.050 7.221) 12.482 7.193 ( 1.859 -11.639 -8.598) 14.589 9.831 ( -1.910 -9.754 3.454) 10.523 9.884 ( 0.343 -13.263 -0.040) 13.267 11.317 ( 0.431 -20.503 -2.459) 20.654 12.142 ( 2.474 19.049 -7.342) 20.565 12.892 ( -1.487 -15.255 3.675) 15.762 13.239 ( 1.602 -10.501 -1.652) 10.750 14.513 ( 0.138 11.422 1.025) 11.469 15.804 ( -5.033 8.980 20.120) 22.600 16.158 ( 2.446 4.088 -16.295) 16.977 17.408 ( -0.077 5.707 -0.257) 5.713 ======================= Grid point 354 (177/203) ======================= q-point: (-0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -2.937 11.377 0.553) 11.763 1.359 ( -3.012 9.474 7.535) 12.474 1.667 ( 2.562 6.201 -9.050) 11.266 1.861 ( -3.477 8.368 1.307) 9.155 2.142 ( 0.286 3.931 1.866) 4.361 2.255 ( 1.831 4.936 -5.641) 7.716 2.541 ( 2.014 2.101 -1.310) 3.192 2.745 ( 1.112 3.912 2.696) 4.879 2.999 ( 1.923 4.009 4.769) 6.520 3.204 ( 1.088 3.382 1.290) 3.780 3.313 ( -0.546 -2.073 2.166) 3.047 3.773 ( -3.361 12.585 10.034) 16.443 4.012 ( 1.711 12.130 -4.418) 13.023 4.407 ( -0.359 13.121 -0.290) 13.129 4.448 ( 0.271 10.288 -4.262) 11.139 4.860 ( 0.528 4.696 -0.794) 4.792 6.368 ( 0.304 -10.708 -0.227) 10.715 6.594 ( 0.320 -10.120 -4.329) 11.012 6.865 ( -1.055 -10.144 6.926) 12.328 7.179 ( -0.214 -12.379 -8.793) 15.186 9.782 ( -3.997 -10.220 4.066) 11.703 9.889 ( 0.216 -12.511 0.762) 12.536 11.308 ( -0.373 -19.660 -2.453) 19.816 12.159 ( 2.029 18.340 -9.474) 20.742 12.875 ( -1.545 -15.017 5.178) 15.960 13.282 ( 3.312 -11.874 -4.598) 13.157 14.524 ( 0.562 11.144 0.274) 11.162 15.860 ( 3.298 7.066 21.773) 23.128 16.212 ( 7.641 4.952 -13.695) 16.446 17.378 ( -2.656 5.765 -0.042) 6.348 ======================= Grid point 355 (178/203) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -3.875 14.264 2.783) 15.041 1.336 ( -1.692 9.886 7.889) 12.761 1.681 ( 1.835 7.608 -8.768) 11.753 1.784 ( -4.228 10.321 0.625) 11.171 2.164 ( 1.746 0.360 0.926) 2.009 2.292 ( 2.971 6.001 -5.158) 8.453 2.559 ( 0.116 2.875 0.568) 2.933 2.782 ( 1.336 7.726 2.593) 8.258 3.089 ( 4.392 0.989 5.269) 6.930 3.223 ( -0.465 2.214 1.666) 2.810 3.327 ( 1.806 -0.107 1.803) 2.554 3.751 ( -1.805 11.528 8.298) 14.318 4.030 ( 1.178 12.400 -2.258) 12.659 4.397 ( -0.395 12.199 -0.370) 12.211 4.440 ( 0.396 10.536 -3.300) 11.048 4.857 ( -0.490 4.592 -1.489) 4.852 6.377 ( 0.864 -6.198 -0.806) 6.310 6.569 ( -1.429 -9.528 -2.702) 10.006 6.863 ( -1.561 -11.192 5.074) 12.388 7.133 ( -0.846 -14.203 -8.241) 16.442 9.707 ( -4.173 -10.435 3.363) 11.730 9.899 ( 0.319 -12.053 1.356) 12.134 11.292 ( -0.173 -19.713 -2.647) 19.891 12.159 ( 1.404 19.192 -10.035) 21.703 12.867 ( -1.187 -14.951 6.145) 16.208 13.329 ( 2.973 -12.340 -6.993) 14.492 14.534 ( 0.395 10.852 -0.250) 10.862 16.072 ( 9.080 0.740 20.010) 21.986 16.359 ( 10.238 6.611 -9.863) 15.678 17.303 ( -4.497 6.100 0.151) 7.580 ======================= Grid point 356 (179/203) ======================= q-point: (-0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -1.989 18.450 3.700) 18.922 1.346 ( 0.125 10.519 6.375) 12.301 1.673 ( -1.644 8.020 -3.851) 9.047 1.709 ( -0.530 13.237 -5.520) 14.351 2.220 ( 2.993 -2.050 0.328) 3.642 2.318 ( 0.689 4.526 -3.217) 5.596 2.555 ( -1.055 4.143 2.516) 4.961 2.821 ( 1.658 10.464 1.489) 10.698 3.176 ( 0.675 -2.123 6.182) 6.572 3.214 ( 0.691 1.568 0.616) 1.822 3.387 ( 2.389 1.215 2.498) 3.664 3.761 ( 0.845 10.566 3.464) 11.152 4.039 ( -0.062 10.769 -0.209) 10.771 4.390 ( 0.018 12.142 -1.457) 12.229 4.448 ( 1.249 11.604 -1.096) 11.723 4.830 ( -1.544 4.773 -1.474) 5.229 6.402 ( 2.017 -1.733 -0.946) 2.822 6.518 ( -2.902 -6.624 -0.959) 7.296 6.827 ( -3.101 -13.389 3.487) 14.179 7.104 ( 0.699 -16.364 -6.957) 17.796 9.648 ( -2.116 -10.362 1.733) 10.717 9.910 ( 0.125 -12.003 1.549) 12.103 11.284 ( 0.381 -20.547 -2.859) 20.749 12.147 ( 0.670 21.084 -9.031) 22.947 12.869 ( -0.672 -14.984 5.997) 16.154 13.350 ( 1.506 -11.783 -7.258) 13.921 14.536 ( -0.115 10.859 -0.173) 10.861 16.313 ( 6.808 -8.918 13.590) 17.622 16.546 ( 9.816 9.486 -5.044) 14.553 17.205 ( -4.702 7.158 0.391) 8.573 ======================= Grid point 357 (180/203) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 1.324 22.166 2.767) 22.377 1.611 ( 1.611 11.636 1.292) 11.818 1.839 ( -0.757 11.398 -3.777) 12.031 1.974 ( 0.933 12.637 -3.549) 13.159 2.240 ( 0.770 0.869 -1.021) 1.547 2.365 ( -1.062 2.521 -1.033) 2.924 2.614 ( -1.170 2.999 4.172) 5.270 3.002 ( 0.223 2.003 0.348) 2.046 3.119 ( -0.604 -2.522 5.808) 6.361 3.234 ( -0.892 0.697 -1.223) 1.667 3.404 ( 0.144 -2.044 1.811) 2.735 3.831 ( 0.325 -4.128 0.320) 4.153 4.319 ( -0.505 17.350 -0.755) 17.374 4.623 ( 1.215 9.531 -1.700) 9.757 4.740 ( 1.013 12.838 0.403) 12.884 4.916 ( -0.760 6.694 -0.258) 6.742 6.296 ( -1.983 -9.421 6.809) 11.792 6.424 ( 1.915 -4.500 -5.924) 7.682 