----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:17:49]------------------------- 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 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3m (160) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.091377779397983 1.207457523912625 13.720904016666653 b -2.091377779397979 1.207457523912625 13.720904016666653 c 0.000000000000002 -2.414915047825254 13.720904016666653 Atomic positions (fractional): *1 Cu 0.72961299608869 0.72961299608869 0.72961299608869 63.546 *2 Cu 0.56258023528467 0.56258023528467 0.56258023528467 63.546 *3 Cu 0.31284060863499 0.31284060863500 0.31284060863499 63.546 *4 Cu 0.14602794573008 0.14602794573008 0.14602794573008 63.546 *5 I 0.79175428885427 0.79175428885427 0.79175428885427 126.904 *6 I 0.62498145365023 0.62498145365023 0.62498145365023 126.904 *7 I 0.37513320005760 0.37513320005760 0.37513320005760 126.904 *8 I 0.20826926503280 0.20826926503280 0.20826926503280 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.182755558795963 0.000000000000000 0.000000000000000 b -2.091377779397981 3.622372571737879 0.000000000000000 c 0.000000000000000 0.000000000000000 41.162712050000003 Atomic positions (fractional): *1 Cu 0.66666666666667 0.33333333333333 0.06294632942202 63.546 > 1 *2 Cu 0.33333333333333 0.66666666666667 0.22924690195133 63.546 > 2 *3 Cu 0.00000000000000 0.00000000000000 0.31284060863499 63.546 > 3 *4 Cu 0.00000000000000 0.00000000000000 0.14602794573008 63.546 > 4 5 Cu 0.33333333333333 0.66666666666667 0.39627966275536 63.546 > 1 6 Cu 0.00000000000000 0.00000000000000 0.56258023528467 63.546 > 2 7 Cu 0.66666666666667 0.33333333333333 0.64617394196833 63.546 > 3 8 Cu 0.66666666666667 0.33333333333333 0.47936127906341 63.546 > 4 9 Cu 0.00000000000000 0.00000000000000 0.72961299608869 63.546 > 1 10 Cu 0.66666666666667 0.33333333333333 0.89591356861800 63.546 > 2 11 Cu 0.33333333333333 0.66666666666667 0.97950727530166 63.546 > 3 12 Cu 0.33333333333333 0.66666666666667 0.81269461239675 63.546 > 4 *13 I 0.66666666666667 0.33333333333333 0.12508762218761 126.904 > 5 *14 I 0.33333333333333 0.66666666666667 0.29164812031690 126.904 > 6 *15 I 0.33333333333333 0.66666666666667 0.04179986672427 126.904 > 7 *16 I 0.00000000000000 0.00000000000000 0.20826926503280 126.904 > 8 17 I 0.33333333333333 0.66666666666667 0.45842095552094 126.904 > 5 18 I 0.00000000000000 0.00000000000000 0.62498145365023 126.904 > 6 19 I 0.00000000000000 0.00000000000000 0.37513320005760 126.904 > 7 20 I 0.66666666666667 0.33333333333333 0.54160259836613 126.904 > 8 21 I 0.00000000000000 0.00000000000000 0.79175428885427 126.904 > 5 22 I 0.66666666666667 0.33333333333333 0.95831478698356 126.904 > 6 23 I 0.66666666666667 0.33333333333333 0.70846653339094 126.904 > 7 24 I 0.33333333333333 0.66666666666667 0.87493593169946 126.904 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.365511117591925 0.000000000000000 0.000000000000000 b -4.182755558795962 7.244745143475758 0.000000000000000 c 0.000000000000000 0.000000000000000 41.162712050000003 Atomic positions (fractional): *1 Cu 0.33333333333333 0.16666666666667 0.06294632942202 63.546 > 1 2 Cu 0.83333333333333 0.16666666666667 0.06294632942202 63.546 > 1 3 Cu 0.33333333333333 0.66666666666667 0.06294632942202 63.546 > 1 4 Cu 0.83333333333333 0.66666666666667 0.06294632942202 63.546 > 1 *5 Cu 0.16666666666667 0.33333333333333 0.22924690195133 63.546 > 2 6 Cu 0.66666666666667 0.33333333333333 0.22924690195133 63.546 > 2 7 Cu 0.16666666666667 0.83333333333333 0.22924690195133 63.546 > 2 8 Cu 0.66666666666667 0.83333333333333 0.22924690195133 63.546 > 2 *9 Cu 0.00000000000000 0.00000000000000 0.31284060863499 63.546 > 3 10 Cu 0.50000000000000 0.00000000000000 0.31284060863499 63.546 > 3 11 Cu 0.00000000000000 0.50000000000000 0.31284060863499 63.546 > 3 12 Cu 0.50000000000000 0.50000000000000 0.31284060863499 63.546 > 3 *13 Cu 0.00000000000000 0.00000000000000 0.14602794573008 63.546 > 4 14 Cu 0.50000000000000 0.00000000000000 0.14602794573008 63.546 > 4 15 Cu 0.00000000000000 0.50000000000000 0.14602794573008 63.546 > 4 16 Cu 0.50000000000000 0.50000000000000 0.14602794573008 63.546 > 4 17 Cu 0.16666666666667 0.33333333333333 0.39627966275536 63.546 > 1 18 Cu 0.66666666666667 0.33333333333333 0.39627966275536 63.546 > 1 19 Cu 0.16666666666667 0.83333333333333 0.39627966275536 63.546 > 1 20 Cu 0.66666666666667 0.83333333333333 0.39627966275536 63.546 > 1 21 Cu 0.00000000000000 0.00000000000000 0.56258023528467 63.546 > 2 22 Cu 0.50000000000000 0.00000000000000 0.56258023528467 63.546 > 2 23 Cu 0.00000000000000 0.50000000000000 0.56258023528467 63.546 > 2 24 Cu 0.50000000000000 0.50000000000000 0.56258023528467 63.546 > 2 25 Cu 0.33333333333333 0.16666666666667 0.64617394196833 63.546 > 3 26 Cu 0.83333333333333 0.16666666666667 0.64617394196833 63.546 > 3 27 Cu 0.33333333333333 0.66666666666667 0.64617394196833 63.546 > 3 28 Cu 0.83333333333333 0.66666666666667 0.64617394196833 63.546 > 3 29 Cu 0.33333333333333 0.16666666666667 0.47936127906341 63.546 > 4 30 Cu 0.83333333333333 0.16666666666667 0.47936127906341 63.546 > 4 31 Cu 0.33333333333333 0.66666666666667 0.47936127906341 63.546 > 4 32 Cu 0.83333333333333 0.66666666666667 0.47936127906341 63.546 > 4 33 Cu 0.00000000000000 0.00000000000000 0.72961299608869 63.546 > 1 34 Cu 0.50000000000000 0.00000000000000 0.72961299608869 63.546 > 1 35 Cu 0.00000000000000 0.50000000000000 0.72961299608869 63.546 > 1 36 Cu 0.50000000000000 0.50000000000000 0.72961299608869 63.546 > 1 37 Cu 0.33333333333333 0.16666666666667 0.89591356861800 63.546 > 2 38 Cu 0.83333333333333 0.16666666666667 0.89591356861800 63.546 > 2 39 Cu 0.33333333333333 0.66666666666667 0.89591356861800 63.546 > 2 40 Cu 0.83333333333333 0.66666666666667 0.89591356861800 63.546 > 2 41 Cu 0.16666666666667 0.33333333333333 0.97950727530166 63.546 > 3 42 Cu 0.66666666666667 0.33333333333333 0.97950727530166 63.546 > 3 43 Cu 0.16666666666667 0.83333333333333 0.97950727530166 63.546 > 3 44 Cu 0.66666666666667 0.83333333333333 0.97950727530166 63.546 > 3 45 Cu 0.16666666666667 0.33333333333333 0.81269461239675 63.546 > 4 46 Cu 0.66666666666667 0.33333333333333 0.81269461239675 63.546 > 4 47 Cu 0.16666666666667 0.83333333333333 0.81269461239675 63.546 > 4 48 Cu 0.66666666666667 0.83333333333333 0.81269461239675 63.546 > 4 *49 I 0.33333333333333 0.16666666666667 0.12508762218761 126.904 > 5 50 I 0.83333333333333 0.16666666666667 0.12508762218761 126.904 > 5 51 I 0.33333333333333 0.66666666666667 0.12508762218761 126.904 > 5 52 I 0.83333333333333 0.66666666666667 0.12508762218761 126.904 > 5 *53 I 0.16666666666667 0.33333333333333 0.29164812031690 126.904 > 6 54 I 0.66666666666667 0.33333333333333 0.29164812031690 126.904 > 6 55 I 0.16666666666667 0.83333333333333 0.29164812031690 126.904 > 6 56 I 0.66666666666667 0.83333333333333 0.29164812031690 126.904 > 6 *57 I 0.16666666666667 0.33333333333333 0.04179986672427 126.904 > 7 58 I 0.66666666666667 0.33333333333333 0.04179986672427 126.904 > 7 59 I 0.16666666666667 0.83333333333333 0.04179986672427 126.904 > 7 60 I 0.66666666666667 0.83333333333333 0.04179986672427 126.904 > 7 *61 I 0.00000000000000 0.00000000000000 0.20826926503280 126.904 > 8 62 I 0.50000000000000 0.00000000000000 0.20826926503280 126.904 > 8 63 I 0.00000000000000 0.50000000000000 0.20826926503280 126.904 > 8 64 I 0.50000000000000 0.50000000000000 0.20826926503280 126.904 > 8 65 I 0.16666666666667 0.33333333333333 0.45842095552094 126.904 > 5 66 I 0.66666666666667 0.33333333333333 0.45842095552094 126.904 > 5 67 I 0.16666666666667 0.83333333333333 0.45842095552094 126.904 > 5 68 I 0.66666666666667 0.83333333333333 0.45842095552094 126.904 > 5 69 I 0.00000000000000 0.00000000000000 0.62498145365023 126.904 > 6 70 I 0.50000000000000 0.00000000000000 0.62498145365023 126.904 > 6 71 I 0.00000000000000 0.50000000000000 0.62498145365023 126.904 > 6 72 I 0.50000000000000 0.50000000000000 0.62498145365023 126.904 > 6 73 I 0.00000000000000 0.00000000000000 0.37513320005760 126.904 > 7 74 I 0.50000000000000 0.00000000000000 0.37513320005760 126.904 > 7 75 I 0.00000000000000 0.50000000000000 0.37513320005760 126.904 > 7 76 I 0.50000000000000 0.50000000000000 0.37513320005760 126.904 > 7 77 I 0.33333333333333 0.16666666666667 0.54160259836613 126.904 > 8 78 I 0.83333333333333 0.16666666666667 0.54160259836613 126.904 > 8 79 I 0.33333333333333 0.66666666666667 0.54160259836613 126.904 > 8 80 I 0.83333333333333 0.66666666666667 0.54160259836613 126.904 > 8 81 I 0.00000000000000 0.00000000000000 0.79175428885427 126.904 > 5 82 I 0.50000000000000 0.00000000000000 0.79175428885427 126.904 > 5 83 I 0.00000000000000 0.50000000000000 0.79175428885427 126.904 > 5 84 I 0.50000000000000 0.50000000000000 0.79175428885427 126.904 > 5 85 I 0.33333333333333 0.16666666666667 0.95831478698356 126.904 > 6 86 I 0.83333333333333 0.16666666666667 0.95831478698356 126.904 > 6 87 I 0.33333333333333 0.66666666666667 0.95831478698356 126.904 > 6 88 I 0.83333333333333 0.66666666666667 0.95831478698356 126.904 > 6 89 I 0.33333333333333 0.16666666666667 0.70846653339094 126.904 > 7 90 I 0.83333333333333 0.16666666666667 0.70846653339094 126.904 > 7 91 I 0.33333333333333 0.66666666666667 0.70846653339094 126.904 > 7 92 I 0.83333333333333 0.66666666666667 0.70846653339094 126.904 > 7 93 I 0.16666666666667 0.33333333333333 0.87493593169946 126.904 > 8 94 I 0.66666666666667 0.33333333333333 0.87493593169946 126.904 > 8 95 I 0.16666666666667 0.83333333333333 0.87493593169946 126.904 > 8 96 I 0.66666666666667 0.83333333333333 0.87493593169946 126.904 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.1158371 0.0000000 0.0000000 0.0000000 7.1158371 0.0000000 0.0000000 0.0000000 6.7160806 -------------------------- Born effective charges -------------------------- 1 Cu 1.0423795 0.0000000 0.0000000 0.0000000 1.0423795 0.0000000 0.0000000 0.0000000 0.9713089 2 Cu 1.0283254 -0.0000000 0.0000000 0.0000000 1.0283254 0.0000000 0.0000000 0.0000000 0.9963756 3 Cu 0.9971160 0.0000000 0.0000000 0.0000000 0.9971160 0.0000000 0.0000000 0.0000000 0.9732215 4 Cu 1.0699569 -0.0000000 0.0000000 0.0000000 1.0699569 0.0000000 0.0000000 0.0000000 0.9905758 5 I -1.0645259 0.0000000 0.0000000 0.0000000 -1.0645259 0.0000000 0.0000000 0.0000000 -0.9638015 6 I -1.0050916 0.0000000 0.0000000 0.0000000 -1.0050916 0.0000000 0.0000000 0.0000000 -1.0042787 7 I -1.0289920 -0.0000000 0.0000000 0.0000000 -1.0289920 0.0000000 0.0000000 0.0000000 -0.9892404 8 I -1.0391682 0.0000000 0.0000000 0.0000000 -1.0391682 0.0000000 0.0000000 0.0000000 -0.9741612 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 4704/4704 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 692 Number of blocks in projector: 784 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 31 --- Eigsh_solver_block: 1 / 31 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 2 / 31 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 31 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 4 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 13 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 14 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 15 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 16 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 17 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 18 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 19 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 20 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 21 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 22 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 23 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 24 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 25 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 26 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 27 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 28 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 29 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 30 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 31 / 31 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (692, 676), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (164, 164), data: True |-- (200, 192), data: True |-- (300, 292), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 160 - Time: 0.510 Solver_block: 160 / 160 - Time: 0.378 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.956 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 4704/4704 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 692 Number of blocks in projector: 784 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 31 --- Eigsh_solver_block: 1 / 31 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 2 / 31 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 31 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 4 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 13 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 14 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 15 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 16 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 17 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 18 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 19 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 20 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 21 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 22 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 23 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 24 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 25 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 26 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 27 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 28 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 29 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 30 / 31 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 31 / 31 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (692, 676), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (164, 164), data: True |-- (200, 192), data: True |-- (300, 292), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:18:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:18:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3m (160) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.091377779397983 1.207457523912625 13.720904016666653 b -2.091377779397979 1.207457523912625 13.720904016666653 c 0.000000000000002 -2.414915047825254 13.720904016666653 Atomic positions (fractional): 1 Cu 0.72961299608869 0.72961299608869 0.72961299608869 63.546 2 Cu 0.56258023528467 0.56258023528467 0.56258023528467 63.546 3 Cu 0.31284060863499 0.31284060863500 0.31284060863499 63.546 4 Cu 0.14602794573008 0.14602794573008 0.14602794573008 63.546 5 I 0.79175428885427 0.79175428885427 0.79175428885427 126.904 6 I 0.62498145365023 0.62498145365023 0.62498145365023 126.904 7 I 0.37513320005760 0.37513320005760 0.37513320005760 126.904 8 I 0.20826926503280 0.20826926503280 0.20826926503280 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.365511117591925 0.000000000000000 0.000000000000000 b -4.182755558795962 7.244745143475758 0.000000000000000 c 0.000000000000000 0.000000000000000 41.162712050000003 Atomic positions (fractional): 1 Cu 0.33333333333333 0.16666666666667 0.06294632942202 63.546 > 1 2 Cu 0.83333333333333 0.16666666666667 0.06294632942202 63.546 > 1 3 Cu 0.33333333333333 0.66666666666667 0.06294632942202 63.546 > 1 4 Cu 0.83333333333333 0.66666666666667 0.06294632942202 63.546 > 1 5 Cu 0.16666666666667 0.33333333333333 0.22924690195133 63.546 > 5 6 Cu 0.66666666666667 0.33333333333333 0.22924690195133 63.546 > 5 7 Cu 0.16666666666667 0.83333333333333 0.22924690195133 63.546 > 5 8 Cu 0.66666666666667 0.83333333333333 0.22924690195133 63.546 > 5 9 Cu 0.00000000000000 0.00000000000000 0.31284060863499 63.546 > 9 10 Cu 0.50000000000000 0.00000000000000 0.31284060863499 63.546 > 9 11 Cu 0.00000000000000 0.50000000000000 0.31284060863499 63.546 > 9 12 Cu 0.50000000000000 0.50000000000000 0.31284060863499 63.546 > 9 13 Cu 0.00000000000000 0.00000000000000 0.14602794573008 63.546 > 13 14 Cu 0.50000000000000 0.00000000000000 0.14602794573008 63.546 > 13 15 Cu 0.00000000000000 0.50000000000000 0.14602794573008 63.546 > 13 16 Cu 0.50000000000000 0.50000000000000 0.14602794573008 63.546 > 13 17 Cu 0.16666666666667 0.33333333333333 0.39627966275536 63.546 > 1 18 Cu 0.66666666666667 0.33333333333333 0.39627966275536 63.546 > 1 19 Cu 0.16666666666667 0.83333333333333 0.39627966275536 63.546 > 1 20 Cu 0.66666666666667 0.83333333333333 0.39627966275536 63.546 > 1 21 Cu 0.00000000000000 0.00000000000000 0.56258023528467 63.546 > 5 22 Cu 0.50000000000000 0.00000000000000 0.56258023528467 63.546 > 5 23 Cu 0.00000000000000 0.50000000000000 0.56258023528467 63.546 > 5 24 Cu 0.50000000000000 0.50000000000000 0.56258023528467 63.546 > 5 25 Cu 0.33333333333333 0.16666666666667 0.64617394196833 63.546 > 9 26 Cu 0.83333333333333 0.16666666666667 0.64617394196833 63.546 > 9 27 Cu 0.33333333333333 0.66666666666667 0.64617394196833 63.546 > 9 28 Cu 0.83333333333333 0.66666666666667 0.64617394196833 63.546 > 9 29 Cu 0.33333333333333 0.16666666666667 0.47936127906341 63.546 > 13 30 Cu 0.83333333333333 0.16666666666667 0.47936127906341 63.546 > 13 31 Cu 0.33333333333333 0.66666666666667 0.47936127906341 63.546 > 13 32 Cu 0.83333333333333 0.66666666666667 0.47936127906341 63.546 > 13 33 Cu 0.00000000000000 0.00000000000000 0.72961299608869 63.546 > 1 34 Cu 0.50000000000000 0.00000000000000 0.72961299608869 63.546 > 1 35 Cu 0.00000000000000 0.50000000000000 0.72961299608869 63.546 > 1 36 Cu 0.50000000000000 0.50000000000000 0.72961299608869 63.546 > 1 37 Cu 0.33333333333333 0.16666666666667 0.89591356861800 63.546 > 5 38 Cu 0.83333333333333 0.16666666666667 0.89591356861800 63.546 > 5 39 Cu 0.33333333333333 0.66666666666667 0.89591356861800 63.546 > 5 40 Cu 0.83333333333333 0.66666666666667 0.89591356861800 63.546 > 5 41 Cu 0.16666666666667 0.33333333333333 0.97950727530166 63.546 > 9 42 Cu 0.66666666666667 0.33333333333333 0.97950727530166 63.546 > 9 43 Cu 0.16666666666667 0.83333333333333 0.97950727530166 63.546 > 9 44 Cu 0.66666666666667 0.83333333333333 0.97950727530166 63.546 > 9 45 Cu 0.16666666666667 0.33333333333333 0.81269461239675 63.546 > 13 46 Cu 0.66666666666667 0.33333333333333 0.81269461239675 63.546 > 13 47 Cu 0.16666666666667 0.83333333333333 0.81269461239675 63.546 > 13 48 Cu 0.66666666666667 0.83333333333333 0.81269461239675 63.546 > 13 49 I 0.33333333333333 0.16666666666667 0.12508762218761 126.904 > 49 50 I 0.83333333333333 0.16666666666667 0.12508762218761 126.904 > 49 51 I 0.33333333333333 0.66666666666667 0.12508762218761 126.904 > 49 52 I 0.83333333333333 0.66666666666667 0.12508762218761 126.904 > 49 53 I 0.16666666666667 0.33333333333333 0.29164812031690 126.904 > 53 54 I 0.66666666666667 0.33333333333333 0.29164812031690 126.904 > 53 55 I 0.16666666666667 0.83333333333333 0.29164812031690 126.904 > 53 56 I 0.66666666666667 0.83333333333333 0.29164812031690 126.904 > 53 57 I 0.16666666666667 0.33333333333333 0.04179986672427 126.904 > 57 58 I 0.66666666666667 0.33333333333333 0.04179986672427 126.904 > 57 59 I 0.16666666666667 0.83333333333333 0.04179986672427 126.904 > 57 60 I 0.66666666666667 0.83333333333333 0.04179986672427 126.904 > 57 61 I 0.00000000000000 0.00000000000000 0.20826926503280 126.904 > 61 62 I 0.50000000000000 0.00000000000000 0.20826926503280 126.904 > 61 63 I 0.00000000000000 0.50000000000000 0.20826926503280 126.904 > 61 64 I 0.50000000000000 0.50000000000000 0.20826926503280 126.904 > 61 65 I 0.16666666666667 0.33333333333333 0.45842095552094 126.904 > 49 66 I 0.66666666666667 0.33333333333333 0.45842095552094 126.904 > 49 67 I 0.16666666666667 0.83333333333333 0.45842095552094 126.904 > 49 68 I 0.66666666666667 0.83333333333333 0.45842095552094 126.904 > 49 69 I 0.00000000000000 0.00000000000000 0.62498145365023 126.904 > 53 70 I 0.50000000000000 0.00000000000000 0.62498145365023 126.904 > 53 71 I 0.00000000000000 0.50000000000000 0.62498145365023 126.904 > 53 72 I 0.50000000000000 0.50000000000000 0.62498145365023 126.904 > 53 73 I 0.00000000000000 0.00000000000000 0.37513320005760 126.904 > 57 74 I 0.50000000000000 0.00000000000000 0.37513320005760 126.904 > 57 75 I 0.00000000000000 0.50000000000000 0.37513320005760 126.904 > 57 76 I 0.50000000000000 0.50000000000000 0.37513320005760 126.904 > 57 77 I 0.33333333333333 0.16666666666667 0.54160259836613 126.904 > 61 78 I 0.83333333333333 0.16666666666667 0.54160259836613 126.904 > 61 79 I 0.33333333333333 0.66666666666667 0.54160259836613 126.904 > 61 80 I 0.83333333333333 0.66666666666667 0.54160259836613 126.904 > 61 81 I 0.00000000000000 0.00000000000000 0.79175428885427 126.904 > 49 82 I 0.50000000000000 0.00000000000000 0.79175428885427 126.904 > 49 83 I 0.00000000000000 0.50000000000000 0.79175428885427 126.904 > 49 84 I 0.50000000000000 0.50000000000000 0.79175428885427 126.904 > 49 85 I 0.33333333333333 0.16666666666667 0.95831478698356 126.904 > 53 86 I 0.83333333333333 0.16666666666667 0.95831478698356 126.904 > 53 87 I 0.33333333333333 0.66666666666667 0.95831478698356 126.904 > 53 88 I 0.83333333333333 0.66666666666667 0.95831478698356 126.904 > 53 89 I 0.33333333333333 0.16666666666667 0.70846653339094 126.904 > 57 90 I 0.83333333333333 0.16666666666667 0.70846653339094 126.904 > 57 91 I 0.33333333333333 0.66666666666667 0.70846653339094 126.904 > 57 92 I 0.83333333333333 0.66666666666667 0.70846653339094 126.904 > 57 93 I 0.16666666666667 0.33333333333333 0.87493593169946 126.904 > 61 94 I 0.66666666666667 0.33333333333333 0.87493593169946 126.904 > 61 95 I 0.16666666666667 0.83333333333333 0.87493593169946 126.904 > 61 96 I 0.66666666666667 0.83333333333333 0.87493593169946 126.904 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.1158371 0.0000000 0.0000000 0.0000000 7.1158371 0.0000000 0.0000000 0.0000000 6.7160806 -------------------------- Born effective charges -------------------------- 1 Cu 1.0423795 0.0000000 0.0000000 0.0000000 1.0423795 0.0000000 0.0000000 0.0000000 0.9713089 2 Cu 1.0283254 -0.0000000 0.0000000 0.0000000 1.0283254 0.0000000 0.0000000 0.0000000 0.9963756 3 Cu 0.9971160 0.0000000 0.0000000 0.0000000 0.9971160 0.0000000 0.0000000 0.0000000 0.9732215 4 Cu 1.0699569 -0.0000000 0.0000000 0.0000000 1.0699569 0.0000000 0.0000000 0.0000000 0.9905758 5 I -1.0645259 0.0000000 0.0000000 0.0000000 -1.0645259 0.0000000 0.0000000 0.0000000 -0.9638015 6 I -1.0050916 0.0000000 0.0000000 0.0000000 -1.0050916 0.0000000 0.0000000 0.0000000 -1.0042787 7 I -1.0289920 -0.0000000 0.0000000 0.0000000 -1.0289920 0.0000000 0.0000000 0.0000000 -0.9892404 8 I -1.0391682 0.0000000 0.0000000 0.0000000 -1.0391682 0.0000000 0.0000000 0.0000000 -0.9741612 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxy) -0.00000001 (xxy) -0.00000001 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:18:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:18:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3m (160) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.091377779397983 1.207457523912625 13.720904016666653 b -2.091377779397979 1.207457523912625 13.720904016666653 c 0.000000000000002 -2.414915047825254 13.720904016666653 Atomic positions (fractional): 1 Cu 0.72961299608869 0.72961299608869 0.72961299608869 63.546 2 Cu 0.56258023528467 0.56258023528467 0.56258023528467 63.546 3 Cu 0.31284060863499 0.31284060863500 0.31284060863499 63.546 4 Cu 0.14602794573008 0.14602794573008 0.14602794573008 63.546 5 I 0.79175428885427 0.79175428885427 0.79175428885427 126.904 6 I 0.62498145365023 0.62498145365023 0.62498145365023 126.904 7 I 0.37513320005760 0.37513320005760 0.37513320005760 126.904 8 I 0.20826926503280 0.20826926503280 0.20826926503280 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.365511117591925 0.000000000000000 0.000000000000000 b -4.182755558795962 7.244745143475758 0.000000000000000 c 0.000000000000000 0.000000000000000 41.162712050000003 Atomic positions (fractional): 1 Cu 0.33333333333333 0.16666666666667 0.06294632942202 63.546 > 1 2 Cu 0.83333333333333 0.16666666666667 0.06294632942202 63.546 > 1 3 Cu 0.33333333333333 0.66666666666667 0.06294632942202 63.546 > 1 4 Cu 0.83333333333333 0.66666666666667 0.06294632942202 63.546 > 1 5 Cu 0.16666666666667 0.33333333333333 0.22924690195133 63.546 > 5 6 Cu 0.66666666666667 0.33333333333333 0.22924690195133 63.546 > 5 7 Cu 0.16666666666667 0.83333333333333 0.22924690195133 63.546 > 5 8 Cu 0.66666666666667 0.83333333333333 0.22924690195133 63.546 > 5 9 Cu 0.00000000000000 0.00000000000000 0.31284060863499 63.546 > 9 10 Cu 0.50000000000000 0.00000000000000 0.31284060863499 63.546 > 9 11 Cu 0.00000000000000 0.50000000000000 0.31284060863499 63.546 > 9 12 Cu 0.50000000000000 0.50000000000000 0.31284060863499 63.546 > 9 13 Cu 0.00000000000000 0.00000000000000 0.14602794573008 63.546 > 13 14 Cu 0.50000000000000 0.00000000000000 0.14602794573008 63.546 > 13 15 Cu 0.00000000000000 0.50000000000000 0.14602794573008 63.546 > 13 16 Cu 0.50000000000000 0.50000000000000 0.14602794573008 63.546 > 13 17 Cu 0.16666666666667 0.33333333333333 0.39627966275536 63.546 > 1 18 Cu 0.66666666666667 0.33333333333333 0.39627966275536 63.546 > 1 19 Cu 0.16666666666667 0.83333333333333 0.39627966275536 63.546 > 1 20 Cu 0.66666666666667 0.83333333333333 0.39627966275536 63.546 > 1 21 Cu 0.00000000000000 0.00000000000000 0.56258023528467 63.546 > 5 22 Cu 0.50000000000000 0.00000000000000 0.56258023528467 63.546 > 5 23 Cu 0.00000000000000 0.50000000000000 0.56258023528467 63.546 > 5 24 Cu 0.50000000000000 0.50000000000000 0.56258023528467 63.546 > 5 25 Cu 0.33333333333333 0.16666666666667 0.64617394196833 63.546 > 9 26 Cu 0.83333333333333 0.16666666666667 0.64617394196833 63.546 > 9 27 Cu 0.33333333333333 0.66666666666667 0.64617394196833 63.546 > 9 28 Cu 0.83333333333333 0.66666666666667 0.64617394196833 63.546 > 9 29 Cu 0.33333333333333 0.16666666666667 0.47936127906341 63.546 > 13 30 Cu 0.83333333333333 0.16666666666667 0.47936127906341 63.546 > 13 31 Cu 0.33333333333333 0.66666666666667 0.47936127906341 63.546 > 13 32 Cu 0.83333333333333 0.66666666666667 0.47936127906341 63.546 > 13 33 Cu 0.00000000000000 0.00000000000000 0.72961299608869 63.546 > 1 34 Cu 0.50000000000000 0.00000000000000 0.72961299608869 63.546 > 1 35 Cu 0.00000000000000 0.50000000000000 0.72961299608869 63.546 > 1 36 Cu 0.50000000000000 0.50000000000000 0.72961299608869 63.546 > 1 37 Cu 0.33333333333333 0.16666666666667 0.89591356861800 63.546 > 5 38 