6.613 ( -1.697 -1.963 0.760) 2.704 6.848 ( 1.668 -8.685 -4.665) 9.999 9.454 ( 0.000 -6.826 3.026) 7.467 9.728 ( -0.080 -6.806 1.532) 6.977 10.899 ( 0.298 -14.620 -4.597) 15.329 12.245 ( 0.606 -19.010 -3.471) 19.334 12.684 ( 0.310 4.850 0.433) 4.879 13.188 ( 0.228 -5.617 -4.374) 7.123 14.806 ( -0.286 15.734 0.900) 15.762 16.124 ( -0.292 -15.795 6.099) 16.934 16.853 ( 0.548 9.122 -0.309) 9.144 17.250 ( 0.247 2.042 0.336) 2.084 ======================= Grid point 358 (181/203) ======================= q-point: ( 0.12 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.938 21.134 -0.841) 21.172 1.631 ( 0.378 10.996 -1.845) 11.156 1.805 ( -1.312 11.472 -2.005) 11.720 1.994 ( 2.073 10.157 -3.741) 11.021 2.236 ( -0.335 2.517 -2.163) 3.336 2.353 ( -0.449 3.269 1.652) 3.690 2.599 ( -1.722 3.499 4.740) 6.138 2.968 ( -2.914 0.851 -0.374) 3.059 3.134 ( -0.781 -0.250 7.558) 7.603 3.207 ( -0.939 -1.656 -1.709) 2.558 3.390 ( -1.816 -0.983 0.598) 2.150 3.830 ( -0.518 -6.805 0.817) 6.873 4.314 ( 0.294 18.829 -0.562) 18.840 4.648 ( 1.893 10.286 -3.034) 10.890 4.747 ( -0.045 12.811 -1.672) 12.920 4.915 ( 0.402 6.812 1.423) 6.970 6.257 ( -3.817 -7.276 6.201) 10.294 6.410 ( -0.484 -7.405 -5.389) 9.172 6.641 ( 2.717 -2.166 3.204) 4.727 6.872 ( 2.448 -8.929 -6.182) 11.132 9.486 ( 2.046 -7.180 2.400) 7.842 9.732 ( 0.066 -6.385 1.201) 6.498 10.892 ( 0.557 -14.677 -3.899) 15.196 12.245 ( 0.552 -17.483 -3.534) 17.845 12.684 ( -0.305 3.378 -0.131) 3.395 13.166 ( -0.976 -5.384 -3.312) 6.396 14.800 ( -0.621 15.731 1.163) 15.786 16.086 ( -5.025 -14.775 4.966) 16.377 16.791 ( -5.547 11.206 -1.820) 12.636 17.293 ( 3.420 1.129 -0.287) 3.613 ======================= Grid point 359 (182/203) ======================= q-point: ( 0.25 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -0.327 19.059 -3.067) 19.307 1.624 ( -0.156 9.497 -1.879) 9.682 1.772 ( -0.985 9.067 -3.054) 9.618 2.028 ( 2.407 6.863 -3.949) 8.276 2.227 ( 0.070 4.559 -1.201) 4.715 2.346 ( -0.908 5.566 2.233) 6.065 2.575 ( -2.154 3.302 4.197) 5.758 2.897 ( -3.559 0.411 -0.993) 3.718 3.118 ( -3.064 1.229 6.678) 7.449 3.203 ( 0.814 -2.759 0.157) 2.881 3.341 ( -2.726 0.620 -0.601) 2.860 3.821 ( -0.754 -8.362 2.377) 8.726 4.324 ( 0.923 19.949 -1.337) 20.015 4.673 ( 1.519 11.417 -3.322) 11.987 4.736 ( -0.099 13.061 -2.413) 13.283 4.932 ( 0.449 6.576 2.166) 6.939 6.196 ( -3.611 -6.823 5.087) 9.245 6.389 ( 0.224 -8.521 -4.758) 9.762 6.706 ( 1.694 -3.879 4.740) 6.355 6.905 ( 3.056 -9.795 -7.394) 12.648 9.547 ( 2.643 -7.724 2.705) 8.600 9.738 ( 0.020 -5.506 1.041) 5.604 10.898 ( 1.311 -14.638 -3.798) 15.179 12.244 ( 0.590 -15.632 -3.554) 16.041 12.672 ( -0.680 0.861 -0.585) 1.243 13.129 ( -1.438 -5.344 -2.429) 6.044 14.790 ( -0.746 15.148 1.207) 15.214 15.969 ( -7.425 -12.606 4.786) 15.393 16.644 ( -7.030 15.431 -3.670) 17.350 17.367 ( 3.560 -0.306 -0.578) 3.620 ======================= Grid point 360 (183/203) ======================= q-point: ( 0.38 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -0.804 16.528 -2.650) 16.759 1.610 ( -1.224 8.597 1.281) 8.778 1.750 ( 0.779 7.057 -6.656) 9.732 2.055 ( 1.210 4.295 -4.518) 6.350 2.231 ( 0.368 3.993 1.744) 4.373 2.337 ( -0.169 7.358 0.181) 7.362 2.541 ( -2.098 3.205 2.850) 4.775 2.820 ( -3.305 0.695 -1.075) 3.544 3.082 ( -2.053 2.590 5.294) 6.241 3.227 ( 0.760 -3.620 2.229) 4.318 3.286 ( -1.982 2.465 -0.995) 3.315 3.817 ( -0.653 -8.033 3.536) 8.801 4.338 ( 0.934 20.320 -2.062) 20.445 4.685 ( 0.654 12.059 -2.903) 12.421 4.728 ( -0.015 13.238 -1.738) 13.352 4.946 ( 0.278 6.320 1.783) 6.572 6.154 ( -1.936 -7.304 4.041) 8.569 6.383 ( 0.754 -9.213 -4.912) 10.467 6.739 ( -0.109 -4.494 5.322) 6.967 6.940 ( 2.745 -11.039 -7.764) 13.772 9.602 ( 1.372 -8.174 3.770) 9.106 9.739 ( -0.340 -4.681 1.238) 4.854 10.917 ( 1.838 -14.660 -4.422) 15.422 12.245 ( 0.792 -14.769 -3.807) 15.272 12.655 ( -0.749 -1.068 -0.507) 1.399 13.097 ( -0.743 -5.426 -2.137) 5.879 14.780 ( -0.562 14.339 1.023) 14.386 15.838 ( -6.501 -10.371 5.965) 13.616 16.504 ( -4.463 18.914 -4.948) 20.053 17.426 ( 2.127 -1.267 -0.440) 2.514 ======================= Grid point 361 (184/203) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -1.131 14.963 -0.653) 15.020 1.583 ( -2.083 8.738 3.622) 9.685 1.759 ( 2.595 6.000 -8.859) 11.010 2.037 ( -1.443 3.580 -1.733) 4.231 2.246 ( -0.274 3.779 2.295) 4.430 2.347 ( 1.446 6.889 -2.236) 7.386 2.532 ( 1.106 3.086 0.731) 3.358 2.768 ( -1.145 1.326 0.231) 1.768 3.072 ( -0.930 3.379 5.457) 6.485 3.237 ( -0.165 -2.913 1.156) 3.139 3.267 ( 0.186 2.481 -0.029) 2.488 3.816 ( -0.851 -6.572 4.114) 7.800 4.346 ( 0.652 19.809 -2.511) 19.978 4.680 ( -0.306 12.039 -1.882) 12.189 4.720 ( -0.394 13.366 -0.725) 13.392 4.958 ( 0.388 5.997 0.797) 6.063 6.148 ( 0.134 -7.572 2.963) 8.132 6.382 ( 0.745 -9.721 -5.041) 10.975 6.746 ( -0.805 -4.258 5.184) 6.756 6.957 ( 1.328 -11.815 -7.727) 14.179 9.620 ( -1.234 -8.298 4.832) 9.681 9.733 ( -0.671 -4.274 1.817) 4.692 10.936 ( 1.477 -14.613 -5.410) 15.652 12.248 ( 0.781 -15.271 -4.109) 15.833 12.641 ( -0.462 -1.340 0.046) 1.418 13.090 ( 0.988 -5.714 -2.676) 6.387 14.776 ( -0.074 13.752 0.811) 13.776 15.765 ( -2.679 -9.087 8.335) 12.618 16.444 ( 0.557 20.071 -4.988) 20.689 17.446 ( -0.147 -1.647 -0.124) 1.658 ======================= Grid point 362 (185/203) ======================= q-point: (-0.38 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -1.604 15.350 2.307) 15.605 1.557 ( -1.667 9.726 4.256) 10.747 1.789 ( 3.182 5.584 -8.634) 10.764 2.007 ( -1.056 5.454 0.767) 5.608 2.232 ( -1.210 4.990 1.029) 5.236 2.371 ( 1.703 5.520 -2.714) 6.383 2.578 ( 2.374 2.671 -0.875) 3.679 2.788 ( 2.660 1.107 2.011) 3.513 3.079 ( -0.139 2.843 5.442) 6.142 3.252 ( 1.262 -2.773 1.387) 3.348 3.271 ( 0.310 3.011 -0.939) 3.169 3.811 ( -0.953 -4.865 4.097) 6.431 4.347 ( 0.313 18.614 -2.634) 18.802 4.661 ( -0.976 11.685 -0.711) 11.748 4.707 ( -0.706 13.337 0.171) 13.356 4.966 ( 0.212 5.689 -0.130) 5.694 6.178 ( 1.808 -7.492 2.270) 8.034 6.378 ( 0.532 -9.494 -4.651) 10.586 6.747 ( -0.655 -3.845 4.035) 5.612 6.936 ( -0.778 -11.685 -7.195) 13.745 9.586 ( -3.678 -7.820 5.341) 10.159 9.727 ( -0.544 -4.697 2.260) 5.241 10.937 ( 0.674 -14.387 -6.085) 15.635 12.247 ( 0.592 -16.620 -3.972) 17.098 12.638 ( 0.147 0.081 0.588) 0.611 13.116 ( 2.508 -6.169 -3.874) 7.704 14.783 ( 0.409 13.727 0.681) 13.750 15.794 ( 2.293 -9.691 10.251) 14.292 16.492 ( 5.348 18.684 -3.578) 19.761 17.419 ( -2.394 -1.431 0.212) 2.797 ======================= Grid point 363 (186/203) ======================= q-point: (-0.25 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -0.652 17.756 5.417) 18.575 1.549 ( -0.426 10.908 4.022) 11.634 1.825 ( 2.897 6.306 -7.205) 10.003 1.995 ( -0.444 9.336 -0.340) 9.353 2.216 ( -0.415 4.813 0.172) 4.834 2.395 ( 1.216 3.810 -2.594) 4.767 2.607 ( 0.567 2.627 1.061) 2.889 2.870 ( 4.119 1.233 1.365) 4.511 3.104 ( 0.291 -0.049 6.202) 6.210 3.259 ( 0.178 1.391 -3.381) 3.660 3.309 ( 2.664 -0.265 2.383) 3.584 3.809 ( -0.467 -3.314 3.476) 4.825 4.342 ( 0.147 17.276 -2.631) 17.476 4.636 ( -1.323 10.698 0.232) 10.782 4.699 ( -0.065 13.518 0.859) 13.546 4.962 ( -0.510 5.640 -0.707) 5.707 6.233 ( 2.413 -7.767 3.005) 8.670 6.374 ( 0.865 -7.718 -4.479) 8.965 6.742 ( -1.297 -3.310 1.930) 4.045 6.880 ( -2.010 -10.956 -5.928) 12.618 9.520 ( -4.051 -7.152 5.086) 9.666 9.725 ( -0.433 -5.653 2.234) 6.094 10.925 ( 0.308 -14.230 -6.053) 15.467 12.245 ( 0.537 -18.190 -3.575) 18.546 12.650 ( 0.711 2.389 0.815) 2.622 13.157 ( 2.678 -6.319 -4.890) 8.427 14.795 ( 0.501 14.294 0.616) 14.316 15.916 ( 5.381 -12.160 10.104) 16.701 16.623 ( 7.710 15.449 -1.492) 17.331 17.356 ( -3.682 -0.573 0.530) 3.764 ======================= Grid point 364 (187/203) ======================= q-point: (-0.12 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 0.721 20.889 5.692) 21.663 1.570 ( 1.170 11.503 3.267) 12.015 1.850 ( 1.429 8.652 -5.625) 10.419 1.981 ( -0.354 12.560 -2.331) 12.779 2.221 ( 0.914 2.503 -0.342) 2.686 2.393 ( -0.572 2.803 -2.436) 3.758 2.616 ( -0.317 2.467 3.038) 3.926 2.955 ( 3.531 1.998 0.777) 4.131 3.120 ( -1.079 -3.017 6.593) 7.331 3.250 ( 0.064 2.735 -3.481) 4.427 3.371 ( 2.159 -1.812 2.440) 3.728 3.818 ( 0.349 -2.672 1.866) 3.278 4.333 ( -0.273 16.628 -2.049) 16.756 4.616 ( -0.399 9.710 -0.001) 9.718 4.713 ( 0.975 13.367 1.230) 13.459 4.941 ( -1.171 6.062 -0.913) 6.241 6.286 ( 0.810 -9.743 5.822) 11.379 6.389 ( 2.474 -4.027 -5.697) 7.402 6.687 ( -4.122 -3.153 -0.442) 5.208 6.841 ( 0.250 -9.438 -4.100) 10.293 9.467 ( -2.446 -6.793 4.140) 8.323 9.725 ( -0.282 -6.509 1.922) 6.793 10.911 ( 0.324 -14.378 -5.453) 15.381 12.245 ( 0.577 -19.230 -3.392) 19.535 12.670 ( 0.786 4.372 0.759) 4.507 13.185 ( 1.668 -6.020 -5.050) 8.033 14.805 ( 0.169 15.130 0.667) 15.146 16.055 ( 4.226 -14.815 8.140) 17.424 16.774 ( 6.451 11.447 -0.107) 13.140 17.283 ( -3.186 0.911 0.675) 3.382 ======================= Grid point 365 (188/203) ======================= q-point: ( 0.00 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 0.782 10.967 4.069) 11.724 1.823 ( 1.478 9.085 -0.712) 9.232 2.049 ( 1.377 9.933 -1.010) 10.079 2.184 ( -0.558 8.147 -1.865) 8.376 2.294 ( 0.441 3.582 -2.502) 4.391 2.395 ( -0.424 0.196 -1.679) 1.743 2.672 ( -0.680 3.248 4.809) 5.843 2.924 ( -0.870 -7.387 2.271) 7.777 3.090 ( 0.883 -0.363 1.449) 1.735 3.225 ( -1.132 -3.934 -0.151) 4.097 3.424 ( -0.590 5.710 0.067) 5.741 3.719 ( -1.189 -6.706 0.555) 6.833 4.619 ( 0.327 11.878 -0.811) 11.910 4.760 ( 1.157 4.137 -1.314) 4.492 4.957 ( 0.561 8.378 0.657) 8.423 5.033 ( -0.292 