Cu 0.83333333333333 0.16666666666667 0.89591356861800 63.546 > 5 39 Cu 0.33333333333333 0.66666666666667 0.89591356861800 63.546 > 5 40 Cu 0.83333333333333 0.66666666666667 0.89591356861800 63.546 > 5 41 Cu 0.16666666666667 0.33333333333333 0.97950727530166 63.546 > 9 42 Cu 0.66666666666667 0.33333333333333 0.97950727530166 63.546 > 9 43 Cu 0.16666666666667 0.83333333333333 0.97950727530166 63.546 > 9 44 Cu 0.66666666666667 0.83333333333333 0.97950727530166 63.546 > 9 45 Cu 0.16666666666667 0.33333333333333 0.81269461239675 63.546 > 13 46 Cu 0.66666666666667 0.33333333333333 0.81269461239675 63.546 > 13 47 Cu 0.16666666666667 0.83333333333333 0.81269461239675 63.546 > 13 48 Cu 0.66666666666667 0.83333333333333 0.81269461239675 63.546 > 13 49 I 0.33333333333333 0.16666666666667 0.12508762218761 126.904 > 49 50 I 0.83333333333333 0.16666666666667 0.12508762218761 126.904 > 49 51 I 0.33333333333333 0.66666666666667 0.12508762218761 126.904 > 49 52 I 0.83333333333333 0.66666666666667 0.12508762218761 126.904 > 49 53 I 0.16666666666667 0.33333333333333 0.29164812031690 126.904 > 53 54 I 0.66666666666667 0.33333333333333 0.29164812031690 126.904 > 53 55 I 0.16666666666667 0.83333333333333 0.29164812031690 126.904 > 53 56 I 0.66666666666667 0.83333333333333 0.29164812031690 126.904 > 53 57 I 0.16666666666667 0.33333333333333 0.04179986672427 126.904 > 57 58 I 0.66666666666667 0.33333333333333 0.04179986672427 126.904 > 57 59 I 0.16666666666667 0.83333333333333 0.04179986672427 126.904 > 57 60 I 0.66666666666667 0.83333333333333 0.04179986672427 126.904 > 57 61 I 0.00000000000000 0.00000000000000 0.20826926503280 126.904 > 61 62 I 0.50000000000000 0.00000000000000 0.20826926503280 126.904 > 61 63 I 0.00000000000000 0.50000000000000 0.20826926503280 126.904 > 61 64 I 0.50000000000000 0.50000000000000 0.20826926503280 126.904 > 61 65 I 0.16666666666667 0.33333333333333 0.45842095552094 126.904 > 49 66 I 0.66666666666667 0.33333333333333 0.45842095552094 126.904 > 49 67 I 0.16666666666667 0.83333333333333 0.45842095552094 126.904 > 49 68 I 0.66666666666667 0.83333333333333 0.45842095552094 126.904 > 49 69 I 0.00000000000000 0.00000000000000 0.62498145365023 126.904 > 53 70 I 0.50000000000000 0.00000000000000 0.62498145365023 126.904 > 53 71 I 0.00000000000000 0.50000000000000 0.62498145365023 126.904 > 53 72 I 0.50000000000000 0.50000000000000 0.62498145365023 126.904 > 53 73 I 0.00000000000000 0.00000000000000 0.37513320005760 126.904 > 57 74 I 0.50000000000000 0.00000000000000 0.37513320005760 126.904 > 57 75 I 0.00000000000000 0.50000000000000 0.37513320005760 126.904 > 57 76 I 0.50000000000000 0.50000000000000 0.37513320005760 126.904 > 57 77 I 0.33333333333333 0.16666666666667 0.54160259836613 126.904 > 61 78 I 0.83333333333333 0.16666666666667 0.54160259836613 126.904 > 61 79 I 0.33333333333333 0.66666666666667 0.54160259836613 126.904 > 61 80 I 0.83333333333333 0.66666666666667 0.54160259836613 126.904 > 61 81 I 0.00000000000000 0.00000000000000 0.79175428885427 126.904 > 49 82 I 0.50000000000000 0.00000000000000 0.79175428885427 126.904 > 49 83 I 0.00000000000000 0.50000000000000 0.79175428885427 126.904 > 49 84 I 0.50000000000000 0.50000000000000 0.79175428885427 126.904 > 49 85 I 0.33333333333333 0.16666666666667 0.95831478698356 126.904 > 53 86 I 0.83333333333333 0.16666666666667 0.95831478698356 126.904 > 53 87 I 0.33333333333333 0.66666666666667 0.95831478698356 126.904 > 53 88 I 0.83333333333333 0.66666666666667 0.95831478698356 126.904 > 53 89 I 0.33333333333333 0.16666666666667 0.70846653339094 126.904 > 57 90 I 0.83333333333333 0.16666666666667 0.70846653339094 126.904 > 57 91 I 0.33333333333333 0.66666666666667 0.70846653339094 126.904 > 57 92 I 0.83333333333333 0.66666666666667 0.70846653339094 126.904 > 57 93 I 0.16666666666667 0.33333333333333 0.87493593169946 126.904 > 61 94 I 0.66666666666667 0.33333333333333 0.87493593169946 126.904 > 61 95 I 0.16666666666667 0.83333333333333 0.87493593169946 126.904 > 61 96 I 0.66666666666667 0.83333333333333 0.87493593169946 126.904 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.1158371 0.0000000 0.0000000 0.0000000 7.1158371 0.0000000 0.0000000 0.0000000 6.7160806 -------------------------- Born effective charges -------------------------- 1 Cu 1.0423795 0.0000000 0.0000000 0.0000000 1.0423795 0.0000000 0.0000000 0.0000000 0.9713089 2 Cu 1.0283254 -0.0000000 0.0000000 0.0000000 1.0283254 0.0000000 0.0000000 0.0000000 0.9963756 3 Cu 0.9971160 0.0000000 0.0000000 0.0000000 0.9971160 0.0000000 0.0000000 0.0000000 0.9732215 4 Cu 1.0699569 -0.0000000 0.0000000 0.0000000 1.0699569 0.0000000 0.0000000 0.0000000 0.9905758 5 I -1.0645259 0.0000000 0.0000000 0.0000000 -1.0645259 0.0000000 0.0000000 0.0000000 -0.9638015 6 I -1.0050916 0.0000000 0.0000000 0.0000000 -1.0050916 0.0000000 0.0000000 0.0000000 -1.0042787 7 I -1.0289920 -0.0000000 0.0000000 0.0000000 -1.0289920 0.0000000 0.0000000 0.0000000 -0.9892404 8 I -1.0391682 0.0000000 0.0000000 0.0000000 -1.0391682 0.0000000 0.0000000 0.0000000 -0.9741612 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxy) -0.00000001 (xxy) -0.00000001 (xyx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 14 ] 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: 0.70, Number of G-points: 289, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/288) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.878 ( 0.000 -0.000 -0.000) 0.000 0.878 ( 0.000 0.000 0.000) 0.000 0.880 ( 0.000 0.000 0.000) 0.000 0.880 ( 0.000 0.000 0.000) 0.000 1.089 ( -0.000 0.000 -0.000) 0.000 1.089 ( 0.000 -0.000 -0.000) 0.000 2.459 ( 0.000 0.000 -0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 3.471 ( 0.000 0.000 -0.000) 0.000 4.443 ( 0.000 0.000 0.000) 0.000 4.443 ( 0.000 -0.000 0.000) 0.000 4.477 ( -0.000 0.000 0.000) 0.000 4.477 ( -0.000 0.000 -0.000) 0.000 4.508 ( -0.000 -0.000 -0.000) 0.000 4.508 ( 0.000 0.000 -0.000) 0.000 4.576 ( -0.000 0.000 0.000) 0.000 4.582 ( 0.000 -0.000 0.000) 0.000 4.582 ( -0.000 0.000 -0.000) 0.000 4.664 ( -0.000 0.000 -0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 4.795 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/288) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( 10.618 6.130 5.138) 13.293 0.275 ( 11.656 6.729 5.142) 14.408 0.656 ( 28.310 16.345 -0.020) 32.690 0.868 ( 1.571 0.907 -7.476) 7.693 0.954 ( 3.947 2.279 5.845) 7.412 1.012 ( 10.346 5.973 6.885) 13.788 1.056 ( 13.104 7.566 -6.284) 16.384 1.119 ( 2.534 1.463 -0.348) 2.946 1.236 ( 11.824 6.826 0.186) 13.654 2.413 ( 0.401 0.231 -26.876) 26.880 2.508 ( 0.488 0.282 26.105) 26.111 3.462 ( -0.617 -0.356 -0.571) 0.912 4.451 ( 0.690 0.398 -0.025) 0.797 4.465 ( -1.303 -0.752 0.001) 1.504 4.485 ( 0.653 0.377 -0.006) 0.755 4.515 ( 0.651 0.376 0.067) 0.755 4.526 ( 2.106 1.216 0.142) 2.436 4.553 ( -0.035 -0.020 -0.343) 0.346 4.576 ( 0.063 0.036 -2.311) 2.312 4.589 ( 0.578 0.334 -0.031) 0.669 4.710 ( 2.429 1.403 -1.020) 2.985 4.755 ( -1.100 -0.635 -2.299) 2.626 4.781 ( -0.440 -0.254 1.043) 1.161 4.799 ( -0.354 -0.204 3.735) 3.757 ======================= Grid point 2 (3/288) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 9.826 5.673 5.125) 12.450 0.547 ( 11.387 6.574 5.136) 14.116 0.919 ( 3.898 2.251 -7.574) 8.811 1.069 ( 5.107 2.949 4.782) 7.592 1.195 ( 4.028 2.326 -0.565) 4.686 1.243 ( 16.940 9.780 2.751) 19.753 1.298 ( 14.927 8.618 3.522) 17.593 1.365 ( 16.104 9.298 -6.411) 19.669 1.561 ( 15.218 8.786 0.363) 17.577 2.424 ( 5.461 3.153 -22.409) 23.279 2.601 ( 4.566 2.636 22.057) 22.678 3.449 ( -0.154 -0.089 -1.355) 1.366 4.399 ( -3.846 -2.221 0.406) 4.460 4.474 ( 1.236 0.714 -0.032) 1.428 4.506 ( 1.191 0.688 -0.072) 1.377 4.537 ( 1.211 0.699 0.183) 1.410 4.567 ( 0.416 0.240 -2.417) 2.464 4.585 ( 2.102 1.214 -0.762) 2.544 4.597 ( 2.619 1.512 0.078) 3.025 4.608 ( 1.085 0.626 -0.069) 1.254 4.703 ( -1.377 -0.795 -4.167) 4.460 4.734 ( -1.851 -1.069 4.916) 5.361 4.788 ( -0.004 -0.002 0.011) 0.011 4.817 ( 2.485 1.435 0.372) 2.894 ======================= Grid point 3 (4/288) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 8.573 4.949 5.090) 11.131 0.810 ( 10.850 6.264 5.040) 13.504 1.008 ( 4.764 2.750 -7.265) 9.113 1.195 ( 5.089 2.938 3.809) 7.002 1.290 ( 4.258 2.458 -0.649) 4.959 1.446 ( 4.129 2.384 7.869) 9.200 1.474 ( 3.068 1.772 -10.535) 11.114 1.853 ( 15.798 9.121 0.238) 18.244 1.907 ( 19.517 11.268 0.134) 22.536 2.609 ( 13.076 7.550 -14.067) 20.636 2.807 ( 10.497 6.060 16.045) 20.109 3.467 ( 2.389 1.379 -2.468) 3.701 4.306 ( -4.365 -2.520 0.983) 5.135 4.506 ( 1.536 0.887 -0.012) 1.773 4.537 ( 1.480 0.855 -0.196) 1.720 4.565 ( 0.039 0.023 -2.669) 2.669 4.570 ( 1.589 0.917 0.335) 1.865 4.603 ( -0.825 -0.476 -3.721) 3.841 4.637 ( 1.435 0.829 -0.116) 1.661 4.645 ( 0.547 0.316 2.173) 2.263 4.688 ( 0.529 0.305 1.728) 1.833 4.704 ( -0.124 -0.071 0.593) 0.610 4.780 ( -0.484 -0.279 -0.634) 0.844 4.879 ( 2.511 1.450 -0.092) 2.901 ======================= Grid point 4 (5/288) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 6.950 4.013 5.041) 9.477 1.054 ( 9.668 5.582 4.853) 12.173 1.101 ( 4.322 2.495 -6.760) 8.403 1.308 ( 4.285 2.474 2.959) 5.765 1.380 ( 3.579 2.066 -0.676) 4.188 1.452 ( -1.277 -0.737 -14.508) 14.583 1.514 ( 0.208 0.120 10.328) 10.330 2.054 ( 4.439 2.563 0.620) 5.163 2.395 ( 20.278 11.708 0.167) 23.416 2.920 ( 14.757 8.520 -8.501) 19.043 3.109 ( 13.206 7.625 11.414) 19.048 3.560 ( 6.211 3.586 -3.965) 8.195 4.207 ( -4.390 -2.535 2.024) 5.459 4.541 ( 1.541 0.890 0.026) 1.779 4.542 ( -2.027 -1.170 -5.285) 5.780 4.570 ( 1.448 0.836 -0.285) 1.697 4.573 ( -0.622 -0.359 -0.043) 0.720 4.608 ( 1.679 0.969 0.421) 1.984 4.622 ( -1.898 -1.096 3.274) 3.940 4.671 ( 1.533 0.885 -0.153) 1.777 4.709 ( 0.607 0.350 -0.012) 0.701 4.730 ( 1.118 0.646 0.171) 1.302 4.771 ( 0.160 0.092 -0.809) 0.829 4.924 ( 1.443 0.833 -0.277) 1.689 ======================= Grid point 5 (6/288) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 5.058 2.920 4.993) 7.684 1.175 ( 3.012 1.739 -6.178) 7.090 1.243 ( 5.104 2.947 2.785) 6.519 1.397 ( 3.054 1.763 2.187) 4.150 1.400 ( -0.367 -0.212 -9.512) 9.522 1.448 ( 2.438 1.408 -0.686) 2.898 1.532 ( 1.016 0.587 6.922) 7.020 2.079 ( -1.923 -1.110 0.341) 2.246 2.811 ( 16.029 9.254 0.562) 18.517 3.213 ( 11.497 6.638 -5.754) 14.469 3.419 ( 11.891 6.865 8.928) 16.378 3.712 ( 7.012 4.048 -6.337) 10.282 4.125 ( -2.725 -1.573 4.260) 5.296 4.472 ( -3.142 -1.814 -5.678) 6.738 4.560 ( -0.952 -0.550 3.135) 3.322 4.574 ( 1.247 0.720 0.055) 1.441 4.584 ( -1.842 -1.063 0.655) 2.225 4.600 ( 1.135 0.655 -0.272) 1.338 4.645 ( 1.400 0.808 0.372) 1.659 4.704 ( 1.303 0.752 -0.150) 1.512 4.707 ( -0.544 -0.314 0.276) 0.686 4.739 ( 0.052 0.030 -1.820) 1.821 4.793 ( 1.512 0.873 0.582) 1.840 4.942 ( 0.134 0.077 -0.441) 0.468 ======================= Grid point 6 (7/288) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 2.961 1.710 4.818) 5.908 1.213 ( 1.231 0.711 -5.424) 5.607 1.270 ( -0.743 -0.429 -3.697) 3.795 1.409 ( 0.263 0.152 2.070) 2.092 1.453 ( 1.612 0.931 1.327) 2.286 1.488 ( 1.171 0.676 -0.576) 1.470 1.625 ( 6.121 3.534 1.865) 7.310 1.992 ( -5.158 -2.978 -0.138) 5.957 3.119 ( 10.556 6.094 0.986) 12.229 3.400 ( 5.172 2.986 -3.653) 7.001 3.657 ( 7.146 4.126 7.292) 11.012 3.805 ( 1.884 1.088 -7.727) 8.028 4.138 ( 3.392 1.959 6.074) 7.227 4.379 ( -4.197 -2.423 -5.484) 7.319 4.526 ( -2.406 -1.389 1.423) 3.122 4.557 ( -0.377 -0.217 1.286) 1.358 4.596 ( 0.698 0.403 0.048) 0.808 4.620 ( 0.620 0.358 -0.166) 0.735 4.671 ( 0.793 0.458 0.213) 0.940 4.694 ( -0.611 -0.353 0.018) 0.706 4.727 ( 0.751 0.434 -0.092) 0.872 4.734 ( -0.116 -0.067 -1.253) 1.260 4.833 ( 1.747 1.009 0.600) 2.105 4.930 ( -0.944 -0.545 -0.512) 1.204 ======================= Grid point 7 (8/288) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 0.000 0.000 0.000) 0.000 1.217 ( 0.000 0.000 -0.000) 0.000 1.254 ( 0.000 0.000 0.000) 0.000 1.411 ( 0.000 0.000 0.000) 0.000 1.473 ( 0.000 0.000 0.000) 0.000 1.500 ( 0.000 0.000 0.000) 0.000 1.735 ( 0.000 0.000 0.000) 0.000 1.898 ( 0.000 0.000 -0.000) 0.000 3.256 ( 0.000 0.000 -0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.743 ( 0.000 0.000 -0.000) 0.000 3.816 ( 0.000 0.000 0.000) 0.000 4.251 ( -0.000 -0.000 -0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 4.493 ( 0.000 0.000 -0.000) 0.000 4.556 ( 0.000 0.000 -0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 -0.000) 0.000 4.680 ( 0.000 0.000 0.000) 0.000 4.685 ( 0.000 0.000 0.000) 0.000 4.732 ( 0.000 0.000 -0.000) 0.000 4.736 ( 0.000 0.000 -0.000) 0.000 4.861 ( 0.000 0.000 0.000) 0.000 4.911 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 16 (9/288) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.241 ( -0.000 12.017 -0.068) 12.017 0.270 ( -0.000 12.795 3.801) 13.348 0.679 ( -0.000 32.358 8.114) 33.360 0.905 ( -0.000 1.889 6.736) 6.996 0.922 ( 0.000 4.771 -6.403) 7.985 0.975 ( 0.000 11.817 -7.464) 13.977 1.087 ( -0.000 15.094 5.609) 16.103 1.120 ( -0.000 2.980 0.086) 2.982 1.235 ( -0.000 13.583 -0.472) 13.591 2.370 ( 0.000 1.181 -27.114) 27.139 2.550 ( -0.000 -0.082 25.728) 25.728 3.461 ( 0.000 -0.712 -1.129) 1.335 4.451 ( -0.000 0.802 0.009) 0.802 4.466 ( 0.000 -1.475 0.089) 1.478 4.485 ( -0.000 0.756 -0.021) 0.756 4.515 ( -0.000 0.743 0.067) 0.746 4.523 ( 0.000 2.231 -0.881) 2.398 4.555 ( -0.000 0.194 0.160) 0.252 4.570 ( 0.000 0.333 -4.008) 4.021 4.589 ( -0.000 0.674 0.009) 0.675 4.706 ( 0.000 2.267 -2.450) 3.338 4.752 ( 0.000 -0.278 -2.340) 2.357 4.783 ( -0.000 -0.614 1.628) 1.740 4.807 ( -0.000 -1.012 5.521) 5.613 ======================= Grid point 17 (10/288) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 6.713 9.724 5.393) 12.989 0.509 ( 9.068 11.795 1.045) 14.915 0.937 ( -0.685 8.026 -5.905) 9.988 0.999 ( 6.290 4.690 4.942) 9.273 1.120 ( 9.152 15.943 2.598) 18.566 1.176 ( 10.269 13.399 -0.907) 16.906 1.223 ( 7.234 9.503 -3.877) 12.557 1.281 ( 3.348 13.958 5.600) 15.408 1.451 ( 8.321 13.937 -0.242) 16.234 2.361 ( 1.941 4.668 -24.296) 24.817 2.610 ( 1.754 1.779 23.118) 23.252 3.448 ( -0.293 -0.459 -1.864) 1.942 4.421 ( -2.068 -3.516 0.629) 4.128 4.470 ( 0.742 1.323 -0.005) 1.517 4.501 ( 0.704 1.220 -0.034) 1.409 4.530 ( 0.713 1.190 0.074) 1.389 4.554 ( 0.871 0.969 -3.402) 3.643 4.572 ( 0.838 1.780 -1.248) 2.330 4.579 ( 1.072 1.917 -0.155) 2.202 4.604 ( 0.666 1.203 -0.100) 1.379 4.703 ( -0.446 -1.022 -3.990) 4.143 4.753 ( -0.713 -1.104 3.981) 4.192 4.786 ( 0.277 0.720 0.179) 0.792 4.806 ( 0.448 0.720 1.685) 1.887 ======================= Grid point 18 (11/288) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 7.753 8.223 4.905) 12.320 0.772 ( 7.269 12.391 2.916) 14.659 1.012 ( 0.799 9.089 -6.533) 11.222 1.164 ( 5.950 5.440 3.851) 8.934 1.264 ( 3.970 5.171 -0.489) 6.537 1.399 ( 5.332 3.611 -10.367) 12.204 1.456 ( 2.172 8.097 8.509) 11.945 1.671 ( 18.139 19.825 2.644) 27.001 1.746 ( 11.884 9.378 0.104) 15.139 2.480 ( 8.353 9.645 -17.256) 21.460 2.748 ( 6.440 5.450 18.038) 19.913 3.447 ( 0.825 0.923 -2.854) 3.111 4.339 ( -3.179 -3.978 1.387) 5.278 4.502 ( 0.943 2.072 -0.056) 2.277 4.531 ( 0.979 1.793 -0.185) 2.051 4.557 ( 0.393 0.228 -3.866) 3.892 4.562 ( 1.007 1.650 0.070) 1.934 4.596 ( 0.205 -0.200 -3.143) 3.156 4.623 ( 1.489 1.167 0.164) 1.899 4.635 ( 1.377 1.685 0.043) 2.176 4.689 ( 0.163 0.663 0.668) 0.955 4.720 ( -1.603 -1.652 3.263) 3.994 4.778 ( -0.393 -0.880 -0.243) 0.994 4.854 ( 2.130 2.086 -0.229) 2.990 ======================= Grid point 19 (12/288) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 6.788 7.502 4.218) 10.961 1.009 ( 5.871 11.493 3.059) 13.264 1.109 ( 0.940 9.095 -5.596) 10.720 1.312 ( 3.218 7.352 2.062) 8.287 1.377 ( 2.724 5.982 -0.724) 6.613 1.441 ( 0.049 1.626 -12.403) 12.509 1.535 ( -0.282 1.980 10.769) 10.953 1.972 ( 7.931 3.403 0.171) 8.632 2.181 ( 19.124 14.875 1.903) 24.303 2.752 ( 13.227 10.644 -10.629) 20.031 2.994 ( 11.006 7.590 12.817) 18.520 3.499 ( 3.870 3.197 -4.085) 6.472 4.243 ( -3.528 -4.277 2.348) 6.021 4.535 ( 0.133 0.441 -2.274) 2.321 4.545 ( -0.322 0.222 -2.433) 2.465 4.568 ( 0.593 2.073 -0.295) 2.176 4.572 ( -0.134 -0.387 -2.179) 2.217 4.603 ( 1.098 1.919 0.156) 2.216 4.643 ( -0.715 -0.951 3.254) 3.465 4.667 ( 0.950 1.940 0.043) 2.161 4.700 ( 0.643 0.517 -0.419) 0.925 4.720 ( 0.883 1.074 1.885) 2.342 4.762 ( 0.066 -1.015 -0.913) 1.367 4.904 ( 1.780 1.096 -0.451) 2.139 ======================= Grid point 20 (13/288) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 4.468 7.079 3.686) 9.146 1.168 ( 1.306 6.038 -5.813) 8.482 1.228 ( 3.423 9.550 3.179) 10.631 1.400 ( -0.151 4.048 -7.314) 8.361 1.441 ( -1.169 7.045 -1.658) 7.331 1.475 ( 0.465 7.139 0.473) 7.169 1.547 ( -0.598 0.509 8.774) 8.810 2.065 ( 2.064 -1.449 -0.096) 2.523 2.624 ( 17.119 10.960 1.729) 20.400 3.062 ( 12.993 8.336 -7.104) 16.993 3.291 ( 12.365 6.894 9.552) 17.078 3.623 ( 6.611 4.370 -5.753) 9.793 4.149 ( -2.837 -4.334 3.964) 6.523 4.478 ( -2.011 -3.268 -5.524) 6.726 4.551 ( -0.439 -1.171 1.015) 1.611 4.568 ( -0.452 -1.094 0.361) 1.238 4.597 ( 0.426 2.151 0.237) 2.206 4.622 ( -0.265 1.630 0.920) 1.890 4.650 ( 0.335 2.734 0.602) 2.820 4.703 ( 0.486 1.656 -0.408) 1.774 4.712 ( 0.206 0.693 -0.044) 0.724 4.734 ( 0.370 0.173 -1.001) 1.081 4.776 ( 1.496 0.569 0.894) 1.833 4.932 ( 0.882 0.076 -0.604) 1.072 ======================= Grid point 21 (14/288) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 1.318 3.981 0.893) 4.288 1.212 ( 0.496 3.856 -3.233) 5.056 1.336 ( -1.834 8.003 -1.369) 8.324 1.435 ( -0.962 4.788 0.682) 4.931 1.478 ( -0.027 4.337 3.203) 5.391 1.533 ( -1.808 6.951 -0.561) 7.204 1.602 ( 2.074 6.153 2.077) 6.818 2.031 ( -2.704 -3.292 -0.559) 4.297 2.981 ( 13.421 7.596 1.879) 15.535 3.309 ( 8.848 4.883 -4.920) 11.240 3.561 ( 10.201 4.432 7.803) 13.586 3.750 ( 4.415 1.921 -7.871) 9.227 4.103 ( 1.471 -2.357 6.245) 6.835 4.392 ( -2.622 -4.204 -5.697) 7.550 4.517 ( -0.847 -4.332 1.892) 4.803 4.530 ( -0.555 -3.223 0.527) 3.312 4.628 ( -0.020 2.893 0.387) 2.919 4.643 ( -0.534 3.048 -0.026) 3.095 4.680 ( -0.059 2.328 0.103) 2.331 4.701 ( -0.374 0.050 -0.219) 0.436 4.739 ( -0.253 2.182 -0.152) 2.202 4.742 ( 0.043 1.548 -0.634) 1.673 4.814 ( 1.765 0.971 0.816) 2.173 4.933 ( -0.209 -0.659 -0.691) 0.978 ======================= Grid point 22 (15/288) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 0.448 -0.085 -0.815) 0.934 1.256 ( -1.153 4.614 0.697) 4.807 1.358 ( -4.444 9.063 -1.778) 10.250 1.434 ( -2.058 1.937 3.429) 4.443 1.536 ( -1.678 6.319 1.373) 6.681 1.553 ( -2.968 5.964 -0.894) 6.721 1.717 ( 3.323 5.053 -0.053) 6.047 1.932 ( -4.325 -2.055 -0.830) 4.860 3.219 ( 6.390 3.595 1.655) 7.516 3.426 ( 2.349 0.848 -2.186) 3.319 3.716 ( 3.096 -0.439 2.789) 4.190 3.787 ( 2.517 -0.392 -3.004) 3.938 4.183 ( 6.412 0.638 5.376) 8.392 4.286 ( -3.481 -4.997 -5.294) 8.069 4.457 ( 0.112 -4.837 0.096) 4.839 4.502 ( 1.396 -4.260 0.735) 4.543 4.649 ( -0.943 2.760 0.289) 2.931 4.658 ( -1.002 2.696 -0.070) 2.877 4.688 ( -0.827 1.174 -0.281) 1.464 4.701 ( -0.535 1.459 0.080) 1.556 4.744 ( -0.757 1.556 0.067) 1.732 4.759 ( -0.806 2.352 0.258) 2.499 4.853 ( 1.312 0.841 0.374) 1.603 4.914 ( -0.736 -0.735 -0.559) 1.181 ======================= Grid point 23 (16/288) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -0.279 0.466 1.528) 1.622 1.255 ( -3.100 2.921 0.555) 4.296 1.360 ( -4.552 7.255 -1.414) 8.680 1.431 ( -1.840 3.212 2.480) 4.456 1.527 ( -4.714 4.098 -1.890) 6.526 1.559 ( -3.792 5.892 1.231) 7.114 1.715 ( -6.257 -0.137 -1.089) 6.352 1.933 ( 4.076 2.698 -0.478) 4.911 3.214 ( -6.611 -3.976 -0.251) 7.718 3.438 ( -1.120 -1.085 2.433) 2.889 3.692 ( -2.852 -3.677 -5.749) 7.396 3.813 ( 0.928 -1.539 5.938) 6.204 4.155 ( -4.101 -5.369 -5.474) 8.695 4.312 ( 6.245 0.556 4.952) 7.989 4.455 ( 3.929 -2.618 -0.740) 4.778 4.498 ( 2.711 -3.467 -0.778) 4.470 4.648 ( -2.001 2.141 -0.213) 2.939 4.659 ( -1.870 2.341 0.191) 3.002 4.688 ( -0.509 1.121 -0.325) 1.273 4.702 ( -1.046 1.333 0.233) 1.710 4.745 ( -0.838 1.328 0.469) 1.639 4.760 ( -1.605 1.893 0.624) 2.559 4.851 ( -1.504 -0.721 -0.359) 1.706 4.916 ( 1.137 0.324 0.199) 1.199 ======================= Grid point 24 (17/288) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -6.032 1.985 -2.002) 6.658 1.236 ( -1.975 1.275 5.760) 6.221 1.330 ( -5.916 3.962 -3.402) 7.891 1.439 ( -1.241 2.632 0.446) 2.944 1.468 ( -4.767 2.801 0.688) 5.572 1.536 ( -5.426 4.983 0.649) 7.395 1.593 ( -7.479 1.916 -1.124) 7.802 2.030 ( 4.229 0.694 -0.775) 4.355 2.976 ( -13.295 -7.939 -0.063) 15.485 3.335 ( -8.217 -4.868 4.850) 10.712 3.519 ( -9.307 -6.703 -8.130) 14.059 3.790 ( -4.274 -3.081 7.476) 9.146 4.072 ( 1.817 -2.342 -5.582) 6.321 4.421 ( 5.036 0.173 5.360) 7.356 4.503 ( 3.641 -1.521 -3.394) 5.205 4.530 ( 3.448 -1.083 0.151) 3.617 4.626 ( -2.534 1.562 -0.226) 2.985 4.643 ( -2.436 1.940 0.099) 3.116 4.679 ( -1.991 1.196 -0.266) 2.338 4.701 ( 0.060 0.420 -0.376) 0.567 4.738 ( -1.864 1.075 -0.110) 2.154 4.750 ( -0.984 0.734 1.981) 2.330 4.811 ( -1.829 -1.003 -0.366) 2.118 4.936 ( 0.697 -0.136 0.277) 0.762 ======================= Grid point 25 (18/288) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -8.887 0.251 -2.897) 9.350 1.187 ( -9.240 1.145 -0.846) 9.349 1.220 ( -6.882 2.843 2.270) 7.784 1.408 ( -5.488 3.183 -2.624) 6.865 1.462 ( -3.005 1.018 -1.540) 3.526 1.481 ( -3.043 3.183 7.548) 8.738 1.516 ( -3.424 2.297 -1.785) 4.494 2.063 ( 0.223 -2.433 -0.905) 2.605 2.620 ( -18.077 -9.570 0.408) 20.458 3.099 ( -13.164 -6.638 7.153) 16.387 3.240 ( -12.724 -7.431 -9.924) 17.765 3.649 ( -7.480 -3.828 3.963) 9.291 4.133 ( 5.614 0.415 -2.212) 6.048 4.507 ( 3.798 0.074 5.450) 6.643 4.541 ( 2.353 -0.190 -3.087) 3.886 4.566 ( 0.859 -0.057 -0.331) 0.922 4.596 ( -1.970 0.734 0.001) 2.102 4.619 ( -1.896 1.132 -0.472) 2.258 4.648 ( -2.707 0.973 -0.472) 2.915 4.705 ( -1.682 0.522 0.040) 1.762 4.709 ( -0.450 -0.014 -0.818) 0.934 4.742 ( -0.834 -0.340 1.727) 1.948 4.774 ( -1.010 -0.998 0.169) 1.430 4.934 ( -0.516 -0.703 0.172) 0.889 ======================= Grid point 26 (19/288) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -10.328 -1.693 -2.731) 10.816 0.989 ( -13.307 1.418 -4.294) 14.054 1.140 ( -7.896 3.462 6.170) 10.601 1.299 ( -8.553 1.128 -2.843) 9.083 1.375 ( -6.046 0.327 -1.482) 6.233 1.480 ( -2.083 1.874 -8.496) 8.946 1.511 ( -0.848 -0.594 12.504) 12.547 1.970 ( -6.905 -5.026 -0.699) 8.569 2.178 ( -22.497 -9.549 0.672) 24.449 2.809 ( -14.709 -5.453 11.055) 19.191 2.926 ( -13.174 -6.049 -13.113) 19.547 3.515 ( -4.840 -1.912 2.019) 5.582 4.235 ( 5.627 0.905 -0.793) 5.754 4.539 ( -2.327 0.585 0.185) 2.407 4.560 ( 0.257 -0.054 1.509) 1.532 4.570 ( -1.026 0.465 0.110) 1.132 4.583 ( 1.316 0.072 2.471) 2.800 4.603 ( -1.712 0.114 0.200) 1.727 4.625 ( 0.997 0.281 -3.378) 3.533 4.667 ( -2.273 0.048 0.047) 2.274 4.698 ( -1.099 -0.299 -0.992) 1.510 4.718 ( -1.483 -0.504 0.791) 1.754 4.767 ( 0.828 -0.612 0.737) 1.266 4.905 ( -1.865 -0.955 0.051) 2.096 ======================= Grid point 27 (20/288) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -11.473 -2.202 -2.118) 11.873 0.757 ( -14.655 1.282 -2.991) 15.012 1.046 ( -7.953 3.353 6.284) 10.676 1.142 ( -7.963 -2.647 -4.259) 9.411 1.264 ( -6.393 -0.626 -0.661) 6.458 1.410 ( -7.514 2.621 -8.369) 11.548 1.453 ( -6.736 -3.665 9.509) 12.215 1.666 ( -26.255 -6.685 0.783) 27.104 1.745 ( -14.030 -5.412 -0.318) 15.041 2.572 ( -10.579 -1.763 17.836) 20.813 2.653 ( -9.521 -3.167 -18.397) 20.956 3.457 ( -1.278 -0.334 0.805) 1.547 4.335 ( 5.122 0.720 -0.238) 5.178 4.502 ( -2.281 0.217 0.040) 2.292 4.531 ( -2.095 0.038 0.067) 2.097 4.561 ( -1.972 -0.072 -0.166) 1.980 4.572 ( -0.072 -0.012 0.981) 0.984 4.608 ( -0.929 -0.499 1.473) 1.811 4.621 ( -1.343 -0.660 -0.657) 1.634 4.634 ( -1.811 -0.091 -0.228) 1.828 4.691 ( 1.027 0.389 0.929) 1.439 4.705 ( 0.885 0.209 -1.681) 1.911 4.779 ( 0.806 -0.253 0.224) 0.874 4.855 ( -2.935 -0.753 -0.035) 3.030 ======================= Grid point 28 (21/288) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -12.233 0.000 0.000) 12.233 0.506 ( -14.987 0.000 0.000) 14.987 0.958 ( -7.319 0.000 0.000) 7.319 0.980 ( -6.406 0.000 0.000) 6.406 1.111 ( -21.549 0.000 0.000) 21.549 1.179 ( -13.580 0.000 0.000) 13.580 1.244 ( -13.606 0.000 0.000) 13.606 1.257 ( -12.495 0.000 0.000) 12.495 1.451 ( -16.233 0.000 0.000) 16.233 2.486 ( -3.625 0.000 0.000) 3.625 2.489 ( -3.578 0.000 0.000) 3.578 3.453 ( 0.518 -0.000 -0.000) 0.518 4.420 ( 4.164 -0.000 -0.000) 4.164 4.470 ( -1.518 0.000 0.000) 1.518 4.501 ( -1.413 0.000 0.000) 1.413 4.530 ( -1.386 0.000 0.000) 1.386 4.562 ( -2.081 0.000 0.000) 2.081 4.576 ( -2.490 0.000 0.000) 2.490 4.580 ( -0.754 0.000 0.000) 0.754 4.604 ( -1.411 0.000 0.000) 1.411 4.726 ( 0.926 -0.000 -0.000) 0.926 4.730 ( 2.211 -0.000 -0.000) 2.211 4.785 ( -0.479 0.000 0.000) 0.479 4.802 ( -1.875 0.000 0.000) 1.875 ======================= Grid point 31 (22/288) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( -0.000 11.101 -0.059) 11.102 0.527 ( -0.000 12.135 2.554) 12.401 0.993 ( -0.000 4.434 6.429) 7.810 1.013 ( 0.000 6.367 -5.860) 8.653 1.180 ( 0.000 10.354 -8.597) 13.458 1.198 ( -0.000 4.688 0.060) 4.688 1.315 ( -0.000 26.858 6.561) 27.648 1.439 ( -0.000 18.372 6.889) 19.621 1.554 ( -0.000 17.406 -0.988) 17.434 2.366 ( 0.000 8.397 -22.727) 24.229 2.656 ( -0.000 3.106 21.642) 21.864 3.443 ( 0.000 -0.114 -2.476) 2.479 4.403 ( -0.000 -4.249 1.183) 4.411 4.474 ( -0.000 1.433 0.025) 1.433 4.506 ( -0.000 1.404 -0.051) 1.405 4.537 ( -0.000 1.354 0.129) 1.360 4.548 ( 0.000 0.570 -4.936) 4.969 4.585 ( 0.000 2.550 -1.052) 2.758 4.594 ( 0.000 2.180 -0.788) 2.318 4.608 ( -0.000 1.270 0.014) 1.270 4.691 ( 0.000 -0.622 -1.907) 2.006 4.751 ( -0.000 -1.906 3.459) 3.949 4.793 ( -0.000 0.148 0.845) 0.858 4.816 ( -0.000 2.248 0.401) 2.284 ======================= Grid point 32 (23/288) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 5.165 10.118 4.393) 12.180 0.730 ( 9.719 10.766 -1.610) 14.593 1.089 ( 1.486 8.770 -4.291) 9.875 1.111 ( 6.105 5.482 4.430) 9.324 1.237 ( 2.759 4.746 -5.220) 7.575 1.333 ( 5.771 4.861 -5.305) 9.223 1.544 ( 0.823 10.311 7.822) 12.968 1.705 ( 5.472 24.041 5.641) 25.293 1.741 ( 2.729 16.352 0.047) 16.578 2.462 ( 3.319 13.055 -18.108) 22.569 2.759 ( 2.821 6.484 17.803) 19.156 3.444 ( 0.240 1.397 -3.235) 3.532 4.344 ( -1.977 -4.559 2.017) 5.363 4.502 ( 1.304 1.881 0.010) 2.289 4.531 ( 0.943 1.675 -0.369) 1.957 4.545 ( 0.332 0.273 -4.299) 4.320 4.562 ( 1.037 1.746 -0.040) 2.031 4.590 ( -0.383 -0.290 -3.963) 3.992 4.619 ( 0.467 1.873 -0.064) 1.932 4.632 ( 0.988 1.776 -0.063) 2.033 4.696 ( 0.333 1.246 1.885) 2.284 4.728 ( -0.912 -1.967 2.929) 3.644 4.783 ( -0.877 -0.698 0.301) 1.161 4.852 ( 0.886 2.745 -0.582) 2.942 ======================= Grid point 33 (24/288) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 5.742 8.768 3.922) 11.190 1.012 ( 9.579 11.115 -0.961) 14.705 1.194 ( 0.037 9.825 -5.293) 11.160 1.294 ( 6.837 6.058 2.171) 9.389 1.341 ( 5.888 3.020 -5.507) 8.609 1.454 ( 3.170 6.266 -2.842) 7.576 1.614 ( -2.174 4.561 9.626) 10.871 1.899 ( 4.465 6.191 -1.055) 7.706 2.099 ( 10.499 21.053 5.061) 24.064 2.669 ( 7.808 14.067 -12.767) 20.539 2.944 ( 6.621 8.762 13.214) 17.182 3.478 ( 1.766 3.771 -4.144) 5.875 4.258 ( -3.029 -4.963 2.997) 6.541 4.525 ( -0.616 -1.722 -4.559) 4.912 4.551 ( 1.389 2.048 -0.448) 2.515 4.566 ( 0.015 0.369 -2.853) 2.877 4.580 ( 1.277 2.467 -0.311) 2.795 4.604 ( 0.738 1.804 0.168) 1.956 4.638 ( 0.695 -0.210 1.545) 1.707 4.670 ( 1.071 1.946 0.408) 2.258 4.698 ( -0.202 -0.516 0.483) 0.735 4.730 ( 0.352 1.755 2.402) 2.996 4.757 ( -0.973 -0.843 -0.236) 1.309 4.890 ( 1.118 1.605 -0.814) 2.118 ======================= Grid point 34 (25/288) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 5.722 7.298 2.640) 9.642 1.211 ( 0.472 6.085 -6.579) 8.974 1.287 ( 4.063 10.158 -0.025) 10.941 1.435 ( 2.430 8.436 -5.420) 10.317 1.487 ( 4.822 4.467 4.209) 7.805 1.552 ( -0.596 8.513 2.309) 8.841 1.624 ( -2.350 5.660 4.796) 7.782 1.994 ( 3.735 -0.979 -0.976) 3.983 2.487 ( 12.914 14.916 3.908) 20.113 2.937 ( 10.429 11.249 -8.986) 17.778 3.188 ( 9.507 8.003 9.828) 15.843 3.567 ( 4.131 5.309 -5.353) 8.597 4.158 ( -3.176 -5.475 4.348) 7.679 4.466 ( -1.783 -3.650 -5.417) 6.771 4.554 ( -0.614 -0.777 -0.770) 1.255 4.572 ( -1.698 -1.927 1.472) 2.960 4.615 ( 0.654 2.618 0.451) 2.736 4.632 ( 1.421 2.540 -0.089) 2.912 4.673 ( 0.821 2.648 1.156) 3.004 4.700 ( 1.041 0.425 -1.223) 1.661 4.716 ( 0.818 1.693 0.349) 1.912 4.733 ( 0.167 0.874 -1.340) 1.608 4.766 ( 0.661 1.302 2.396) 2.806 4.915 ( 0.909 0.266 -0.912) 1.315 ======================= Grid point 35 (26/288) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 2.293 4.545 -0.937) 5.176 1.228 ( 0.934 3.002 -3.048) 4.379 1.454 ( 0.899 11.917 -0.350) 11.956 1.513 ( -1.577 -0.340 9.022) 9.165 1.546 ( -0.846 10.367 -1.550) 10.517 1.652 ( -0.756 10.516 0.133) 10.544 1.684 ( -1.102 10.562 -0.722) 10.644 2.009 ( 1.190 -3.484 -0.947) 3.801 2.839 ( 12.904 10.116 3.313) 16.728 3.193 ( 9.850 7.372 -6.509) 13.919 3.442 ( 10.168 5.342 7.803) 13.886 3.684 ( 4.430 3.801 -7.222) 9.286 4.072 ( -1.021 -4.992 6.438) 8.210 4.379 ( -2.390 -4.723 -5.786) 7.842 4.501 ( -2.014 -4.463 1.830) 5.227 4.519 ( -1.818 -3.558 0.533) 4.031 4.647 ( 0.443 1.964 -0.263) 2.031 4.677 ( 0.270 2.924 -0.346) 2.956 4.703 ( 0.396 1.464 0.091) 1.520 4.714 ( -0.256 2.496 -0.197) 2.517 4.752 ( 0.870 2.163 0.646) 2.419 4.768 ( 0.573 3.109 -0.438) 3.191 4.797 ( 1.324 1.334 1.098) 2.177 4.923 ( 0.414 -0.666 -0.892) 1.188 ======================= Grid point 36 (27/288) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -0.672 1.461 -1.974) 2.546 1.301 ( 0.957 3.317 2.259) 4.126 1.499 ( -0.742 0.825 5.225) 5.341 1.538 ( -3.935 11.161 -2.237) 12.044 1.630 ( -1.638 9.038 1.560) 9.317 1.700 ( -4.130 9.690 -1.334) 10.618 1.775 ( -0.975 9.876 -0.733) 9.951 1.977 ( -2.067 -0.466 -0.813) 2.270 3.128 ( 10.022 6.560 2.982) 12.343 3.373 ( 5.379 3.329 -4.166) 7.575 3.642 ( 6.608 1.094 5.739) 8.820 3.731 ( 1.650 -1.017 -6.187) 6.483 4.086 ( 5.205 -1.266 6.204) 8.197 4.275 ( -2.686 -5.409 -5.644) 8.266 4.417 ( -1.733 -5.993 0.498) 6.258 4.450 ( -0.719 -5.087 1.008) 5.236 4.669 ( 0.253 1.100 -0.099) 1.133 4.692 ( -0.349 1.371 -0.173) 1.425 4.729 ( -0.538 2.961 0.949) 3.156 4.732 ( -0.815 3.038 -0.506) 3.185 4.779 ( -0.499 2.266 0.450) 2.363 4.797 ( -0.361 2.737 0.229) 2.770 4.841 ( 1.485 1.772 0.123) 2.315 4.915 ( -0.275 -0.716 -0.718) 1.051 ======================= Grid point 37 (28/288) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.123 1.683 2.395) 2.930 1.316 ( -1.325 0.862 1.711) 2.329 1.491 ( -4.024 3.465 -3.003) 6.100 1.570 ( -3.668 9.148 3.089) 10.329 1.649 ( -3.984 5.011 -2.088) 6.733 1.720 ( -5.038 9.999 1.554) 11.304 1.822 ( -3.498 6.507 -0.970) 7.451 1.947 ( -2.474 4.146 -0.842) 4.901 3.265 ( -1.286 0.281 0.915) 1.603 3.432 ( 1.484 0.569 0.590) 1.696 3.667 ( 0.469 -3.444 -3.008) 4.597 3.769 ( 2.670 -2.152 2.755) 4.399 4.156 ( -3.382 -5.767 -4.341) 7.971 4.207 ( 6.717 0.033 4.093) 7.866 4.361 ( 2.445 -4.523 -0.268) 5.149 4.413 ( 2.162 -4.560 -0.279) 5.055 4.676 ( -0.264 0.606 0.184) 0.686 4.696 ( -0.651 1.056 0.296) 1.275 4.735 ( -1.825 2.627 -0.515) 3.240 4.745 ( -1.432 2.864 0.633) 3.264 4.783 ( -1.211 1.787 -0.109) 2.161 4.810 ( -1.256 2.354 0.663) 2.749 4.867 ( -0.450 0.657 -0.058) 0.798 4.906 ( 0.146 0.129 -0.325) 0.379 ======================= Grid point 38 (29/288) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -0.373 2.145 5.230) 5.665 1.290 ( -2.582 0.305 0.688) 2.689 1.436 ( -2.717 0.555 -5.551) 6.205 1.555 ( -8.767 7.477 -1.369) 11.604 1.626 ( -5.225 7.170 2.252) 9.154 1.716 ( -6.637 8.452 1.584) 10.862 1.778 ( -8.060 5.985 -0.306) 10.044 1.974 ( 1.752 1.386 -1.344) 2.607 3.112 ( -10.805 -5.787 0.050) 12.258 3.416 ( -4.547 -2.086 4.104) 6.471 3.576 ( -5.880 -5.446 -6.768) 10.490 3.801 ( 2.362 -1.544 7.141) 7.678 4.023 ( -2.806 -5.592 -5.991) 8.662 4.329 ( 6.454 -0.315 4.696) 7.988 4.404 ( 5.156 -1.990 -2.186) 5.943 4.442 ( 4.956 -1.819 -0.477) 5.301 4.670 ( -1.182 0.526 0.226) 1.313 4.695 ( -0.756 1.057 0.359) 1.348 4.720 ( -2.357 1.901 -0.810) 3.135 4.738 ( -2.256 1.870 0.474) 2.968 4.773 ( -1.645 1.110 -0.147) 1.990 4.802 ( -2.231 1.902 0.884) 3.062 4.840 ( -2.416 -0.147 -0.070) 2.421 4.919 ( 0.949 -0.113 -0.005) 0.956 ======================= Grid point 39 (30/288) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -7.739 -0.077 -0.597) 7.762 1.291 ( 0.015 1.833 8.147) 8.350 1.409 ( -2.205 2.259 -8.393) 8.967 1.442 ( -8.634 3.403 -3.670) 9.980 1.587 ( -7.624 5.220 4.698) 10.366 1.654 ( -9.232 5.617 0.581) 10.822 1.691 ( -8.676 6.662 0.693) 10.961 2.007 ( 2.650 -2.536 -1.202) 3.860 2.824 ( -15.275 -6.743 0.406) 16.702 3.260 ( -10.431 -3.947 6.316) 12.817 3.358 ( -10.654 -6.046 -8.424) 14.867 3.748 ( -6.915 -2.859 4.468) 8.714 4.019 ( 6.478 -1.268 -3.226) 7.347 4.436 ( 5.390 -0.273 5.093) 7.420 4.469 ( 4.593 -0.568 -4.082) 6.171 4.518 ( 4.256 -0.262 0.082) 4.265 4.649 ( -2.130 0.857 0.166) 2.302 4.679 ( -3.060 1.454 0.185) 3.393 4.701 ( -1.048 0.583 -0.434) 1.275 4.712 ( -2.135 1.147 -0.660) 2.512 4.747 ( -1.857 -0.307 0.356) 1.916 4.777 ( -2.669 1.207 1.042) 3.109 4.793 ( -2.359 -0.610 0.002) 2.436 4.928 ( 0.425 -0.594 0.040) 0.732 ======================= Grid point 40 (31/288) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -9.870 -0.847 -0.847) 9.943 1.248 ( -13.379 3.517 -1.365) 13.901 1.312 ( -4.660 3.982 6.189) 8.711 1.405 ( -1.479 -2.182 -8.292) 8.700 1.481 ( -8.273 2.121 -0.566) 8.559 1.554 ( -5.845 1.516 4.196) 7.353 1.607 ( -7.587 4.127 0.941) 8.688 1.995 ( -1.042 -3.029 -0.625) 3.264 2.469 ( -19.540 -4.785 0.415) 20.122 3.031 ( -13.604 -2.395 9.116) 16.550 3.083 ( -13.224 -4.115 -10.293) 17.255 3.603 ( -7.005 -1.531 1.353) 7.297 4.131 ( 6.899 0.019 -0.667) 6.932 4.523 ( 3.898 -0.310 5.233) 6.532 4.532 ( 3.527 0.448 -4.471) 5.712 4.568 ( 1.677 0.159 0.011) 1.685 4.611 ( -3.117 0.649 -0.161) 3.188 4.634 ( -3.132 0.388 0.275) 3.167 4.664 ( -3.155 0.529 -0.487) 3.236 4.703 ( -1.022 0.023 -1.095) 1.498 4.712 ( -1.329 0.000 0.347) 1.374 4.744 ( -1.809 -0.083 1.209) 2.177 4.757 ( -0.971 -0.570 0.005) 1.126 4.921 ( -0.713 -0.498 0.017) 0.870 ======================= Grid point 41 (32/288) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -11.130 0.000 0.000) 11.130 1.018 ( -14.812 0.000 0.000) 14.812 1.235 ( -8.944 0.000 0.000) 8.944 1.262 ( -8.862 0.000 0.000) 8.862 1.379 ( -6.570 0.000 0.000) 6.570 1.503 ( -2.559 0.000 0.000) 2.559 1.526 ( -4.380 0.000 0.000) 4.380 1.904 ( -7.739 0.000 0.000) 7.739 2.073 ( -23.839 0.000 0.000) 23.839 2.804 ( -13.601 0.000 0.000) 13.601 2.806 ( -13.552 0.000 0.000) 13.552 3.500 ( -4.162 0.000 0.000) 4.162 4.242 ( 6.054 -0.000 -0.000) 6.054 4.550 ( -2.847 0.000 0.000) 2.847 4.563 ( -0.007 0.000 0.000) 0.007 4.580 ( -0.758 0.000 0.000) 0.758 4.585 ( -0.204 0.000 0.000) 0.204 4.607 ( 1.779 -0.000 -0.000) 1.779 4.616 ( -1.877 0.000 0.000) 1.877 4.666 ( -2.193 0.000 0.000) 2.193 4.695 ( -1.144 0.000 0.000) 1.144 4.715 ( -1.590 0.000 0.000) 1.590 4.760 ( 1.180 -0.000 -0.000) 1.180 4.895 ( -2.015 0.000 0.000) 2.015 ======================= Grid point 46 (33/288) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -0.000 9.651 -0.021) 9.651 0.763 ( -0.000 11.120 0.979) 11.163 1.112 ( -0.000 5.259 5.753) 7.794 1.123 ( 0.000 6.510 -5.094) 8.266 1.282 ( 0.000 4.204 -10.680) 11.478 1.295 ( -0.000 4.920 -0.036) 4.920 1.650 ( -0.000 7.737 9.652) 12.370 1.848 ( -0.000 13.084 -1.659) 13.189 1.959 ( -0.000 26.343 7.036) 27.267 2.553 ( 0.000 16.612 -16.142) 23.163 2.842 ( -0.000 9.298 15.179) 17.800 3.458 ( 0.000 3.206 -3.598) 4.819 4.320 ( -0.000 -4.778 2.846) 5.561 4.506 ( -0.000 1.767 0.042) 1.768 4.536 ( 0.000 -0.317 -4.545) 4.556 4.538 ( -0.000 1.809 -0.068) 1.811 4.568 ( -0.000 1.712 0.150) 1.719 4.579 ( 0.000 -0.900 -4.856) 4.939 4.638 ( -0.000 1.696 0.019) 1.696 4.639 ( -0.000 1.770 0.038) 1.770 4.706 ( -0.000 -0.329 2.670) 2.690 4.730 ( -0.000 0.559 2.753) 2.809 4.786 ( -0.000 -0.567 0.156) 0.588 4.872 ( 0.000 2.750 -0.973) 2.917 ======================= Grid point 47 (34/288) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 5.903 8.979 3.486) 11.297 0.922 ( 8.085 9.514 -2.930) 12.825 1.231 ( 5.775 5.069 4.236) 8.774 1.241 ( 6.522 7.037 -4.579) 10.631 1.283 ( -0.418 3.455 -7.666) 8.418 1.411 ( 6.360 4.512 -1.201) 7.889 1.707 ( -1.728 3.060 11.295) 11.829 1.944 ( -0.570 7.541 -2.855) 8.083 2.241 ( 2.056 24.089 6.838) 25.125 2.720 ( 2.358 17.460 -13.192) 22.010 2.989 ( 2.381 11.163 11.766) 16.393 3.499 ( 0.486 5.786 -4.021) 7.063 4.259 ( -2.087 -5.065 3.784) 6.658 4.510 ( -0.796 -2.126 -4.524) 5.062 4.540 ( 1.616 1.688 -0.193) 2.345 4.562 ( 0.410 0.921 -2.439) 2.640 4.577 ( 1.276 1.664 -1.223) 2.427 4.602 ( 1.690 1.984 0.116) 2.609 4.639 ( -0.810 -0.709 1.136) 1.565 4.668 ( 1.233 1.884 0.062) 2.253 4.698 ( -0.298 -0.499 0.843) 1.024 4.747 ( -0.199 1.128 1.608) 1.974 4.775 ( -0.880 0.479 1.314) 1.652 4.896 ( 0.200 1.930 -1.237) 2.301 ======================= Grid point 48 (35/288) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 4.199 8.167 2.517) 9.522 1.196 ( 10.700 7.912 -3.343) 13.721 1.276 ( 0.887 2.700 -6.878) 7.442 1.422 ( 7.548 3.869 5.689) 10.213 1.440 ( 7.239 9.048 -3.285) 12.044 1.584 ( 6.988 6.353 -0.021) 9.444 1.709 ( -1.876 2.085 9.588) 9.990 1.966 ( -1.143 1.304 -3.267) 3.699 2.521 ( 4.303 19.445 6.003) 20.800 2.920 ( 4.553 15.025 -10.521) 18.899 3.174 ( 4.579 10.234 9.097) 14.438 3.574 ( 1.389 7.448 -4.781) 8.959 4.167 ( -3.274 -5.633 4.984) 8.202 4.452 ( -1.780 -3.440 -5.245) 6.520 4.553 ( -0.280 -0.530 -1.492) 1.608 4.584 ( -1.692 -2.908 1.871) 3.850 4.609 ( 2.280 2.475 -0.123) 3.368 4.639 ( 1.480 2.561 0.195) 2.964 4.664 ( 2.642 1.939 0.015) 3.278 4.688 ( 0.104 -0.115 -0.414) 0.442 4.717 ( 1.277 2.245 0.160) 2.588 4.743 ( -0.294 1.056 -1.331) 1.724 4.784 ( -0.242 1.713 3.533) 3.934 4.909 ( 0.102 0.684 -1.375) 1.539 ======================= Grid point 49 (36/288) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 3.859 6.493 0.145) 7.555 1.247 ( -0.944 2.289 -4.406) 5.054 1.479 ( 7.264 6.858 -0.134) 9.991 1.531 ( 2.098 0.400 9.221) 9.465 1.633 ( 3.949 10.495 -2.431) 11.474 1.736 ( 2.706 8.439 2.145) 9.118 1.785 ( 2.550 8.366 -0.174) 8.747 1.938 ( 0.910 -3.518 -2.547) 4.437 2.792 ( 6.791 14.258 5.107) 16.598 3.127 ( 6.279 10.966 -8.257) 15.094 3.371 ( 6.487 7.232 7.287) 12.144 3.666 ( 1.895 6.532 -6.283) 9.259 4.063 ( -2.839 -5.871 6.820) 9.437 4.366 ( -2.597 -4.377 -5.791) 7.709 4.500 ( -2.651 -4.747 1.254) 5.580 4.521 ( -2.261 -3.550 0.886) 4.301 4.652 ( 0.589 0.983 -0.723) 1.356 4.686 ( 1.296 2.179 -0.812) 2.662 4.708 ( 1.250 2.140 -0.123) 2.482 4.731 ( 1.861 2.612 0.439) 3.237 4.753 ( 1.239 1.668 1.066) 2.336 4.777 ( 1.047 3.221 -0.559) 3.433 4.808 ( 0.394 2.023 1.774) 2.719 4.909 ( 0.135 -0.447 -1.297) 1.378 ======================= Grid point 50 (37/288) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -1.298 2.976 -3.006) 4.425 1.307 ( 2.628 4.019 2.115) 5.247 1.499 ( -0.066 -2.548 8.346) 8.727 1.668 ( 0.418 8.215 -2.761) 8.676 1.742 ( -0.669 6.237 -0.574) 6.299 1.844 ( -1.122 8.870 -1.353) 9.042 1.879 ( 0.961 8.905 -0.276) 8.961 1.980 ( 3.314 3.279 -0.256) 4.669 3.050 ( 8.288 9.926 4.268) 13.617 3.311 ( 5.961 6.915 -6.062) 10.959 3.552 ( 6.812 3.184 5.773) 9.480 3.708 ( -0.882 0.616 -6.495) 6.584 4.016 ( 2.021 -2.496 7.296) 7.971 4.261 ( -2.968 -4.807 -5.822) 8.113 4.399 ( -2.890 -6.174 0.921) 6.879 4.430 ( -2.724 -5.647 0.923) 6.337 4.672 ( 0.551 1.101 -0.347) 1.279 4.705 ( 0.001 0.984 -0.446) 1.081 4.761 ( 0.771 3.245 0.393) 3.358 4.768 ( -0.020 1.701 1.345) 2.168 4.795 ( 1.144 2.043 0.913) 2.513 4.820 ( 0.189 2.107 -1.005) 2.341 4.844 ( 1.040 2.893 0.150) 3.078 4.907 ( 0.439 -0.244 -0.754) 0.906 ======================= Grid point 51 (38/288) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -0.849 2.978 0.758) 3.188 1.344 ( -1.070 0.281 3.488) 3.659 1.528 ( 1.863 0.662 1.943) 2.772 1.644 ( -2.382 -0.658 -2.706) 3.665 1.796 ( -3.134 8.928 -1.195) 9.538 1.906 ( -3.534 10.362 0.627) 10.966 1.957 ( -2.339 8.403 -0.407) 8.731 2.047 ( -1.553 6.333 -0.403) 6.533 3.265 ( 5.100 6.343 2.911) 8.644 3.419 ( 1.383 2.822 -2.584) 4.069 3.618 ( -0.039 -3.882 -0.339) 3.897 3.697 ( 3.386 -1.813 0.461) 3.868 4.096 ( 5.580 0.167 3.782) 6.743 4.162 ( -2.333 -3.332 -4.101) 5.776 4.295 ( -1.140 -6.232 0.104) 6.336 4.344 ( -0.187 -5.692 0.317) 5.704 4.685 ( -0.028 0.823 0.157) 0.838 4.712 ( -0.246 0.767 0.450) 0.922 4.779 ( -0.519 1.557 0.330) 1.674 4.794 ( -0.798 2.332 0.002) 2.465 4.809 ( -0.473 0.836 -0.018) 0.960 4.840 ( 0.112 1.615 0.110) 1.623 4.884 ( 0.162 2.316 -0.058) 2.322 4.913 ( -0.238 0.794 -0.334) 0.894 ======================= Grid point 52 (39/288) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 0.213 2.805 4.285) 5.126 1.324 ( -1.371 -0.116 1.223) 1.841 1.477 ( -4.504 -2.730 -4.006) 6.617 1.686 ( 4.048 2.571 1.777) 5.114 1.784 ( -7.553 7.840 -2.248) 11.117 1.915 ( -6.366 7.982 1.677) 10.347 1.958 ( -5.948 6.191 -0.556) 8.604 2.044 ( -5.024 4.660 -0.746) 6.893 3.240 ( -9.029 -2.212 -0.114) 9.296 3.466 ( -0.579 2.141 3.244) 3.929 3.587 ( -1.204 -3.046 -3.669) 4.918 3.715 ( 4.358 -3.732 2.021) 6.083 4.041 ( -5.287 -4.094 -2.844) 7.266 4.224 ( 6.177 0.347 3.556) 7.135 4.289 ( 5.168 -2.489 -0.847) 5.799 4.333 ( 4.469 -3.092 -0.908) 5.510 4.688 ( -0.539 0.432 0.372) 0.784 4.712 ( -0.473 0.601 0.613) 0.980 4.764 ( -1.553 0.329 -1.052) 1.905 4.797 ( -1.992 1.927 0.280) 2.786 4.810 ( -0.736 1.334 0.116) 1.529 4.846 ( -0.869 0.843 0.597) 1.350 4.885 ( -2.027 1.011 0.017) 2.265 4.914 ( -0.360 0.605 -0.287) 0.760 ======================= Grid point 53 (40/288) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -5.223 0.785 0.364) 5.294 1.301 ( 1.294 1.809 6.483) 6.854 1.380 ( -0.804 -2.826 -6.349) 6.996 1.685 ( -10.786 4.572 -1.599) 11.824 1.757 ( -2.434 3.845 2.003) 4.972 1.858 ( -7.750 4.245 0.527) 8.852 1.887 ( -6.631 4.047 0.289) 7.774 1.972 ( -4.522 -0.901 -1.211) 4.767 3.017 ( -13.033 -3.069 0.146) 13.391 3.402 ( -7.556 -0.426 5.542) 9.380 3.456 ( -7.914 -3.703 -6.595) 10.947 3.811 ( 3.156 0.115 5.668) 6.489 3.912 ( -1.586 -3.081 -5.141) 6.200 4.341 ( 6.361 0.063 4.235) 7.642 4.364 ( 5.815 -0.975 -3.490) 6.852 4.421 ( 6.505 -0.406 -0.071) 6.518 4.677 ( -0.991 0.112 0.134) 1.006 4.712 ( -0.447 0.517 0.577) 0.895 4.741 ( -1.380 0.497 -0.919) 1.731 4.762 ( -3.244 0.431 0.099) 3.274 4.790 ( -2.884 0.630 0.077) 2.953 4.834 ( -1.945 0.839 0.588) 2.198 4.843 ( -3.315 0.254 -0.038) 3.325 4.914 ( 0.414 -0.299 -0.123) 0.525 ======================= Grid point 54 (41/288) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -8.641 0.000 0.000) 8.641 1.349 ( 1.316 -0.000 -0.000) 1.316 1.372 ( 1.434 -0.000 -0.000) 1.434 1.503 ( -12.820 0.000 0.000) 12.820 1.652 ( -9.826 0.000 0.000) 9.826 1.718 ( -10.016 0.000 0.000) 10.016 1.786 ( -9.534 0.000 0.000) 9.534 1.957 ( 2.835 -0.000 -0.000) 2.835 2.751 ( -16.139 0.000 0.000) 16.139 3.252 ( -11.168 0.000 0.000) 11.168 3.253 ( -11.197 0.000 0.000) 11.197 3.725 ( -7.756 0.000 0.000) 7.756 4.001 ( 8.082 -0.000 -0.000) 8.082 4.448 ( 5.334 -0.000 -0.000) 5.334 4.451 ( 5.243 -0.000 -0.000) 5.243 4.516 ( 4.486 -0.000 -0.000) 4.486 4.659 ( -1.417 0.000 0.000) 1.417 4.693 ( -3.317 0.000 0.000) 3.317 4.708 ( -1.782 0.000 0.000) 1.782 4.726 ( -1.345 0.000 0.000) 1.345 4.738 ( -2.676 0.000 0.000) 2.676 4.784 ( -3.194 0.000 0.000) 3.194 4.796 ( -2.898 0.000 0.000) 2.898 4.920 ( 0.370 -0.000 -0.000) 0.370 ======================= Grid point 61 (42/288) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -0.000 7.738 0.039) 7.738 0.971 ( -0.000 9.776 -0.357) 9.782 1.228 ( 0.000 5.693 -4.123) 7.029 1.231 ( -0.000 4.597 4.716) 6.586 1.316 ( 0.000 3.531 -8.002) 8.746 1.385 ( -0.000 4.158 -0.110) 4.159 1.758 ( -0.000 -0.059 12.930) 12.930 2.006 ( 0.000 4.033 -4.392) 5.963 2.475 ( -0.000 22.906 6.961) 23.941 2.861 ( 0.000 18.459 -12.148) 22.098 3.108 ( -0.000 12.545 9.448) 15.705 3.559 ( 0.000 8.415 -3.863) 9.259 4.235 ( -0.000 -5.118 4.623) 6.897 4.490 ( 0.000 -2.342 -4.773) 5.316 4.542 ( -0.000 1.755 0.049) 1.755 4.566 ( 0.000 0.871 -3.008) 3.132 4.575 ( -0.000 1.841 -0.041) 1.841 4.603 ( -0.000 1.747 0.104) 1.750 4.636 ( -0.000 -2.159 1.442) 2.596 4.673 ( -0.000 1.829 0.029) 1.829 4.700 ( -0.000 -0.037 0.271) 0.273 4.758 ( 0.000 0.254 -0.182) 0.313 4.795 ( -0.000 1.421 3.115) 3.423 4.910 ( 0.000 1.538 -1.524) 2.165 ======================= Grid point 62 (43/288) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 8.668 6.863 2.342) 11.302 1.087 ( 4.466 8.299 -3.004) 9.891 1.288 ( 0.281 3.114 -5.946) 6.718 1.340 ( 6.313 3.538 4.939) 8.762 1.389 ( 6.155 6.888 -3.594) 9.912 1.492 ( 7.320 3.672 -0.283) 8.195 1.759 ( -1.066 -1.541 12.653) 12.791 2.001 ( -1.790 -0.034 -5.377) 5.667 2.700 ( 0.137 19.934 6.545) 20.982 3.023 ( 0.604 16.840 -10.747) 19.986 3.253 ( 1.045 11.474 7.567) 13.784 3.644 ( -0.142 9.927 -4.129) 10.752 4.171 ( -2.387 -5.427 5.625) 8.173 4.442 ( -1.645 -2.700 -5.204) 6.089 4.553 ( -0.587 -0.261 -0.762) 0.997 4.582 ( -0.023 -0.028 0.087) 0.094 4.596 ( 0.806 -0.084 0.545) 0.977 4.624 ( 1.912 0.900 0.663) 2.214 4.640 ( 2.014 1.733 -0.286) 2.672 4.691 ( -0.297 -0.106 -0.215) 0.381 4.711 ( 1.637 1.735 0.057) 2.386 4.757 ( -0.318 0.981 -1.200) 1.582 4.812 ( -0.344 1.322 3.763) 4.003 4.916 ( -0.281 0.673 -1.691) 1.842 ======================= Grid point 63 (44/288) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 2.974 7.138 0.731) 7.767 1.280 ( 1.029 3.679 -3.509) 5.187 1.354 ( 11.763 5.459 -2.669) 13.240 1.482 ( 5.066 -0.058 7.936) 9.415 1.598 ( 9.109 7.364 -2.599) 11.998 1.682 ( 9.980 3.244 0.219) 10.496 1.774 ( 2.633 1.582 7.834) 8.415 1.937 ( -2.706 -2.086 -5.713) 6.657 2.896 ( 0.834 16.201 5.909) 17.265 3.172 ( 1.347 13.661 -9.238) 16.547 3.390 ( 2.069 8.442 6.224) 10.691 3.726 ( -0.691 9.202 -5.322) 10.653 4.074 ( -3.518 -5.744 7.219) 9.874 4.364 ( -2.865 -3.197 -5.652) 7.098 4.501 ( -2.682 -4.382 0.891) 5.214 4.528 ( -2.477 -3.468 0.928) 4.361 4.644 ( 1.525 1.362 -0.553) 2.118 4.678 ( 1.649 1.555 -0.694) 2.371 4.692 ( 2.752 1.623 0.035) 3.195 4.713 ( 2.262 1.725 0.660) 2.920 4.756 ( 1.031 1.843 -0.326) 2.137 4.781 ( 1.695 2.524 -0.458) 3.075 4.825 ( -0.144 1.167 2.960) 3.185 4.908 ( -0.555 -0.197 -1.691) 1.791 ======================= Grid point 64 (45/288) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -0.261 4.979 -4.341) 6.611 1.314 ( 1.492 4.670 2.338) 5.431 1.487 ( -0.020 -3.558 8.731) 9.428 1.642 ( 10.344 5.236 -0.214) 11.595 1.756 ( 1.681 -0.279 -3.247) 3.667 1.859 ( 7.033 4.120 -0.771) 8.187 1.903 ( 4.270 4.409 1.109) 6.236 1.934 ( 6.362 5.412 -1.403) 8.469 3.075 ( 2.749 12.338 5.005) 13.596 3.308 ( 2.598 10.068 -7.419) 12.773 3.510 ( 3.383 4.214 4.878) 7.280 3.755 ( -3.430 3.404 -5.871) 7.604 3.995 ( -0.853 -2.551 7.979) 8.420 4.266 ( -3.566 -3.147 -5.627) 7.367 4.396 ( -3.570 -5.952 1.068) 7.022 4.431 ( -3.636 -5.518 0.817) 6.659 4.672 ( 0.737 1.329 -0.384) 1.568 4.711 ( 0.504 1.177 -0.649) 1.436 4.755 ( 2.332 0.869 1.079) 2.712 4.769 ( 1.819 1.835 0.771) 2.697 4.795 ( 1.460 2.061 0.261) 2.539 4.834 ( 0.670 2.025 -0.429) 2.175 4.849 ( 1.240 1.825 0.576) 2.281 4.897 ( 0.296 -0.027 -0.995) 1.039 ======================= Grid point 65 (46/288) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -1.712 4.106 -1.708) 4.765 1.375 ( -0.945 1.215 4.158) 4.434 1.484 ( 3.105 -0.680 4.373) 5.406 1.661 ( -3.117 -4.297 -4.261) 6.807 1.856 ( 4.958 5.293 -0.507) 7.270 2.005 ( 2.800 6.664 -0.973) 7.293 2.027 ( 2.610 5.401 1.069) 6.093 2.086 ( 3.953 4.945 -0.413) 6.344 3.255 ( 4.978 9.056 3.698) 10.976 3.429 ( 2.415 6.980 -4.929) 8.880 3.590 ( 1.784 -1.300 2.134) 3.070 3.658 ( -4.058 -3.929 -0.953) 5.728 4.035 ( 3.388 2.130 3.644) 5.413 4.175 ( -2.939 -1.228 -4.253) 5.313 4.275 ( -3.473 -6.217 0.382) 7.131 4.312 ( -2.984 -6.232 0.795) 6.955 4.693 ( 0.289 1.078 0.096) 1.120 4.724 ( -0.068 0.906 0.070) 0.911 4.780 ( 0.871 -0.218 1.343) 1.616 4.816 ( 0.347 1.200 -0.346) 1.296 4.822 ( -0.239 0.324 -0.426) 0.587 4.846 ( 0.873 1.717 -0.177) 1.934 4.897 ( 1.165 2.095 0.033) 2.398 4.918 ( 0.854 1.008 -0.160) 1.331 ======================= Grid point 66 (47/288) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -1.055 2.865 0.403) 3.080 1.348 ( -1.658 -0.867 3.105) 3.625 1.521 ( -3.460 -1.105 -2.010) 4.151 1.608 ( 4.867 -0.837 -0.005) 4.939 1.928 ( -1.944 3.854 -0.643) 4.364 2.063 ( -2.662 4.559 0.197) 5.283 2.078 ( -1.974 3.221 0.160) 3.781 2.147 ( -1.498 2.940 -0.296) 3.312 3.379 ( -5.805 3.673 -0.054) 6.870 3.484 ( 2.964 3.704 1.733) 5.051 3.544 ( 1.395 -1.781 -0.093) 2.264 3.623 ( 1.106 -5.449 -1.277) 5.705 4.098 ( -3.246 0.431 -0.743) 3.357 4.157 ( 2.971 2.179 1.196) 3.874 4.189 ( 2.126 -3.590 0.072) 4.173 4.239 ( 1.444 -4.680 -0.579) 4.932 4.701 ( -0.344 0.494 0.277) 0.663 4.726 ( -0.401 0.439 0.370) 0.700 4.784 ( -1.111 -0.467 -0.699) 1.393 4.808 ( 1.161 0.252 0.363) 1.242 4.838 ( -0.653 1.019 0.060) 1.212 4.864 ( -0.349 0.699 0.030) 0.782 4.919 ( -0.549 0.969 0.021) 1.114 4.930 ( -0.333 0.643 -0.100) 0.732 ======================= Grid point 67 (48/288) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 0.002 -0.000 -0.000) 0.002 1.333 ( 0.010 -0.000 -0.000) 0.010 1.420 ( -5.907 0.000 0.000) 5.907 1.714 ( 6.165 -0.000 -0.000) 6.165 1.865 ( -7.363 0.000 0.000) 7.363 2.003 ( -6.680 0.000 0.000) 6.680 2.024 ( -6.146 0.000 0.000) 6.146 2.093 ( -6.286 0.000 0.000) 6.286 3.212 ( -11.497 0.000 0.000) 11.497 3.524 ( -4.199 0.000 0.000) 4.199 3.526 ( -4.363 0.000 0.000) 4.363 3.671 ( 9.769 -0.000 -0.000) 9.769 3.993 ( -6.722 0.000 0.000) 6.722 4.246 ( 5.492 -0.000 -0.000) 5.492 4.252 ( 5.195 -0.000 -0.000) 5.195 4.298 ( 7.140 -0.000 -0.000) 7.140 4.693 ( -0.805 0.000 0.000) 0.805 4.722 ( -0.375 0.000 0.000) 0.375 4.759 ( -1.130 0.000 0.000) 1.130 4.816 ( -2.406 0.000 0.000) 2.406 4.830 ( -0.087 0.000 0.000) 0.087 4.851 ( -0.853 0.000 0.000) 0.853 4.897 ( -2.435 0.000 0.000) 2.435 4.920 ( -1.041 0.000 0.000) 1.041 ======================= Grid point 76 (49/288) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -0.000 5.430 0.080) 5.431 1.146 ( -0.000 8.182 -0.703) 8.212 1.313 ( 0.000 4.402 -4.337) 6.179 1.323 ( -0.000 2.964 4.751) 5.600 1.385 ( 0.000 5.657 -4.132) 7.005 1.455 ( -0.000 2.912 -0.116) 2.914 1.762 ( -0.000 -3.759 13.394) 13.912 1.991 ( 0.000 -2.991 -6.664) 7.304 2.900 ( -0.000 17.671 6.242) 18.741 3.166 ( 0.000 15.876 -10.164) 18.851 3.368 ( -0.000 10.211 6.216) 11.954 3.746 ( 0.000 11.106 -3.936) 11.783 4.152 ( -0.000 -5.236 6.334) 8.218 4.428 ( 0.000 -1.804 -5.530) 5.816 4.569 ( 0.000 -1.584 0.151) 1.591 4.573 ( -0.000 1.405 0.041) 1.405 4.590 ( -0.000 -1.834 1.030) 2.103 4.608 ( -0.000 1.480 0.013) 1.480 4.635 ( -0.000 1.433 0.024) 1.434 4.690 ( 0.000 -0.728 -0.384) 0.823 4.708 ( -0.000 1.562 0.033) 1.562 4.768 ( 0.000 1.369 -1.400) 1.958 4.832 ( -0.000 0.703 3.827) 3.890 4.920 ( 0.000 0.107 -1.830) 1.833 ======================= Grid point 77 (50/288) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 10.866 4.185 0.914) 11.680 1.230 ( 1.578 7.002 -2.032) 7.460 1.345 ( -0.305 4.057 -3.369) 5.282 1.405 ( 5.038 1.183 5.218) 7.349 1.505 ( 7.342 6.054 -2.612) 9.868 1.548 ( 7.425 2.054 -0.029) 7.703 1.750 ( 1.140 -3.226 11.406) 11.908 1.928 ( -1.182 -4.483 -7.156) 8.527 3.063 ( -0.633 14.421 5.554) 15.466 3.290 ( -0.514 13.341 -9.158) 16.190 3.464 ( 0.064 7.000 5.243) 8.746 3.835 ( -1.314 10.204 -4.856) 11.377 4.088 ( -2.663 -5.080 7.549) 9.481 4.380 ( -2.562 -1.306 -5.547) 6.249 4.509 ( -2.749 -4.100 1.146) 5.068 4.543 ( -2.702 -2.540 0.713) 3.776 4.624 ( 2.504 1.555 -0.012) 2.947 4.650 ( 2.720 1.114 0.261) 2.950 4.668 ( 1.677 1.199 -0.531) 2.129 4.692 ( 1.301 0.498 0.054) 1.394 4.742 ( 1.952 1.271 -0.100) 2.331 4.784 ( 0.416 2.049 -1.105) 2.365 4.841 ( -0.153 0.292 3.354) 3.370 4.911 ( -0.444 -0.519 -1.811) 1.935 ======================= Grid point 78 (51/288) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 2.036 5.658 -2.094) 6.367 1.356 ( 1.044 4.177 0.225) 4.311 1.425 ( 9.155 1.923 -0.502) 9.368 1.487 ( 5.563 -1.391 6.982) 9.035 1.678 ( 6.024 -0.270 -1.708) 6.267 1.730 ( 10.784 3.451 -0.700) 11.344 1.822 ( 7.347 0.478 5.536) 9.212 1.875 ( 2.460 -1.327 -5.873) 6.504 3.186 ( -0.344 10.757 4.435) 11.641 3.383 ( -0.333 10.333 -7.604) 12.833 3.524 ( 0.432 2.670 4.252) 5.039 3.858 ( -4.746 4.235 -5.306) 8.284 4.016 ( -1.974 -1.273 7.804) 8.150 4.303 ( -3.978 -0.590 -5.029) 6.439 4.406 ( -3.881 -5.344 1.245) 6.721 4.450 ( -4.167 -4.237 0.723) 5.987 4.671 ( 1.068 1.439 -0.208) 1.804 4.702 ( 1.758 0.964 -0.456) 2.056 4.716 ( 3.065 0.599 0.578) 3.176 4.743 ( 2.884 1.130 0.208) 3.105 4.784 ( 1.605 0.900 -0.116) 1.844 4.827 ( 2.019 2.085 0.013) 2.902 4.850 ( 0.384 0.611 1.582) 1.738 4.893 ( -0.379 -0.721 -1.400) 1.620 ======================= Grid point 79 (52/288) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -1.400 4.686 -4.801) 6.854 1.411 ( 0.579 3.294 2.607) 4.241 1.436 ( 0.482 -3.952 6.650) 7.751 1.651 ( -0.587 -3.212 -2.716) 4.247 1.733 ( 11.930 1.295 -0.498) 12.010 1.939 ( 9.239 2.676 -0.723) 9.646 1.973 ( 7.865 1.623 1.028) 8.096 2.007 ( 8.740 2.029 -0.538) 8.988 3.286 ( 1.612 6.385 2.601) 7.081 3.463 ( 0.917 7.413 -5.155) 9.076 3.548 ( 1.243 -2.002 2.769) 3.636 3.741 ( -8.090 -2.082 -0.583) 8.374 4.031 ( 0.792 2.597 2.459) 3.663 4.228 ( -3.970 1.242 -3.541) 5.463 4.286 ( -4.071 -4.992 1.024) 6.522 4.330 ( -4.920 -4.082 0.696) 6.431 4.696 ( 0.602 0.910 -0.013) 1.091 4.729 ( 0.533 0.639 -0.215) 0.860 4.758 ( 1.505 -0.304 0.798) 1.730 4.801 ( 2.361 0.683 -0.032) 2.458 4.815 ( 1.220 0.143 -0.030) 1.229 4.853 ( -0.327 0.609 -0.135) 0.704 4.885 ( 2.063 1.234 -0.080) 2.406 4.901 ( 1.727 0.183 -0.090) 1.739 ======================= Grid point 80 (53/288) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -2.135 0.000 0.000) 2.135 1.377 ( -2.264 0.000 0.000) 2.264 1.506 ( 5.157 -0.000 -0.000) 5.157 1.584 ( -3.542 0.000 