4.231 0.023) 4.241 6.161 ( -0.696 -3.346 5.554) 6.521 6.288 ( 0.601 -7.654 -7.050) 10.424 6.629 ( -0.417 2.261 0.255) 2.313 6.738 ( 0.509 -3.454 -0.916) 3.609 9.396 ( -0.626 1.230 5.847) 6.008 9.615 ( -0.278 -5.669 2.771) 6.316 10.779 ( 0.660 4.158 -6.416) 7.674 11.672 ( 0.748 -32.324 -3.233) 32.494 12.851 ( 0.587 8.114 -1.989) 8.374 13.088 ( 0.348 -4.773 -3.385) 5.862 15.133 ( -0.095 16.678 1.740) 16.769 15.799 ( -0.042 -16.610 4.332) 17.166 17.022 ( 0.339 7.703 0.680) 7.740 17.241 ( 0.314 -2.623 0.550) 2.698 ======================= Grid point 366 (189/203) ======================= q-point: ( 0.12 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -0.793 10.031 0.824) 10.096 1.829 ( -0.435 8.097 -2.852) 8.595 2.033 ( -2.017 11.848 -4.030) 12.676 2.158 ( -1.179 6.351 -0.201) 6.462 2.304 ( 1.196 3.275 -2.395) 4.230 2.395 ( 0.410 0.463 -0.102) 0.627 2.677 ( -0.494 4.376 4.631) 6.390 2.898 ( -2.105 -6.112 2.170) 6.819 3.118 ( 1.037 -1.370 1.356) 2.189 3.188 ( -2.437 -1.991 1.494) 3.484 3.402 ( -1.506 3.847 0.418) 4.152 3.683 ( -2.523 -7.763 2.517) 8.542 4.634 ( 1.383 12.615 -1.294) 12.756 4.792 ( 2.416 4.148 -2.651) 5.484 4.964 ( 0.156 8.361 -0.586) 8.383 5.036 ( 0.375 4.417 0.669) 4.483 6.153 ( -2.028 -2.423 5.619) 6.446 6.264 ( -0.184 -6.700 -6.536) 9.362 6.635 ( 0.552 0.846 1.055) 1.461 6.740 ( 0.292 -4.742 -1.876) 5.108 9.423 ( 1.143 0.904 5.341) 5.537 9.626 ( 0.419 -5.387 2.484) 5.947 10.776 ( 1.221 4.628 -5.768) 7.495 11.682 ( 1.401 -32.265 -3.542) 32.489 12.838 ( -0.985 7.809 -2.495) 8.257 13.069 ( -1.057 -4.672 -2.901) 5.600 15.124 ( -1.219 16.427 1.269) 16.521 15.775 ( -3.362 -16.095 2.891) 16.695 17.000 ( -2.352 9.445 -0.422) 9.742 17.267 ( 1.944 -3.506 -0.259) 4.017 ======================= Grid point 367 (190/203) ======================= q-point: ( 0.25 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -1.455 9.027 -0.471) 9.156 1.791 ( -1.657 7.235 -4.000) 8.431 1.958 ( -2.919 10.638 -5.818) 12.471 2.136 ( -0.968 3.994 -0.676) 4.165 2.313 ( 0.104 3.066 -2.048) 3.689 2.399 ( -0.152 -0.429 0.817) 0.935 2.679 ( -0.899 6.455 4.282) 7.798 2.861 ( -2.016 -3.214 1.076) 3.944 3.132 ( -1.441 -0.893 6.379) 6.600 3.151 ( -0.550 -1.627 -0.763) 1.879 3.370 ( -1.516 3.264 -0.313) 3.612 3.647 ( -1.656 -8.842 3.186) 9.543 4.661 ( 1.599 13.315 -1.560) 13.501 4.832 ( 2.215 4.523 -2.847) 5.785 4.962 ( -0.013 8.800 -0.995) 8.856 5.048 ( 0.353 4.142 1.104) 4.301 6.119 ( -2.794 -0.794 4.832) 5.638 6.244 ( 0.397 -5.916 -5.981) 8.422 6.651 ( 0.288 -1.738 2.104) 2.745 6.740 ( 0.535 -6.646 -3.077) 7.344 9.473 ( 1.700 0.307 5.308) 5.582 9.646 ( 0.524 -4.730 2.508) 5.380 10.788 ( 1.877 5.213 -5.581) 7.865 11.701 ( 1.541 -31.788 -3.527) 32.020 12.799 ( -1.677 7.222 -3.013) 8.003 13.030 ( -1.607 -4.905 -2.565) 5.764 15.095 ( -1.829 15.214 0.796) 15.344 15.692 ( -5.082 -14.644 1.850) 15.611 16.935 ( -3.283 13.189 -1.354) 13.659 17.309 ( 2.098 -5.329 -0.676) 5.767 ======================= Grid point 368 (191/203) ======================= q-point: ( 0.38 0.42 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -2.125 10.306 -1.870) 10.687 1.753 ( -1.351 5.382 -0.548) 5.576 1.893 ( -0.941 7.939 -6.957) 10.598 2.107 ( -1.429 0.743 -2.915) 3.331 2.301 ( -0.280 2.741 -0.188) 2.761 2.397 ( -0.209 -0.817 0.332) 0.907 2.670 ( -1.224 8.034 3.577) 8.879 2.822 ( -1.893 -0.475 0.310) 1.976 3.114 ( -1.758 0.531 6.435) 6.692 3.157 ( 0.369 -2.821 0.878) 2.977 3.346 ( -0.412 4.048 -1.062) 4.205 3.640 ( -0.045 -9.311 2.336) 9.599 4.683 ( 0.934 13.703 -1.379) 13.803 4.858 ( 1.057 5.037 -2.154) 5.580 4.958 ( -0.178 9.018 -0.536) 9.035 5.057 ( 0.112 3.856 1.118) 4.016 6.085 ( -1.829 0.248 3.821) 4.243 6.235 ( 0.631 -5.734 -5.545) 8.002 6.660 ( -0.137 -3.240 2.591) 4.151 6.742 ( 0.827 -8.279 -3.940) 9.206 9.520 ( 0.688 -0.295 5.740) 5.789 9.661 ( -0.032 -4.046 2.868) 4.960 10.810 ( 2.091 5.449 -5.988) 8.362 11.718 ( 1.110 -31.206 -3.242) 31.393 12.757 ( -1.145 6.657 -3.221) 7.484 12.993 ( -0.922 -5.266 -2.544) 5.921 15.061 ( -1.557 13.738 0.610) 13.839 15.597 ( -4.327 -13.088 1.920) 13.918 16.868 ( -2.378 16.681 -1.579) 16.923 17.342 ( 1.229 -6.932 -0.537) 7.060 ======================= Grid point 369 (192/203) ======================= q-point: (-0.50 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -1.764 10.499 0.599) 10.663 1.728 ( -1.054 5.385 1.063) 5.589 1.872 ( 1.271 5.759 -7.221) 9.324 2.065 ( -1.217 -0.718 -1.580) 2.120 2.308 ( 0.670 2.685 -0.332) 2.787 2.403 ( 1.211 -0.780 -1.392) 2.003 2.663 ( -0.411 8.123 3.173) 8.730 2.794 ( -0.822 0.834 0.924) 1.492 3.107 ( -1.273 0.547 6.234) 6.386 3.167 ( 0.326 -3.087 1.218) 3.335 3.347 ( 1.023 5.157 -2.176) 5.690 3.655 ( 0.763 -8.955 0.771) 9.021 4.687 ( -0.134 13.641 -0.892) 13.671 4.859 ( -0.387 5.326 -1.057) 5.444 4.950 ( -0.517 9.170 0.333) 9.191 5.062 ( 0.049 3.553 0.811) 3.645 6.075 ( -0.282 0.221 3.242) 3.262 6.230 ( 0.761 -5.753 -5.365) 7.903 6.666 ( -0.020 -3.529 2.230) 4.175 6.743 ( 0.641 -8.789 -4.197) 9.760 9.535 ( -1.438 -0.520 6.387) 6.567 9.663 ( -0.803 -3.670 3.343) 5.028 10.827 ( 1.587 5.263 -6.721) 8.683 11.722 ( 0.310 -30.874 -2.850) 31.006 12.736 ( 0.274 6.493 -3.025) 7.169 12.980 ( 0.699 -5.601 -2.842) 6.319 15.042 ( -0.441 12.860 0.939) 12.902 15.543 ( -1.467 -12.225 3.319) 12.753 16.835 ( -0.214 18.078 -1.067) 18.111 17.352 ( -0.256 -7.632 -0.074) 7.636 ======================= Grid point 370 (193/203) ======================= q-point: (-0.38 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -0.866 10.926 3.985) 11.662 1.721 ( 0.080 6.156 1.492) 6.334 1.888 ( 2.413 4.963 -5.521) 7.806 2.067 ( 1.592 0.245 1.120) 1.962 2.317 ( 0.585 3.518 -1.653) 3.931 2.425 ( 1.174 -0.266 -2.542) 2.812 2.678 ( 0.610 6.510 2.492) 6.997 2.802 ( 1.244 0.237 2.166) 2.509 3.101 ( -1.316 0.169 5.580) 5.735 3.183 ( 0.894 -3.544 1.042) 3.800 3.368 ( 1.905 6.187 -3.543) 7.379 3.674 ( 1.193 -8.034 -0.832) 8.164 4.672 ( -1.026 13.125 -0.381) 13.171 4.836 ( -1.679 5.163 0.037) 5.429 4.941 ( -0.611 9.482 1.098) 9.565 5.063 ( -0.129 3.246 0.481) 3.284 6.093 ( 0.746 -0.773 3.512) 3.672 6.232 ( 1.371 -5.647 -5.738) 8.166 6.677 ( 0.484 -3.085 1.251) 3.364 6.734 ( -0.246 -7.825 -3.597) 8.615 9.507 ( -3.366 -0.105 6.899) 7.677 9.653 ( -1.367 -3.909 3.608) 5.492 10.827 ( 0.793 4.894 -7.315) 8.837 11.711 ( -0.385 -30.946 -2.537) 31.052 12.748 ( 1.793 6.857 -2.564) 7.537 13.001 ( 2.233 -5.786 -3.319) 7.034 15.051 ( 0.844 13.103 1.577) 13.225 15.564 ( 1.975 -12.565 5.147) 13.721 16.853 ( 2.054 16.634 -0.092) 16.760 17.332 ( -1.677 -7.134 0.487) 7.344 ======================= Grid point 371 (194/203) ======================= q-point: (-0.25 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 0.856 11.459 6.608) 13.256 1.742 ( 1.432 7.565 1.415) 7.828 1.933 ( 3.266 5.584 -2.735) 7.023 2.125 ( 3.115 2.869 0.810) 4.312 2.318 ( 0.086 4.463 -2.348) 5.044 2.429 ( 0.119 -0.179 -2.141) 2.152 2.687 ( -0.815 5.204 2.969) 6.046 2.855 ( 2.758 -2.268 1.489) 3.868 3.091 ( -1.418 -0.265 4.923) 5.130 3.209 ( 1.374 -4.482 -0.015) 4.688 3.398 ( 2.139 7.004 -3.694) 8.202 3.699 ( 1.600 -6.918 -1.642) 7.288 4.647 ( -1.212 12.302 -0.239) 12.364 4.795 ( -2.202 4.814 0.753) 5.347 4.936 ( -0.245 9.522 1.503) 9.643 5.058 ( -0.518 3.176 0.208) 3.224 6.124 ( 0.622 -2.215 4.649) 5.187 6.250 ( 2.553 -5.673 -6.861) 9.262 6.687 ( -0.406 -2.446 -0.696) 2.576 6.714 ( -0.146 -5.187 -1.281) 5.345 9.454 ( -3.822 0.634 6.966) 7.971 9.635 ( -1.522 -4.641 3.533) 6.028 10.811 ( 0.348 4.494 -7.452) 8.709 11.692 ( -0.530 -31.387 -2.496) 31.491 12.786 ( 2.544 7.494 -2.083) 8.183 13.042 ( 2.692 -5.644 -3.686) 7.258 15.082 ( 1.425 14.332 2.029) 14.545 15.650 ( 3.926 -14.037 6.084) 15.795 16.912 ( 3.305 13.133 0.857) 13.570 17.292 ( -2.284 -5.600 0.976) 6.126 ======================= Grid point 372 (195/203) ======================= q-point: (-0.12 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 1.924 11.137 6.689) 13.133 1.784 ( 2.034 9.163 0.763) 9.417 1.998 ( 3.330 7.432 -0.569) 8.164 2.179 ( 1.794 6.474 -1.379) 6.858 2.304 ( -0.385 4.514 -2.701) 5.274 2.417 ( -0.649 -0.545 -1.949) 2.125 2.675 ( -1.250 3.945 4.317) 5.980 2.909 ( 1.728 -5.434 1.126) 5.812 3.081 ( -0.877 -0.212 3.646) 3.756 3.231 ( 0.691 -4.990 -0.919) 5.121 3.423 ( 1.051 7.039 -1.946) 7.378 3.722 ( 0.877 -6.303 -1.155) 6.468 4.625 ( -0.664 11.682 -0.502) 11.711 4.761 ( -1.061 4.453 0.359) 4.592 4.942 ( 0.349 9.027 1.438) 9.147 5.045 ( -0.697 3.574 -0.039) 3.642 6.148 ( 0.009 -3.199 5.356) 6.239 6.280 ( 2.503 -6.780 -7.453) 10.382 6.653 ( -1.706 -0.085 -0.716) 1.852 6.725 ( 0.860 -3.242 -0.361) 3.373 9.409 ( -2.656 1.152 6.528) 7.141 9.619 ( -1.095 -5.374 3.193) 6.346 10.792 ( 0.368 4.157 -7.101) 8.236 11.675 ( -0.058 -31.955 -2.785) 32.077 12.829 ( 2.064 7.999 -1.831) 8.462 13.078 ( 1.879 -5.199 -3.713) 6.659 15.116 ( 0.991 15.816 2.048) 15.979 15.748 ( 3.053 -15.770 5.629) 17.020 16.983 ( 2.831 9.407 1.203) 9.897 17.253 ( -1.633 -3.674 1.089) 4.165 ======================= Grid point 373 (196/203) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 1.124 -1.248 0.559) 1.770 1.901 ( 1.124 1.248 0.559) 1.770 2.222 ( 0.359 -5.477 3.271) 6.390 2.222 ( 0.359 5.477 3.271) 6.390 2.368 ( 0.448 -3.299 -4.854) 5.886 2.368 ( 0.448 3.299 -4.854) 5.886 2.768 ( -0.948 -6.951 3.622) 7.896 2.768 ( -0.948 6.951 3.622) 7.896 3.129 ( 0.120 -4.228 -0.303) 4.241 3.129 ( 0.120 4.228 -0.303) 4.241 3.571 ( -1.473 -7.878 0.249) 8.019 3.571 ( -1.473 7.878 0.249) 8.019 4.773 ( 0.809 -3.356 -0.941) 3.578 4.773 ( 0.809 3.356 -0.941) 3.578 5.060 ( 0.148 -1.851 0.389) 1.898 