0.000) 3.542 1.910 ( 6.240 -0.000 -0.000) 6.240 2.072 ( 4.296 -0.000 -0.000) 4.296 2.084 ( 3.173 -0.000 -0.000) 3.173 2.136 ( 4.454 -0.000 -0.000) 4.454 3.380 ( 5.400 -0.000 -0.000) 5.400 3.540 ( 0.461 -0.000 -0.000) 0.461 3.542 ( 1.657 -0.000 -0.000) 1.657 3.575 ( -8.000 0.000 0.000) 8.000 4.085 ( 3.467 -0.000 -0.000) 3.467 4.184 ( -3.100 0.000 0.000) 3.100 4.196 ( -2.092 0.000 0.000) 2.092 4.218 ( -4.597 0.000 0.000) 4.597 4.707 ( 0.101 -0.000 -0.000) 0.101 4.734 ( -0.194 0.000 0.000) 0.194 4.778 ( 1.169 -0.000 -0.000) 1.169 4.808 ( -0.875 0.000 0.000) 0.875 4.840 ( 1.053 -0.000 -0.000) 1.053 4.864 ( 0.734 -0.000 -0.000) 0.734 4.919 ( 1.081 -0.000 -0.000) 1.081 4.928 ( 0.995 -0.000 -0.000) 0.995 ======================= Grid point 92 (54/288) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -0.000 2.808 0.065) 2.808 1.285 ( -0.000 5.772 -0.547) 5.798 1.369 ( 0.000 2.762 -3.979) 4.844 1.378 ( -0.000 1.020 4.179) 4.301 1.498 ( -0.000 1.486 -0.066) 1.487 1.505 ( 0.000 7.222 -1.719) 7.424 1.718 ( -0.000 -4.707 11.519) 12.444 1.871 ( 0.000 -5.784 -7.546) 9.508 3.203 ( -0.000 10.717 4.463) 11.609 3.401 ( 0.000 10.914 -8.325) 13.727 3.527 ( -0.000 3.475 4.692) 5.839 3.936 ( 0.000 8.707 -5.484) 10.290 4.081 ( -0.000 -4.013 8.096) 9.036 4.393 ( 0.000 0.522 -5.362) 5.388 4.498 ( -0.000 -4.726 1.820) 5.065 4.568 ( -0.000 -1.658 0.801) 1.841 4.595 ( -0.000 0.780 0.024) 0.780 4.631 ( -0.000 0.821 0.034) 0.821 4.658 ( -0.000 0.809 -0.018) 0.809 4.686 ( 0.000 0.468 -0.370) 0.596 4.733 ( -0.000 0.902 0.023) 0.902 4.799 ( 0.000 2.094 -1.367) 2.500 4.847 ( -0.000 -0.417 3.268) 3.294 4.905 ( 0.000 -0.886 -1.699) 1.916 ======================= Grid point 93 (55/288) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 11.439 1.421 0.221) 11.529 1.335 ( 0.812 3.698 -1.902) 4.237 1.407 ( 1.493 2.564 -2.580) 3.932 1.424 ( 3.053 -0.869 5.107) 6.013 1.568 ( 6.095 0.407 -0.048) 6.109 1.617 ( 5.535 5.563 -1.315) 7.957 1.719 ( 3.725 -3.482 7.552) 9.112 1.808 ( 0.728 -3.913 -5.972) 7.177 3.287 ( -0.577 5.995 2.628) 6.571 3.473 ( -0.725 7.818 -6.710) 10.328 3.544 ( -0.429 -0.720 4.416) 4.495 3.961 ( -3.671 2.612 -4.304) 6.231 4.053 ( -1.280 -0.017 5.968) 6.104 4.366 ( -3.245 1.833 -4.240) 5.645 4.423 ( -3.254 -4.572 2.010) 5.961 4.496 ( -4.546 -1.841 0.479) 4.928 4.647 ( 3.125 0.653 0.061) 3.193 4.666 ( 2.869 0.410 0.142) 2.901 4.684 ( 1.350 0.524 -0.244) 1.469 4.703 ( 2.106 0.349 0.079) 2.136 4.758 ( 1.884 0.445 -0.057) 1.937 4.822 ( 0.682 1.872 -0.982) 2.222 4.848 ( 0.295 -0.581 2.310) 2.400 4.890 ( -0.420 -0.794 -1.202) 1.501 ======================= Grid point 94 (56/288) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 2.620 -0.000 -0.000) 2.620 1.384 ( 3.428 -0.000 -0.000) 3.428 1.444 ( -0.327 0.000 0.000) 0.327 1.490 ( 11.374 -0.000 -0.000) 11.374 1.647 ( 1.718 -0.000 -0.000) 1.718 1.777 ( 9.930 -0.000 -0.000) 9.930 1.823 ( 9.323 -0.000 -0.000) 9.323 1.860 ( 8.019 -0.000 -0.000) 8.019 3.311 ( -0.226 0.000 0.000) 0.226 3.509 ( -0.337 0.000 0.000) 0.337 3.521 ( -0.510 0.000 0.000) 0.510 3.866 ( -7.204 0.000 0.000) 7.204 4.048 ( -0.606 0.000 0.000) 0.606 4.315 ( -4.332 0.000 0.000) 4.332 4.323 ( -4.313 0.000 0.000) 4.313 4.399 ( -5.265 0.000 0.000) 5.265 4.689 ( 0.981 -0.000 -0.000) 0.981 4.709 ( 2.006 -0.000 -0.000) 2.006 4.723 ( 2.716 -0.000 -0.000) 2.716 4.755 ( 3.154 -0.000 -0.000) 3.154 4.792 ( 1.553 -0.000 -0.000) 1.553 4.854 ( 1.768 -0.000 -0.000) 1.768 4.859 ( 0.934 -0.000 -0.000) 0.934 4.877 ( 0.038 -0.000 -0.000) 0.038 ======================= Grid point 109 (57/288) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -0.000 0.000 0.000) 0.000 1.347 ( -0.000 0.000 0.000) 0.000 1.392 ( 0.000 0.000 -0.000) 0.000 1.394 ( -0.000 0.000 0.000) 0.000 1.513 ( -0.000 0.000 0.000) 0.000 1.621 ( -0.000 0.000 -0.000) 0.000 1.666 ( -0.000 0.000 0.000) 0.000 1.772 ( -0.000 0.000 0.000) 0.000 3.324 ( -0.000 0.000 0.000) 0.000 3.524 ( -0.000 -0.000 0.000) 0.000 3.538 ( 0.000 0.000 -0.000) 0.000 4.004 ( -0.000 0.000 0.000) 0.000 4.070 ( 0.000 0.000 -0.000) 0.000 4.415 ( -0.000 -0.000 0.000) 0.000 4.422 ( 0.000 0.000 -0.000) 0.000 4.547 ( -0.000 0.000 -0.000) 0.000 4.603 ( -0.000 0.000 0.000) 0.000 4.639 ( -0.000 0.000 -0.000) 0.000 4.666 ( -0.000 0.000 0.000) 0.000 4.693 ( -0.000 0.000 0.000) 0.000 4.742 ( -0.000 0.000 0.000) 0.000 4.828 ( -0.000 0.000 0.000) 0.000 4.841 ( -0.000 0.000 -0.000) 0.000 4.888 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 218 (58/288) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.082 ( -0.000 0.000 15.743) 15.743 0.082 ( -0.000 0.000 15.743) 15.743 0.199 ( -0.000 0.000 38.267) 38.267 0.842 ( 0.000 -0.000 -7.550) 7.550 0.842 ( 0.000 -0.000 -7.550) 7.550 0.913 ( -0.000 0.000 6.164) 6.164 0.913 ( -0.000 0.000 6.164) 6.164 1.088 ( 0.000 -0.000 -0.266) 0.266 1.088 ( 0.000 -0.000 -0.266) 0.266 2.315 ( 0.000 -0.000 -28.504) 28.504 2.600 ( -0.000 0.000 25.957) 25.957 3.467 ( 0.000 -0.000 -1.645) 1.645 4.443 ( 0.000 -0.000 -0.019) 0.019 4.443 ( 0.000 -0.000 -0.019) 0.019 4.477 ( 0.000 -0.000 -0.011) 0.011 4.477 ( 0.000 -0.000 -0.011) 0.011 4.508 ( -0.000 0.000 0.119) 0.119 4.508 ( -0.000 0.000 0.119) 0.119 4.582 ( 0.000 -0.000 -0.018) 0.018 4.582 ( 0.000 -0.000 -0.018) 0.018 4.657 ( 0.000 -0.000 -0.333) 0.333 4.745 ( 0.000 -0.000 -4.016) 4.016 4.802 ( -0.000 0.000 4.872) 4.872 4.903 ( 0.000 -0.000 -3.420) 3.420 ======================= Grid point 219 (59/288) ======================= q-point: ( 0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.292 ( 9.930 5.733 8.799) 14.453 0.316 ( 10.684 6.168 10.001) 15.881 0.681 ( 26.467 15.281 9.575) 32.027 0.827 ( 1.551 0.895 -8.109) 8.304 0.983 ( 3.759 2.170 5.212) 6.783 1.021 ( 13.144 7.589 -6.921) 16.681 1.047 ( 10.475 6.048 6.287) 13.632 1.116 ( 2.487 1.436 -0.623) 2.938 1.237 ( 11.888 6.864 -0.087) 13.728 2.271 ( 0.982 0.567 -27.501) 27.525 2.641 ( 0.050 0.029 24.592) 24.592 3.455 ( -0.653 -0.377 -2.363) 2.480 4.451 ( 0.688 0.397 -0.035) 0.795 4.466 ( -1.137 -0.656 0.084) 1.316 4.485 ( 0.646 0.373 -0.029) 0.747 4.516 ( 0.662 0.382 0.187) 0.787 4.523 ( 2.060 1.189 -1.847) 3.011 4.546 ( 0.753 0.435 -3.710) 3.811 4.558 ( 0.119 0.069 -1.444) 1.450 4.589 ( 0.572 0.330 -0.047) 0.662 4.698 ( 1.416 0.817 -2.740) 3.191 4.745 ( 0.818 0.472 -1.181) 1.512 4.789 ( -0.743 -0.429 1.323) 1.576 4.827 ( -1.661 -0.959 5.492) 5.817 ======================= Grid point 220 (60/288) ======================= q-point: ( 0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 9.553 5.515 7.045) 13.088 0.579 ( 10.986 6.343 7.094) 14.534 0.879 ( 3.989 2.303 -8.015) 9.244 1.093 ( 4.923 2.842 4.226) 7.083 1.191 ( 4.018 2.320 -0.841) 4.715 1.252 ( 16.746 9.668 -0.007) 19.337 1.309 ( 11.211 6.473 -0.323) 12.950 1.352 ( 18.945 10.938 3.213) 22.111 1.562 ( 15.279 8.821 0.100) 17.643 2.309 ( 7.237 4.178 -21.968) 23.504 2.713 ( 3.456 1.995 21.052) 21.427 3.437 ( -0.239 -0.138 -3.389) 3.400 4.403 ( -3.738 -2.158 1.281) 4.503 4.473 ( 1.239 0.715 -0.026) 1.431 4.506 ( 1.170 0.675 -0.107) 1.355 4.538 ( 1.232 0.711 0.291) 1.452 4.544 ( 0.579 0.334 -5.770) 5.809 4.580 ( 1.736 1.002 -1.191) 2.331 4.596 ( 2.754 1.590 -0.171) 3.185 4.608 ( 1.076 0.621 -0.081) 1.245 4.688 ( -0.648 -0.374 -1.454) 1.636 4.756 ( -1.785 -1.031 3.267) 3.863 4.788 ( -0.019 -0.011 -0.062) 0.066 4.820 ( 1.851 1.069 0.671) 2.240 ======================= Grid point 221 (61/288) ======================= q-point: ( 0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 8.409 4.855 6.296) 11.572 0.837 ( 10.638 6.142 5.394) 13.416 0.969 ( 4.904 2.831 -7.484) 9.385 1.213 ( 4.925 2.844 3.325) 6.588 1.286 ( 4.271 2.466 -0.907) 5.014 1.398 ( 2.097 1.211 -14.193) 14.398 1.506 ( 4.792 2.767 10.311) 11.702 1.857 ( 15.153 8.749 1.156) 17.535 1.912 ( 19.937 11.511 2.059) 23.114 2.538 ( 14.720 8.499 -13.286) 21.574 2.890 ( 9.238 5.334 15.556) 18.862 3.448 ( 2.259 1.304 -4.606) 5.294 4.314 ( -4.255 -2.457 2.342) 5.443 4.506 ( 1.542 0.891 0.007) 1.781 4.536 ( 1.458 0.842 -0.199) 1.695 4.546 ( 0.266 0.153 -4.505) 4.516 4.572 ( 1.607 0.928 0.379) 1.894 4.582 ( -0.937 -0.541 -4.187) 4.325 4.636 ( 1.427 0.824 -0.112) 1.651 4.652 ( 1.588 0.917 0.617) 1.934 4.699 ( 0.862 0.498 2.132) 2.352 4.713 ( -1.308 -0.755 2.405) 2.840 4.776 ( -0.615 -0.355 -0.851) 1.109 4.877 ( 2.472 1.427 -0.384) 2.881 ======================= Grid point 222 (62/288) ======================= q-point: ( 0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 6.837 3.947 5.807) 9.800 1.066 ( 4.472 2.582 -6.765) 8.511 1.077 ( 9.536 5.506 4.038) 11.728 1.323 ( 4.140 2.390 2.522) 5.405 1.375 ( -0.917 -0.529 -14.662) 14.700 1.376 ( 3.598 2.077 -0.886) 4.248 1.572 ( -0.071 -0.041 11.720) 11.720 2.055 ( 4.416 2.550 -0.187) 5.103 2.402 ( 20.111 11.611 2.620) 23.369 2.876 ( 15.541 8.973 -8.299) 19.771 3.167 ( 12.452 7.189 10.995) 18.101 3.534 ( 5.993 3.460 -5.858) 9.067 4.222 ( -4.162 -2.403 3.629) 6.022 4.515 ( -2.252 -1.300 -5.213) 5.826 4.541 ( 1.547 0.893 0.044) 1.787 4.568 ( 0.245 0.141 -1.692) 1.716 4.569 ( 1.443 0.833 -0.220) 1.680 4.610 ( 1.676 0.967 0.363) 1.968 4.640 ( -2.142 -1.237 3.015) 3.900 4.670 ( 1.530 0.883 -0.116) 1.771 4.704 ( 0.707 0.408 -1.535) 1.739 4.736 ( 0.312 0.180 1.467) 1.511 4.768 ( 0.616 0.356 0.194) 0.737 4.922 ( 1.426 0.823 -0.639) 1.766 ======================= Grid point 223 (63/288) ======================= q-point: ( 0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 4.960 2.864 5.277) 7.787 1.143 ( 3.177 1.834 -5.833) 6.891 1.247 ( 3.013 1.740 -1.674) 3.861 1.360 ( 3.208 1.852 -5.297) 6.464 1.407 ( 2.903 1.676 1.713) 3.764 1.444 ( 2.468 1.425 -0.772) 2.952 1.574 ( -0.493 -0.285 9.126) 9.144 2.077 ( -1.966 -1.135 -0.963) 2.466 2.819 ( 15.941 9.203 2.620) 18.592 3.183 ( 11.976 6.914 -5.829) 15.007 3.464 ( 11.529 6.657 8.531) 15.812 3.676 ( 6.564 3.790 -7.410) 10.600 4.151 ( -2.247 -1.297 5.506) 6.087 4.442 ( -3.186 -1.839 -5.730) 6.809 4.568 ( -0.341 -0.197 0.311) 0.501 4.574 ( 1.248 0.720 0.056) 1.442 4.593 ( -2.354 -1.359 2.407) 3.630 4.599 ( 1.147 0.662 -0.138) 1.331 4.646 ( 1.376 0.794 0.215) 1.603 4.703 ( 1.309 0.756 -0.068) 1.513 4.706 ( -0.352 -0.203 -0.803) 0.900 4.732 ( -0.102 -0.059 -1.073) 1.080 4.799 ( 1.451 0.838 1.652) 2.353 4.938 ( 0.132 0.076 -0.812) 0.826 ======================= Grid point 224 (64/288) ======================= q-point: ( 0.50 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 2.237 1.292 0.618) 2.656 1.192 ( 2.043 1.180 -0.672) 2.453 1.250 ( -0.109 -0.063 -3.588) 3.590 1.429 ( 0.401 0.232 5.133) 5.154 1.458 ( 1.387 0.801 0.552) 1.694 1.485 ( 1.268 0.732 -0.299) 1.495 1.635 ( 5.249 3.031 1.834) 6.333 1.987 ( -5.147 -2.972 -1.648) 6.168 3.128 ( 10.424 6.018 2.680) 12.332 3.381 ( 5.751 3.321 -3.637) 7.572 3.693 ( 6.364 3.674 6.287) 9.671 3.767 ( 2.677 1.545 -6.774) 7.446 4.169 ( 3.181 1.837 6.092) 7.114 4.350 ( -4.081 -2.356 -5.785) 7.462 4.529 ( -2.625 -1.516 -0.045) 3.032 4.566 ( -0.552 -0.318 2.011) 2.109 4.596 ( 0.691 0.399 0.024) 0.798 4.619 ( 0.644 0.372 0.021) 0.743 4.671 ( 0.760 0.439 -0.008) 0.878 4.691 ( -0.619 -0.358 -0.904) 1.152 4.727 ( 0.764 0.441 0.024) 0.882 4.733 ( 0.143 0.083 0.498) 0.525 4.836 ( 1.611 0.930 0.917) 2.074 4.927 ( -0.904 -0.522 -0.864) 1.354 ======================= Grid point 225 (65/288) ======================= q-point: (-0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -0.773 -0.446 -4.649) 4.734 1.236 ( 0.873 0.504 5.180) 5.277 1.257 ( 0.963 0.556 1.079) 1.549 1.421 ( -1.025 -0.592 3.756) 3.938 1.471 ( -0.256 -0.148 -0.888) 0.936 1.501 ( 0.120 0.069 0.415) 0.437 1.731 ( -0.464 -0.268 -1.540) 1.631 1.894 ( 0.365 0.211 -1.243) 1.313 3.259 ( -0.612 -0.353 1.244) 1.431 3.445 ( 1.100 0.635 0.454) 1.349 3.728 ( -1.531 -0.884 -4.818) 5.133 3.830 ( 1.621 0.936 4.782) 5.135 4.231 ( -5.098 -2.943 -5.171) 7.836 4.288 ( 5.027 2.902 4.735) 7.491 4.491 ( -0.140 -0.081 -0.786) 0.802 4.555 ( -0.508 -0.293 -0.074) 0.591 4.604 ( -0.010 -0.006 -0.030) 0.032 4.627 ( 0.024 0.014 0.200) 0.202 4.680 ( -0.032 -0.018 -0.231) 0.234 4.684 ( 0.137 0.079 -0.355) 0.389 4.736 ( 0.012 0.007 0.120) 0.121 4.737 ( 0.095 0.055 1.879) 1.882 4.861 ( -0.269 -0.155 -0.062) 0.317 4.910 ( 0.280 0.162 -0.315) 0.452 ======================= Grid point 226 (66/288) ======================= q-point: (-0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -2.988 -1.725 -4.553) 5.712 1.243 ( -1.104 -0.637 5.733) 5.873 1.284 ( 0.361 0.209 1.339) 1.403 1.412 ( 0.055 0.032 3.675) 3.676 1.445 ( -1.777 -1.026 -1.835) 2.753 1.491 ( -1.145 -0.661 0.592) 1.448 1.615 ( -6.330 -3.655 -2.194) 7.631 1.989 ( 5.162 2.981 -1.253) 6.091 3.118 ( -10.596 -6.118 0.635) 12.252 3.419 ( -4.661 -2.691 3.691) 6.526 3.618 ( -7.567 -4.369 -7.671) 11.627 3.846 ( -1.598 -0.923 7.981) 8.192 4.106 ( -3.447 -1.990 -6.001) 7.201 4.407 ( 4.333 2.502 5.081) 7.131 4.513 ( 1.656 0.956 -3.254) 3.774 4.553 ( 0.741 0.428 -0.028) 0.856 4.596 ( -0.702 -0.405 -0.057) 0.812 4.621 ( -0.606 -0.350 0.329) 0.773 4.669 ( -0.816 -0.471 -0.399) 1.023 4.692 ( 0.518 0.299 -0.525) 0.796 4.728 ( -0.744 -0.430 0.184) 0.879 4.745 ( 0.212 0.123 2.660) 2.671 4.830 ( -1.763 -1.018 -0.483) 2.092 4.932 ( 0.980 0.566 0.075) 1.134 ======================= Grid point 227 (67/288) ======================= q-point: (-0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -5.086 -2.936 -4.292) 7.274 1.207 ( -2.893 -1.670 6.160) 7.007 1.222 ( -5.949 -3.434 -4.948) 8.466 1.384 ( -3.197 -1.846 -2.591) 4.510 1.449 ( 1.824 1.053 6.904) 7.218 1.451 ( -2.436 -1.406 0.537) 2.863 1.508 ( -1.978 -1.142 -0.187) 2.292 2.074 ( 1.956 1.129 -1.527) 2.726 2.813 ( -16.033 -9.257 1.341) 18.562 3.243 ( -10.994 -6.347 5.756) 13.939 3.371 ( -12.271 -7.085 -9.289) 16.943 3.741 ( -7.702 -4.447 4.716) 10.066 4.107 ( 3.379 1.951 -2.537) 4.654 4.501 ( 3.190 1.842 5.458) 6.584 4.538 ( 1.387 0.801 -4.762) 5.024 4.573 ( -1.242 -0.717 -0.041) 1.435 4.584 ( 1.317 0.760 0.113) 1.525 4.601 ( -1.136 -0.656 0.370) 1.363 4.643 ( -1.407 -0.812 -0.471) 1.691 4.704 ( 0.588 0.339 -0.892) 1.121 4.705 ( -1.305 -0.753 0.196) 1.519 4.751 ( -0.279 -0.161 2.474) 2.495 4.792 ( -1.386 -0.800 -0.063) 1.602 4.943 ( -0.131 -0.076 -0.036) 0.155 ======================= Grid point 228 (68/288) ======================= q-point: (-0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -6.998 -4.040 -4.002) 9.017 1.027 ( -9.589 -5.536 -5.278) 12.266 1.136 ( -4.200 -2.425 6.587) 8.180 1.292 ( -4.440 -2.564 -3.390) 6.147 1.383 ( -3.572 -2.063 0.468) 4.152 1.454 ( -0.565 -0.326 -9.739) 9.761 1.536 ( 1.149 0.663 14.894) 14.953 2.049 ( -4.344 -2.508 -1.378) 5.202 2.400 ( -20.327 -11.736 2.084) 23.564 2.965 ( -13.876 -8.011 8.793) 18.276 3.049 ( -13.954 -8.056 -11.749) 19.941 3.575 ( -6.486 -3.745 1.963) 7.742 4.201 ( 4.563 2.634 -0.340) 5.280 4.541 ( -1.534 -0.885 -0.003) 1.771 4.560 ( 1.012 0.584 -1.626) 2.002 4.572 ( -1.468 -0.848 0.303) 1.722 4.575 ( 2.411 1.392 3.603) 4.553 4.606 ( -1.662 -0.959 -0.405) 1.961 4.609 ( 1.252 0.723 -1.914) 2.399 4.672 ( -1.542 -0.891 0.159) 1.788 4.705 ( -0.610 -0.352 -1.073) 1.283 4.735 ( -1.363 -0.787 1.722) 2.333 4.775 ( -0.058 -0.034 0.712) 0.715 4.924 ( -1.443 -0.833 -0.180) 1.676 ======================= Grid point 229 (69/288) ======================= q-point: (-0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -8.630 -4.983 -3.577) 10.588 0.785 ( -10.773 -6.220 -4.247) 13.145 1.045 ( -4.659 -2.690 6.938) 8.779 1.173 ( -5.267 -3.041 -4.307) 7.453 1.293 ( -4.252 -2.455 0.411) 4.927 1.393 ( -3.814 -2.202 -10.682) 11.555 1.538 ( -4.145 -2.393 12.026) 12.943 1.854 ( -14.420 -8.325 0.283) 16.653 1.911 ( -20.770 -11.992 1.927) 24.061 2.685 ( -11.358 -6.557 14.743) 19.732 2.723 ( -11.805 -6.815 -16.291) 21.241 3.474 ( -2.521 -1.456 0.432) 2.943 4.304 ( 4.385 2.532 0.296) 5.072 4.506 ( -1.531 -0.884 0.028) 1.768 4.538 ( -1.510 -0.872 0.144) 1.750 4.568 ( -1.557 -0.899 -0.215) 1.811 4.570 ( 0.204 0.118 -0.934) 0.964 4.618 ( 0.429 0.248 0.587) 0.768 4.633 ( 0.164 0.095 -1.349) 1.363 4.637 ( -1.446 -0.835 0.099) 1.673 4.684 ( -0.072 -0.041 0.457) 0.464 4.706 ( -0.809 -0.467 1.188) 1.511 4.783 ( 0.398 0.230 0.448) 0.642 4.878 ( -2.512 -1.450 -0.266) 2.912 ======================= Grid point 230 (70/288) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( -9.868 -5.697 -2.722) 11.715 0.527 ( -11.299 -6.523 -2.206) 13.232 0.958 ( -3.848 -2.221 7.079) 8.357 1.043 ( -5.308 -3.065 -5.361) 8.143 1.197 ( -4.042 -2.334 0.308) 4.678 1.220 ( -11.123 -6.422 -6.314) 14.312 1.292 ( -21.914 -12.652 1.818) 25.369 1.402 ( -15.306 -8.837 7.318) 19.129 1.558 ( -15.152 -8.748 -0.654) 17.508 2.484 ( -5.850 -3.377 -22.589) 23.578 2.541 ( -3.940 -2.275 22.293) 22.752 3.451 ( 0.107 0.062 -0.536) 0.550 4.399 ( 3.826 2.209 0.377) 4.434 4.474 ( -1.237 -0.714 0.032) 1.428 4.506 ( -1.208 -0.698 0.013) 1.395 4.536 ( -1.189 -0.686 -0.031) 1.373 4.567 ( -0.631 -0.364 -1.984) 2.114 4.588 ( -1.904 -1.099 0.053) 2.199 4.596 ( -2.434 -1.405 -0.134) 2.814 4.608 ( -1.093 -0.631 0.046) 1.263 4.708 ( 1.515 0.875 -4.429) 4.762 4.729 ( 1.660 0.958 4.890) 5.253 4.789 ( -0.035 -0.020 0.620) 0.621 4.816 ( -2.565 -1.481 -0.107) 2.963 ======================= Grid point 233 (71/288) ======================= q-point: ( 0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.254 ( -0.000 10.481 4.952) 11.592 0.318 ( -0.000 9.543 14.088) 17.016 0.737 ( -0.000 30.475 13.937) 33.511 0.886 ( 0.000 5.037 -7.210) 8.795 0.935 ( 0.000 11.727 -8.010) 14.202 0.939 ( -0.000 1.952 6.209) 6.509 1.114 ( -0.000 15.053 4.942) 15.843 1.119 ( -0.000 3.037 -0.180) 3.043 1.232 ( -0.000 13.512 -0.764) 13.534 2.227 ( 0.000 1.897 -27.603) 27.668 2.680 ( -0.000 -0.502 24.057) 24.062 3.450 ( 0.000 -0.752 -2.998) 3.091 4.451 ( -0.000 0.808 -0.008) 0.808 4.466 ( 0.000 -1.188 0.064) 1.190 4.485 ( -0.000 0.749 -0.041) 0.751 4.514 ( 0.000 1.873 -3.380) 3.864 4.516 ( -0.000 0.741 0.186) 0.765 4.541 ( 0.000 1.521 -4.260) 4.523 4.560 ( -0.000 0.144 0.463) 0.485 4.589 ( -0.000 0.679 -0.014) 0.679 4.691 ( 0.000 1.155 -2.380) 2.646 4.744 ( 0.000 1.475 -0.792) 1.674 4.790 ( -0.000 -0.998 0.583) 1.156 4.836 ( -0.000 -1.975 4.865) 5.250 ======================= Grid point 234 (72/288) ======================= q-point: ( 0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 6.943 8.604 9.424) 14.527 0.520 ( 9.513 10.270 3.587) 14.451 0.902 ( -1.211 8.324 -7.147) 11.038 1.026 ( 5.864 4.713 5.255) 9.177 1.124 ( 6.968 7.431 -2.439) 10.475 1.178 ( 12.190 16.577 1.880) 20.662 1.214 ( 6.405 13.632 1.359) 15.123 1.310 ( 3.537 14.619 5.334) 15.958 1.449 ( 8.534 13.802 -0.505) 16.235 2.235 ( 2.810 6.039 -24.170) 25.071 2.727 ( 1.232 0.977 21.791) 21.848 3.433 ( -0.353 -0.502 -3.924) 3.971 4.426 ( -1.956 -3.274 1.324) 4.037 4.470 ( 0.723 1.326 -0.002) 1.510 4.500 ( 0.698 1.206 -0.064) 1.395 4.526 ( 0.651 0.776 -5.202) 5.300 4.533 ( 0.678 1.115 -0.924) 1.599 4.567 ( 1.146 1.903 -0.931) 2.409 4.578 ( 1.077 1.945 -0.386) 2.256 4.603 ( 0.606 1.134 -0.172) 1.297 4.689 ( -0.146 -0.356 -0.938) 1.014 4.767 ( -0.151 -0.437 1.293) 1.374 4.785 ( 0.410 1.073 -0.415) 1.221 4.817 ( -0.476 -0.722 2.281) 2.440 ======================= Grid point 235 (73/288) ======================= q-point: ( 0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 7.377 7.579 7.375) 12.894 0.788 ( 8.166 11.173 3.002) 14.161 0.978 ( 0.680 9.660 -6.720) 11.787 1.182 ( 5.566 5.273 3.217) 8.315 1.258 ( 4.460 4.596 -2.104) 6.741 1.345 ( 3.784 3.995 -10.049) 11.456 1.500 ( 2.995 8.507 8.219) 12.202 1.693 ( 16.946 19.605 5.772) 26.549 1.747 ( 12.345 9.548 0.075) 15.607 2.392 ( 9.963 10.957 -16.489) 22.163 2.840 ( 5.453 4.387 17.351) 18.709 3.427 ( 0.711 0.905 -5.039) 5.169 4.350 ( -3.095 -3.800 2.612) 5.553 4.501 ( 0.928 2.007 -0.151) 2.216 4.528 ( 0.803 1.091 -2.069) 2.473 4.535 ( 0.780 1.240 -3.187) 3.508 4.563 ( 1.055 1.619 0.212) 1.944 4.577 ( -0.164 -0.662 -3.768) 3.829 4.623 ( 1.588 1.287 -0.048) 2.045 4.634 ( 1.542 1.803 -0.275) 2.388 4.698 ( 0.584 1.312 2.586) 2.958 4.734 ( -1.732 -1.935 1.997) 3.276 4.777 ( -0.667 -0.960 -0.460) 1.256 4.853 ( 2.094 1.952 -0.440) 2.896 ======================= Grid point 236 (74/288) ======================= q-point: ( 0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 6.721 6.862 5.411) 11.024 1.019 ( 5.531 10.069 0.546) 11.501 1.084 ( 1.636 10.215 -3.558) 10.940 1.316 ( 2.964 5.093 -2.156) 6.275 1.361 ( 2.187 4.481 -5.519) 7.437 1.393 ( 0.150 6.368 -4.284) 7.677 1.593 ( 0.175 1.792 11.092) 11.237 1.972 ( 7.963 3.247 -0.443) 8.611 2.198 ( 18.631 14.935 4.564) 24.310 2.698 ( 14.293 11.172 -10.294) 20.858 3.059 ( 10.177 6.829 12.401) 17.435 3.473 ( 3.710 3.193 -6.098) 7.820 4.260 ( -3.407 -4.082 3.852) 6.565 4.515 ( -0.948 -1.887 -4.559) 5.025 4.540 ( 0.466 2.018 -0.443) 2.118 4.558 ( 0.518 0.296 -2.712) 2.777 4.568 ( 0.660 2.320 -0.169) 2.418 4.604 ( 1.164 1.988 0.241) 2.317 4.656 ( 0.130 -0.300 1.474) 1.509 4.667 ( 0.623 1.638 0.112) 1.756 4.696 ( -0.040 0.038 -0.818) 0.820 4.734 ( 0.493 0.577 2.568) 2.678 4.759 ( 0.289 -0.623 -0.070) 0.690 4.901 ( 1.786 1.036 -0.759) 2.200 ======================= Grid point 237 (75/288) ======================= q-point: ( 0.43 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 4.575 6.205 4.035) 8.702 1.137 ( 1.121 5.834 -5.773) 8.284 1.242 ( 3.271 9.291 1.796) 10.013 1.353 ( 0.139 4.979 -9.008) 10.293 1.443 ( -0.187 8.209 0.944) 8.265 1.475 ( 0.063 7.982 -0.286) 7.987 1.600 ( -1.130 -1.035 10.967) 11.074 2.062 ( 2.029 -1.531 -1.224) 2.821 2.638 ( 16.835 10.972 3.946) 20.479 3.025 ( 13.612 8.553 -7.161) 17.599 3.340 ( 11.925 6.501 9.148) 16.375 3.590 ( 6.311 4.257 -7.135) 10.434 4.173 ( -2.559 -4.024 5.374) 7.185 4.450 ( -2.114 -3.354 -5.496) 6.777 4.553 ( 0.034 -0.630 -0.048) 0.633 4.569 ( -0.281 -0.605 0.029) 0.668 4.598 ( 0.489 2.179 0.326) 2.257 4.627 ( -0.321 0.998 0.800) 1.318 4.654 ( 0.006 2.524 0.633) 2.603 4.700 ( 0.407 0.916 -0.783) 1.272 4.709 ( 0.515 1.772 -0.708) 1.977 4.730 ( 0.137 -0.197 -0.823) 0.857 4.785 ( 1.390 0.621 2.528) 2.951 4.928 ( 0.891 0.050 -0.928) 1.288 ======================= Grid point 238 (76/288) ======================= q-point: ( 0.50 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 1.117 1.758 -1.321) 2.466 1.205 ( 1.228 5.909 0.233) 6.039 1.321 ( -2.428 8.452 -3.672) 9.529 1.445 ( 1.426 6.504 2.356) 7.063 1.495 ( -1.308 5.041 2.670) 5.853 1.531 ( -2.040 6.640 0.002) 6.946 1.617 ( 1.308 3.744 4.020) 5.647 2.024 ( -2.743 -3.254 -2.027) 4.714 2.996 ( 13.247 7.579 3.719) 15.709 3.283 ( 9.397 5.090 -5.042) 11.817 3.600 ( 9.935 4.164 7.433) 13.088 3.708 ( 4.383 1.936 -7.887) 9.228 4.136 ( 1.506 -2.190 6.626) 7.139 4.362 ( -2.617 -4.197 -5.963) 7.747 4.522 ( -1.249 -4.305 0.199) 4.487 4.536 ( -0.217 -3.233 1.394) 3.527 4.630 ( 0.076 2.777 0.506) 2.824 4.643 ( -0.582 2.949 -0.063) 3.007 4.680 ( -0.127 2.227 -0.230) 2.242 4.699 ( -0.330 0.257 -0.479) 0.636 4.734 ( -0.084 1.897 -0.866) 2.087 4.744 ( 0.077 2.179 0.825) 2.331 4.820 ( 1.565 0.720 1.534) 2.306 4.929 ( -0.191 -0.644 -1.000) 1.205 ======================= Grid point 239 (77/288) ======================= q-point: ( 0.57 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 0.855 0.578 0.609) 1.198 1.260 ( -1.532 4.933 0.499) 5.189 1.348 ( -3.512 8.209 -1.475) 9.050 1.460 ( -2.726 2.063 6.114) 7.005 1.538 ( -2.781 5.968 -0.499) 6.603 1.553 ( -2.128 6.209 0.918) 6.627 1.714 ( 3.094 4.616 -1.019) 5.650 1.924 ( -4.222 -1.831 -2.207) 5.104 3.231 ( 5.910 3.342 2.960) 7.406 3.415 ( 3.347 1.358 -1.890) 4.077 3.714 ( 0.786 -1.558 -3.595) 3.997 3.789 ( 4.926 0.801 3.387) 6.031 4.211 ( 5.945 0.379 5.077) 7.827 4.257 ( -3.180 -4.827 -5.423) 7.926 4.457 ( -0.054 -4.846 -0.315) 4.857 4.506 ( 1.091 -4.504 0.455) 4.657 4.651 ( -1.123 2.759 0.219) 2.987 4.658 ( -0.821 2.583 0.135) 2.714 4.686 ( -0.796 1.276 -0.648) 1.638 4.702 ( -0.634 1.683 0.266) 1.818 4.745 ( -0.537 1.535 0.388) 1.672 4.763 ( -0.807 2.285 1.144) 2.680 4.855 ( 1.172 0.680 0.447) 1.427 4.911 ( -0.620 -0.643 -0.863) 1.242 ======================= Grid point 240 (78/288) ======================= q-point: (-0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -1.901 2.322 1.123) 3.205 1.263 ( -1.761 2.444 2.592) 3.974 1.350 ( -3.548 4.741 -1.858) 6.207 1.452 ( -2.729 3.671 4.900) 6.703 1.518 ( -4.595 3.999 -1.329) 6.235 1.566 ( -4.038 6.097 1.277) 7.424 1.706 ( -6.271 0.254 -2.183) 6.645 1.927 ( 4.128 2.688 -1.729) 5.221 3.217 ( -6.771 -4.165 1.062) 8.020 3.451 ( -0.466 -0.640 2.671) 2.786 3.660 ( -3.628 -3.898 -6.545) 8.438 3.846 ( 1.915 -1.255 6.673) 7.055 4.126 ( -4.419 -5.448 -5.521) 8.927 4.337 ( 6.364 0.542 4.541) 7.836 4.449 ( 3.471 -2.735 -1.577) 4.692 4.495 ( 2.672 -3.530 -0.559) 4.463 4.647 ( -2.063 2.157 -0.104) 2.987 4.660 ( -1.917 2.399 0.247) 3.080 4.686 ( -0.440 0.948 -0.334) 1.097 4.703 ( -1.256 1.586 0.064) 2.024 4.749 ( -0.789 1.155 0.730) 1.578 4.766 ( -1.372 1.759 1.664) 2.783 4.849 ( -1.577 -0.708 -0.417) 1.778 4.916 ( 1.243 0.364 -0.209) 1.312 ======================= Grid point 241 (79/288) ======================= q-point: (-0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -7.121 2.937 -1.727) 7.894 1.269 ( -1.702 1.560 6.381) 6.785 1.307 ( -5.766 2.665 -4.784) 7.952 1.429 ( -2.459 -0.116 -3.272) 4.095 1.491 ( -3.249 4.753 6.362) 8.580 1.539 ( -5.629 4.933 0.560) 7.505 1.590 ( -7.358 2.558 0.100) 7.791 2.023 ( 4.276 0.739 -2.020) 4.786 2.980 ( -13.219 -8.018 1.597) 15.542 3.360 ( -7.784 -4.528 4.815) 10.212 3.476 ( -9.696 -6.792 -8.421) 14.528 3.826 ( -5.260 -3.579 6.423) 9.041 4.045 ( 2.874 -1.957 -4.310) 5.538 4.448 ( 5.179 0.177 4.798) 7.062 4.483 ( 3.278 -1.502 -4.153) 5.500 4.531 ( 3.531 -1.142 0.308) 3.724 4.625 ( -2.548 1.607 -0.082) 3.013 4.644 ( -2.453 1.885 0.189) 3.099 4.677 ( -1.971 1.194 -0.345) 2.330 4.698 ( -0.165 0.463 -0.656) 0.820 4.738 ( -1.937 1.053 0.205) 2.214 4.762 ( -0.762 0.459 2.560) 2.710 4.809 ( -1.796 -0.913 -0.243) 2.029 4.936 ( 0.716 -0.126 -0.232) 0.763 ======================= Grid point 242 (80/288) ======================= q-point: (-0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -9.302 0.889 -1.765) 9.510 1.166 ( -10.680 1.265 -5.649) 12.148 1.246 ( -5.562 3.069 6.189) 8.869 1.386 ( -3.779 2.347 -5.354) 6.961 1.444 ( -5.134 -0.005 -3.832) 6.406 1.495 ( -5.695 4.357 -0.303) 7.177 1.554 ( -0.365 1.779 12.425) 12.557 2.056 ( 0.308 -2.292 -1.869) 2.974 2.627 ( -18.005 -9.746 2.346) 20.608 3.137 ( -12.549 -6.177 7.239) 15.748 3.188 ( -13.298 -7.585 -10.213) 18.403 3.664 ( -7.894 -4.162 1.882) 9.120 4.126 ( 5.977 0.547 -0.202) 6.005 4.520 ( 2.880 -0.151 -4.487) 5.334 4.534 ( 3.752 0.054 4.856) 6.137 4.565 ( 0.577 -0.023 -0.176) 0.604 4.596 ( -1.836 0.732 -0.003) 1.977 4.617 ( -2.262 1.136 -0.077) 2.533 4.645 ( -2.764 0.954 -0.378) 2.949 4.701 ( -0.050 -0.006 -1.151) 1.153 4.708 ( -2.101 0.415 0.193) 2.150 4.752 ( -1.019 -0.473 2.067) 2.352 4.776 ( -0.800 -0.958 0.462) 1.331 4.934 ( -0.512 -0.679 -0.348) 0.919 ======================= Grid point 243 (81/288) ======================= q-point: (-0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -10.607 -1.115 -0.938) 10.706 0.966 ( -13.287 2.048 -4.764) 14.263 1.172 ( -7.731 3.243 6.184) 10.418 1.283 ( -8.968 1.352 -3.398) 9.686 1.359 ( -4.159 -0.886 -4.862) 6.459 1.440 ( -4.180 2.922 -5.861) 7.769 1.580 ( -0.806 -1.581 13.030) 13.150 1.965 ( -6.773 -4.839 -1.261) 8.419 2.188 ( -22.413 -9.902 3.036) 24.690 2.857 ( -14.259 -6.312 -13.155) 20.402 2.867 ( -13.477 -4.779 11.344) 18.253 3.520 ( -4.981 -2.082 -0.024) 5.399 4.235 ( 5.677 0.870 0.746) 5.792 4.540 ( -2.337 0.651 0.017) 2.426 4.555 ( 1.010 0.191 -3.029) 3.198 4.570 ( -1.618 0.356 -0.025) 1.657 4.595 ( -0.107 -0.214 0.671) 0.712 4.605 ( -0.397 0.590 -0.571) 0.912 4.614 ( 0.871 -0.005 1.146) 1.440 4.667 ( -2.284 0.018 0.082) 2.285 4.694 ( -0.870 -0.189 -0.464) 1.004 4.725 ( -1.637 -0.750 1.830) 2.568 4.770 ( 0.788 -0.678 0.371) 1.103 4.905 ( -1.862 -0.911 -0.409) 2.113 ======================= Grid point 244 (82/288) ======================= q-point: (-0.07 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -11.593 -1.504 0.993) 11.732 0.742 ( -14.626 2.410 -2.721) 15.070 1.077 ( -7.710 2.640 5.758) 9.979 1.119 ( -8.275 -2.593 -4.536) 9.787 1.257 ( -6.067 -0.466 -2.351) 6.523 1.367 ( -7.107 2.855 -7.634) 10.814 1.501 ( -8.056 -4.145 8.668) 12.539 1.679 ( -25.612 -7.408 3.924) 26.949 1.743 ( -14.198 -5.328 -0.506) 15.173 2.557 ( -11.219 -3.444 -18.400) 21.825 2.665 ( -8.716 -1.224 18.047) 20.078 3.456 ( -1.315 -0.410 -1.181) 1.814 4.337 ( 5.088 0.653 0.864) 5.202 4.502 ( -2.286 0.207 0.032) 2.296 4.531 ( -2.088 0.012 -0.051) 2.089 4.559 ( -1.577 0.001 -0.577) 1.679 4.568 ( -0.476 0.114 -2.110) 2.166 4.607 ( -0.605 -0.578 -2.068) 2.231 4.619 ( -1.348 -0.471 0.055) 1.429 4.633 ( -1.846 0.025 -0.186) 1.855 4.691 ( 0.099 0.089 -0.011) 0.133 4.711 ( 1.432 0.123 3.161) 3.473 4.781 ( 0.840 -0.352 0.326) 0.968 4.854 ( -2.919 -0.689 -0.325) 3.016 ======================= Grid point 248 (83/288) ======================= q-point: ( 0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -0.000 10.479 2.549) 10.784 0.556 ( -0.000 10.350 8.497) 13.391 0.980 ( 0.000 6.658 -6.598) 9.373 1.026 ( -0.000 4.417 5.956) 7.415 1.133 ( 0.000 9.537 -9.616) 13.544 1.198 ( -0.000 4.715 -0.193) 4.719 1.357 ( -0.000 25.690 9.387) 27.351 1.474 ( -0.000 19.602 6.457) 20.638 1.548 ( -0.000 17.315 -1.354) 17.368 2.248 ( 0.000 10.156 -22.529) 24.712 2.766 ( -0.000 1.965 20.491) 20.585 3.425 ( 0.000 -0.123 -4.606) 4.608 4.411 ( -0.000 -3.931 2.048) 4.432 4.474 ( -0.000 1.441 0.014) 1.441 4.506 ( -0.000 1.400 -0.098) 1.403 4.519 ( 0.000 0.774 -6.167) 6.215 4.538 ( -0.000 1.346 0.257) 1.370 4.577 ( 0.000 1.567 -2.012) 2.550 4.589 ( 0.000 2.253 -0.889) 2.422 4.608 ( -0.000 1.276 -0.022) 1.276 4.689 ( -0.000 0.562 1.319) 1.434 4.762 ( -0.000 -1.401 0.751) 1.589 4.796 ( -0.000 0.904 -0.044) 0.905 4.820 ( -0.000 0.623 0.844) 1.049 ======================= Grid point 249 (84/288) ======================= q-point: ( 0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 6.274 9.184 7.317) 13.313 0.727 ( 8.767 9.885 0.737) 13.233 1.061 ( 1.403 9.451 -5.973) 11.268 1.136 ( 5.634 5.205 4.232) 8.761 1.203 ( 3.348 3.970 -7.431) 9.066 1.312 ( 5.235 5.309 -2.954) 8.020 1.583 ( 1.020 11.277 7.238) 13.439 1.723 ( 3.791 15.075 0.075) 15.544 1.757 ( 4.134 24.677 7.138) 26.019 2.369 ( 4.077 14.626 -17.668) 23.296 2.850 ( 2.372 5.055 17.176) 18.061 3.422 ( 0.166 1.467 -5.396) 5.594 4.358 ( -1.932 -4.287 3.188) 5.681 4.502 ( 1.212 1.832 -0.164) 2.203 4.518 ( 0.362 0.571 -4.587) 4.637 4.531 ( 1.087 1.785 -0.531) 2.156 4.562 ( 0.890 1.405 -0.227) 1.678 4.569 ( -0.250 -0.478 -3.593) 3.633 4.618 ( 0.560 2.033 -0.342) 2.136 4.632 ( 0.975 1.825 -0.154) 2.075 4.710 ( 0.396 1.604 3.063) 3.480 4.739 ( -0.913 -1.797 1.197) 2.345 4.783 ( -1.009 -0.848 -0.079) 1.320 4.848 ( 0.883 2.543 -0.765) 2.798 ======================= Grid point 250 (85/288) ======================= q-point: ( 0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 5.382 7.996 5.712) 11.204 1.008 ( 9.956 10.366 -0.480) 14.381 1.165 ( 0.155 9.430 -5.788) 11.065 1.280 ( 5.281 4.227 -7.307) 9.957 1.333 ( 6.985 5.559 2.332) 9.227 1.443 ( 3.280 7.477 -1.636) 8.327 1.663 ( -2.061 4.855 9.222) 10.623 1.892 ( 4.750 5.808 -1.712) 7.696 2.132 ( 9.876 20.940 7.300) 24.276 2.603 ( 8.738 14.801 -12.496) 21.251 3.012 ( 6.057 7.618 12.902) 16.161 3.451 ( 1.621 3.910 -6.151) 7.467 4.277 ( -2.954 -4.713 4.390) 7.086 4.502 ( -0.812 -2.077 -4.438) 4.967 4.544 ( 0.429 0.441 -2.793) 2.860 4.556 ( 1.302 2.505 -0.700) 2.908 4.579 ( 1.400 2.660 -0.199) 3.013 4.605 ( 0.871 1.904 0.173) 2.101 4.643 ( 1.088 0.290 0.228) 1.149 4.671 ( 1.213 2.140 -0.025) 2.460 4.700 ( -0.847 -1.243 0.198) 1.518 4.740 ( -0.216 0.294 0.814) 0.892 4.760 ( -0.579 0.555 2.050) 2.201 4.885 ( 1.158 1.494 -1.086) 2.180 ======================= Grid point 251 (86/288) ======================= q-point: ( 0.43 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 5.472 6.610 3.132) 9.135 1.177 ( 0.050 5.067 -6.240) 8.038 1.287 ( 5.333 10.139 -0.192) 11.458 1.404 ( 2.159 10.270 -6.116) 12.147 1.507 ( 4.587 6.985 3.126) 8.922 1.561 ( 0.509 9.480 0.944) 9.541 1.659 ( -3.561 2.457 8.272) 9.335 1.986 ( 3.938 -1.230 -1.925) 4.553 2.513 ( 12.410 14.913 5.969) 20.299 2.890 ( 11.162 11.487 -9.027) 18.385 3.239 ( 9.112 7.345 9.527) 15.091 3.535 ( 3.887 5.382 -6.873) 9.556 4.184 ( -3.012 -5.152 5.737) 8.278 4.438 ( -1.898 -3.800 -5.385) 6.859 4.549 ( -0.002 -0.275 -1.049) 1.084 4.578 ( -1.667 -1.254 0.723) 2.208 4.617 ( 0.477 2.369 0.441) 2.456 4.631 ( 1.502 2.281 -0.183) 2.737 4.679 ( 0.611 2.484 1.006) 2.749 4.692 ( 0.948 0.133 -1.546) 1.819 4.717 ( 1.054 2.211 -0.005) 2.449 4.725 ( 0.173 0.666 -1.450) 1.605 4.782 ( 0.387 1.208 3.563) 3.783 4.910 ( 0.964 0.201 -1.195) 1.548 ======================= Grid point 252 (87/288) ======================= q-point: ( 0.50 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 1.018 3.004 -2.346) 3.945 1.221 ( 2.856 4.773 0.278) 5.570 1.446 ( 0.145 11.482 -2.691) 11.794 1.531 ( 0.366 11.235 -0.507) 11.253 1.572 ( -2.202 0.538 9.123) 9.400 1.654 ( -1.647 9.508 0.806) 9.683 1.681 ( -0.610 10.034 -0.410) 10.061 2.001 ( 1.243 -3.373 -2.166) 4.197 2.861 ( 12.568 10.100 5.105) 16.913 3.159 ( 10.450 7.504 -6.691) 14.501 3.482 ( 9.960 4.944 7.492) 13.408 3.645 ( 4.164 3.764 -7.637) 9.478 4.108 ( -0.866 -4.623 7.149) 8.557 4.348 ( -2.431 -4.787 -6.057) 8.094 4.507 ( -2.026 -4.381 0.651) 4.870 4.523 ( -1.762 -3.484 0.962) 4.021 4.645 ( 0.534 1.760 -0.181) 1.849 4.674 ( 0.290 2.594 -0.716) 2.706 4.703 ( 0.471 1.698 -0.322) 1.791 4.714 ( -0.152 2.776 0.179) 2.786 4.752 ( 0.648 2.819 -0.427) 2.924 4.768 ( 0.936 3.076 0.344) 3.233 4.805 ( 0.919 0.741 2.185) 2.483 4.918 ( 0.469 -0.655 -1.139) 1.395 ======================= Grid point 253 (88/288) ======================= q-point: ( 0.57 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 0.175 1.886 0.197) 1.905 1.314 ( 1.084 3.700 2.658) 4.684 1.503 ( -3.966 7.308 -2.884) 8.801 1.549 ( -1.560 3.730 5.985) 7.223 1.636 ( -1.860 8.511 0.489) 8.726 1.694 ( -3.730 10.008 -0.650) 10.701 1.771 ( -1.189 9.733 -0.777) 9.836 1.969 ( -2.107 -0.020 -1.975) 2.888 3.147 ( 9.707 6.436 4.348) 12.432 3.352 ( 6.169 3.607 -4.170) 8.273 3.665 ( 3.833 -0.384 1.818) 4.259 3.705 ( 4.605 0.636 -2.177) 5.133 4.119 ( 4.659 -1.624 6.229) 7.946 4.244 ( -2.535 -5.254 -6.052) 8.406 4.419 ( -1.923 -6.027 0.143) 6.328 4.455 ( -0.846 -5.209 0.762) 5.332 4.668 ( 0.353 1.033 -0.005) 1.092 4.691 ( -0.189 1.631 -0.126) 1.646 4.730 ( -0.891 3.234 -0.448) 3.384 4.734 ( -0.573 2.830 0.933) 3.034 4.779 ( -0.613 2.484 -0.132) 2.562 4.801 ( -0.300 2.541 1.210) 2.831 4.842 ( 1.497 1.446 0.301) 2.103 4.911 ( -0.239 -0.609 -0.938) 1.143 ======================= Grid point 254 (89/288) ======================= q-point: (-0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 0.916 2.079 4.575) 5.108 1.329 ( -1.877 0.748 3.087) 3.690 1.474 ( -4.998 3.932 -3.491) 7.254 1.587 ( -3.409 8.131 2.818) 9.256 1.635 ( -3.635 4.379 -2.682) 6.291 1.730 ( -4.824 10.121 2.411) 11.468 1.815 ( -3.525 6.828 -1.706) 7.871 1.941 ( -2.628 4.337 -1.704) 5.350 3.272 ( -1.953 -0.284 1.654) 2.575 3.436 ( 2.720 1.357 1.209) 3.271 3.647 ( -0.432 -3.311 -4.426) 5.545 3.787 ( 3.522 -2.459 3.895) 5.799 4.133 ( -3.664 -5.463 -4.573) 8.011 4.229 ( 6.975 -0.126 4.124) 8.104 4.358 ( 2.222 -4.565 -0.555) 5.107 4.411 ( 1.891 -4.748 -0.499) 5.135 4.678 ( -0.234 0.661 0.373) 0.794 4.698 ( -0.721 1.183 0.492) 1.470 4.733 ( -1.877 2.584 -0.547) 3.240 4.749 ( -1.394 2.759 0.661) 3.161 4.783 ( -1.185 1.677 0.025) 2.054 4.815 ( -1.214 2.277 1.139) 2.821 4.867 ( -0.515 0.631 -0.116) 0.823 4.903 ( 0.276 0.218 -0.647) 0.736 ======================= Grid point 255 (90/288) ======================= q-point: (-0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -1.991 2.319 4.763) 5.659 1.301 ( -0.918 0.069 4.058) 4.161 1.410 ( -3.380 0.411 -4.688) 5.794 1.540 ( -9.135 6.787 -4.066) 12.085 1.643 ( -4.236 7.417 3.983) 9.424 1.724 ( -7.103 8.381 1.585) 11.100 1.775 ( -7.805 6.252 -0.692) 10.024 1.964 ( 1.722 1.459 -2.349) 3.258 3.116 ( -10.689 -5.936 1.439) 12.311 3.438 ( -4.109 -1.717 4.049) 6.019 3.540 ( -6.487 -5.457 -7.036) 11.017 3.839 ( 3.545 -1.541 7.178) 8.153 3.992 ( -3.686 -5.693 -5.686) 8.850 4.351 ( 6.637 -0.312 4.051) 7.782 4.390 ( 4.498 -2.258 -3.046) 5.883 4.440 ( 5.222 -1.738 -0.037) 5.504 4.672 ( -1.255 0.541 0.181) 1.378 4.697 ( -0.827 1.165 0.556) 1.533 4.716 ( -2.398 1.820 -0.647) 3.079 4.740 ( -2.350 1.801 0.295) 2.975 4.774 ( -1.476 0.958 0.439) 1.813 4.808 ( -2.183 1.778 1.084) 3.017 4.839 ( -2.417 -0.038 -0.130) 2.421 4.918 ( 1.008 -0.100 -0.481) 1.121 ======================= Grid point 256 (91/288) ======================= q-point: (-0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -8.089 -0.114 -0.050) 8.090 1.335 ( -0.005 2.026 7.697) 7.959 1.369 ( -1.954 1.475 -6.269) 6.731 1.422 ( -9.746 4.576 -4.007) 11.488 1.608 ( -8.183 4.368 2.986) 9.745 1.659 ( -8.090 5.607 1.791) 10.005 1.696 ( -8.456 6.489 1.347) 10.743 1.999 ( 2.780 -2.315 -2.228) 4.248 2.831 ( -15.175 -7.023 2.102) 16.853 3.293 ( -9.948 -3.515 6.120) 12.197 3.313 ( -11.130 -5.978 -8.540) 15.250 3.764 ( -7.801 -3.595 1.707) 8.757 4.009 ( 7.363 -0.837 -0.284) 7.415 4.446 ( 4.435 -0.631 -4.632) 6.444 4.461 ( 5.522 -0.243 4.298) 7.001 4.518 ( 4.224 -0.306 0.197) 4.240 4.649 ( -2.163 0.887 -0.015) 2.338 4.680 ( -3.145 1.484 0.248) 3.487 4.698 ( -0.677 0.671 -0.679) 1.170 4.709 ( -2.767 1.014 -0.369) 2.970 4.750 ( -1.792 -0.293 0.796) 1.983 4.782 ( -2.479 0.992 0.943) 2.832 4.793 ( -2.309 -0.654 0.313) 2.420 4.927 ( 0.447 -0.544 -0.510) 0.869 ======================= Grid point 257 (92/288) ======================= q-point: (-0.14 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -9.888 -0.620 0.272) 9.912 1.234 ( -13.692 4.700 -3.447) 14.881 1.343 ( -4.104 2.551 2.469) 5.426 1.366 ( -1.828 -0.088 -3.685) 4.115 1.472 ( -9.993 2.361 -2.377) 10.540 1.575 ( -6.713 1.128 2.761) 7.346 1.623 ( -5.236 1.878 5.483) 7.811 1.990 ( -0.945 -2.631 -1.406) 3.129 2.476 ( -19.453 -5.294 2.459) 20.310 3.030 ( -13.959 -3.976 -10.412) 17.863 3.079 ( -12.824 -1.933 9.173) 15.885 3.604 ( -7.110 -1.861 -0.835) 7.396 4.133 ( 6.942 0.025 1.345) 7.071 4.506 ( 3.654 0.325 -5.165) 6.335 4.548 ( 3.778 -0.293 4.405) 5.811 4.566 ( 1.658 0.223 -0.504) 1.748 4.611 ( -3.227 0.653 -0.147) 3.295 4.635 ( -3.128 0.368 0.355) 3.169 4.663 ( -3.255 0.644 -0.089) 3.319 4.696 ( -0.411 0.322 -1.143) 1.257 4.714 ( -2.047 -0.056 0.391) 2.085 4.751 ( -1.495 -0.461 0.832) 1.771 4.757 ( -1.044 -0.739 0.747) 1.481 4.919 ( -0.704 -0.422 -0.514) 0.968 ======================= Grid point 258 (93/288) ======================= q-point: (-0.07 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -10.966 0.346 1.954) 11.144 1.016 ( -14.710 1.531 -0.756) 14.808 1.220 ( -8.765 -4.465 -4.526) 10.828 1.276 ( -8.978 3.403 3.888) 10.358 1.369 ( -5.937 2.221 -4.004) 7.498 1.475 ( -4.954 0.977 -5.497) 7.464 1.564 ( -3.020 -3.728 9.354) 10.513 1.903 ( -7.704 0.374 -0.496) 7.729 2.079 ( -23.747 -0.769 2.589) 23.900 2.736 ( -14.876 -0.659 -13.072) 19.814 2.874 ( -12.232 1.202 13.359) 18.153 3.494 ( -4.154 -0.174 -2.068) 4.643 4.246 ( 5.990 -0.072 1.494) 6.174 4.546 ( -0.394 0.013 -2.625) 2.655 4.554 ( -1.282 0.447 -1.375) 1.932 4.577 ( -0.778 0.019 -1.061) 1.316 4.583 ( -1.078 -0.357 -0.830) 1.407 4.604 ( -0.997 -0.362 -0.303) 1.103 4.627 ( 0.051 0.577 2.690) 2.752 4.667 ( -2.167 -0.050 0.361) 2.198 4.696 ( -0.635 0.200 0.240) 0.708 4.719 ( -1.713 -0.468 1.489) 2.317 4.759 ( 1.237 -0.183 -0.356) 1.300 4.893 ( -1.998 0.081 -0.438) 2.047 ======================= Grid point 263 (94/288) ======================= q-point: ( 0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -0.000 9.279 1.762) 9.445 0.779 ( -0.000 9.806 5.093) 11.050 1.094 ( 0.000 6.820 -5.936) 9.041 1.143 ( -0.000 5.157 5.485) 7.529 1.226 ( 0.000 4.454 -10.712) 11.601 1.294 ( -0.000 4.938 -0.264) 4.945 1.698 ( -0.000 8.938 8.734) 12.497 1.837 ( 0.000 12.376 -2.774) 12.684 2.000 ( -0.000 26.233 8.657) 27.624 2.470 ( 0.000 18.004 -15.882) 24.008 2.920 ( -0.000 7.651 14.883) 16.734 3.434 ( 0.000 3.410 -5.651) 6.600 4.338 ( -0.000 -4.500 4.065) 6.064 4.506 ( -0.000 1.772 0.038) 1.773 4.512 ( 0.000 0.024 -4.286) 4.286 4.538 ( -0.000 1.819 -0.156) 1.825 4.555 ( 0.000 -0.969 -4.489) 4.593 4.569 ( -0.000 1.687 0.298) 1.713 4.637 ( 0.000 1.920 -0.749) 2.061 4.638 ( -0.000 1.705 -0.032) 1.705 4.718 ( -0.000 -0.958 1.585) 1.852 4.744 ( -0.000 1.049 2.560) 2.767 4.786 ( 0.000 -0.411 0.035) 0.412 4.866 ( 0.000 2.604 -1.165) 2.853 ======================= Grid point 264 (95/288) ======================= q-point: ( 0.36 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 7.782 8.271 5.084) 12.442 0.913 ( 6.135 8.893 -0.409) 10.812 1.211 ( 5.816 5.270 -6.615) 10.265 1.231 ( 0.343 6.257 -5.783) 8.527 1.269 ( 5.779 4.817 3.236) 8.190 1.405 ( 6.345 4.855 -0.927) 8.043 1.763 ( -1.890 3.953 10.261) 11.157 1.927 ( -0.392 7.018 -3.901) 8.040 2.280 ( 1.893 23.753 8.212) 25.204 2.651 ( 2.715 18.311 -13.076) 22.664 3.050 ( 2.217 9.803 11.680) 15.409 3.473 ( 0.378 6.082 -5.868) 8.460 4.282 ( -2.045 -4.807 5.069) 7.278 4.487 ( -0.910 -2.360 -4.343) 5.026 4.537 ( 0.826 1.184 -1.273) 1.925 4.549 ( 1.099 1.646 -1.762) 2.650 4.573 ( 1.648 2.048 -0.392) 2.658 4.603 ( 1.665 1.973 0.244) 2.593 4.641 ( -0.583 -0.152 -0.419) 0.734 4.668 ( 1.275 1.917 -0.051) 2.302 4.701 ( -0.568 -0.919 0.435) 1.165 4.751 ( -0.681 -0.090 -0.198) 0.715 4.787 ( -0.471 1.606 3.115) 3.536 4.889 ( 0.218 1.825 -1.449) 2.341 ======================= Grid point 265 (96/288) ======================= q-point: ( 0.43 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 3.763 7.470 3.044) 8.901 1.180 ( 8.742 6.901 -2.859) 11.498 1.245 ( 3.477 4.088 -5.053) 7.371 1.418 ( 7.149 9.642 -4.105) 12.686 1.454 ( 7.973 4.463 5.265) 10.545 1.583 ( 7.302 6.524 -0.391) 9.800 1.760 ( -3.104 1.905 9.581) 10.250 1.946 ( -0.736 0.760 -4.334) 4.461 2.556 ( 4.023 19.211 7.393) 20.974 2.866 ( 5.050 15.419 -10.571) 19.365 3.221 ( 4.423 9.354 9.006) 13.718 3.545 ( 1.150 7.680 -6.264) 9.978 4.196 ( -3.149 -5.330 6.249) 8.797 4.424 ( -1.919 -3.609 -5.312) 6.702 4.545 ( -0.046 -0.011 -1.079) 1.080 4.590 ( -1.259 -2.547 0.610) 2.906 4.609 ( 2.129 2.398 -0.002) 3.207 4.639 ( 1.439 2.590 -0.150) 2.967 4.663 ( 2.369 1.296 -0.311) 2.718 4.687 ( 0.220 0.290 0.013) 0.365 4.717 ( 1.282 2.212 0.025) 2.556 4.736 ( -0.301 1.157 -1.560) 1.965 4.804 ( -0.355 1.593 3.789) 4.126 4.901 ( 0.153 0.608 -1.585) 1.704 ======================= Grid point 266 (97/288) ======================= q-point: ( 0.50 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 2.805 5.369 -1.289) 6.193 1.231 ( 0.450 3.758 -1.639) 4.124 1.476 ( 8.119 8.117 -0.579) 11.496 1.578 ( 2.033 0.640 7.496) 7.793 1.622 ( 4.218 9.717 -1.028) 10.643 1.747 ( 2.389 8.334 1.856) 8.866 1.784 ( 0.652 7.716 0.194) 7.746 1.922 ( 1.819 -3.627 -3.293) 5.225 2.822 ( 6.467 14.092 6.455) 16.796 3.083 ( 6.831 11.156 -8.412) 15.552 3.408 ( 6.361 6.649 7.134) 11.643 3.632 ( 1.571 6.576 -6.950) 9.696 4.101 ( -2.652 -5.460 7.638) 9.755 4.335 ( -2.679 -4.437 -6.099) 8.005 4.504 ( -2.457 -4.466 0.517) 5.123 4.526 ( -2.321 -3.631 0.906) 4.404 4.648 ( 0.582 0.870 -0.583) 1.198 4.681 ( 1.157 1.971 -1.090) 2.532 4.708 ( 1.526 2.566 -0.165) 2.990 4.733 ( 1.579 2.803 0.345) 3.236 4.757 ( 2.037 1.997 0.563) 2.907 4.774 ( 0.852 3.207 -0.382) 3.340 4.819 ( -0.123 1.492 2.380) 2.812 4.902 ( 0.252 -0.449 -1.437) 1.527 ======================= Grid point 267 (98/288) ======================= q-point: ( 0.57 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -0.477 3.272 -1.643) 3.692 1.318 ( 2.885 4.232 2.128) 5.546 1.541 ( -0.846 -2.831 7.691) 8.239 1.654 ( -0.650 7.181 -2.512) 7.635 1.738 ( 0.042 5.941 -0.954) 6.017 1.835 ( -0.719 9.104 -2.045) 9.359 1.880 ( 0.813 9.295 0.529) 9.345 1.977 ( 3.239 3.721 -0.817) 5.000 3.075 ( 7.983 9.726 5.409) 13.696 3.279 ( 6.605 7.120 -6.176) 11.509 3.581 ( 6.625 2.553 5.547) 9.010 3.675 ( -0.480 1.448 -6.156) 6.342 4.054 ( 1.479 -2.919 7.392) 8.084 4.229 ( -2.896 -4.615 -6.271) 8.308 4.402 ( -3.034 -6.206 0.472) 6.924 4.434 ( -2.726 -5.684 0.767) 6.350 4.670 ( 0.651 1.190 -0.238) 1.377 4.702 ( 0.238 1.189 -0.406) 1.278 4.762 ( 0.878 3.297 0.167) 3.416 4.774 ( -0.369 2.264 1.037) 2.517 4.800 ( 1.054 1.457 1.107) 2.112 4.815 ( 0.446 1.790 -0.747) 1.990 4.845 ( 0.814 2.780 0.280) 2.911 4.903 ( 0.539 -0.046 -0.811) 0.974 ======================= Grid point 268 (99/288) ======================= q-point: ( 0.64 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 0.120 3.017 2.301) 3.796 1.364 ( -1.171 0.399 4.214) 4.392 1.534 ( -0.295 -0.437 0.361) 0.639 1.632 ( -0.765 -0.481 -1.921) 2.123 1.787 ( -3.603 9.126 -2.250) 10.066 1.911 ( -2.921 10.307 1.036) 10.763 1.956 ( -2.642 8.580 -0.172) 8.979 2.044 ( -1.660 6.457 -0.874) 6.724 3.282 ( 4.257 5.740 3.231) 7.843 3.407 ( 2.947 3.563 -1.958) 5.021 3.613 ( -0.873 -3.587 -1.652) 4.045 3.702 ( 3.841 -2.217 1.449) 4.666 4.113 ( 3.318 -1.520 2.177) 4.250 4.143 ( 0.003 -1.588 -2.467) 2.934 4.295 ( -1.271 -6.250 0.009) 6.377 4.345 ( -0.489 -5.852 -0.028) 5.873 4.687 ( 0.066 0.904 0.343) 0.969 4.715 ( -0.123 0.807 0.599) 1.012 4.778 ( -1.118 1.420 -0.355) 1.842 4.795 ( -0.565 2.206 0.358) 2.305 4.809 ( -0.399 0.874 0.072) 0.963 4.842 ( 0.335 1.456 0.411) 1.550 4.884 ( 0.142 2.365 -0.057) 2.370 4.911 ( -0.272 0.925 -0.451) 1.064 ======================= Grid point 269 (100/288) ======================= q-point: (-0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 1.249 2.421 5.762) 6.374 1.334 ( -2.117 -0.576 2.674) 3.459 1.455 ( -4.830 -2.754 -4.153) 6.940 1.691 ( 4.392 2.285 0.349) 4.963 1.772 ( -7.777 8.443 -2.469) 11.741 1.925 ( -6.198 7.585 2.111) 10.020 1.954 ( -6.046 6.405 -0.762) 8.841 2.039 ( -5.220 4.890 -1.138) 7.243 3.242 ( -8.880 -2.409 0.857) 9.241 3.483 ( -0.120 2.449 3.229) 4.055 3.567 ( -2.568 -3.005 -4.256) 5.809 3.726 ( 5.664 -4.238 1.866) 7.316 4.028 ( -5.602 -3.502 -2.062) 6.921 4.241 ( 6.460 0.183 3.124) 7.178 4.283 ( 4.478 -2.724 -1.395) 5.424 4.328 ( 4.663 -3.053 -0.693) 5.617 4.690 ( -0.606 0.367 0.410) 0.818 4.717 ( -0.428 0.566 0.959) 1.193 4.759 ( -1.518 0.306 -0.879) 1.781 4.799 ( -2.036 1.825 0.230) 2.744 4.811 ( -0.793 1.406 0.202) 1.626 4.849 ( -0.710 0.668 0.537) 1.112 4.885 ( -2.032 1.033 -0.000) 2.279 4.911 ( -0.393 0.708 -0.511) 0.957 ======================= Grid point 270 (101/288) ======================= q-point: (-0.21 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -5.165 0.209 0.616) 5.205 1.336 ( 0.007 0.384 3.721) 3.741 1.353 ( 0.260 -1.621 -0.859) 1.853 1.674 ( -10.784 5.480 -2.583) 12.369 1.767 ( -1.996 2.972 1.749) 3.985 1.859 ( -8.170 3.944 0.139) 9.073 1.889 ( -6.126 4.149 0.454) 7.413 1.965 ( -4.980 -0.410 -1.658) 5.264 3.021 ( -12.928 -3.369 1.608) 13.456 3.420 ( -8.440 -3.400 -6.734) 11.320 3.431 ( -7.072 -0.132 5.230) 8.797 3.829 ( 3.701 -2.023 0.293) 4.228 3.897 ( -2.079 -1.267 0.655) 2.521 4.344 ( 5.469 -1.086 -4.122) 6.934 4.361 ( 6.575 0.025 3.428) 7.415 4.421 ( 6.553 -0.419 0.249) 6.572 4.677 ( -1.034 0.080 -0.123) 1.044 4.715 ( -0.590 0.280 0.404) 0.768 4.739 ( -1.336 0.757 0.024) 1.536 4.763 ( -3.226 0.386 0.219) 3.256 4.791 ( -2.822 0.555 0.223) 2.885 4.836 ( -1.866 0.619 0.301) 1.989 4.843 ( -3.361 0.249 0.039) 3.371 4.912 ( 0.422 -0.180 -0.552) 0.718 ======================= Grid point 271 (102/288) ======================= q-point: (-0.14 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -8.569 0.137 0.439) 8.582 1.313 ( 0.690 -1.829 -7.901) 8.139 1.412 ( 1.772 1.533 9.770) 10.047 1.501 ( -12.730 1.209 -0.582) 12.801 1.650 ( -10.057 -1.074 -0.748) 10.142 1.720 ( -9.783 -0.504 0.708) 9.821 1.786 ( -9.452 -0.513 -0.005) 9.466 1.955 ( 2.818 0.824 -0.835) 3.053 2.755 ( -16.095 -0.487 1.792) 16.202 3.211 ( -11.698 -0.817 -7.975) 14.181 3.293 ( -10.639 1.491 7.668) 13.199 3.717 ( -7.501 -0.670 -2.864) 8.057 4.009 ( 7.779 0.282 3.027) 8.352 4.423 ( 5.141 0.030 -5.251) 7.348 4.472 ( 5.469 -0.059 3.905) 6.720 4.516 ( 4.412 -0.040 0.093) 4.413 4.658 ( -1.371 -0.031 -0.357) 1.417 4.692 ( -3.171 -0.009 -0.358) 3.191 4.708 ( -1.838 -0.010 0.150) 1.844 4.727 ( -1.962 0.716 0.212) 2.099 4.741 ( -2.249 -0.577 0.836) 2.468 4.782 ( -3.227 -0.241 -0.411) 3.262 4.797 ( -2.822 -0.148 0.407) 2.855 4.919 ( 0.366 0.111 -0.538) 0.660 ======================= Grid point 272 (103/288) ======================= q-point: (-0.07 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -9.638 1.097 1.834) 9.872 1.241 ( -9.257 -2.671 -4.226) 10.520 1.290 ( -7.857 -3.151 -1.798) 8.654 1.443 ( -4.822 1.517 4.786) 6.961 1.476 ( -5.825 -0.325 -1.507) 6.025 1.543 ( -6.752 -4.288 0.315) 8.004 1.609 ( -6.831 -4.660 1.454) 8.396 1.996 ( -1.068 3.391 -0.143) 3.557 2.472 ( -19.516 4.242 1.736) 20.047 2.984 ( -14.317 2.893 -9.034) 17.174 3.137 ( -12.459 4.199 10.097) 16.577 3.590 ( -6.830 1.213 -3.468) 7.756 4.140 ( 6.670 -0.010 2.609) 7.162 4.494 ( 3.953 0.301 -5.477) 6.761 4.551 ( 2.724 -0.561 2.517) 3.751 4.567 ( 1.922 -0.060 0.094) 1.925 4.613 ( -2.929 -0.695 0.298) 3.025 4.632 ( -3.061 -0.262 -0.156) 3.076 4.668 ( -2.972 -0.548 0.893) 3.151 4.705 ( -1.455 0.604 -0.498) 1.652 4.713 ( -0.943 -0.273 0.665) 1.186 4.739 ( -1.396 -0.257 -0.988) 1.729 4.758 ( -1.351 0.308 0.669) 1.538 4.919 ( -0.706 0.574 -0.512) 1.044 ======================= Grid point 278 (104/288) ======================= q-point: ( 0.36 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -0.000 7.471 1.437) 7.608 0.977 ( -0.000 8.862 2.481) 9.203 1.202 ( 0.000 5.987 -5.320) 8.010 1.258 ( -0.000 4.458 4.866) 6.599 1.276 ( 0.000 4.541 -7.571) 8.829 1.384 ( -0.000 4.185 -0.311) 4.197 1.823 ( -0.000 0.659 11.733) 11.751 1.980 ( 0.000 3.542 -5.694) 6.706 2.514 ( -0.000 22.543 7.914) 23.891 2.798 ( 0.000 19.140 -12.103) 22.646 3.158 ( -0.000 11.383 9.525) 14.842 3.535 ( 0.000 8.776 -5.481) 10.347 4.263 ( -0.000 -4.880 5.829) 7.602 4.465 ( 0.000 -2.609 -4.749) 5.419 4.542 ( -0.000 1.755 0.051) 1.756 4.552 ( 0.000 1.451 -2.205) 2.639 4.574 ( -0.000 1.870 -0.191) 1.880 4.604 ( -0.000 1.701 0.297) 1.727 4.639 ( 0.000 -1.563 -0.334) 1.598 4.673 ( -0.000 1.841 -0.040) 1.841 4.701 ( -0.000 -0.358 0.189) 0.405 4.754 ( 0.000 -0.203 -1.085) 1.103 4.814 ( -0.000 1.747 3.670) 4.064 4.902 ( 0.000 1.460 -1.662) 2.212 ======================= Grid point 279 (105/288) ======================= q-point: ( 0.43 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 10.644 6.309 2.485) 12.620 1.077 ( 2.267 7.964 -0.507) 8.296 1.258 ( 0.102 3.907 -5.619) 6.844 1.359 ( 6.517 5.442 0.102) 8.491 1.375 ( 6.648 5.429 0.626) 8.606 1.490 ( 7.307 3.769 -0.427) 8.234 1.822 ( -1.546 -1.347 11.733) 11.911 1.969 ( -1.620 -0.436 -6.707) 6.913 2.737 ( 0.085 19.574 7.339) 20.905 2.967 ( 0.770 17.303 -10.747) 20.384 3.293 ( 1.034 10.652 7.681) 13.173 3.619 ( -0.309 10.189 -5.482) 11.574 4.204 ( -2.300 -5.168 6.738) 8.797 4.414 ( -1.699 -2.884 -5.404) 6.357 4.549 ( -0.584 0.140 -0.431) 0.740 4.581 ( 0.682 0.710 -0.374) 1.053 4.599 ( 0.604 -0.160 0.374) 0.728 4.626 ( 1.614 0.641 -0.024) 1.737 4.640 ( 1.887 1.619 0.026) 2.486 4.690 ( -0.247 -0.120 -0.084) 0.287 4.711 ( 1.631 1.722 -0.094) 2.374 4.749 ( -0.316 0.965 -1.599) 1.894 4.832 ( -0.378 1.277 3.614) 3.851 4.907 ( -0.268 0.628 -1.760) 1.888 ======================= Grid point 280 (106/288) ======================= q-point: ( 0.50 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 2.162 6.483 -0.804) 6.881 1.265 ( 1.233 4.574 -2.250) 5.244 1.346 ( 12.499 5.364 -0.416) 13.608 1.520 ( 6.233 0.694 6.566) 9.080 1.584 ( 9.144 7.429 -2.592) 12.064 1.682 ( 10.198 3.365 -0.177) 10.740 1.816 ( 0.702 0.909 7.971) 8.054 1.905 ( -2.327 -2.353 -6.760) 7.527 2.929 ( 0.741 15.819 6.603) 17.158 3.124 ( 1.640 14.011 -9.250) 16.869 3.423 ( 2.034 7.824 6.309) 10.255 3.696 ( -0.998 9.220 -6.102) 11.101 4.113 ( -3.317 -5.369 7.961) 10.159 4.334 ( -2.946 -3.198 -6.010) 7.418 4.505 ( -2.566 -4.086 0.527) 4.854 4.532 ( -2.453 -3.513 0.626) 4.330 4.641 ( 1.359 1.316 -0.301) 1.916 4.674 ( 1.514 1.592 -1.012) 2.419 4.692 ( 2.907 1.906 0.156) 3.479 4.716 ( 2.351 1.608 0.656) 2.923 4.753 ( 1.128 1.937 -0.712) 2.352 4.779 ( 1.902 2.662 -0.351) 3.290 4.840 ( -0.455 0.872 2.678) 2.853 4.899 ( -0.491 -0.175 -1.610) 1.692 ======================= Grid point 281 (107/288) ======================= q-point: ( 0.57 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.045 4.711 -4.018) 6.192 1.325 ( 1.696 5.068 2.062) 5.728 1.528 ( 1.026 -2.991 6.894) 7.585 1.647 ( 8.650 4.170 1.980) 9.805 1.737 ( 1.613 -0.635 -4.012) 4.370 1.851 ( 6.457 4.174 -2.099) 7.970 1.906 ( 4.612 5.193 -0.225) 6.949 1.932 ( 6.863 5.235 0.857) 8.674 3.103 ( 2.606 11.872 5.561) 13.366 3.270 ( 3.026 10.436 -7.380) 13.135 3.535 ( 3.237 3.555 4.848) 6.828 3.725 ( -3.091 4.250 -5.739) 7.781 4.037 ( -1.271 -3.129 8.061) 8.739 4.236 ( -3.555 -2.825 -6.063) 7.575 4.400 ( -3.629 -5.922 0.636) 6.975 4.435 ( -3.623 -5.514 0.669) 6.632 4.670 ( 0.797 1.434 -0.277) 1.664 4.707 ( 0.606 1.331 -0.699) 1.621 4.760 ( 2.482 1.538 0.546) 2.970 4.774 ( 2.050 1.188 0.960) 2.556 4.796 ( 1.448 1.967 0.147) 2.447 4.831 ( 0.269 2.056 -0.505) 2.134 4.852 ( 0.981 1.434 0.416) 1.786 4.893 ( 0.527 0.251 -0.621) 0.852 ======================= Grid point 282 (108/288) ======================= q-point: ( 0.64 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -0.754 3.830 -1.319) 4.121 1.395 ( -0.259 2.048 3.478) 4.044 1.506 ( 1.515 -2.139 4.258) 5.001 1.638 ( -2.944 -3.948 -4.389) 6.597 1.854 ( 4.726 5.397 -0.239) 7.178 1.999 ( 3.118 6.743 -1.183) 7.522 2.033 ( 2.456 5.421 1.103) 6.053 2.084 ( 3.895 4.975 -0.361) 6.329 3.275 ( 4.740 8.428 3.929) 10.437 3.403 ( 3.109 7.480 -4.664) 9.347 3.599 ( 0.746 -2.410 1.575) 2.975 3.654 ( -3.075 -2.403 -0.849) 3.994 4.055 ( 2.854 0.893 4.082) 5.060 4.153 ( -2.541 -0.377 -4.413) 5.107 4.276 ( -3.591 -6.294 0.225) 7.249 4.316 ( -3.115 -6.184 0.546) 6.946 4.694 ( 0.385 1.130 