5.060 ( 0.148 1.851 0.389) 1.898 6.167 ( 0.179 -3.693 -0.905) 3.806 6.167 ( 0.179 3.693 -0.905) 3.806 6.680 ( -0.186 -2.669 0.067) 2.677 6.680 ( -0.186 2.669 0.067) 2.677 9.485 ( -0.645 -6.617 5.187) 8.433 9.485 ( -0.645 6.617 5.187) 8.433 11.079 ( 0.856 -24.605 -5.564) 25.241 11.079 ( 0.856 24.605 -5.564) 25.241 12.987 ( 0.510 -5.697 -2.677) 6.315 12.987 ( 0.510 5.697 -2.677) 6.315 15.466 ( -0.000 -16.696 2.892) 16.945 15.466 ( -0.000 16.696 2.892) 16.945 17.156 ( 0.325 -5.623 0.797) 5.689 17.156 ( 0.325 5.624 0.797) 5.689 ======================= Grid point 375 (197/203) ======================= q-point: ( 0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -1.071 -1.057 -1.767) 2.321 1.898 ( -1.071 1.057 -1.767) 2.321 2.210 ( -2.144 -3.556 0.856) 4.239 2.210 ( -2.144 3.556 0.856) 4.239 2.362 ( 0.394 -3.430 -3.715) 5.072 2.362 ( 0.394 3.430 -3.715) 5.072 2.772 ( 0.012 -5.578 4.182) 6.972 2.772 ( 0.012 5.578 4.182) 6.972 3.128 ( -0.175 -2.622 0.102) 2.630 3.128 ( -0.175 2.622 0.102) 2.630 3.527 ( -2.929 -7.590 2.339) 8.465 3.527 ( -2.929 7.590 2.339) 8.465 4.800 ( 2.135 -3.842 -1.913) 4.794 4.800 ( 2.135 3.842 -1.913) 4.794 5.066 ( 0.313 -1.710 0.048) 1.739 5.066 ( 0.313 1.710 0.048) 1.739 6.162 ( -0.249 -3.095 -0.992) 3.259 6.162 ( -0.249 3.095 -0.992) 3.259 6.669 ( -0.877 -2.579 0.288) 2.740 6.669 ( -0.877 2.579 0.288) 2.740 9.503 ( 0.619 -6.192 4.797) 7.857 9.503 ( 0.619 6.192 4.797) 7.857 11.086 ( 1.690 -24.995 -5.373) 25.622 11.086 ( 1.690 24.995 -5.373) 25.622 12.969 ( -1.140 -5.548 -2.793) 6.315 12.969 ( -1.140 5.548 -2.793) 6.315 15.451 ( -2.189 -16.317 1.802) 16.562 15.451 ( -2.189 16.317 1.802) 16.562 17.163 ( 0.152 -6.802 -0.192) 6.807 17.163 ( 0.152 6.802 -0.192) 6.807 ======================= Grid point 377 (198/203) ======================= q-point: ( 0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -1.830 -0.795 -2.629) 3.300 1.857 ( -1.830 0.795 -2.629) 3.300 2.144 ( -3.673 -5.053 -2.903) 6.888 2.144 ( -3.673 5.053 -2.903) 6.888 2.358 ( -0.078 -2.602 -1.089) 2.821 2.358 ( -0.078 2.602 -1.089) 2.821 2.789 ( -0.055 -4.182 3.577) 5.504 2.789 ( -0.055 4.182 3.577) 5.504 3.124 ( -0.479 -0.866 1.535) 1.827 3.124 ( -0.479 0.866 1.535) 1.827 3.481 ( -2.087 -7.431 2.375) 8.076 3.481 ( -2.087 7.431 2.375) 8.076 4.839 ( 2.149 -4.253 -2.092) 5.204 4.839 ( 2.149 4.253 -2.092) 5.204 5.072 ( 0.175 -2.063 0.103) 2.073 5.072 ( 0.175 2.063 0.103) 2.073 6.151 ( -0.436 -3.428 -1.198) 3.658 6.151 ( -0.436 3.428 -1.198) 3.658 6.650 ( -0.906 -2.113 0.230) 2.310 6.650 ( -0.906 2.113 0.230) 2.310 9.538 ( 0.980 -5.320 4.667) 7.144 9.538 ( 0.980 5.320 4.667) 7.144 11.108 ( 2.108 -25.197 -5.153) 25.805 11.108 ( 2.108 25.197 -5.153) 25.805 12.926 ( -1.843 -5.648 -2.971) 6.643 12.926 ( -1.843 5.648 -2.971) 6.643 15.396 ( -3.370 -14.964 0.904) 15.366 15.396 ( -3.370 14.964 0.904) 15.366 17.161 ( -0.093 -9.414 -0.841) 9.452 17.161 ( -0.093 9.414 -0.841) 9.452 ======================= Grid point 379 (199/203) ======================= q-point: ( 0.38 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -1.512 -0.358 -1.805) 2.382 1.814 ( -1.512 0.358 -1.805) 2.382 2.056 ( -3.106 -6.308 -4.489) 8.342 2.056 ( -3.106 6.308 -4.489) 8.342 2.353 ( -0.014 -2.766 -0.138) 2.769 2.353 ( -0.014 2.766 -0.138) 2.769 2.789 ( -0.883 -3.409 2.668) 4.418 2.789 ( -0.883 3.409 2.668) 4.418 3.121 ( -0.547 -0.828 3.003) 3.162 3.121 ( -0.547 0.828 3.003) 3.162 3.464 ( -0.050 -7.798 0.790) 7.838 3.464 ( -0.050 7.798 0.790) 7.838 4.867 ( 1.110 -4.447 -1.585) 4.850 4.867 ( 1.110 4.447 -1.585) 4.850 5.074 ( -0.084 -2.442 0.451) 2.485 5.074 ( -0.084 2.442 0.451) 2.485 6.138 ( -0.293 -4.222 -1.301) 4.427 6.138 ( -0.293 4.222 -1.301) 4.427 6.637 ( -0.328 -1.764 -0.163) 1.801 6.637 ( -0.328 1.764 -0.163) 1.801 9.569 ( 0.250 -4.450 4.859) 6.594 9.569 ( 0.250 4.450 4.859) 6.594 11.132 ( 1.816 -25.062 -5.033) 25.627 11.132 ( 1.816 25.062 -5.033) 25.627 12.882 ( -1.185 -5.895 -3.095) 6.762 12.882 ( -1.185 5.895 -3.095) 6.762 15.331 ( -2.872 -13.435 0.760) 13.759 15.331 ( -2.872 13.435 0.760) 13.759 17.154 ( -0.251 -11.899 -0.805) 11.928 17.154 ( -0.251 11.899 -0.805) 11.928 ======================= Grid point 381 (200/203) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -0.950 -0.244 -0.044) 0.982 1.784 ( -0.950 0.244 -0.044) 0.982 2.000 ( -0.808 -5.798 -3.113) 6.630 2.000 ( -0.808 5.798 -3.113) 6.630 2.362 ( 1.160 -2.720 -1.339) 3.246 2.362 ( 1.160 2.720 -1.339) 3.246 2.779 ( -0.825 -2.979 2.792) 4.165 2.779 ( -0.825 2.979 2.792) 4.165 3.121 ( -0.590 -1.419 3.520) 3.841 3.121 ( -0.590 1.419 3.520) 3.841 3.479 ( 1.498 -8.080 -1.487) 8.352 3.479 ( 1.498 8.080 -1.487) 8.352 4.871 ( -0.376 -4.414 -0.683) 4.482 4.871 ( -0.376 4.414 -0.683) 4.482 5.072 ( -0.266 -2.803 0.789) 2.924 5.072 ( -0.266 2.803 0.789) 2.924 6.131 ( 0.065 -4.414 -1.150) 4.562 6.131 ( 0.065 4.414 -1.150) 4.562 6.636 ( 0.409 -1.524 -0.758) 1.750 6.636 ( 0.409 1.524 -0.758) 1.750 9.578 ( -1.134 -4.130 5.262) 6.785 9.578 ( -1.134 4.130 5.262) 6.785 11.143 ( 0.944 -24.725 -5.059) 25.255 11.143 ( 0.944 24.725 -5.059) 25.255 12.863 ( 0.473 -6.175 -3.099) 6.925 12.863 ( 0.473 6.175 -3.099) 6.925 15.294 ( -0.880 -12.578 1.611) 12.711 15.294 ( -0.880 12.578 1.611) 12.711 17.146 ( -0.327 -12.962 -0.233) 12.968 17.146 ( -0.327 12.962 -0.233) 12.968 ======================= Grid point 383 (201/203) ======================= q-point: (-0.38 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 0.228 -0.923 1.495) 1.772 1.779 ( 0.228 0.923 1.495) 1.772 2.006 ( 1.957 -5.836 0.277) 6.162 2.006 ( 1.957 5.836 0.277) 6.162 2.385 ( 1.594 -3.189 -3.180) 4.777 2.385 ( 1.594 3.189 -3.180) 4.777 2.780 ( -0.169 -2.994 3.320) 4.473 2.780 ( -0.169 2.994 3.320) 4.473 3.121 ( -0.490 -2.223 3.033) 3.792 3.121 ( -0.490 2.223 3.033) 3.792 3.511 ( 2.349 -7.973 -3.495) 9.017 3.511 ( 2.349 7.973 -3.495) 9.017 4.848 ( -1.655 -4.162 0.222) 4.484 4.848 ( -1.655 4.162 0.222) 4.484 5.068 ( -0.407 -3.081 1.002) 3.266 5.068 ( -0.407 3.081 1.002) 3.266 6.134 ( 0.566 -4.088 -0.940) 4.233 6.134 ( 0.566 4.088 -0.940) 4.233 6.647 ( 0.867 -0.886 -1.111) 1.664 6.647 ( 0.867 0.886 -1.111) 1.664 9.560 ( -2.382 -4.626 5.650) 7.681 9.560 ( -2.382 4.626 5.650) 7.681 11.135 ( 0.058 -24.415 -5.213) 24.965 11.135 ( 0.058 24.415 -5.213) 24.965 12.880 ( 2.147 -6.360 -2.992) 7.349 12.880 ( 2.147 6.360 -2.992) 7.349 15.309 ( 1.462 -12.879 2.925) 13.288 15.309 ( 1.462 12.879 2.925) 13.288 17.140 ( -0.289 -12.032 0.568) 12.049 17.140 ( -0.289 12.032 0.568) 12.049 ======================= Grid point 385 (202/203) ======================= q-point: (-0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 1.643 -1.465 2.320) 3.198 1.805 ( 1.643 1.465 2.320) 3.198 2.076 ( 3.872 -6.966 3.193) 8.586 2.076 ( 3.872 6.966 3.193) 8.586 2.396 ( 0.599 -3.150 -4.174) 5.263 2.396 ( 0.599 3.150 -4.174) 5.263 2.788 ( -0.446 -4.416 3.241) 5.496 2.788 ( -0.446 4.416 3.241) 5.496 3.123 ( -0.170 -3.478 1.752) 3.898 3.123 ( -0.170 3.478 1.752) 3.898 3.549 ( 2.556 -7.825 -4.045) 9.172 3.549 ( 2.556 7.825 -4.045) 9.172 4.810 ( -2.061 -3.699 0.676) 4.288 4.810 ( -2.061 3.699 0.676) 4.288 5.063 ( -0.452 -3.026 1.038) 3.231 5.063 ( -0.452 3.026 1.038) 3.231 6.147 ( 0.896 -3.976 -0.872) 4.168 6.147 ( 0.896 3.976 -0.872) 4.168 6.662 ( 0.921 -0.585 -0.928) 1.432 6.662 ( 0.921 0.585 -0.928) 1.432 9.526 ( -2.775 -5.577 5.797) 8.509 9.526 ( -2.775 5.577 5.797) 8.509 11.112 ( -0.284 -24.263 -5.429) 24.865 11.112 ( -0.284 24.263 -5.429) 24.865 12.923 ( 2.838 -6.317 -2.828) 7.480 12.923 ( 2.838 6.317 -2.828) 7.480 15.367 ( 2.680 -14.220 3.781) 14.956 15.367 ( 2.680 14.220 3.781) 14.956 17.139 ( -0.072 -9.566 1.254) 9.648 17.139 ( -0.072 9.566 1.254) 9.648 ======================= Grid point 387 (203/203) ======================= q-point: (-0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 2.310 -1.614 2.206) 3.579 1.857 ( 2.310 1.614 2.206) 3.579 2.169 ( 3.341 -7.187 4.066) 8.908 2.169 ( 3.341 7.187 4.066) 8.908 2.383 ( -0.146 -3.017 -4.648) 5.543 2.383 ( -0.146 3.017 -4.648) 5.543 2.781 ( -1.214 -6.478 3.093) 7.280 2.781 ( -1.214 6.478 3.093) 7.280 3.126 ( 0.106 -4.491 0.376) 4.508 3.126 ( 0.106 4.491 0.376) 4.508 3.579 ( 1.131 -7.871 -2.544) 8.349 3.579 ( 1.131 7.871 -2.544) 8.349 4.777 ( -1.073 -3.264 0.239) 3.444 4.777 ( -1.073 3.264 0.239) 3.444 5.059 ( -0.220 -2.511 0.821) 2.651 5.059 ( -0.220 2.511 0.821) 2.651 6.161 ( 0.682 -4.097 -0.894) 4.248 6.161 ( 0.682 4.097 -0.894) 4.248 6.676 ( 0.576 -1.959 -0.402) 2.081 6.676 ( 0.576 1.959 -0.402) 2.081 9.494 ( -2.061 -6.380 5.606) 8.740 9.494 ( -2.061 6.380 5.606) 8.740 11.090 ( 0.061 -24.318 -5.586) 24.952 11.090 ( 0.061 24.318 -5.586) 24.952 12.968 ( 2.156 -6.034 -2.695) 6.951 12.968 ( 2.156 6.034 -2.695) 6.951 15.432 ( 2.029 -15.829 3.700) 16.382 15.432 ( 2.029 15.829 3.700) 16.382 17.146 ( 0.222 -6.869 1.405) 7.014 17.146 ( 0.222 6.869 1.405) 7.014 =================== 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 3/20160 10.0 86.659 210.555 181.498 0.000 -42.967 0.000 3/20160 20.0 23.602 81.593 53.981 0.000 -13.048 0.000 3/20160 30.0 10.770 43.628 25.806 0.000 -6.076 0.000 3/20160 40.0 6.693 28.927 16.384 0.000 -3.776 0.000 3/20160 50.0 4.829 21.528 11.925 0.000 -2.711 0.000 3/20160 60.0 3.777 17.157 9.361 0.000 -2.109 0.000 3/20160 70.0 3.104 14.295 7.710 0.000 -1.726 0.000 3/20160 80.0 2.639 12.283 6.564 0.000 -1.461 0.000 3/20160 90.0 2.298 10.793 5.726 0.000 -1.269 0.000 3/20160 100.0 2.038 9.646 5.089 0.000 -1.122 0.000 3/20160 110.0 1.833 8.733 4.589 0.000 -1.007 0.000 3/20160 