0.093) 1.198 4.724 ( 0.123 0.948 0.054) 0.958 4.786 ( 0.653 -0.490 1.129) 1.393 4.813 ( -0.483 0.190 -0.705) 0.876 4.821 ( 0.519 1.294 -0.073) 1.396 4.845 ( 0.982 1.822 -0.082) 2.071 4.897 ( 1.153 2.070 0.042) 2.370 4.917 ( 0.844 1.086 -0.120) 1.381 ======================= Grid point 283 (109/288) ======================= q-point: (-0.29 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -0.128 2.193 1.413) 2.612 1.364 ( -2.195 -1.960 2.906) 4.136 1.511 ( -4.127 -0.419 -1.797) 4.521 1.607 ( 5.344 -0.623 -0.657) 5.420 1.924 ( -2.158 4.250 -0.833) 4.839 2.064 ( -2.164 4.344 0.132) 4.855 2.080 ( -2.328 3.218 0.444) 3.997 2.145 ( -1.542 3.112 -0.461) 3.503 3.379 ( -6.168 3.249 0.016) 6.971 3.495 ( 4.125 4.171 2.290) 6.297 3.543 ( 1.316 -1.572 -0.118) 2.054 3.615 ( 0.430 -5.903 -1.811) 6.190 4.094 ( -3.611 0.774 -0.775) 3.773 4.164 ( 3.789 1.911 1.405) 4.470 4.190 ( 2.127 -3.446 0.120) 4.051 4.235 ( 0.968 -4.841 -0.811) 5.003 4.702 ( -0.317 0.369 0.305) 0.574 4.728 ( -0.316 0.275 0.453) 0.618 4.781 ( -1.211 -0.209 -0.499) 1.326 4.809 ( 1.201 0.104 0.151) 1.215 4.838 ( -0.650 0.982 0.076) 1.180 4.864 ( -0.330 0.677 0.012) 0.753 4.919 ( -0.547 0.963 0.023) 1.108 4.930 ( -0.361 0.705 -0.121) 0.801 ======================= Grid point 284 (110/288) ======================= q-point: (-0.21 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -0.500 -1.978 0.270) 2.058 1.332 ( 0.166 -0.989 0.137) 1.013 1.426 ( -5.440 2.083 2.180) 6.220 1.710 ( 6.071 -0.202 -1.507) 6.258 1.865 ( -7.302 0.666 -0.271) 7.337 2.004 ( -6.700 -0.537 0.352) 6.731 2.024 ( -6.148 0.116 -0.102) 6.150 2.092 ( -6.285 0.289 -0.214) 6.295 3.215 ( -11.425 -0.129 1.120) 11.480 3.503 ( -5.081 -2.111 -4.391) 7.040 3.545 ( -3.375 2.320 3.583) 5.442 3.670 ( 9.442 -0.533 -0.385) 9.465 3.996 ( -6.476 0.608 1.102) 6.597 4.234 ( 4.758 -1.388 -3.045) 5.817 4.261 ( 5.916 0.775 1.703) 6.205 4.299 ( 7.076 0.284 0.525) 7.102 4.693 ( -0.828 -0.120 -0.040) 0.838 4.722 ( -0.400 -0.357 0.070) 0.541 4.761 ( -1.064 0.409 0.653) 1.314 4.817 ( -2.392 -0.045 0.039) 2.393 4.829 ( 0.018 -0.118 -0.172) 0.210 4.850 ( -0.958 -0.097 -0.245) 0.994 4.896 ( -2.434 -0.012 -0.009) 2.434 4.920 ( -1.066 0.109 -0.089) 1.076 ======================= Grid point 285 (111/288) ======================= q-point: (-0.14 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -1.048 -2.931 -5.572) 6.383 1.290 ( -3.647 0.123 0.861) 3.749 1.416 ( 0.106 2.324 7.354) 7.714 1.689 ( -10.159 -3.636 -0.372) 10.797 1.748 ( -3.141 -4.587 -1.143) 5.676 1.854 ( -7.395 -4.665 -0.766) 8.777 1.885 ( -7.180 -3.831 -0.466) 8.152 1.977 ( -4.302 1.207 0.754) 4.531 3.020 ( -13.043 2.751 1.379) 13.401 3.373 ( -8.035 0.831 -5.726) 9.902 3.489 ( -7.348 3.916 6.318) 10.452 3.778 ( 1.888 -0.714 -6.670) 6.969 3.943 ( -0.433 3.342 6.571) 7.385 4.317 ( 6.102 -0.097 -4.885) 7.816 4.381 ( 6.212 0.856 2.663) 6.813 4.422 ( 6.409 0.403 0.435) 6.436 4.676 ( -1.020 -0.121 -0.335) 1.080 4.709 ( -0.469 -0.595 -0.491) 0.902 4.748 ( -1.399 -0.537 1.500) 2.120 4.762 ( -3.158 -0.463 0.060) 3.192 4.790 ( -2.880 -0.601 0.128) 2.945 4.830 ( -1.996 -0.944 -0.798) 2.348 4.843 ( -3.233 -0.322 0.036) 3.249 4.913 ( 0.331 0.396 -0.281) 0.587 ======================= Grid point 286 (112/288) ======================= q-point: (-0.07 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -6.949 0.025 0.504) 6.967 1.253 ( -0.858 -1.409 -6.393) 6.602 1.447 ( -9.785 -5.597 4.102) 11.995 1.466 ( -0.035 -0.010 7.484) 7.484 1.563 ( -8.262 -6.040 -4.254) 11.083 1.652 ( -9.250 -5.702 -0.197) 10.868 1.688 ( -8.681 -6.532 -0.644) 10.883 2.011 ( 2.533 2.691 0.166) 3.699 2.827 ( -15.291 6.430 1.429) 16.649 3.227 ( -10.883 4.393 -6.388) 13.362 3.401 ( -10.176 6.098 8.123) 14.378 3.719 ( -6.038 2.297 -6.255) 8.993 4.041 ( 5.523 1.534 5.217) 7.751 4.408 ( 5.293 0.290 -5.520) 7.653 4.488 ( 4.761 0.517 3.148) 5.731 4.518 ( 4.169 0.230 0.083) 4.176 4.648 ( -2.041 -0.755 -0.247) 2.190 4.678 ( -2.903 -1.368 -0.172) 3.214 4.703 ( -1.391 -0.506 0.256) 1.502 4.714 ( -1.772 -1.303 0.190) 2.207 4.748 ( -2.022 0.122 0.591) 2.110 4.772 ( -2.839 -1.233 -0.916) 3.228 4.793 ( -2.246 0.537 0.289) 2.328 4.927 ( 0.400 0.643 -0.524) 0.921 ======================= Grid point 293 (113/288) ======================= q-point: ( 0.43 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -0.000 5.205 1.276) 5.359 1.145 ( -0.000 7.736 0.328) 7.743 1.289 ( 0.000 4.596 -4.811) 6.653 1.347 ( -0.000 2.895 4.216) 5.114 1.365 ( 0.000 6.453 -3.397) 7.292 1.454 ( -0.000 2.953 -0.294) 2.968 1.829 ( -0.000 -3.752 12.323) 12.882 1.953 ( 0.000 -3.198 -7.966) 8.584 2.934 ( -0.000 17.240 6.629) 18.471 3.113 ( 0.000 16.309 -10.040) 19.152 3.401 ( -0.000 9.600 6.458) 11.570 3.722 ( 0.000 11.231 -5.143) 12.353 4.187 ( -0.000 -5.000 7.295) 8.844 4.398 ( 0.000 -1.926 -5.791) 6.103 4.569 ( -0.000 -0.606 0.156) 0.626 4.574 ( -0.000 1.401 0.048) 1.401 4.594 ( -0.000 -2.098 0.518) 2.161 4.607 ( -0.000 1.522 -0.216) 1.537 4.636 ( -0.000 1.378 0.285) 1.407 4.688 ( 0.000 -0.835 -0.358) 0.908 4.708 ( -0.000 1.574 -0.052) 1.575 4.760 ( 0.000 1.400 -1.808) 2.286 4.851 ( -0.000 0.660 3.341) 3.406 4.911 ( 0.000 0.088 -1.767) 1.770 ======================= Grid point 294 (114/288) ======================= q-point: ( 0.50 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 11.392 3.905 1.198) 12.102 1.219 ( 0.531 6.690 -2.344) 7.109 1.330 ( 0.290 4.492 -2.340) 5.074 1.431 ( 5.608 1.417 4.410) 7.274 1.492 ( 7.292 6.313 -2.203) 9.893 1.547 ( 7.459 2.157 -0.208) 7.767 1.808 ( 0.353 -3.700 10.626) 11.257 1.888 ( -1.031 -4.474 -8.082) 9.295 3.092 ( -0.626 13.859 5.584) 14.955 3.242 ( -0.411 13.805 -8.857) 16.407 3.492 ( 0.029 6.537 5.544) 8.571 3.808 ( -1.510 10.031 -5.638) 11.606 4.129 ( -2.504 -4.772 8.127) 9.751 4.351 ( -2.544 -1.180 -5.892) 6.525 4.514 ( -2.783 -3.821 0.751) 4.786 4.546 ( -2.674 -2.473 0.510) 3.677 4.624 ( 2.425 1.551 0.225) 2.888 4.651 ( 2.696 1.182 -0.059) 2.945 4.665 ( 1.484 1.144 -0.325) 1.902 4.693 ( 1.590 0.529 0.096) 1.679 4.741 ( 1.830 1.288 -0.309) 2.259 4.778 ( 0.678 2.165 -1.340) 2.635 4.857 ( -0.316 0.180 2.697) 2.722 4.902 ( -0.408 -0.490 -1.568) 1.693 ======================= Grid point 295 (115/288) ======================= q-point: ( 0.57 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 0.752 5.388 -4.626) 7.141 1.357 ( 2.767 4.315 -0.166) 5.129 1.426 ( 10.586 2.507 1.088) 10.933 1.527 ( 4.735 -2.103 7.674) 9.259 1.667 ( 5.350 -0.014 -2.456) 5.887 1.726 ( 10.585 3.161 -0.856) 11.080 1.839 ( 4.454 -1.007 -4.351) 6.307 1.856 ( 5.217 0.298 4.011) 6.587 3.209 ( -0.326 9.950 4.119) 10.773 3.344 ( -0.127 10.944 -7.108) 13.051 3.547 ( 0.257 2.276 4.488) 5.039 3.830 ( -4.308 5.173 -5.457) 8.666 4.057 ( -2.403 -2.372 7.915) 8.605 4.276 ( -3.958 -0.079 -5.403) 6.698 4.411 ( -3.945 -5.186 0.820) 6.567 4.453 ( -4.153 -4.227 0.667) 5.963 4.670 ( 1.005 1.478 -0.160) 1.795 4.700 ( 1.740 1.112 -0.593) 2.148 4.719 ( 3.235 0.585 0.509) 3.327 4.744 ( 2.853 1.038 0.170) 3.041 4.783 ( 1.750 1.011 -0.384) 2.057 4.826 ( 2.283 2.128 -0.220) 3.129 4.857 ( -0.284 0.327 0.819) 0.926 4.887 ( -0.118 -0.577 -0.573) 0.822 ======================= Grid point 296 (116/288) ======================= q-point: ( 0.64 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -0.595 4.558 -5.284) 7.004 1.420 ( 1.119 2.835 0.658) 3.119 1.470 ( -0.349 -4.835 6.087) 7.782 1.638 ( -1.348 -2.345 -2.336) 3.574 1.734 ( 12.244 1.432 1.054) 12.372 1.934 ( 9.186 3.015 -0.925) 9.712 1.973 ( 8.304 1.557 -0.955) 8.503 2.010 ( 8.373 1.917 1.460) 8.713 3.298 ( 1.643 5.224 2.161) 5.887 3.437 ( 1.262 8.254 -4.738) 9.601 3.562 ( 0.693 -2.125 2.707) 3.511 3.737 ( -7.520 -1.127 -1.138) 7.689 4.047 ( 0.391 0.981 3.336) 3.499 4.209 ( -3.780 2.124 -3.843) 5.794 4.290 ( -4.291 -4.758 0.635) 6.438 4.334 ( -4.854 -4.182 0.796) 6.456 4.695 ( 0.649 0.940 -0.222) 1.163 4.727 ( 0.590 0.724 -0.435) 1.030 4.763 ( 1.578 -0.597 0.859) 1.893 4.800 ( 2.285 0.629 -0.091) 2.372 4.814 ( 1.153 0.194 -0.201) 1.186 4.852 ( -0.340 0.727 -0.309) 0.860 4.884 ( 2.148 1.241 -0.093) 2.482 4.901 ( 1.684 0.216 0.239) 1.715 ======================= Grid point 297 (117/288) ======================= q-point: (-0.29 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -1.478 2.228 -2.121) 3.412 1.380 ( -2.567 -3.622 0.715) 4.496 1.504 ( 4.954 -1.286 -0.576) 5.150 1.587 ( -3.476 2.086 1.110) 4.204 1.911 ( 6.115 0.069 0.508) 6.136 2.070 ( 4.225 0.594 -0.524) 4.299 2.084 ( 3.397 -0.615 0.021) 3.452 2.137 ( 4.329 0.124 0.344) 4.344 3.380 ( 5.438 -1.445 -0.081) 5.627 3.534 ( 1.977 5.468 -2.126) 6.191 3.542 ( -1.068 -0.929 0.037) 1.416 3.581 ( -6.784 -3.230 2.012) 7.778 4.085 ( 3.402 -0.901 0.247) 3.527 4.182 ( -2.726 1.456 -0.496) 3.130 4.195 ( -2.491 1.147 -0.496) 2.787 4.220 ( -4.519 -1.683 0.763) 4.882 4.706 ( 0.130 -0.072 -0.132) 0.199 4.734 ( -0.149 -0.045 -0.171) 0.231 4.778 ( 1.118 -0.336 -0.025) 1.167 4.808 ( -0.849 0.347 0.142) 0.928 4.839 ( 1.063 -0.034 -0.036) 1.065 4.864 ( 0.732 0.014 0.004) 0.732 4.919 ( 1.084 -0.002 -0.006) 1.084 4.928 ( 0.979 0.017 0.047) 0.980 ======================= Grid point 298 (118/288) ======================= q-point: (-0.21 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -1.808 -3.640 0.303) 4.075 1.333 ( -0.869 0.415 -2.242) 2.440 1.530 ( -2.127 0.884 1.371) 2.681 1.607 ( 3.628 1.532 -0.263) 3.947 1.930 ( -1.873 -3.546 0.361) 4.027 2.062 ( -2.870 -4.733 -0.212) 5.539 2.078 ( -1.807 -3.197 0.043) 3.673 2.148 ( -1.517 -2.817 0.137) 3.203 3.379 ( -4.736 -4.455 0.062) 6.502 3.477 ( 1.214 -2.830 -0.946) 3.222 3.544 ( 1.352 1.977 0.051) 2.395 3.629 ( 1.847 4.991 0.659) 5.363 4.102 ( -2.236 -0.510 0.485) 2.344 4.152 ( 1.470 -1.914 -0.719) 2.519 4.189 ( 2.132 3.660 -0.034) 4.235 4.241 ( 1.941 4.470 0.301) 4.883 4.700 ( -0.358 -0.579 -0.171) 0.702 4.724 ( -0.417 -0.566 -0.203) 0.732 4.787 ( -0.753 0.517 0.610) 1.099 4.806 ( 0.864 -0.246 -0.399) 0.983 4.838 ( -0.641 -1.049 -0.033) 1.230 4.864 ( -0.379 -0.713 -0.026) 0.808 4.919 ( -0.553 -0.971 -0.012) 1.118 4.931 ( -0.323 -0.596 0.057) 0.681 ======================= Grid point 299 (119/288) ======================= q-point: (-0.14 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -0.722 -2.939 -2.624) 4.006 1.322 ( -0.621 -0.332 0.488) 0.857 1.497 ( -3.943 2.537 3.677) 5.958 1.674 ( 3.404 -2.707 -2.671) 5.104 1.794 ( -7.043 -7.297 1.435) 10.242 1.908 ( -6.597 -8.311 -1.005) 10.658 1.960 ( -5.956 -6.066 0.155) 8.503 2.047 ( -4.858 -4.513 0.380) 6.642 3.243 ( -8.957 1.940 1.152) 9.237 3.450 ( -1.204 -1.665 -3.148) 3.759 3.604 ( 0.400 2.975 2.776) 4.088 3.705 ( 2.726 3.404 -1.749) 4.699 4.057 ( -4.730 4.516 3.398) 7.370 4.204 ( 5.725 -0.443 -3.886) 6.934 4.292 ( 5.598 2.335 0.466) 6.084 4.337 ( 4.523 3.012 0.874) 5.504 4.686 ( -0.540 -0.455 -0.260) 0.753 4.710 ( -0.483 -0.637 -0.183) 0.820 4.770 ( -1.526 -0.477 1.076) 1.927 4.796 ( -1.879 -2.031 -0.305) 2.784 4.809 ( -0.632 -1.166 -0.063) 1.328 4.843 ( -1.074 -0.915 -0.511) 1.501 4.885 ( -2.036 -0.997 -0.037) 2.268 4.914 ( -0.395 -0.555 0.047) 0.683 ======================= Grid point 300 (120/288) ======================= q-point: (-0.07 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -0.340 -1.743 -3.963) 4.343 1.292 ( -3.075 -0.648 1.217) 3.370 1.467 ( -1.658 -0.589 6.217) 6.462 1.552 ( -7.979 -8.746 -2.332) 12.067 1.623 ( -6.521 -6.337 0.833) 9.131 1.707 ( -6.358 -8.456 -1.546) 10.692 1.778 ( -8.135 -5.824 -0.279) 10.009 1.978 ( 1.660 -1.417 0.298) 2.203 3.116 ( -10.811 5.602 1.463) 12.264 3.395 ( -5.029 2.512 -4.139) 6.980 3.610 ( -5.203 5.400 6.411) 9.866 3.765 ( 1.303 1.643 -6.864) 7.178 4.054 ( -2.119 5.394 6.128) 8.434 4.303 ( 6.241 0.340 -5.206) 8.134 4.413 ( 5.739 1.711 1.199) 6.108 4.445 ( 4.747 1.902 0.915) 5.195 4.669 ( -1.122 -0.445 -0.190) 1.222 4.693 ( -0.814 -1.007 -0.226) 1.314 4.724 ( -2.303 -1.948 0.920) 3.154 4.735 ( -2.230 -2.033 -0.554) 3.068 4.775 ( -1.701 -1.287 0.613) 2.219 4.799 ( -2.244 -1.874 -0.561) 2.977 4.840 ( -2.388 0.262 0.051) 2.402 4.918 ( 0.862 0.122 -0.406) 0.960 ======================= Grid point 308 (121/288) ======================= q-point: ( 0.50 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -0.000 2.594 1.159) 2.841 1.278 ( 0.000 5.735 -1.944) 6.055 1.347 ( 0.000 2.908 -4.485) 5.345 1.399 ( -0.000 0.994 3.704) 3.835 1.498 ( -0.000 1.533 -0.231) 1.550 1.499 ( -0.000 7.396 -0.473) 7.411 1.775 ( -0.000 -5.503 9.565) 11.035 1.831 ( 0.000 -5.235 -7.121) 8.838 3.225 ( -0.000 9.903 3.748) 10.589 3.359 ( 0.000 11.506 -7.592) 13.785 3.552 ( -0.000 3.242 5.182) 6.113 3.906 ( 0.000 8.335 -5.913) 10.219 4.124 ( -0.000 -3.880 8.236) 9.104 4.365 ( 0.000 0.876 -5.629) 5.697 4.506 ( -0.000 -4.412 1.368) 4.620 4.572 ( -0.000 -1.685 0.904) 1.912 4.596 ( -0.000 0.773 0.034) 0.773 4.631 ( 0.000 0.863 -0.261) 0.902 4.659 ( -0.000 0.756 0.304) 0.815 4.683 ( 0.000 0.558 -0.544) 0.779 4.733 ( -0.000 0.913 -0.074) 0.916 4.791 ( 0.000 2.139 -1.814) 2.805 4.862 ( -0.000 -0.494 2.574) 2.621 4.897 ( 0.000 -0.768 -1.383) 1.582 ======================= Grid point 309 (122/288) ======================= q-point: ( 0.57 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 11.437 1.215 0.741) 11.526 1.316 ( 0.023 4.261 -4.685) 6.333 1.396 ( 2.321 2.163 -1.827) 3.661 1.450 ( 3.784 -1.022 4.672) 6.099 1.567 ( 5.973 0.570 -0.419) 6.015 1.612 ( 5.608 5.433 -0.650) 7.835 1.741 ( 2.226 -5.599 -1.135) 6.132 1.793 ( 1.517 -1.849 2.377) 3.372 3.298 ( -0.536 4.869 1.420) 5.100 3.440 ( -0.629 8.540 -5.815) 10.351 3.569 ( -0.570 -0.645 5.048) 5.121 3.934 ( -3.159 4.107 -5.443) 7.515 4.087 ( -1.766 -2.184 6.892) 7.443 4.343 ( -3.141 2.501 -4.555) 6.072 4.433 ( -3.409 -4.104 1.613) 5.574 4.499 ( -4.538 -2.013 0.582) 4.998 4.648 ( 3.097 0.607 0.114) 3.158 4.666 ( 2.918 0.380 -0.009) 2.943 4.683 ( 1.222 0.635 -0.247) 1.398 4.703 ( 2.249 0.319 -0.000) 2.271 4.758 ( 1.822 0.507 -0.247) 1.907 4.815 ( 0.939 1.801 -1.710) 2.655 4.859 ( 0.081 -0.860 1.793) 1.990 4.885 ( -0.381 -0.405 -0.542) 0.776 ======================= Grid point 310 (123/288) ======================= q-point: (-0.36 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 1.051 3.550 -6.315) 7.320 1.387 ( 5.349 -1.299 -0.132) 5.506 1.441 ( 1.185 -1.758 -0.858) 2.287 1.506 ( 9.532 -2.180 5.346) 11.144 1.647 ( 1.903 1.057 -0.272) 2.194 1.779 ( 9.774 0.660 0.520) 9.810 1.809 ( 9.849 -0.284 -4.038) 10.648 1.873 ( 7.503 0.011 3.964) 8.486 3.309 ( -0.169 -1.289 -0.896) 1.579 3.491 ( -0.172 5.173 -4.030) 6.559 3.541 ( -0.770 -4.027 4.987) 6.456 3.861 ( -6.917 1.087 -1.840) 7.240 4.054 ( -0.845 -2.103 1.902) 2.958 4.304 ( -4.194 4.049 -2.888) 6.506 4.332 ( -4.463 -2.547 2.049) 5.532 4.400 ( -5.251 -0.386 0.253) 5.271 4.688 ( 0.956 0.086 -0.278) 0.999 4.709 ( 1.976 0.081 -0.268) 1.996 4.723 ( 2.751 -0.177 0.232) 2.766 4.755 ( 3.147 -0.023 -0.056) 3.147 4.791 ( 1.565 0.059 -0.291) 1.593 4.848 ( 1.706 0.063 -1.635) 2.364 4.862 ( 0.997 -0.424 0.474) 1.183 4.880 ( 0.092 0.379 1.071) 1.140 ======================= Grid point 311 (124/288) ======================= q-point: (-0.29 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -2.065 -2.665 1.676) 3.765 1.390 ( -1.682 -0.935 -5.556) 5.880 1.408 ( 3.509 -1.384 -2.586) 4.573 1.666 ( 0.039 3.654 2.749) 4.573 1.738 ( 11.411 -1.185 1.587) 11.581 1.942 ( 9.187 -2.415 0.600) 9.518 1.964 ( 8.298 -1.657 -2.290) 8.766 2.014 ( 8.263 -2.093 1.740) 8.699 3.272 ( 1.699 -7.378 -2.599) 8.005 3.490 ( 0.514 -6.424 5.091) 8.213 3.533 ( 1.617 1.774 -2.783) 3.675 3.742 ( -8.299 2.851 -0.085) 8.775 4.021 ( 0.954 -4.125 -1.350) 4.444 4.245 ( -4.132 -0.293 3.116) 5.184 4.279 ( -3.824 5.230 -1.501) 6.650 4.327 ( -4.994 3.809 -0.449) 6.297 4.695 ( 0.572 -0.810 -0.189) 1.009 4.729 ( 0.512 -0.414 -0.198) 0.687 4.755 ( 1.391 -0.167 -0.494) 1.486 4.801 ( 2.430 -0.751 -0.023) 2.543 4.814 ( 1.331 -0.097 -0.149) 1.343 4.853 ( -0.091 -0.489 -0.042) 0.499 4.885 ( 1.998 -1.237 0.031) 2.350 4.902 ( 1.570 -0.126 0.437) 1.634 ======================= Grid point 312 (125/288) ======================= q-point: (-0.21 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -2.356 -4.063 1.703) 4.996 1.354 ( -1.204 -0.406 -3.772) 3.980 1.461 ( 4.299 -0.764 -4.174) 6.041 1.682 ( -3.205 4.586 3.691) 6.702 1.859 ( 4.909 -5.359 0.630) 7.295 2.008 ( 2.494 -6.600 0.111) 7.056 2.023 ( 3.002 -5.250 -0.412) 6.061 2.088 ( 3.844 -5.021 0.419) 6.337 3.237 ( 5.198 -9.520 -3.053) 11.268 3.454 ( 1.797 -6.502 4.888) 8.331 3.577 ( 2.581 0.189 -2.638) 3.696 3.663 ( -4.745 5.487 0.895) 7.309 4.017 ( 3.745 -3.338 -2.976) 5.833 4.197 ( -3.227 1.991 3.969) 5.489 4.272 ( -3.245 6.083 -0.638) 6.924 4.308 ( -2.939 6.259 -0.948) 6.979 4.693 ( 0.241 -0.989 -0.052) 1.020 4.723 ( -0.212 -0.822 -0.081) 0.853 4.773 ( 1.009 -0.092 -1.369) 1.703 4.817 ( 0.938 -1.911 0.015) 2.129 4.825 ( -0.569 0.221 0.575) 0.839 4.847 ( 0.693 -1.486 0.304) 1.668 4.896 ( 1.181 -2.111 -0.012) 2.419 4.919 ( 0.816 -0.936 0.174) 1.254 ======================= Grid point 313 (126/288) ======================= q-point: (-0.14 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -1.626 -2.685 0.912) 3.269 1.329 ( -0.634 -0.396 -2.158) 2.284 1.514 ( 3.323 -1.539 -3.037) 4.758 1.659 ( -3.473 1.049 2.974) 4.691 1.799 ( -2.832 -9.158 -0.154) 9.587 1.905 ( -3.868 -10.199 0.137) 10.909 1.959 ( -2.236 -8.257 0.247) 8.558 2.048 ( -1.491 -6.339 -0.012) 6.512 3.252 ( 5.720 -6.677 -2.137) 9.048 3.434 ( 0.132 -2.278 2.938) 3.720 3.615 ( 1.204 3.172 -1.389) 3.666 3.698 ( 2.460 2.563 0.865) 3.656 4.076 ( 6.110 -1.072 -3.737) 7.242 4.183 ( -2.944 4.158 4.108) 6.545 4.294 ( -0.990 6.167 -0.240) 6.250 4.341 ( 0.108 5.536 -0.644) 5.575 4.685 ( -0.092 -0.747 0.066) 0.756 4.710 ( -0.310 -0.747 -0.190) 0.831 4.775 ( 0.034 -1.591 -0.879) 1.818 4.794 ( -0.914 -2.513 0.261) 2.687 4.809 ( -0.578 -0.934 0.046) 1.099 4.841 ( -0.105 -1.566 0.250) 1.590 4.885 ( 0.165 -2.281 0.051) 2.287 4.914 ( -0.244 -0.687 0.167) 0.748 ======================= Grid point 314 (127/288) ======================= q-point: (-0.07 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -0.707 -1.225 0.000) 1.415 1.312 ( -0.681 -1.180 0.000) 1.362 1.501 ( -2.030 -3.516 -0.000) 4.060 1.560 ( -5.411 -9.372 0.000) 10.822 1.654 ( -3.220 -5.578 -0.000) 6.441 1.715 ( -5.614 -9.724 0.000) 11.228 1.825 ( -3.644 -6.312 0.000) 7.288 1.950 ( -2.373 -4.111 0.000) 4.747 3.263 ( -0.471 -0.815 0.000) 0.941 3.430 ( 0.137 0.237 -0.000) 0.273 3.675 ( 1.767 3.061 0.000) 3.534 3.761 ( 1.420 2.460 -0.000) 2.840 4.173 ( 1.932 3.346 0.000) 3.864 4.191 ( 1.407 2.437 -0.000) 2.814 4.361 ( 2.583 4.474 0.000) 5.166 4.414 ( 2.511 4.349 0.000) 5.022 4.676 ( -0.323 -0.559 -0.000) 0.645 4.695 ( -0.593 -1.027 0.000) 1.186 4.737 ( -1.566 -2.712 -0.000) 3.132 4.743 ( -1.652 -2.861 0.000) 3.304 4.783 ( -1.094 -1.894 -0.000) 2.187 4.808 ( -1.347 -2.334 0.000) 2.695 4.867 ( -0.395 -0.685 -0.000) 0.791 4.906 ( -0.017 -0.030 -0.000) 0.034 ======================= Grid point 324 (128/288) ======================= q-point: (-0.43 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -0.000 -0.207 1.064) 1.084 1.340 ( 0.000 0.736 -2.480) 2.587 1.371 ( 0.000 1.013 -4.436) 4.550 1.412 ( -0.000 -0.894 3.475) 3.588 1.513 ( 0.000 0.046 -0.160) 0.166 1.618 ( 0.000 3.847 -2.763) 4.736 1.655 ( 0.000 -6.972 -1.844) 7.212 1.788 ( -0.000 2.223 5.112) 5.574 3.321 ( 0.000 -1.170 -1.270) 1.726 3.503 ( 0.000 4.722 -4.588) 6.583 3.563 ( -0.000 -3.743 6.145) 7.195 3.988 ( 0.000 2.918 -4.955) 5.750 4.085 ( -0.000 -3.824 4.712) 6.068 4.400 ( 0.000 4.154 -3.623) 5.512 4.436 ( -0.000 -2.833 3.030) 4.148 4.547 ( -0.000 -0.364 0.202) 0.417 4.603 ( -0.000 -0.009 0.013) 0.016 4.639 ( 0.000 0.044 -0.313) 0.316 4.667 ( -0.000 -0.052 0.340) 0.344 4.692 ( 0.000 0.151 -0.397) 0.424 4.742 ( 0.000 0.011 -0.099) 0.100 4.819 ( 0.000 1.150 -2.718) 2.951 4.847 ( -0.000 -1.655 1.409) 2.173 4.890 ( -0.000 0.593 0.561) 0.817 ======================= Grid point 325 (129/288) ======================= q-point: (-0.36 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 11.098 -1.648 0.294) 11.224 1.335 ( 1.183 -2.144 -1.534) 2.889 1.397 ( 2.451 0.199 -5.140) 5.698 1.424 ( 1.434 -3.042 3.933) 5.175 1.567 ( 6.035 -0.232 -0.528) 6.063 1.624 ( 5.401 -5.504 0.688) 7.742 1.678 ( 4.740 2.225 -6.819) 8.598 1.841 ( 0.550 4.631 6.247) 7.796 3.271 ( -0.562 -6.925 -3.183) 7.643 3.506 ( -0.696 -5.246 4.169) 6.736 3.526 ( -0.496 -1.170 -0.994) 1.613 3.972 ( -4.149 1.814 -0.894) 4.615 4.032 ( -0.785 -5.088 -0.859) 5.220 4.387 ( -3.365 -1.038 3.757) 5.149 4.412 ( -3.121 4.892 -2.346) 6.259 4.494 ( -4.553 1.606 -0.330) 4.839 4.647 ( 3.132 -0.673 -0.034) 3.203 4.665 ( 2.865 -0.450 -0.218) 2.908 4.685 ( 1.330 -0.393 0.164) 1.397 4.702 ( 2.090 -0.358 -0.144) 2.126 4.758 ( 1.893 -0.383 -0.138) 1.936 4.822 ( 0.522 -0.853 -1.490) 1.794 4.839 ( 0.479 -0.696 -0.579) 1.025 4.897 ( -0.403 1.075 1.383) 1.798 ======================= Grid point 326 (130/288) ======================= q-point: (-0.29 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 3.447 -5.434 -1.398) 6.585 1.359 ( 0.563 -3.778 1.399) 4.068 1.415 ( 2.074 1.605 -5.893) 6.450 1.470 ( 10.884 -2.691 1.328) 11.290 1.683 ( 6.530 0.692 0.129) 6.568 1.734 ( 10.812 -3.853 0.699) 11.500 1.795 ( 8.550 -1.048 -4.595) 9.763 1.904 ( 1.620 1.795 5.265) 5.794 3.163 ( -0.277 -11.367 -4.171) 12.112 3.423 ( -0.571 -9.743 7.598) 12.369 3.503 ( 0.527 -3.122 -4.061) 5.149 3.884 ( -5.453 -2.287 4.492) 7.426 3.977 ( -1.210 -0.862 -6.861) 7.020 4.328 ( -4.008 1.093 4.629) 6.219 4.398 ( -3.815 5.511 -1.834) 6.949 4.446 ( -4.181 4.160 -0.666) 5.936 4.672 ( 1.093 -1.301 0.172) 1.707 4.704 ( 1.785 -0.709 0.158) 1.927 4.713 ( 2.874 -0.766 -0.485) 3.013 4.742 ( 2.897 -1.203 -0.173) 3.142 4.784 ( 1.469 -0.785 -0.274) 1.688 4.825 ( 1.821 -1.756 -0.558) 2.590 4.842 ( 0.991 -1.135 -1.189) 1.919 4.901 ( -0.509 0.800 1.543) 1.811 ======================= Grid point 327 (131/288) ======================= q-point: (-0.21 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 1.156 -5.828 3.224) 6.760 1.303 ( -0.191 -3.363 -0.736) 3.447 1.439 ( -0.155 3.505 -9.488) 10.115 1.648 ( 10.778 -5.760 1.823) 12.355 1.769 ( 2.029 0.058 1.690) 2.641 1.860 ( 7.464 -4.779 -0.075) 8.863 1.897 ( 5.406 -3.600 -1.123) 6.592 1.944 ( 4.510 -5.153 2.156) 7.180 3.051 ( 2.965 -12.654 -4.097) 13.627 3.347 ( 2.150 -9.732 7.291) 12.349 3.484 ( 3.467 -4.864 -4.995) 7.786 3.786 ( -3.778 -2.358 5.804) 7.316 3.955 ( -0.354 1.746 -7.573) 7.779 4.294 ( -3.584 3.466 5.195) 7.201 4.389 ( -3.492 5.956 -1.747) 7.122 4.427 ( -3.650 5.497 -0.776) 6.644 4.674 ( 0.664 -1.161 0.395) 1.395 4.714 ( 0.440 -1.006 0.497) 1.205 4.749 ( 1.987 -0.452 -1.416) 2.481 4.766 ( 1.819 -2.344 -0.483) 3.006 4.794 ( 1.560 -2.116 -0.336) 2.650 4.835 ( 0.980 -1.875 0.321) 2.140 4.846 ( 1.576 -2.189 -0.502) 2.743 4.903 ( 0.023 0.201 1.078) 1.097 ======================= Grid point 328 (132/288) ======================= q-point: (-0.14 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -1.869 -2.543 4.387) 5.404 1.297 ( 2.347 -3.742 -1.734) 4.745 1.456 ( 0.924 1.916 -8.100) 8.375 1.682 ( 1.440 -9.258 2.132) 9.609 1.745 ( -1.736 -5.966 0.432) 6.228 1.850 ( -0.853 -8.776 0.875) 8.860 1.882 ( 0.706 -8.491 0.648) 8.545 1.980 ( 3.295 -3.066 -0.271) 4.509 3.031 ( 8.600 -9.986 -2.883) 13.490 3.342 ( 5.340 -6.732 5.900) 10.423 3.521 ( 6.950 -3.800 -6.036) 9.959 3.743 ( -1.243 0.265 6.712) 6.831 3.979 ( 2.574 1.984 -7.057) 7.769 4.290 ( -3.044 5.011 5.377) 7.955 4.392 ( -2.660 6.047 -1.694) 6.820 4.425 ( -2.778 5.668 -0.792) 6.361 4.674 ( 0.460 -1.010 0.396) 1.178 4.707 ( -0.184 -0.818 0.449) 0.951 4.756 ( 0.185 -2.073 -1.450) 2.537 4.763 ( 0.930 -2.477 -0.468) 2.687 4.791 ( 1.016 -2.578 -0.449) 2.807 4.825 ( 0.152 -2.203 0.954) 2.406 4.844 ( 1.209 -2.938 -0.065) 3.177 4.911 ( 0.312 0.394 0.583) 0.769 ======================= Grid point 339 (133/288) ======================= q-point: (-0.36 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -0.000 -3.004 1.036) 3.178 1.285 ( 0.000 -5.257 -0.319) 5.266 1.355 ( 0.000 -1.032 -4.711) 4.823 1.389 ( -0.000 -2.637 3.558) 4.429 1.498 ( 0.000 -1.442 -0.094) 1.445 1.515 ( -0.000 -6.836 1.895) 7.094 1.659 ( 0.000 3.715 -11.102) 11.707 1.908 ( -0.000 5.941 6.474) 8.787 3.180 ( 0.000 -11.327 -4.451) 12.170 3.444 ( -0.000 -10.251 8.213) 13.136 3.504 ( 0.000 -3.901 -4.064) 5.633 3.961 ( -0.000 -9.401 3.687) 10.098 4.042 ( 0.000 4.454 -6.371) 7.774 4.420 ( -0.000 -0.167 5.083) 5.086 4.487 ( 0.000 4.986 -2.400) 5.533 4.564 ( 0.000 1.605 -0.686) 1.746 4.595 ( 0.000 -0.788 -0.009) 0.788 4.630 ( 0.000 -0.767 -0.314) 0.829 4.659 ( -0.000 -0.872 0.330) 0.932 4.687 ( -0.000 -0.286 0.142) 0.319 4.732 ( 0.000 -0.889 -0.115) 0.896 4.804 ( 0.000 -1.727 0.227) 1.742 4.830 ( 0.000 -0.006 -2.818) 2.818 4.914 ( -0.000 1.006 1.629) 1.915 ======================= Grid point 340 (134/288) ======================= q-point: (-0.29 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 9.863 -4.540 -0.469) 10.868 1.241 ( 2.628 -6.520 2.457) 7.447 1.363 ( 0.211 -3.310 2.160) 3.958 1.378 ( 3.823 -1.458 -4.039) 5.749 1.518 ( 7.166 -5.720 2.268) 9.445 1.548 ( 7.343 -1.919 -0.186) 7.592 1.691 ( 2.169 2.437 -11.172) 11.639 1.962 ( -1.300 4.404 5.859) 7.444 3.035 ( -0.596 -14.840 -5.031) 15.681 3.337 ( -0.632 -12.899 9.094) 15.796 3.438 ( 0.068 -7.513 -5.014) 9.033 3.857 ( -0.986 -10.421 3.166) 10.936 4.053 ( -2.923 5.405 -5.841) 8.478 4.408 ( -2.603 1.442 5.236) 6.022 4.501 ( -2.696 4.447 -1.881) 5.530 4.539 ( -2.739 2.476 -0.745) 3.767 4.624 ( 2.585 -1.503 0.093) 2.991 4.648 ( 2.723 -1.128 -0.350) 2.968 4.671 ( 1.862 -1.179 0.525) 2.266 4.692 ( 1.014 -0.419 0.029) 1.098 4.742 ( 2.005 -1.253 -0.086) 2.366 4.789 ( 0.243 -1.826 0.515) 1.913 4.823 ( 0.036 -0.527 -3.171) 3.215 4.920 ( -0.459 0.548 1.659) 1.806 ======================= Grid point 341 (135/288) ======================= q-point: (-0.21 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 3.574 -7.332 -1.144) 8.237 1.302 ( 1.301 -2.857 4.740) 5.685 1.372 ( 10.443 -5.402 3.711) 12.329 1.439 ( 4.117 0.371 -8.484) 9.438 1.610 ( 8.945 -7.075 1.827) 11.550 1.680 ( 9.438 -3.031 -0.932) 9.956 1.736 ( 5.063 -2.476 -6.618) 8.693 1.964 ( -2.994 1.795 4.489) 5.686 2.868 ( 1.002 -16.462 -4.886) 17.201 3.220 ( 1.035 -13.323 9.108) 16.172 3.358 ( 2.060 -9.085 -6.213) 11.197 3.751 ( -0.225 -9.286 3.858) 10.058 4.040 ( -3.824 6.174 -5.641) 9.196 4.393 ( -2.803 3.240 5.364) 6.864 4.494 ( -2.860 4.717 -1.880) 5.827 4.523 ( -2.422 3.354 -0.820) 4.218 4.647 ( 1.677 -1.396 0.524) 2.244 4.681 ( 2.160 -1.755 0.240) 2.793 4.692 ( 2.095 -1.023 0.236) 2.343 4.710 ( 2.225 -1.894 -0.460) 2.958 4.757 ( 0.946 -1.782 -0.186) 2.026 4.783 ( 1.533 -2.318 0.481) 2.820 4.810 ( 0.256 -1.472 -2.636) 3.030 4.916 ( -0.612 0.183 1.466) 1.599 ======================= Grid point 342 (136/288) ======================= q-point: (-0.14 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 4.320 -7.081 -0.643) 8.320 1.275 ( -1.645 -1.193 6.510) 6.820 1.462 ( 1.513 1.117 -8.061) 8.277 1.500 ( 7.107 -8.542 -1.252) 11.182 1.644 ( 3.825 -10.008 1.710) 10.849 1.726 ( 3.584 -8.591 -1.550) 9.437 1.785 ( 3.611 -8.504 0.089) 9.239 1.949 ( 0.071 3.221 1.692) 3.639 2.769 ( 7.186 -14.284 -3.520) 16.372 3.169 ( 5.712 -10.767 8.109) 14.639 3.332 ( 6.571 -7.842 -7.477) 12.672 3.696 ( 2.443 -6.664 4.992) 8.678 4.031 ( -3.180 6.394 -5.337) 8.916 4.395 ( -2.547 4.383 5.546) 7.513 4.490 ( -2.800 4.838 -2.660) 6.191 4.517 ( -2.212 3.620 -0.396) 4.261 4.655 ( 0.611 -1.106 0.625) 1.410 4.690 ( 1.448 -2.473 0.580) 2.924 4.709 ( 1.003 -1.778 -0.032) 2.042 4.728 ( 2.031 -2.116 -0.378) 2.957 4.746 ( 0.573 -1.764 -1.276) 2.251 4.780 ( 1.240 -3.089 0.603) 3.383 4.801 ( 0.932 -2.383 -0.984) 2.741 4.915 ( 0.020 0.417 0.990) 1.074 ======================= Grid point 354 (137/288) ======================= q-point: (-0.29 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 0.000 -5.619 1.133) 5.732 1.154 ( -0.000 -8.165 2.331) 8.491 1.297 ( 0.000 -3.039 -5.246) 6.062 1.334 ( -0.000 -4.215 3.873) 5.724 1.407 ( -0.000 -4.862 4.377) 6.542 1.455 ( 0.000 -2.877 -0.055) 2.877 1.690 ( 0.000 3.586 -13.980) 14.433 2.022 ( -0.000 2.766 5.258) 5.941 2.869 ( 0.000 -18.008 -5.463) 18.818 3.219 ( -0.000 -15.445 10.067) 18.436 3.336 ( 0.000 -10.853 -6.039) 12.420 3.762 ( 0.000 -10.929 2.182) 11.145 4.123 ( 0.000 5.369 -4.607) 7.075 4.456 ( -0.000 1.715 5.386) 5.652 4.565 ( 0.000 3.298 -1.652) 3.688 4.573 ( 0.000 -1.411 -0.027) 1.411 4.585 ( 0.000 0.805 -0.580) 0.993 4.607 ( 0.000 -1.419 -0.240) 1.439 4.636 ( 0.000 -1.506 0.243) 1.526 4.692 ( -0.000 0.643 0.444) 0.781 4.707 ( 0.000 -1.547 -0.112) 1.551 4.774 ( -0.000 -1.328 0.753) 1.527 4.812 ( 0.000 -0.739 -3.582) 3.658 4.929 ( -0.000 -0.120 1.577) 1.582 ======================= Grid point 355 (138/288) ======================= q-point: (-0.21 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 7.245 -7.303 -1.143) 10.350 1.107 ( 5.766 -8.397 4.801) 11.261 1.307 ( 4.710 -3.294 -3.587) 6.775 1.325 ( 2.195 -2.516 4.082) 5.273 1.407 ( 5.412 -6.503 3.494) 9.153 1.493 ( 7.307 -3.553 0.189) 8.127 1.691 ( -0.413 1.572 -13.200) 13.300 2.026 ( -1.931 -0.334 4.073) 4.520 2.669 ( 0.241 -20.207 -5.428) 20.924 3.079 ( 0.428 -16.355 10.647) 19.520 3.214 ( 1.031 -12.320 -7.479) 14.449 3.661 ( 0.042 -9.680 2.373) 9.966 4.146 ( -2.468 5.617 -3.955) 7.299 4.469 ( -1.608 2.578 5.131) 5.964 4.556 ( -0.550 0.716 0.510) 1.037 4.577 ( -1.344 1.812 -1.841) 2.912 4.595 ( 1.567 -0.965 0.036) 1.841 4.620 ( 2.174 -1.348 -0.648) 2.639 4.642 ( 2.152 -1.823 0.320) 2.838 4.692 ( -0.292 0.071 0.473) 0.560 4.710 ( 1.628 -1.744 -0.177) 2.393 4.762 ( -0.241 -1.048 0.530) 1.199 4.794 ( -0.332 -1.278 -3.225) 3.485 4.925 ( -0.298 -0.718 1.372) 1.577 ======================= Grid point 356 (139/288) ======================= q-point: (-0.14 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 4.421 -8.615 -1.465) 9.793 1.215 ( 11.239 -8.735 3.828) 14.739 1.314 ( -0.327 -1.912 7.603) 7.847 1.389 ( 6.821 -2.959 -6.654) 9.978 1.458 ( 7.246 -8.478 3.159) 11.592 1.583 ( 6.239 -6.055 -0.626) 8.717 1.661 ( 0.277 -2.551 -8.695) 9.066 1.980 ( -1.493 -1.764 2.277) 3.244 2.494 ( 4.685 -19.540 -4.338) 20.557 2.975 ( 4.042 -14.582 10.476) 18.405 3.126 ( 4.688 -11.149 -9.167) 15.175 3.594 ( 1.669 -7.275 2.932) 8.019 4.145 ( -3.385 5.889 -3.286) 7.546 4.479 ( -1.659 3.352 5.280) 6.471 4.559 ( -0.615 1.129 0.860) 1.547 4.571 ( -1.877 3.097 -2.901) 4.640 4.610 ( 2.265 -2.502 0.168) 3.380 4.637 ( 1.701 -2.540 -0.345) 3.077 4.663 ( 2.450 -2.351 -0.139) 3.398 4.691 ( 0.296 0.121 0.813) 0.873 4.716 ( 1.187 -2.116 -0.262) 2.440 4.749 ( -0.166 -1.067 0.884) 1.395 4.768 ( -0.070 -1.729 -2.788) 3.281 4.915 ( 0.045 -0.758 1.003) 1.258 ======================= Grid point 369 (140/288) ======================= q-point: (-0.21 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 0.000 -7.936 1.388) 8.056 0.980 ( -0.000 -10.399 3.032) 10.832 1.201 ( 0.000 -4.630 -5.888) 7.491 1.252 ( -0.000 -5.527 4.317) 7.013 1.359 ( -0.000 -2.537 8.455) 8.828 1.386 ( 0.000 -4.139 -0.082) 4.139 1.688 ( 0.000 0.692 -13.959) 13.976 2.026 ( -0.000 -4.453 3.206) 5.487 2.442 ( 0.000 -23.197 -5.671) 23.881 2.924 ( -0.000 -17.727 12.108) 21.468 3.059 ( 0.000 -13.739 -9.314) 16.598 3.575 ( -0.000 -8.108 2.019) 8.355 4.215 ( 0.000 5.289 -3.065) 6.113 4.515 ( -0.000 2.140 4.913) 5.359 4.541 ( 0.000 -1.758 -0.038) 1.758 4.574 ( 0.000 -1.789 -0.129) 1.794 4.582 ( -0.000 -0.206 2.713) 2.721 4.603 ( 0.000 -1.812 0.120) 1.816 4.624 ( 0.000 2.605 -3.182) 4.112 4.673 ( 0.000 -1.813 -0.091) 1.815 4.699 ( 0.000 -0.342 0.012) 0.342 4.755 ( 0.000 -1.095 -1.335) 1.727 4.783 ( 0.000 -0.645 -1.541) 1.671 4.917 ( -0.000 -1.602 1.168) 1.982 ======================= Grid point 370 (141/288) ======================= q-point: (-0.14 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 5.025 -9.481 -1.188) 10.796 0.941 ( 8.560 -10.032 4.321) 13.877 1.203 ( 6.452 -5.093 -5.832) 10.079 1.264 ( 6.102 -7.209 4.028) 10.268 1.325 ( -0.368 -3.066 7.834) 8.421 1.420 ( 6.053 -3.744 2.423) 7.518 1.646 ( -1.443 -2.210 -12.244) 12.525 1.957 ( -0.702 -7.964 1.964) 8.232 2.209 ( 2.312 -24.301 -5.109) 24.939 2.788 ( 2.001 -16.527 13.270) 21.289 2.927 ( 2.514 -12.600 -11.700) 17.377 3.515 ( 0.593 -5.559 2.043) 5.952 4.243 ( -2.103 5.258 -2.284) 6.107 4.534 ( -0.545 1.785 4.187) 4.584 4.541 ( 1.628 -1.743 0.297) 2.404 4.569 ( 1.092 -1.404 0.476) 1.841 4.588 ( 0.110 -0.413 2.479) 2.516 4.602 ( 1.639 -1.816 0.179) 2.453 4.629 ( -0.966 1.367 -2.807) 3.268 4.668 ( 1.180 -1.927 -0.109) 2.262 4.694 ( 0.042 -0.245 -0.460) 0.522 4.736 ( 0.067 -1.816 -2.263) 2.902 4.771 ( -1.020 0.207 -0.304) 1.084 4.901 ( 0.173 -2.013 0.865) 2.198 ======================= Grid point 384 (142/288) ======================= q-point: (-0.14 -0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 0.000 -9.885 1.846) 10.056 0.768 ( 0.000 -11.993 2.338) 12.218 1.080 ( 0.000 -5.288 -6.521) 8.395 1.150 ( -0.000 -6.307 4.827) 7.942 1.295 ( 0.000 -4.911 -0.186) 4.915 1.337 ( -0.000 -4.175 10.687) 11.473 1.597 ( 0.000 -6.302 -10.754) 12.464 1.854 ( 0.000 -14.377 0.484) 14.386 1.928 ( 0.000 -25.760 -4.672) 26.180 2.638 ( -0.000 -15.147 16.311) 22.259 2.763 ( 0.000 -11.144 -15.150) 18.807 3.471 ( -0.000 -3.054 1.563) 3.431 4.309 ( 0.000 4.973 -1.554) 5.211 4.506 ( 0.000 -1.765 -0.039) 1.766 4.538 ( 0.000 -1.781 -0.046) 1.782 4.557 ( -0.000 0.429 3.645) 3.670 4.568 ( 0.000 -1.753 0.039) 1.753 4.604 ( -0.000 0.926 4.285) 4.383 4.636 ( 0.000 -1.149 -1.022) 1.538 4.638 ( 0.000 -1.684 -0.065) 1.685 4.692 ( 0.000 0.257 -2.378) 2.392 4.716 ( 0.000 -0.798 -2.443) 2.570 4.785 ( 0.000 0.490 -0.304) 0.577 4.876 ( -0.000 -2.851 0.646) 2.923 ======================= Grid point 431 (143/288) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.164 ( -0.000 0.000 15.497) 15.497 0.164 ( -0.000 0.000 15.497) 15.497 0.399 ( -0.000 0.000 38.656) 38.656 0.801 ( 0.000 -0.000 -8.293) 8.293 0.801 ( 0.000 -0.000 -8.293) 8.293 0.944 ( -0.000 0.000 5.512) 5.512 0.944 ( -0.000 0.000 5.512) 5.512 1.086 ( 0.000 -0.000 -0.548) 0.548 1.086 ( 0.000 -0.000 -0.548) 0.548 2.165 ( 0.000 -0.000 -29.017) 29.017 2.730 ( -0.000 0.000 23.948) 23.948 3.453 ( 0.000 -0.000 -3.549) 3.549 4.443 ( 0.000 -0.000 -0.034) 0.034 4.443 ( 0.000 -0.000 -0.034) 0.034 4.477 ( 0.000 -0.000 -0.017) 0.017 4.477 ( 0.000 -0.000 -0.017) 0.017 4.509 ( -0.000 0.000 0.213) 0.213 4.509 ( -0.000 0.000 0.213) 0.213 4.582 ( 0.000 -0.000 -0.033) 0.033 4.582 ( 0.000 -0.000 -0.033) 0.033 4.656 ( -0.000 0.000 0.321) 0.321 4.730 ( 0.000 -0.000 -1.816) 1.816 4.813 ( 0.000 -0.000 -1.711) 1.711 4.886 ( 0.000 -0.000 -1.930) 1.930 ======================= Grid point 432 (144/288) ======================= q-point: ( 0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 8.963 5.175 10.882) 15.018 0.376 ( 9.453 5.458 12.756) 16.788 0.754 ( 22.789 13.157 18.106) 31.942 0.783 ( 1.570 0.906 -8.739) 8.925 0.984 ( 13.195 7.618 -7.503) 16.984 1.009 ( 3.584 2.069 4.603) 6.190 1.078 ( 10.616 6.129 5.693) 13.516 1.112 ( 2.439 1.408 -0.923) 2.963 1.236 ( 11.956 6.903 -0.351) 13.810 2.127 ( 1.676 0.968 -27.734) 27.801 2.764 ( -0.287 -0.166 22.690) 22.693 3.437 ( -0.720 -0.416 -4.440) 4.517 4.451 ( 0.689 0.398 -0.037) 0.796 4.466 ( -0.625 -0.361 -0.224) 0.755 4.485 ( 0.635 0.367 -0.042) 0.735 4.500 ( 1.229 0.710 -5.520) 5.700 4.517 ( 0.674 0.389 0.265) 0.823 4.533 ( 1.843 1.064 -0.986) 2.346 4.558 ( -0.290 -0.168 0.528) 0.625 4.588 ( 0.566 0.327 -0.055) 0.656 4.688 ( 0.878 0.507 -0.958) 1.395 4.742 ( 1.604 0.926 -0.132) 1.857 4.789 ( -0.745 -0.430 -1.370) 1.617 4.849 ( -1.909 -1.102 2.889) 3.634 ======================= Grid point 433 (145/288) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 9.139 5.276 8.403) 13.489 0.621 ( 10.210 5.895 8.815) 14.721 0.836 ( 4.133 2.386 -8.389) 9.651 1.113 ( 4.753 2.744 3.683) 6.610 1.186 ( 4.012 2.317 -1.143) 4.772 1.229 ( 10.068 5.813 -8.288) 14.277 1.323 ( 17.074 9.858 6.525) 20.767 1.383 ( 18.020 10.404 7.476) 22.110 1.562 ( 15.339 8.856 -0.156) 17.713 2.196 ( 9.232 5.330 -21.226) 23.752 2.819 ( 2.536 1.464 19.736) 19.952 3.413 ( -0.346 -0.200 -5.639) 5.653 4.413 ( -3.492 -2.016 2.205) 4.596 4.473 ( 1.245 0.719 -0.015) 1.437 4.505 ( 1.150 0.664 -0.114) 1.333 4.512 ( 0.893 0.515 -6.174) 6.260 4.540 ( 1.248 0.721 0.335) 1.480 4.572 ( 0.938 0.541 -1.990) 2.265 4.595 ( 2.800 1.617 -0.437) 3.263 4.607 ( 1.070 0.618 -0.078) 1.237 4.689 ( 0.119 0.069 1.558) 1.564 4.766 ( -1.334 -0.770 0.462) 1.608 4.786 ( 0.146 0.084 -0.506) 0.533 4.823 ( 0.998 0.576 0.460) 1.240 ======================= Grid point 434 (146/288) ======================= q-point: ( 0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 8.162 4.712 7.126) 11.815 0.866 ( 10.134 5.851 5.756) 13.041 0.930 ( 5.092 2.940 -7.550) 9.569 1.229 ( 4.774 2.756 2.825) 6.194 1.281 ( 4.294 2.479 -1.166) 5.094 1.322 ( 1.510 0.872 -14.896) 14.997 1.559 ( 5.523 3.189 9.943) 11.813 1.863 ( 13.226 7.636 0.880) 15.298 1.930 ( 21.324 12.312 5.084) 25.143 2.471 ( 16.227 9.369 -12.613) 22.587 2.969 ( 8.072 4.660 14.895) 17.570 3.419 ( 2.169 1.252 -6.780) 7.228 4.330 ( -4.075 -2.353 3.677) 5.972 4.506 ( 1.550 0.895 0.024) 1.790 4.522 ( 0.544 0.314 -4.433) 4.477 4.535 ( 1.446 0.835 -0.165) 1.678 4.561 ( -0.939 -0.542 -4.080) 4.222 4.574 ( 1.610 0.930 0.351) 1.892 4.636 ( 1.423 0.822 -0.087) 1.645 4.651 ( 1.940 1.120 -0.882) 2.407 4.709 ( -0.454 -0.262 1.588) 1.673 4.727 ( -0.280 -0.162 3.067) 3.084 4.771 ( -0.659 -0.381 -0.954) 1.221 4.875 ( 2.404 1.388 -0.606) 2.841 ======================= Grid point 435 (147/288) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 6.640 3.833 6.038) 9.759 1.031 ( 4.685 2.705 -6.343) 8.337 1.096 ( 9.110 5.260 3.201) 10.996 1.301 ( -0.207 -0.119 -13.534) 13.536 1.334 ( 3.996 2.307 1.996) 5.027 1.371 ( 3.638 2.100 -1.030) 4.325 1.634 ( -0.067 -0.039 11.907) 11.907 2.052 ( 4.268 2.464 -1.146) 5.060 2.423 ( 19.831 11.449 5.111) 23.462 2.833 ( 16.236 9.374 -8.252) 20.483 3.223 ( 11.707 6.759 10.531) 17.136 3.499 ( 5.899 3.406 -7.490) 10.124 4.245 ( -3.927 -2.268 5.016) 6.762 4.488 ( -2.446 -1.412 -5.017) 5.758 4.542 ( 1.552 0.896 0.053) 1.792 4.558 ( 0.855 0.494 -1.796) 2.049 4.568 ( 1.450 0.837 -0.127) 1.679 4.612 ( 1.654 0.955 0.244) 1.926 4.651 ( -1.889 -1.091 0.882) 2.353 4.670 ( 1.535 0.886 -0.052) 1.773 4.696 ( 0.564 0.326 -1.219) 1.382 4.740 ( -0.614 -0.354 -0.066) 0.712 4.776 ( 1.290 0.745 2.720) 3.101 4.918 ( 1.396 0.806 -0.910) 1.851 ======================= Grid point 436 (148/288) ======================= q-point: ( 0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 4.162 2.403 0.297) 4.815 1.121 ( 4.028 2.325 -0.275) 4.659 1.228 ( 1.195 0.690 -5.094) 5.277 1.344 ( 6.491 3.748 -1.361) 7.618 1.414 ( 2.713 1.566 0.936) 3.270 1.440 ( 2.555 1.475 -0.581) 3.007 1.626 ( -1.656 -0.956 10.515) 10.687 2.068 ( -2.083 -1.203 -2.439) 3.425 2.838 ( 15.767 9.103 4.671) 18.795 3.153 ( 12.446 7.186 -6.000) 15.573 3.508 ( 11.186 6.458 8.117) 15.256 3.636 ( 6.389 3.689 -7.995) 10.879 4.182 ( -1.974 -1.140 6.354) 6.751 4.412 ( -3.299 -1.905 -5.821) 6.957 4.567 ( -0.244 -0.141 -0.191) 0.340 4.574 ( 1.244 0.718 0.043) 1.437 4.598 ( 1.170 0.676 0.013) 1.352 4.605 ( -2.192 -1.265 1.753) 3.079 4.647 ( 1.339 0.773 0.022) 1.546 4.700 ( -0.231 -0.133 -1.336) 1.362 4.703 ( 1.322 0.763 0.033) 1.527 4.727 ( 0.019 0.011 -0.614) 0.615 4.810 ( 1.200 0.693 2.683) 3.020 4.933 ( 0.124 0.071 -1.087) 1.096 ======================= Grid point 437 (149/288) ======================= q-point: ( 0.57 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 1.452 0.838 -4.788) 5.073 1.211 ( 2.910 1.680 5.270) 6.250 1.235 ( 0.879 0.507 -1.888) 2.143 1.457 ( 1.234 0.712 5.564) 5.743 1.459 ( 1.130 0.652 -0.520) 1.404 1.485 ( 1.410 0.814 0.250) 1.647 1.646 ( 3.503 2.022 2.611) 4.815 1.974 ( -5.116 -2.954 -3.280) 6.757 3.146 ( 10.186 5.881 4.269) 12.512 3.362 ( 6.421 3.707 -3.623) 8.253 3.709 ( 2.682 1.548 -2.646) 4.073 3.748 ( 6.451 3.725 2.182) 7.762 4.201 ( 2.839 1.639 5.995) 6.832 4.319 ( -3.961 -2.287 -5.988) 7.535 4.527 ( -2.669 -1.541 -0.499) 3.122 4.575 ( -0.903 -0.521 1.575) 1.889 4.596 ( 0.680 0.393 -0.004) 0.786 4.620 ( 0.673 0.388 0.206) 0.804 4.671 ( 0.723 0.417 -0.228) 0.865 4.686 ( -0.491 -0.284 -1.136) 1.270 4.728 ( 0.778 0.449 0.135) 0.908 4.738 ( 0.529 0.305 1.513) 1.632 4.842 ( 1.321 0.763 1.325) 2.020 4.921 ( -0.868 -0.501 -1.141) 1.518 ======================= Grid point 438 (150/288) ======================= q-point: (-0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -0.737 -0.426 -4.432) 4.513 1.264 ( 0.942 0.544 5.502) 5.609 1.266 ( 1.553 0.896 2.312) 2.926 1.448 ( -1.624 -0.937 6.767) 7.022 1.464 ( -0.429 -0.248 -1.534) 1.612 1.504 ( 0.161 0.093 0.568) 0.598 1.720 ( -0.976 -0.563 -2.898) 3.109 1.885 ( 0.761 0.440 -2.507) 2.657 3.269 ( -1.188 -0.686 2.270) 2.652 3.448 ( 2.163 1.249 0.976) 2.682 3.699 ( -2.003 -1.156 -6.161) 6.580 3.859 ( 2.168 1.252 6.080) 6.576 4.203 ( -5.220 -3.014 -5.553) 8.196 4.313 ( 5.073 2.929 4.685) 7.500 4.485 ( -0.397 -0.229 -1.451) 1.522 4.555 ( -0.842 -0.486 -0.214) 0.995 4.604 ( -0.017 -0.010 -0.047) 0.051 4.629 ( 0.045 0.026 0.370) 0.374 4.678 ( -0.058 -0.034 -0.426) 0.431 4.682 ( 0.236 0.136 -0.115) 0.296 4.737 ( 0.021 0.012 0.209) 0.211 4.750 ( 0.224 0.129 2.966) 2.977 4.860 ( -0.564 -0.326 -0.152) 0.669 4.908 ( 0.531 0.306 -0.615) 0.868 ======================= Grid point 439 (151/288) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -2.947 -1.701 -3.905) 5.180 1.273 ( -1.027 -0.593 5.686) 5.808 1.285 ( -0.989 -0.571 -0.391) 1.207 1.434 ( -1.914 -1.105 -2.257) 3.159 1.444 ( 0.568 0.328 8.136) 8.163 1.494 ( -1.154 -0.667 0.506) 1.426 1.603 ( -5.885 -3.398 -2.237) 7.154 1.979 ( 5.170 2.985 -2.570) 6.500 3.125 ( -10.552 -6.092 2.055) 12.356 3.438 ( -4.211 -2.431 3.748) 6.139 3.577 ( -7.936 -4.582 -7.944) 12.128 3.888 ( -1.636 -0.945 8.021) 8.241 4.075 ( -3.226 -1.862 -5.808) 6.900 4.432 ( 4.459 2.574 4.523) 6.853 4.494 ( 0.989 0.571 -4.130) 4.285 4.555 ( 1.053 0.608 0.442) 1.294 4.596 ( -0.700 -0.404 -0.049) 0.810 4.623 ( -0.602 -0.348 0.448) 0.827 4.667 ( -0.826 -0.477 -0.525) 1.089 4.689 ( 0.366 0.211 -0.414) 0.591 4.729 ( -0.744 -0.430 0.232) 0.890 4.761 ( 0.191 0.110 3.404) 3.411 4.827 ( -1.719 -0.992 -0.538) 2.056 4.931 ( 0.999 0.577 -0.423) 1.229 ======================= Grid point 440 (152/288) ======================= q-point: (-0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -5.062 -2.922 -3.375) 6.750 1.195 ( -6.382 -3.685 -5.163) 8.998 1.239 ( -2.793 -1.613 5.973) 6.788 1.370 ( -3.342 -1.930 -2.995) 4.885 1.451 ( -1.740 -1.004 -3.469) 4.009 1.453 ( -2.447 -1.412 0.378) 2.850 1.547 ( 1.409 0.813 12.340) 12.447 2.063 ( 2.057 1.187 -2.688) 3.587 2.824 ( -15.960 -9.214 2.999) 18.671 3.273 ( -10.462 -6.040 5.720) 13.366 3.322 ( -12.661 -7.310 -9.511) 17.441 3.761 ( -8.483 -4.898 2.551) 10.122 4.100 ( 4.057 2.342 -0.293) 4.693 4.512 ( 1.475 0.852 -5.174) 5.447 4.529 ( 3.277 1.892 4.808) 6.118 4.573 ( -1.236 -0.714 -0.019) 1.427 4.584 ( 0.989 0.571 -0.002) 1.142 4.604 ( -1.151 -0.664 0.414) 1.392 4.640 ( -1.394 -0.805 -0.494) 1.684 4.699 ( 0.549 0.317 -0.879) 1.083 4.706 ( -1.313 -0.758 0.203) 1.530 4.764 ( -0.534 -0.308 2.590) 2.662 4.792 ( -1.175 -0.679 0.246) 1.379 4.941 ( -0.123 -0.071 -0.585) 0.602 ======================= Grid point 441 (153/288) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -6.973 -4.026 -2.761) 8.512 1.001 ( -9.363 -5.406 -4.773) 11.818 1.170 ( -4.098 -2.366 6.289) 7.870 1.273 ( -4.607 -2.660 -3.841) 6.562 1.385 ( -3.575 -2.064 0.272) 4.137 1.405 ( -1.360 -0.785 -9.151) 9.285 1.613 ( 1.005 0.580 14.776) 14.821 2.040 ( -4.145 -2.393 -2.209) 5.271 2.416 ( -20.260 -11.697 4.044) 23.741 2.987 ( -14.661 -8.465 -11.941) 20.717 3.011 ( -12.926 -7.463 9.048) 17.454 3.580 ( -6.762 -3.904 -0.052) 7.808 4.204 ( 4.631 2.674 1.369) 5.520 4.540 ( 1.631 0.941 -4.696) 5.059 4.541 ( -1.527 -0.882 0.019) 1.763 4.573 ( -1.503 -0.868 0.254) 1.754 4.591 ( 0.787 0.454 0.057) 0.910 4.604 ( -1.624 -0.937 -0.304) 1.899 4.606 ( 2.055 1.186 2.504) 3.450 4.673 ( -1.556 -0.898 0.137) 1.802 4.701 ( -0.529 -0.305 -0.607) 0.861 4.745 ( -1.366 -0.789 2.111) 2.636 4.778 ( -0.122 -0.070 0.607) 0.623 4.922 ( -1.425 -0.822 -0.688) 1.783 ======================= Grid point 446 (154/288) ======================= q-point: ( 0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( -0.000 8.396 8.499) 11.947 0.406 ( -0.000 7.129 18.643) 19.959 0.823 ( -0.000 27.171 19.054) 33.186 0.847 ( 0.000 5.309 -7.959) 9.567 0.892 ( 0.000 11.719 -8.421) 14.431 0.970 ( -0.000 2.039 5.588) 5.948 1.118 ( -0.000 3.098 -0.462) 3.132 1.138 ( -0.000 14.988 4.323) 15.600 1.227 ( -0.000 13.430 -1.071) 13.473 2.083 ( 0.000 2.705 -27.829) 27.960 2.800 ( -0.000 -0.806 22.079) 22.094 3.429 ( 0.000 -0.816 -5.167) 5.231 4.451 ( -0.000 0.816 -0.023) 0.816 4.465 ( 0.000 -0.251 -1.067) 1.096 4.484 ( -0.000 0.737 -0.049) 0.739 4.491 ( 0.000 0.767 -3.843) 3.918 4.517 ( -0.000 0.746 0.264) 0.791 4.528 ( 0.000 1.844 -1.178) 2.189 4.564 ( -0.000 -0.018 0.678) 0.679 4.589 ( -0.000 0.681 -0.036) 0.682 4.685 ( -0.000 0.871 -0.128) 0.880 4.742 ( -0.000 1.922 -0.055) 1.923 4.786 ( 0.000 -0.679 -2.253) 2.353 4.854 ( -0.000 -2.058 1.803) 2.736 ======================= Grid point 447 (155/288) ======================= q-point: ( 0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 9.301 8.466 7.731) 14.763 0.555 ( 6.350 7.769 10.893) 14.810 0.863 ( -1.319 8.749 -7.953) 11.897 1.050 ( 5.558 4.307 3.405) 7.812 1.099 ( 8.246 5.514 -5.593) 11.388 1.182 ( 4.672 7.860 -0.388) 9.152 1.248 ( 11.101 22.844 10.923) 27.647 1.336 ( 3.849 15.034 4.847) 16.258 1.445 ( 8.764 13.640 -0.808) 16.233 2.110 ( 3.846 7.549 -23.839) 25.300 2.836 ( 0.813 0.365 20.193) 20.212 3.407 ( -0.428 -0.555 -6.204) 6.243 4.435 ( -1.708 -2.825 1.892) 3.804 4.470 ( 0.699 1.312 0.018) 1.486 4.494 ( 0.578 0.755 -5.544) 5.625 4.500 ( 0.702 1.205 -0.208) 1.410 4.533 ( 0.728 1.207 0.242) 1.430 4.561 ( 0.878 1.391 -1.196) 2.034 4.575 ( 1.102 1.739 -0.596) 2.143 4.602 ( 0.568 1.089 -0.149) 1.237 4.692 ( 0.154 0.373 1.783) 1.828 4.768 ( 0.004 -0.418 -0.786) 0.890 4.782 ( 0.634 1.540 -0.827) 1.859 4.825 ( -0.867 -1.296 0.536) 1.648 ======================= Grid point 448 (156/288) ======================= q-point: ( 0.36 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 6.548 7.044 9.349) 13.413 0.804 ( 8.686 9.753 3.331) 13.478 0.943 ( 0.806 10.261 -6.727) 12.296 1.194 ( 5.257 4.334 0.124) 6.814 1.241 ( 5.098 3.645 -4.232) 7.562 1.301 ( 1.983 5.900 -6.404) 8.930 1.541 ( 3.934 8.813 7.554) 12.256 1.726 ( 13.541 15.515 4.985) 21.188 1.752 ( 14.968 13.217 3.587) 20.288 2.308 ( 11.583 12.165 -15.761) 23.034 2.928 ( 4.578 3.485 16.451) 17.428 3.395 ( 0.613 0.918 -7.268) 7.351 4.366 ( -2.933 -3.555 3.735) 5.933 4.498 ( 0.852 1.333 -1.598) 2.249 4.508 ( 0.947 1.404 -2.767) 3.244 4.530 ( 0.970 1.874 -0.247) 2.124 4.556 ( -0.515 -0.985 -3.419) 3.595 4.566 ( 1.158 1.633 0.092) 2.004 4.622 ( 1.746 1.340 -0.439) 2.244 4.632 ( 1.362 1.792 -0.640) 2.340 4.713 ( 0.511 1.271 3.060) 3.352 4.740 ( -1.256 -1.612 0.537) 2.113 4.773 ( -0.846 -0.938 -0.823) 1.507 4.850 ( 2.034 1.791 -0.614) 2.779 ======================= Grid point 449 (157/288) ======================= q-point: ( 0.43 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 6.408 6.196 6.247) 10.885 1.012 ( 3.505 8.726 -3.256) 9.951 1.075 ( 3.905 11.212 0.206) 11.875 1.275 ( 1.630 1.849 -11.545) 11.806 1.350 ( 2.100 7.362 0.673) 7.685 1.382 ( 1.168 7.784 -1.346) 7.985 1.650 ( 0.806 1.877 10.727) 10.920 1.967 ( 7.905 3.012 -1.224) 8.547 2.229 ( 18.071 14.858 7.108) 24.451 2.645 ( 15.264 11.605 -10.131) 21.687 3.123 ( 9.362 6.119 11.915) 16.342 3.436 ( 3.643 3.268 -7.893) 9.287 4.283 ( -3.256 -3.866 5.105) 7.184 4.491 ( -1.262 -2.249 -4.473) 5.163 4.537 ( 0.667 1.238 -1.156) 1.820 4.547 ( 0.887 1.638 -1.251) 2.244 4.567 ( 0.712 2.396 -0.077) 2.501 4.606 ( 1.161 1.948 0.139) 2.272 4.657 ( 0.672 0.286 -1.017) 1.253 4.666 ( 0.787 1.872 -0.494) 2.090 4.694 ( -0.691 -0.644 0.119) 0.952 4.740 ( -0.335 -0.916 -0.116) 0.982 4.767 ( 1.005 0.762 3.236) 3.473 4.896 ( 1.780 0.963 -0.988) 2.252 ======================= Grid point 450 (158/288) ======================= q-point: ( 0.50 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 4.213 5.045 3.336) 7.371 1.110 ( 1.571 6.288 -4.400) 7.834 1.244 ( 1.680 8.102 -1.330) 8.380 1.314 ( 2.276 7.494 -5.418) 9.523 1.447 ( -0.078 8.028 0.457) 8.041 1.473 ( -0.014 8.337 -0.335) 8.344 1.659 ( -1.413 -1.561 11.620) 11.810 2.052 ( 1.890 -1.650 -2.533) 3.565 2.664 ( 16.491 10.898 6.054) 20.673 2.988 ( 14.197 8.746 -7.336) 18.217 3.386 ( 11.483 6.128 8.739) 15.678 3.550 ( 6.207 4.275 -8.045) 11.024 4.204 ( -2.368 -3.772 6.358) 7.763 4.421 ( -2.261 -3.500 -5.585) 6.968 4.553 ( 0.347 -0.424 -0.020) 0.548 4.568 ( -0.123 -0.082 -0.178) 0.232 4.600 ( 0.546 2.276 0.351) 2.367 4.629 ( -0.161 0.739 -0.016) 0.757 4.656 ( -0.237 2.316 0.120) 2.331 4.696 ( 0.382 0.364 -0.930) 1.070 4.706 ( 0.627 2.324 -0.426) 2.445 4.726 ( 0.199 -0.157 -0.730) 0.773 4.801 ( 1.152 0.529 3.475) 3.699 4.923 ( 0.895 0.021 -1.169) 1.472 ======================= Grid point 451 (159/288) ======================= q-point: ( 0.57 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 1.210 1.951 -1.222) 2.601 1.208 ( 1.290 6.188 0.524) 6.343 1.304 ( -1.737 8.440 -2.414) 8.948 1.456 ( 2.855 7.480 1.588) 8.163 1.503 ( -1.714 6.481 0.428) 6.718 1.533 ( -2.023 6.737 0.809) 7.080 1.645 ( -0.274 0.843 6.861) 6.918 2.009 ( -2.826 -3.185 -3.626) 5.593 3.020 ( 13.001 7.483 5.405) 15.945 3.257 ( 9.988 5.318 -5.200) 12.453 3.637 ( 9.210 3.736 6.301) 11.767 3.669 ( 5.024 2.287 -6.898) 8.835 4.171 ( 1.343 -2.164 6.785) 7.247 4.330 ( -2.631 -4.238 -6.231) 7.981 4.522 ( -1.369 -4.154 -0.078) 4.375 4.542 ( -0.168 -3.303 1.007) 3.457 4.633 ( 0.154 2.690 0.605) 2.762 4.642 ( -0.531 2.783 -0.289) 2.848 4.677 ( -0.197 1.956 -0.662) 2.074 4.697 ( -0.354 0.844 -0.293) 0.961 4.731 ( 0.202 1.885 -0.390) 1.936 4.749 ( 0.254 2.427 0.851) 2.585 4.829 ( 1.221 0.388 2.167) 2.517 4.923 ( -0.179 -0.628 -1.231) 1.393 ======================= Grid point 452 (160/288) ======================= q-point: ( 0.64 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.628 2.130 1.870) 2.904 1.260 ( -1.579 5.279 -0.444) 5.528 1.347 ( -2.317 6.598 0.939) 7.056 1.491 ( -2.979 2.566 4.887) 6.272 1.536 ( -3.046 5.038 0.138) 5.889 1.561 ( -2.007 6.674 1.885) 7.219 1.708 ( 2.444 3.944 -1.505) 4.878 1.909 ( -4.050 -1.492 -3.629) 5.639 3.250 ( 5.284 2.956 3.909) 7.207 3.407 ( 4.519 1.978 -1.446) 5.140 3.688 ( 0.340 -1.458 -5.676) 5.870 3.814 ( 5.421 0.734 5.511) 7.765 4.223 ( -1.530 -3.406 -4.260) 5.665 4.243 ( 4.128 -1.124 3.480) 5.515 4.454 ( -0.271 -4.828 -0.583) 4.871 4.507 ( 0.816 -4.721 0.085) 4.792 4.651 ( -1.274 2.779 -0.010) 3.057 4.660 ( -0.687 2.525 0.381) 2.644 4.683 ( -0.637 1.337 -0.480) 1.557 4.703 ( -0.830 1.983 0.110) 2.153 4.748 ( -0.303 1.521 0.512) 1.633 4.771 ( -0.652 2.137 1.861) 2.908 4.858 ( 0.930 0.442 0.540) 1.163 4.905 ( -0.516 -0.552 -1.120) 1.351 ======================= Grid point 453 (161/288) ======================= q-point: (-0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -4.239 4.620 0.252) 6.275 1.281 ( -0.004 2.143 3.991) 4.530 1.345 ( -3.297 2.560 0.150) 4.177 1.471 ( -3.305 2.086 1.041) 4.044 1.520 ( -3.774 4.789 2.994) 6.793 1.573 ( -4.370 6.299 1.618) 7.835 1.692 ( -6.105 0.823 -2.999) 6.851 1.915 ( 4.127 2.700 -2.958) 5.751 3.225 ( -6.788 -4.288 2.142) 8.310 3.466 ( 0.053 -0.286 2.924) 2.939 3.625 ( -4.180 -4.006 -6.915) 9.018 3.881 ( 2.748 -1.093 6.928) 7.532 4.098 ( -4.747 -5.472 -5.490) 9.089 4.359 ( 6.403 0.467 4.062) 7.598 4.439 ( 2.790 -2.897 -2.383) 4.675 4.493 ( 2.868 -3.499 -0.261) 4.532 4.647 ( -2.103 2.214 -0.021) 3.054 4.662 ( -1.944 2.405 0.243) 3.102 4.685 ( -0.450 0.834 -0.061) 0.950 4.702 ( -1.429 1.753 -0.118) 2.265 4.752 ( -0.932 1.226 0.623) 1.661 4.777 ( -0.956 1.366 2.630) 3.114 4.847 ( -1.638 -0.683 -0.530) 1.852 4.914 ( 1.307 0.378 -0.634) 1.501 ======================= Grid point 454 (162/288) ======================= q-point: (-0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -7.888 3.928 -0.977) 8.865 1.278 ( -5.856 1.616 -4.124) 7.342 1.308 ( -2.185 1.946 6.266) 6.916 1.410 ( -3.043 -1.033 -3.961) 5.100 1.520 ( -4.564 4.170 3.860) 7.288 1.542 ( -5.392 5.052 0.635) 7.417 1.600 ( -4.920 3.263 4.223) 7.258 2.009 ( 4.340 0.824 -3.250) 5.485 2.992 ( -13.069 -8.051 3.021) 15.645 3.385 ( -7.362 -4.216 4.637) 9.668 3.432 ( -10.086 -6.872 -8.498) 14.872 3.854 ( -6.909 -4.478 4.030) 9.167 4.029 ( 4.556 -1.176 -1.707) 5.005 4.460 ( 3.075 -1.426 -4.349) 5.514 4.471 ( 5.222 0.087 3.694) 6.397 4.533 ( 3.509 -1.191 0.429) 3.730 4.625 ( -2.554 1.609 -0.029) 3.019 4.645 ( -2.433 1.836 0.266) 3.060 4.675 ( -1.965 1.185 -0.396) 2.329 4.695 ( -0.412 0.477 -0.514) 0.813 4.739 ( -2.013 1.090 0.284) 2.307 4.776 ( -0.693 0.106 2.724) 2.813 4.808 ( -1.667 -0.770 -0.069) 1.838 4.934 ( 0.726 -0.120 -0.780) 1.073 ======================= Grid point 455 (163/288) ======================= q-point: (-0.14 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -9.646 1.637 -0.361) 9.791 1.135 ( -10.527 1.246 -5.837) 12.101 1.278 ( -5.711 3.205 6.152) 8.985 1.356 ( -2.668 0.863 -6.170) 6.777 1.425 ( -7.149 0.762 -3.437) 7.969 1.494 ( -6.506 4.560 -0.199) 7.947 1.622 ( 0.929 1.077 13.334) 13.410 2.044 ( 0.464 -2.093 -2.901) 3.608 2.644 ( -17.848 -9.858 4.025) 20.783 3.134 ( -13.834 -7.691 -10.439) 18.961 3.175 ( -11.902 -5.734 7.342) 15.115 3.668 ( -8.213 -4.496 -0.305) 9.369 4.131 ( 6.148 0.641 1.928) 6.475 4.495 ( 2.974 -0.123 -5.023) 5.839 4.554 ( 2.653 0.101 2.072) 3.368 4.566 ( 1.483 -0.213 1.386) 2.041 4.596 ( -1.858 0.773 -0.215) 2.024 4.618 ( -2.431 1.165 0.290) 2.711 4.644 ( -2.748 0.968 -0.329) 2.932 4.696 ( 0.133 -0.170 -0.868) 0.895 4.709 ( -2.289 0.510 0.239) 2.357 4.761 ( -0.985 -0.617 1.044) 1.562 4.781 ( -0.788 -0.933 1.607) 2.018 4.930 ( -0.498 -0.650 -0.893) 1.212 ======================= Grid