120.0 1.668 7.990 4.186 0.000 -0.913 0.000 3/20160 130.0 1.533 7.370 3.854 0.000 -0.836 0.000 3/20160 140.0 1.419 6.845 3.577 0.000 -0.771 0.000 3/20160 150.0 1.322 6.395 3.340 0.000 -0.716 0.000 3/20160 160.0 1.238 6.002 3.135 0.000 -0.668 0.000 3/20160 170.0 1.166 5.657 2.957 0.000 -0.626 0.000 3/20160 180.0 1.102 5.351 2.799 0.000 -0.589 0.000 3/20160 190.0 1.045 5.078 2.659 0.000 -0.556 0.000 3/20160 200.0 0.994 4.832 2.532 0.000 -0.527 0.000 3/20160 210.0 0.948 4.609 2.418 0.000 -0.501 0.000 3/20160 220.0 0.906 4.407 2.315 0.000 -0.477 0.000 3/20160 230.0 0.868 4.221 2.220 0.000 -0.455 0.000 3/20160 240.0 0.833 4.051 2.133 0.000 -0.436 0.000 3/20160 250.0 0.801 3.894 2.053 0.000 -0.418 0.000 3/20160 260.0 0.772 3.749 1.978 0.000 -0.401 0.000 3/20160 270.0 0.744 3.615 1.909 0.000 -0.386 0.000 3/20160 280.0 0.719 3.490 1.845 0.000 -0.371 0.000 3/20160 290.0 0.695 3.373 1.785 0.000 -0.358 0.000 3/20160 300.0 0.673 3.264 1.729 0.000 -0.346 0.000 3/20160 310.0 0.652 3.162 1.676 0.000 -0.334 0.000 3/20160 320.0 0.632 3.066 1.627 0.000 -0.324 0.000 3/20160 330.0 0.614 2.975 1.580 0.000 -0.314 0.000 3/20160 340.0 0.597 2.890 1.536 0.000 -0.304 0.000 3/20160 350.0 0.580 2.810 1.494 0.000 -0.295 0.000 3/20160 360.0 0.565 2.734 1.454 0.000 -0.287 0.000 3/20160 370.0 0.550 2.661 1.417 0.000 -0.279 0.000 3/20160 380.0 0.536 2.593 1.381 0.000 -0.272 0.000 3/20160 390.0 0.523 2.528 1.347 0.000 -0.264 0.000 3/20160 400.0 0.510 2.466 1.315 0.000 -0.258 0.000 3/20160 410.0 0.498 2.407 1.284 0.000 -0.251 0.000 3/20160 420.0 0.487 2.351 1.255 0.000 -0.245 0.000 3/20160 430.0 0.476 2.298 1.227 0.000 -0.239 0.000 3/20160 440.0 0.465 2.246 1.200 0.000 -0.234 0.000 3/20160 450.0 0.455 2.197 1.174 0.000 -0.229 0.000 3/20160 460.0 0.446 2.151 1.150 0.000 -0.224 0.000 3/20160 470.0 0.436 2.106 1.126 0.000 -0.219 0.000 3/20160 480.0 0.428 2.062 1.103 0.000 -0.214 0.000 3/20160 490.0 0.419 2.021 1.082 0.000 -0.210 0.000 3/20160 500.0 0.411 1.981 1.061 0.000 -0.205 0.000 3/20160 510.0 0.403 1.943 1.040 0.000 -0.201 0.000 3/20160 520.0 0.395 1.906 1.021 0.000 -0.197 0.000 3/20160 530.0 0.388 1.871 1.002 0.000 -0.194 0.000 3/20160 540.0 0.381 1.837 0.984 0.000 -0.190 0.000 3/20160 550.0 0.374 1.804 0.967 0.000 -0.187 0.000 3/20160 560.0 0.368 1.772 0.950 0.000 -0.183 0.000 3/20160 570.0 0.362 1.741 0.934 0.000 -0.180 0.000 3/20160 580.0 0.355 1.712 0.918 0.000 -0.177 0.000 3/20160 590.0 0.350 1.683 0.903 0.000 -0.174 0.000 3/20160 600.0 0.344 1.655 0.888 0.000 -0.171 0.000 3/20160 610.0 0.338 1.629 0.874 0.000 -0.168 0.000 3/20160 620.0 0.333 1.603 0.860 0.000 -0.165 0.000 3/20160 630.0 0.328 1.577 0.847 0.000 -0.163 0.000 3/20160 640.0 0.323 1.553 0.834 0.000 -0.160 0.000 3/20160 650.0 0.318 1.529 0.821 0.000 -0.158 0.000 3/20160 660.0 0.313 1.507 0.809 0.000 -0.155 0.000 3/20160 670.0 0.309 1.484 0.797 0.000 -0.153 0.000 3/20160 680.0 0.304 1.463 0.786 0.000 -0.151 0.000 3/20160 690.0 0.300 1.442 0.775 0.000 -0.148 0.000 3/20160 700.0 0.296 1.421 0.764 0.000 -0.146 0.000 3/20160 710.0 0.291 1.401 0.753 0.000 -0.144 0.000 3/20160 720.0 0.287 1.382 0.743 0.000 -0.142 0.000 3/20160 730.0 0.284 1.363 0.733 0.000 -0.140 0.000 3/20160 740.0 0.280 1.345 0.723 0.000 -0.138 0.000 3/20160 750.0 0.276 1.327 0.714 0.000 -0.137 0.000 3/20160 760.0 0.273 1.310 0.704 0.000 -0.135 0.000 3/20160 770.0 0.269 1.293 0.695 0.000 -0.133 0.000 3/20160 780.0 0.266 1.277 0.687 0.000 -0.131 0.000 3/20160 790.0 0.262 1.261 0.678 0.000 -0.130 0.000 3/20160 800.0 0.259 1.245 0.670 0.000 -0.128 0.000 3/20160 810.0 0.256 1.230 0.662 0.000 -0.126 0.000 3/20160 820.0 0.253 1.215 0.654 0.000 -0.125 0.000 3/20160 830.0 0.250 1.200 0.646 0.000 -0.123 0.000 3/20160 840.0 0.247 1.186 0.638 0.000 -0.122 0.000 3/20160 850.0 0.244 1.172 0.631 0.000 -0.120 0.000 3/20160 860.0 0.241 1.159 0.624 0.000 -0.119 0.000 3/20160 870.0 0.238 1.146 0.616 0.000 -0.118 0.000 3/20160 880.0 0.236 1.133 0.610 0.000 -0.116 0.000 3/20160 890.0 0.233 1.120 0.603 0.000 -0.115 0.000 3/20160 900.0 0.231 1.108 0.596 0.000 -0.114 0.000 3/20160 910.0 0.228 1.096 0.590 0.000 -0.112 0.000 3/20160 920.0 0.226 1.084 0.583 0.000 -0.111 0.000 3/20160 930.0 0.223 1.072 0.577 0.000 -0.110 0.000 3/20160 940.0 0.221 1.061 0.571 0.000 -0.109 0.000 3/20160 950.0 0.219 1.050 0.565 0.000 -0.108 0.000 3/20160 960.0 0.216 1.039 0.559 0.000 -0.107 0.000 3/20160 970.0 0.214 1.028 0.554 0.000 -0.105 0.000 3/20160 980.0 0.212 1.018 0.548 0.000 -0.104 0.000 3/20160 990.0 0.210 1.008 0.543 0.000 -0.103 0.000 3/20160 1000.0 0.208 0.998 0.537 0.000 -0.102 0.000 3/20160 Thermal conductivity related properties were written into "kappa-m8127.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:50:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|