point 461 (164/288) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( -0.000 9.626 4.805) 10.759 0.614 ( -0.000 8.186 13.605) 15.877 0.944 ( 0.000 6.965 -7.275) 10.071 1.055 ( -0.000 4.423 5.377) 6.963 1.081 ( 0.000 8.974 -10.304) 13.664 1.196 ( -0.000 4.750 -0.463) 4.772 1.410 ( -0.000 23.201 10.609) 25.512 1.507 ( -0.000 21.163 6.454) 22.125 1.540 ( -0.000 17.514 -1.403) 17.570 2.132 ( 0.000 12.013 -22.223) 25.262 2.869 ( -0.000 1.091 19.074) 19.105 3.395 ( 0.000 -0.117 -6.876) 6.877 4.424 ( -0.000 -3.429 2.748) 4.394 4.474 ( -0.000 1.450 -0.000) 1.450 4.489 ( 0.000 0.941 -4.890) 4.979 4.505 ( -0.000 1.384 -0.117) 1.389 4.539 ( -0.000 1.350 0.326) 1.389 4.565 ( 0.000 0.285 -2.360) 2.377 4.585 ( 0.000 2.593 -0.817) 2.718 4.608 ( -0.000 1.277 -0.054) 1.278 4.702 ( -0.000 1.271 3.053) 3.307 4.761 ( 0.000 -0.936 -1.037) 1.397 4.793 ( 0.000 1.269 -1.014) 1.624 4.822 ( 0.000 -0.152 -0.174) 0.231 ======================= Grid point 462 (165/288) ======================= q-point: ( 0.36 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 10.258 8.871 5.351) 14.579 0.746 ( 4.146 8.129 7.649) 11.907 1.028 ( 1.492 9.899 -6.554) 11.966 1.138 ( 3.437 4.095 -6.182) 8.173 1.178 ( 5.493 4.668 0.796) 7.253 1.300 ( 4.763 5.616 -1.926) 7.612 1.619 ( 1.017 11.970 6.597) 13.706 1.716 ( 3.502 13.234 -2.011) 13.837 1.804 ( 4.560 25.671 10.296) 28.032 2.278 ( 4.874 16.125 -17.221) 24.090 2.937 ( 1.972 3.878 16.311) 16.881 3.388 ( 0.097 1.597 -7.540) 7.708 4.377 ( -1.844 -3.930 4.136) 5.996 4.493 ( 0.316 0.869 -3.371) 3.495 4.504 ( 1.378 1.880 -0.311) 2.351 4.529 ( 0.916 1.536 -0.475) 1.851 4.549 ( -0.338 -1.032 -3.261) 3.437 4.565 ( 1.042 1.807 0.251) 2.101 4.615 ( 0.632 2.040 -1.042) 2.377 4.631 ( 0.911 1.788 -0.249) 2.022 4.724 ( 0.133 0.660 1.910) 2.025 4.743 ( -0.606 -0.574 0.937) 1.254 4.781 ( -0.968 -0.661 -0.705) 1.368 4.844 ( 0.854 2.314 -0.859) 2.612 ======================= Grid point 463 (166/288) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 4.750 7.018 6.931) 10.948 1.007 ( 9.669 9.754 0.427) 13.741 1.134 ( 0.768 8.797 -5.893) 10.616 1.236 ( 5.017 5.093 -9.034) 11.521 1.349 ( 6.642 6.452 3.407) 9.867 1.435 ( 3.424 8.003 -1.366) 8.811 1.709 ( -1.686 5.256 8.476) 10.115 1.881 ( 5.030 5.332 -2.465) 7.733 2.175 ( 9.393 20.620 9.186) 24.449 2.539 ( 9.632 15.428 -12.327) 21.971 3.078 ( 5.497 6.587 12.491) 15.153 3.415 ( 1.524 4.147 -7.928) 9.076 4.303 ( -2.844 -4.429 5.429) 7.561 4.479 ( -1.052 -2.454 -4.205) 4.981 4.530 ( 0.528 0.643 -2.180) 2.333 4.554 ( 1.546 2.828 -0.059) 3.224 4.578 ( 1.443 2.704 -0.157) 3.069 4.605 ( 0.819 1.780 -0.076) 1.961 4.641 ( 1.320 0.679 -1.159) 1.883 4.670 ( 1.244 2.321 -0.371) 2.660 4.700 ( -1.000 -1.389 -0.191) 1.722 4.739 ( -0.872 -0.951 -0.914) 1.581 4.777 ( 0.029 1.649 3.906) 4.240 4.879 ( 1.180 1.371 -1.254) 2.201 ======================= Grid point 464 (167/288) ======================= q-point: ( 0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 4.955 5.652 3.072) 8.120 1.147 ( 0.335 4.996 -5.063) 7.121 1.285 ( 5.512 9.871 -0.504) 11.317 1.374 ( 2.500 11.840 -5.329) 13.222 1.520 ( 3.680 8.278 2.118) 9.303 1.563 ( 1.097 10.102 -0.034) 10.162 1.706 ( -3.448 0.766 9.561) 10.193 1.973 ( 4.064 -1.505 -3.004) 5.273 2.549 ( 11.957 14.764 7.751) 20.519 2.843 ( 11.856 11.689 -9.159) 19.002 3.288 ( 8.690 6.731 9.231) 14.354 3.496 ( 3.778 5.576 -7.944) 10.415 4.217 ( -2.874 -4.851 6.627) 8.701 4.410 ( -2.047 -4.014 -5.524) 7.128 4.545 ( 0.341 0.047 -0.252) 0.427 4.580 ( -1.532 -0.792 -0.043) 1.725 4.619 ( 0.494 2.259 0.279) 2.329 4.630 ( 1.451 2.211 -0.447) 2.682 4.680 ( 0.530 1.591 -1.349) 2.152 4.688 ( 0.886 0.934 0.358) 1.336 4.715 ( 0.503 1.553 -0.844) 1.838 4.719 ( 0.887 1.435 -0.501) 1.760 4.801 ( 0.245 1.026 3.856) 3.998 4.903 ( 1.012 0.139 -1.383) 1.720 ======================= Grid point 465 (168/288) ======================= q-point: ( 0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 1.000 2.619 -1.752) 3.306 1.227 ( 3.621 5.456 1.477) 6.713 1.429 ( -0.656 11.647 -3.835) 12.279 1.529 ( 1.533 12.053 -0.003) 12.150 1.612 ( -2.235 4.496 4.802) 6.947 1.662 ( -3.393 7.454 2.126) 8.461 1.685 ( 0.382 6.807 2.834) 7.383 1.986 ( 1.221 -3.174 -3.478) 4.864 2.892 ( 12.226 9.970 6.637) 17.115 3.124 ( 11.052 7.645 -6.901) 15.107 3.520 ( 9.742 4.580 7.205) 12.953 3.605 ( 4.133 3.918 -7.664) 9.548 4.146 ( -0.878 -4.398 7.452) 8.697 4.316 ( -2.496 -4.904 -6.391) 8.433 4.509 ( -2.040 -4.281 0.253) 4.749 4.528 ( -1.711 -3.446 0.805) 3.931 4.645 ( 0.610 1.540 0.017) 1.656 4.669 ( 0.360 2.375 -1.086) 2.636 4.701 ( 0.486 2.332 -0.508) 2.435 4.716 ( 0.002 2.687 0.524) 2.738 4.749 ( 0.632 3.100 -0.711) 3.242 4.770 ( 1.144 3.207 0.411) 3.429 4.819 ( 0.558 0.232 2.778) 2.843 4.911 ( 0.516 -0.626 -1.301) 1.533 ======================= Grid point 466 (169/288) ======================= q-point: ( 0.64 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 1.140 2.279 2.260) 3.407 1.328 ( 1.273 4.216 2.508) 5.068 1.485 ( -4.294 9.275 -3.616) 10.842 1.583 ( -1.748 1.056 6.491) 6.804 1.633 ( -2.672 7.306 -1.472) 7.917 1.694 ( -2.788 10.612 0.627) 10.990 1.768 ( -1.636 9.443 -0.128) 9.584 1.956 ( -2.176 0.626 -3.136) 3.868 3.172 ( 9.289 6.165 5.346) 12.364 3.330 ( 7.089 3.966 -4.055) 9.079 3.652 ( 0.998 -0.758 -4.961) 5.117 3.717 ( 7.577 1.145 4.778) 9.031 4.151 ( 4.083 -1.922 6.095) 7.584 4.212 ( -2.344 -5.127 -6.366) 8.503 4.419 ( -2.051 -6.021 -0.043) 6.361 4.458 ( -1.019 -5.343 0.394) 5.454 4.668 ( 0.459 1.022 0.042) 1.121 4.691 ( -0.012 1.913 0.004) 1.913 4.727 ( -0.997 3.283 -0.403) 3.455 4.739 ( -0.549 2.807 0.811) 2.973 4.778 ( -0.507 2.559 -0.233) 2.619 4.809 ( -0.308 2.621 1.475) 3.023 4.844 ( 1.403 0.902 0.579) 1.766 4.906 ( -0.226 -0.487 -1.095) 1.220 ======================= Grid point 467 (170/288) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 1.630 2.385 6.341) 6.968 1.347 ( -2.264 1.024 3.802) 4.542 1.457 ( -5.318 3.914 -2.960) 7.236 1.590 ( -5.667 6.757 -2.134) 9.073 1.628 ( -0.927 4.102 0.596) 4.247 1.744 ( -4.765 10.177 3.039) 11.641 1.805 ( -3.803 7.231 -2.017) 8.415 1.930 ( -2.823 4.686 -2.575) 6.046 3.282 ( -2.363 -0.788 2.065) 3.235 3.444 ( 3.743 2.042 1.883) 4.661 3.622 ( -1.111 -3.077 -5.008) 5.982 3.808 ( 4.094 -2.999 4.132) 6.545 4.109 ( -3.558 -4.912 -4.467) 7.533 4.250 ( 6.859 -0.401 3.926) 7.913 4.355 ( 1.861 -4.635 -0.881) 5.072 4.408 ( 1.756 -4.877 -0.614) 5.219 4.680 ( -0.234 0.723 0.522) 0.922 4.701 ( -0.776 1.366 0.567) 1.671 4.730 ( -1.851 2.499 -0.516) 3.152 4.752 ( -1.442 2.694 0.483) 3.094 4.784 ( -1.031 1.573 0.314) 1.907 4.822 ( -1.187 2.107 1.469) 2.829 4.866 ( -0.593 0.608 -0.173) 0.867 4.899 ( 0.353 0.288 -0.954) 1.057 ======================= Grid point 468 (171/288) ======================= q-point: (-0.21 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -4.424 1.738 3.525) 5.918 1.332 ( 1.185 0.557 7.428) 7.542 1.387 ( -3.681 0.080 -3.801) 5.292 1.516 ( -9.228 6.857 -5.104) 12.579 1.664 ( -3.432 7.073 3.628) 8.659 1.732 ( -7.829 8.081 1.344) 11.331 1.772 ( -7.215 6.681 -0.192) 9.835 1.949 ( 1.565 1.635 -3.348) 4.041 3.127 ( -10.469 -6.026 2.621) 12.360 3.458 ( -3.739 -1.443 3.800) 5.523 3.503 ( -7.027 -5.425 -7.065) 11.346 3.875 ( 5.152 -1.835 6.420) 8.433 3.965 ( -5.020 -5.472 -4.602) 8.736 4.369 ( 5.741 -1.110 0.599) 5.878 4.375 ( 4.923 -1.726 -0.968) 5.306 4.441 ( 5.425 -1.675 0.277) 5.685 4.672 ( -1.362 0.487 0.072) 1.448 4.700 ( -0.966 1.317 0.672) 1.766 4.713 ( -2.400 1.748 -0.435) 3.000 4.741 ( -2.453 1.820 0.156) 3.059 4.777 ( -1.320 0.845 0.747) 1.736 4.814 ( -2.090 1.493 1.276) 2.868 4.839 ( -2.388 0.084 -0.110) 2.392 4.914 ( 1.031 -0.087 -0.956) 1.408 ======================= Grid point 469 (172/288) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -8.228 -0.265 0.681) 8.260 1.329 ( -2.480 0.356 -5.742) 6.264 1.381 ( -3.194 3.820 4.216) 6.525 1.405 ( -7.380 4.648 0.237) 8.724 1.616 ( -9.768 4.157 -0.088) 10.616 1.671 ( -6.818 5.885 2.295) 9.294 1.708 ( -7.164 5.246 3.765) 9.644 1.984 ( 2.918 -2.034 -3.313) 4.861 2.846 ( -15.000 -7.239 3.606) 17.042 3.267 ( -11.592 -5.859 -8.908) 15.750 3.326 ( -9.441 -3.139 6.225) 11.736 3.765 ( -8.142 -4.313 -1.420) 9.323 4.017 ( 7.624 -0.432 3.027) 8.214 4.420 ( 4.281 -0.723 -5.092) 6.691 4.481 ( 5.641 -0.171 3.252) 6.513 4.520 ( 4.126 -0.368 0.437) 4.165 4.649 ( -2.130 0.845 -0.288) 2.310 4.681 ( -3.061 1.368 0.152) 3.356 4.694 ( -0.992 0.892 -0.588) 1.458 4.708 ( -2.897 0.950 0.095) 3.050 4.754 ( -1.885 -0.180 0.640) 1.999 4.785 ( -2.540 0.419 -0.043) 2.574 4.798 ( -1.925 -0.447 1.684) 2.596 4.923 ( 0.461 -0.493 -1.043) 1.242 ======================= Grid point 476 (173/288) ======================= q-point: ( 0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -0.000 8.808 3.377) 9.433 0.816 ( -0.000 8.174 8.876) 12.067 1.061 ( 0.000 7.105 -6.508) 9.635 1.170 ( -0.000 5.109 4.910) 7.086 1.170 ( 0.000 4.897 -10.654) 11.725 1.292 ( -0.000 4.967 -0.507) 4.992 1.741 ( -0.000 9.908 7.754) 12.581 1.819 ( 0.000 11.773 -3.847) 12.386 2.048 ( -0.000 25.890 9.809) 27.686 2.388 ( 0.000 19.324 -15.580) 24.822 2.996 ( -0.000 6.242 14.381) 15.677 3.399 ( 0.000 3.707 -7.580) 8.438 4.362 ( -0.000 -4.158 4.937) 6.455 4.493 ( 0.000 0.097 -3.012) 3.014 4.507 ( -0.000 1.780 0.026) 1.781 4.534 ( 0.000 -0.955 -3.522) 3.649 4.537 ( -0.000 1.808 -0.198) 1.819 4.571 ( -0.000 1.682 0.373) 1.723 4.630 ( 0.000 1.851 -1.945) 2.685 4.638 ( -0.000 1.709 -0.078) 1.710 4.722 ( 0.000 -1.299 -0.051) 1.300 4.755 ( -0.000 0.712 1.362) 1.537 4.788 ( -0.000 0.636 0.971) 1.160 4.860 ( 0.000 2.426 -1.160) 2.689 ======================= Grid point 477 (174/288) ======================= q-point: ( 0.43 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 11.286 7.921 2.758) 14.061 0.925 ( 2.102 7.630 5.597) 9.694 1.171 ( 3.165 3.984 -8.241) 9.686 1.199 ( 2.532 8.431 -5.830) 10.558 1.290 ( 6.451 5.016 4.274) 9.222 1.401 ( 6.260 5.057 -0.963) 8.105 1.813 ( -1.974 4.826 9.059) 10.452 1.903 ( -0.164 6.403 -5.002) 8.127 2.326 ( 1.831 23.313 9.227) 25.139 2.583 ( 3.052 19.096 -12.929) 23.262 3.110 ( 2.037 8.565 11.513) 14.494 3.439 ( 0.287 6.485 -7.452) 9.883 4.311 ( -1.982 -4.511 5.878) 7.670 4.465 ( -1.059 -2.749 -4.299) 5.211 4.529 ( 0.234 1.205 -1.246) 1.749 4.545 ( 1.843 2.060 -0.204) 2.771 4.572 ( 1.704 2.089 -0.281) 2.711 4.604 ( 1.574 1.933 0.238) 2.504 4.635 ( -0.333 0.223 -2.010) 2.050 4.668 ( 1.287 1.997 -0.125) 2.379 4.702 ( -0.704 -0.952 0.011) 1.184 4.747 ( -0.911 -0.594 -1.152) 1.585 4.805 ( -0.240 1.987 3.565) 4.088 4.881 ( 0.212 1.713 -1.447) 2.253 ======================= Grid point 478 (175/288) ======================= q-point: ( 0.50 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 3.241 6.461 2.771) 7.741 1.164 ( 5.134 5.732 -3.360) 8.397 1.227 ( 7.515 5.934 -1.443) 9.684 1.396 ( 7.077 10.244 -4.354) 13.190 1.479 ( 8.180 4.863 4.502) 10.528 1.580 ( 7.441 6.665 -0.718) 10.015 1.808 ( -3.813 1.895 8.870) 9.839 1.921 ( -0.266 0.165 -5.312) 5.321 2.598 ( 3.858 18.845 8.424) 21.000 2.810 ( 5.513 15.793 -10.594) 19.800 3.268 ( 4.226 8.531 8.941) 13.061 3.509 ( 0.986 8.019 -7.332) 10.911 4.231 ( -3.025 -5.029 6.921) 9.074 4.396 ( -2.073 -3.840 -5.535) 7.048 4.542 ( 0.115 0.295 -0.016) 0.317 4.590 ( -0.883 -2.159 -0.518) 2.389 4.609 ( 1.912 2.335 0.132) 3.021 4.637 ( 1.684 2.544 -0.630) 3.116 4.661 ( 1.686 0.890 -0.330) 1.935 4.688 ( 0.596 0.758 0.286) 1.006 4.717 ( 1.088 1.905 -0.269) 2.210 4.728 ( -0.051 1.484 -1.447) 2.073 4.823 ( -0.391 1.407 3.455) 3.751 4.893 ( 0.178 0.554 -1.589) 1.692 ======================= Grid point 479 (176/288) ======================= q-point: ( 0.57 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 1.905 4.322 -2.073) 5.158 1.228 ( 1.850 4.942 0.209) 5.281 1.474 ( 7.810 8.422 -0.058) 11.486 1.591 ( 3.811 8.655 -1.546) 9.583 1.639 ( 3.854 2.798 6.693) 8.215 1.752 ( 2.795 8.346 0.068) 8.802 1.789 ( -2.036 5.939 1.650) 6.492 1.904 ( 2.676 -3.276 -3.663) 5.596 2.858 ( 6.230 13.785 7.435) 16.856 3.039 ( 7.357 11.367 -8.498) 15.986 3.445 ( 6.190 6.105 7.050) 11.194 3.595 ( 1.443 6.792 -7.204) 10.005 4.142 ( -2.567 -5.164 7.898) 9.779 4.302 ( -2.781 -4.544 -6.473) 8.383 4.506 ( -2.396 -4.327 0.340) 4.957 4.529 ( -2.269 -3.622 0.565) 4.311 4.646 ( 0.562 0.774 -0.238) 0.985 4.675 ( 1.092 1.928 -1.249) 2.543 4.707 ( 1.709 2.885 -0.116) 3.356 4.734 ( 1.456 2.880 0.158) 3.231 4.759 ( 2.456 2.507 0.234) 3.517 4.773 ( 0.810 3.011 -0.207) 3.125 4.832 ( -0.420 0.948 2.385) 2.601 4.894 ( 0.344 -0.390 -1.397) 1.491 ======================= Grid point 480 (177/288) ======================= q-point: ( 0.64 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 0.520 3.375 -0.273) 3.426 1.328 ( 3.118 4.373 1.725) 5.641 1.576 ( -1.296 -1.557 5.028) 5.421 1.645 ( -1.571 4.827 -0.755) 5.132 1.732 ( -0.075 5.359 -1.529) 5.573 1.825 ( 0.292 9.595 -1.784) 9.763 1.884 ( 0.546 9.499 1.052) 9.573 1.972 ( 3.057 4.347 -1.375) 5.489 3.105 ( 7.688 9.368 6.117) 13.575 3.247 ( 7.276 7.386 -6.097) 12.028 3.610 ( 6.209 1.858 5.243) 8.337 3.644 ( 0.132 2.292 -5.616) 6.067 4.093 ( 0.969 -3.269 7.326) 8.080 4.195 ( -2.819 -4.425 -6.714) 8.520 4.404 ( -3.122 -6.200 0.215) 6.945 4.438 ( -2.765 -5.735 0.475) 6.384 4.669 ( 0.728 1.258 -0.123) 1.459 4.701 ( 0.499 1.389 -0.256) 1.498 4.763 ( 0.837 3.263 0.073) 3.369 4.779 ( -0.430 2.736 0.648) 2.844 4.804 ( 0.329 1.813 -0.090) 1.845 4.815 ( 1.362 0.769 0.581) 1.669 4.847 ( 0.547 2.541 0.420) 2.633 4.899 ( 0.590 0.190 -0.787) 1.001 ======================= Grid point 481 (178/288) ======================= q-point: ( 0.71 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 1.216 2.866 3.620) 4.774 1.386 ( -0.847 0.764 4.131) 4.285 1.531 ( -2.572 -1.528 -1.463) 3.330 1.624 ( 0.714 -0.669 -0.826) 1.280 1.773 ( -4.092 9.667 -2.885) 10.887 1.917 ( -2.216 10.094 1.169) 10.400 1.956 ( -3.068 8.726 0.387) 9.258 2.038 ( -1.812 6.707 -1.366) 7.080 3.297 ( 3.209 4.852 2.681) 6.405 3.400 ( 4.785 4.523 -0.722) 6.624 3.602 ( -1.337 -2.782 -2.303) 3.851 3.711 ( 3.841 -3.288 1.821) 5.373 4.108 ( -1.495 -2.732 -3.511) 4.693 4.147 ( 4.928 -0.162 3.270) 5.916 4.295 ( -1.403 -6.238 -0.082) 6.394 4.344 ( -0.768 -6.000 -0.340) 6.059 4.689 ( 0.185 0.977 0.449) 1.091 4.718 ( 0.028 0.858 0.651) 1.078 4.776 ( -1.415 1.239 -0.696) 2.006 4.797 ( -0.515 2.169 0.406) 2.266 4.810 ( -0.354 0.971 0.208) 1.054 4.844 ( 0.528 1.122 0.560) 1.360 4.884 ( 0.101 2.426 -0.043) 2.429 4.908 ( -0.345 1.075 -0.516) 1.241 ======================= Grid point 482 (179/288) ======================= q-point: (-0.21 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 2.308 1.889 6.865) 7.485 1.351 ( -2.681 -1.125 3.570) 4.604 1.434 ( -5.062 -2.528 -4.151) 7.018 1.689 ( 4.137 2.127 -1.240) 4.814 1.759 ( -7.448 8.848 -2.298) 11.791 1.937 ( -6.045 7.122 2.292) 9.619 1.950 ( -6.226 6.682 -0.653) 9.157 2.032 ( -5.438 5.203 -1.531) 7.680 3.249 ( -8.527 -2.497 1.673) 9.041 3.500 ( 0.179 2.557 3.054) 3.987 3.543 ( -3.715 -2.906 -4.601) 6.589 3.734 ( 6.541 -4.811 1.422) 8.243 4.020 ( -5.565 -2.775 -1.051) 6.306 4.256 ( 6.498 -0.140 2.461) 6.950 4.274 ( 3.681 -2.949 -1.873) 5.075 4.326 ( 5.049 -2.893 -0.310) 5.828 4.692 ( -0.722 0.266 0.401) 0.868 4.722 ( -0.377 0.524 1.039) 1.223 4.755 ( -1.421 0.425 -0.561) 1.586 4.800 ( -2.016 1.766 0.159) 2.685 4.812 ( -0.803 1.363 0.272) 1.605 4.851 ( -0.579 0.391 0.394) 0.802 4.885 ( -2.044 1.059 -0.007) 2.303 4.908 ( -0.509 0.870 -0.652) 1.200 ======================= Grid point 483 (180/288) ======================= q-point: (-0.14 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -5.677 -0.000 1.316) 5.828 1.319 ( -2.113 -3.418 -4.704) 6.187 1.390 ( 2.711 1.686 9.184) 9.723 1.660 ( -10.639 6.115 -2.612) 12.546 1.773 ( -1.443 2.258 0.300) 2.696 1.860 ( -8.319 3.912 0.084) 9.194 1.892 ( -5.853 3.836 0.788) 7.043 1.955 ( -5.700 0.294 -2.045) 6.063 3.033 ( -12.730 -3.611 2.944) 13.556 3.384 ( -8.987 -3.234 -7.093) 11.897 3.458 ( -6.516 0.270 5.163) 8.318 3.814 ( 1.434 -3.943 -4.854) 6.416 3.918 ( 0.176 0.344 6.222) 6.234 4.320 ( 5.103 -1.232 -4.742) 7.075 4.377 ( 6.792 0.007 2.627) 7.282 4.423 ( 6.572 -0.426 0.550) 6.608 4.676 ( -1.158 0.034 -0.308) 1.199 4.716 ( -0.862 0.002 -0.137) 0.873 4.742 ( -1.248 1.174 1.051) 2.010 4.764 ( -3.142 0.361 0.328) 3.180 4.792 ( -2.723 0.423 0.318) 2.774 4.837 ( -1.962 0.262 -0.077) 1.981 4.844 ( -3.134 0.308 0.288) 3.162 4.908 ( 0.343 -0.038 -0.904) 0.968 ======================= Grid point 491 (181/288) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -0.000 7.155 2.733) 7.659 0.996 ( -0.000 7.630 4.803) 9.016 1.173 ( 0.000 6.233 -5.809) 8.520 1.238 ( 0.000 5.596 -6.860) 8.852 1.281 ( -0.000 4.385 4.285) 6.131 1.382 ( -0.000 4.222 -0.522) 4.254 1.880 ( -0.000 1.398 10.232) 10.327 1.947 ( 0.000 3.005 -6.900) 7.526 2.557 ( -0.000 22.108 8.473) 23.676 2.735 ( 0.000 19.790 -11.905) 23.094 3.207 ( -0.000 10.291 9.599) 14.073 3.503 ( 0.000 9.227 -6.788) 11.455 4.295 ( -0.000 -4.607 6.441) 7.919 4.440 ( 0.000 -2.949 -4.912) 5.729 4.542 ( -0.000 1.758 0.043) 1.759 4.545 ( 0.000 1.792 -0.499) 1.860 4.573 ( -0.000 1.871 -0.277) 1.892 4.606 ( -0.000 1.685 0.407) 1.734 4.633 ( 0.000 -0.864 -1.975) 2.155 4.673 ( -0.000 1.848 -0.103) 1.850 4.702 ( 0.000 -0.549 0.064) 0.552 4.747 ( 0.000 -0.430 -1.461) 1.523 4.832 ( -0.000 1.792 3.182) 3.652 4.894 ( 0.000 1.380 -1.440) 1.995 ======================= Grid point 492 (182/288) ======================= q-point: ( 0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 11.251 6.120 1.411) 12.885 1.082 ( 1.015 6.831 2.334) 7.290 1.231 ( 0.401 4.801 -4.676) 6.714 1.345 ( 6.835 7.556 -3.684) 10.834 1.392 ( 6.754 3.750 3.903) 8.655 1.487 ( 7.284 3.863 -0.592) 8.267 1.880 ( -1.899 -1.069 10.025) 10.259 1.932 ( -1.424 -0.830 -7.526) 7.704 2.776 ( 0.097 19.112 7.644) 20.584 2.911 ( 0.902 17.780 -10.468) 20.653 3.333 ( 0.997 9.874 7.862) 12.661 3.588 ( -0.439 10.521 -6.448) 12.347 4.240 ( -2.214 -4.892 7.156) 8.946 4.386 ( -1.766 -3.107 -5.682) 6.713 4.549 ( -0.543 0.349 0.318) 0.720 4.578 ( 0.645 0.616 -0.525) 1.035 4.600 ( 0.848 0.282 0.280) 0.937 4.623 ( 1.452 0.909 -0.931) 1.949 4.641 ( 1.835 1.411 0.446) 2.357 4.690 ( -0.168 -0.120 0.008) 0.206 4.710 ( 1.606 1.702 -0.241) 2.352 4.741 ( -0.255 0.966 -1.738) 2.004 4.849 ( -0.389 1.166 2.627) 2.900 4.899 ( -0.275 0.602 -1.341) 1.496 ======================= Grid point 493 (183/288) ======================= q-point: ( 0.57 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 1.516 5.509 -2.250) 6.141 1.256 ( 1.971 5.372 -1.399) 5.890 1.350 ( 12.422 5.300 1.981) 13.650 1.546 ( 7.581 3.188 2.653) 8.642 1.576 ( 8.862 5.786 0.251) 10.587 1.681 ( 10.267 3.428 -0.474) 10.834 1.849 ( -1.503 -0.538 0.774) 1.774 1.874 ( -1.227 -1.621 -0.987) 2.260 2.964 ( 0.749 15.289 6.687) 16.704 3.077 ( 1.876 14.425 -8.838) 17.021 3.456 ( 1.955 7.240 6.498) 9.923 3.663 ( -1.164 9.382 -6.495) 11.470 4.155 ( -3.182 -5.084 8.048) 10.038 4.302 ( -3.042 -3.225 -6.372) 7.763 4.507 ( -2.545 -3.975 0.428) 4.739 4.534 ( -2.353 -3.418 0.227) 4.155 4.641 ( 1.178 1.234 0.151) 1.713 4.668 ( 1.549 1.745 -1.140) 2.597 4.693 ( 2.835 1.999 0.221) 3.476 4.719 ( 2.402 1.536 0.482) 2.892 4.749 ( 1.341 2.066 -0.807) 2.592 4.777 ( 2.065 2.737 -0.297) 3.442 4.851 ( -0.641 0.531 1.507) 1.721 4.892 ( -0.448 -0.055 -0.903) 1.010 ======================= Grid point 494 (184/288) ======================= q-point: ( 0.64 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 0.639 4.331 -3.354) 5.515 1.334 ( 1.845 5.221 1.233) 5.673 1.558 ( 2.919 -1.651 4.722) 5.792 1.661 ( 5.008 2.146 2.936) 6.189 1.717 ( 2.472 -0.809 -3.455) 4.325 1.838 ( 6.406 5.072 -2.764) 8.626 1.902 ( 6.543 5.339 -1.001) 8.504 1.941 ( 5.338 5.102 2.127) 7.684 3.132 ( 2.571 11.220 5.356) 12.696 3.232 ( 3.392 10.900 -6.728) 13.251 3.561 ( 3.022 2.883 4.928) 6.460 3.696 ( -2.737 4.995 -5.567) 7.965 4.079 ( -1.613 -3.570 7.913) 8.829 4.203 ( -3.549 -2.483 -6.479) 7.793 4.403 ( -3.678 -5.896 0.359) 6.958 4.438 ( -3.614 -5.475 0.422) 6.573 4.669 ( 0.815 1.449 -0.125) 1.668 4.704 ( 0.735 1.461 -0.624) 1.750 4.762 ( 2.479 1.956 0.248) 3.167 4.779 ( 2.418 0.905 0.751) 2.689 4.797 ( 1.471 1.793 0.151) 2.324 4.828 ( -0.153 1.997 -0.625) 2.098 4.853 ( 0.997 1.116 0.014) 1.497 4.891 ( 0.566 0.553 -0.054) 0.793 ======================= Grid point 495 (185/288) ======================= q-point: ( 0.71 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.380 3.353 -0.714) 3.450 1.410 ( 0.659 2.581 1.960) 3.307 1.527 ( -0.266 -3.332 3.349) 4.732 1.617 ( -2.578 -3.481 -3.491) 5.563 1.854 ( 4.199 5.653 -0.040) 7.042 1.993 ( 3.472 6.775 -0.790) 7.654 2.038 ( 2.578 5.281 0.685) 5.917 2.083 ( 3.614 5.148 -0.230) 6.294 3.294 ( 4.444 7.671 3.177) 9.417 3.381 ( 3.912 8.008 -3.516) 9.581 3.606 ( -0.559 -3.240 0.879) 3.404 3.650 ( -1.832 -1.264 -0.534) 2.289 4.077 ( 2.066 -0.356 4.084) 4.591 4.130 ( -1.885 0.622 -4.226) 4.669 4.277 ( -3.645 -6.334 0.107) 7.309 4.318 ( -3.287 -6.109 0.273) 6.943 4.694 ( 0.507 1.135 0.055) 1.244 4.724 ( 0.323 0.941 0.030) 0.995 4.791 ( 0.304 -0.645 0.728) 1.020 4.810 ( -0.619 -0.152 -0.576) 0.859 4.821 ( 0.835 1.622 0.013) 1.824 4.845 ( 1.037 1.851 -0.031) 2.122 4.897 ( 1.153 2.042 0.029) 2.346 4.916 ( 0.790 1.160 -0.064) 1.405 ======================= Grid point 496 (186/288) ======================= q-point: (-0.21 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 0.995 1.573 2.263) 2.930 1.376 ( -2.552 -3.429 1.797) 4.637 1.503 ( -4.340 0.975 -0.881) 4.535 1.602 ( 5.276 -0.744 -1.292) 5.482 1.919 ( -2.458 4.679 -0.920) 5.365 2.065 ( -1.707 4.162 0.306) 4.508 2.082 ( -2.567 3.101 0.459) 4.051 2.142 ( -1.657 3.337 -0.573) 3.770 3.379 ( -5.880 3.196 0.091) 6.693 3.508 ( 4.702 4.330 2.606) 6.903 3.543 ( 1.084 -1.409 -0.119) 1.782 3.605 ( -0.102 -6.363 -2.210) 6.736 4.090 ( -3.509 1.315 -0.666) 3.806 4.172 ( 4.012 1.218 1.376) 4.413 4.191 ( 2.172 -3.133 0.208) 3.818 4.230 ( 0.570 -4.945 -0.972) 5.071 4.704 ( -0.273 0.234 0.283) 0.458 4.731 ( -0.190 0.098 0.430) 0.480 4.779 ( -1.182 0.141 -0.230) 1.213 4.809 ( 1.122 -0.104 -0.061) 1.128 4.839 ( -0.630 0.944 0.078) 1.138 4.864 ( -0.329 0.657 -0.006) 0.735 4.919 ( -0.547 0.953 0.019) 1.099 4.929 ( -0.400 0.769 -0.115) 0.874 ======================= Grid point 497 (187/288) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -1.645 -3.732 -0.893) 4.175 1.338 ( 0.537 -1.004 2.127) 2.413 1.441 ( -4.321 3.143 3.539) 6.409 1.699 ( 5.844 -0.368 -2.771) 6.478 1.862 ( -7.181 1.220 -0.521) 7.303 2.006 ( -6.778 -0.992 0.491) 6.868 2.023 ( -6.131 0.165 -0.118) 6.134 2.091 ( -6.281 0.574 -0.361) 6.317 3.223 ( -11.207 -0.224 2.163) 11.416 3.479 ( -5.821 -1.933 -4.694) 7.723 3.562 ( -2.326 2.357 3.122) 4.551 3.668 ( 8.515 -1.007 -0.699) 8.603 4.004 ( -5.785 1.148 2.116) 6.266 4.217 ( 4.064 -1.627 -3.584) 5.658 4.268 ( 6.497 0.465 1.085) 6.603 4.303 ( 6.956 0.503 0.881) 7.030 4.693 ( -0.890 -0.223 -0.013) 0.917 4.723 ( -0.480 -0.562 0.089) 0.744 4.766 ( -0.872 0.691 1.142) 1.594 4.817 ( -2.336 -0.088 0.053) 2.338 4.828 ( 0.288 -0.253 -0.388) 0.545 4.849 ( -1.255 -0.150 -0.360) 1.314 4.896 ( -2.431 -0.023 -0.005) 2.431 4.919 ( -1.133 0.194 -0.151) 1.160 ======================= Grid point 506 (188/288) ======================= q-point: ( 0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -0.000 4.956 2.402) 5.508 1.149 ( -0.000 6.805 0.792) 6.851 1.263 ( 0.000 4.792 -5.252) 7.109 1.350 ( 0.000 7.314 -2.202) 7.639 1.367 ( -0.000 2.837 3.645) 4.619 1.452 ( -0.000 3.000 -0.476) 3.038 1.886 ( -0.000 -3.652 7.234) 8.104 1.911 ( 0.000 -3.344 -5.442) 6.387 2.967 ( -0.000 16.677 6.048) 17.740 3.063 ( 0.000 16.799 -9.082) 19.097 3.435 ( -0.000 9.029 6.799) 11.302 3.693 ( 0.000 11.403 -5.946) 12.860 4.226 ( -0.000 -4.746 7.475) 8.855 4.368 ( 0.000 -2.061 -6.035) 6.377 4.571 ( -0.000 -0.377 0.475) 0.607 4.574 ( -0.000 1.399 0.047) 1.400 4.595 ( 0.000 -1.727 0.137) 1.733 4.606 ( 0.000 1.531 -0.361) 1.573 4.638 ( -0.000 1.356 0.451) 1.429 4.687 ( 0.000 -0.925 -0.267) 0.963 4.707 ( -0.000 1.582 -0.131) 1.587 4.750 ( 0.000 1.409 -1.989) 2.438 4.865 ( -0.000 0.624 1.787) 1.893 4.903 ( 0.000 0.060 -0.906) 0.908 ======================= Grid point 507 (189/288) ======================= q-point: ( 0.57 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 11.065 3.821 1.094) 11.757 1.206 ( -0.050 5.685 -2.257) 6.117 1.320 ( 1.479 4.855 -1.662) 5.340 1.451 ( 6.026 2.069 3.088) 7.080 1.484 ( 7.003 6.230 -0.905) 9.417 1.546 ( 7.466 2.249 -0.360) 7.806 1.836 ( -0.799 -4.438 -6.997) 8.324 1.868 ( -0.306 -3.901 7.583) 8.533 3.119 ( -0.527 13.133 4.028) 13.747 3.200 ( -0.379 14.343 -7.046) 15.985 3.522 ( -0.034 6.107 5.946) 8.524 3.777 ( -1.608 10.007 -6.052) 11.805 4.172 ( -2.401 -4.557 8.012) 9.525 4.319 ( -2.549 -1.058 -6.166) 6.755 4.517 ( -2.807 -3.672 0.525) 4.652 4.548 ( -2.655 -2.265 0.258) 3.500 4.626 ( 2.377 1.456 0.560) 2.844 4.649 ( 2.507 1.349 -0.551) 2.900 4.665 ( 1.457 0.991 0.102) 1.765 4.693 ( 1.814 0.524 0.145) 1.894 4.738 ( 1.641 1.315 -0.510) 2.164 4.771 ( 1.032 2.223 -1.380) 2.812 4.867 ( -0.463 0.156 0.770) 0.912 4.897 ( -0.342 -0.476 -0.240) 0.633 ======================= Grid point 508 (190/288) ======================= q-point: ( 0.64 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 0.537 4.849 -5.514) 7.362 1.354 ( 3.919 4.140 -0.863) 5.766 1.436 ( 10.184 2.397 2.555) 10.770 1.565 ( 5.376 -1.897 6.720) 8.812 1.653 ( 4.270 -0.135 -2.828) 5.124 1.720 ( 10.267 3.176 -1.383) 10.836 1.809 ( 5.471 0.044 -5.598) 7.828 1.884 ( 4.557 -0.301 5.652) 7.266 3.226 ( -0.145 9.049 2.200) 9.313 3.311 ( -0.048 11.525 -5.028) 12.574 3.571 ( 0.013 1.890 4.799) 5.157 3.802 ( -3.953 5.794 -5.501) 8.914 4.098 ( -2.672 -3.096 7.727) 8.743 4.247 ( -3.947 0.454 -5.724) 6.968 4.415 ( -4.005 -5.062 0.529) 6.476 4.457 ( -4.144 -4.130 0.511) 5.873 4.669 ( 0.900 1.398 -0.075) 1.665 4.696 ( 1.755 1.219 -0.612) 2.223 4.721 ( 3.341 0.622 0.440) 3.427 4.745 ( 2.811 0.957 0.025) 2.969 4.780 ( 1.920 1.076 -0.453) 2.247 4.824 ( 2.530 2.008 -0.459) 3.262 4.858 ( -0.743 0.240 -0.542) 0.951 4.888 ( 0.071 -0.404 0.720) 0.829 ======================= Grid point 509 (191/288) ======================= q-point: ( 0.71 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 0.219 4.040 -5.182) 6.575 1.418 ( 1.229 1.784 -1.391) 2.574 1.498 ( -0.288 -5.068 4.763) 6.961 1.628 ( -1.749 -0.970 -1.492) 2.496 1.743 ( 11.965 1.406 2.374) 12.279 1.929 ( 9.174 3.326 -1.117) 9.822 1.966 ( 8.973 1.456 -1.377) 9.194 2.020 ( 7.679 1.840 2.000) 8.146 3.307 ( 1.839 4.195 1.016) 4.692 3.415 ( 1.474 8.768 -3.562) 9.578 3.576 ( -0.001 -2.247 2.654) 3.478 3.729 ( -6.708 -0.122 -1.549) 6.886 4.066 ( -0.149 -0.560 3.921) 3.964 4.188 ( -3.544 2.980 -4.030) 6.139 4.293 ( -4.466 -4.579 0.369) 6.407 4.338 ( -4.816 -4.118 0.751) 6.381 4.694 ( 0.697 0.893 -0.383) 1.196 4.725 ( 0.647 0.699 -0.559) 1.105 4.767 ( 1.640 -0.735 0.838) 1.983 4.800 ( 2.215 0.603 -0.170) 2.302 4.813 ( 1.116 0.232 -0.307) 1.180 4.850 ( -0.114 0.840 -0.463) 0.966 4.884 ( 2.175 1.260 -0.049) 2.514 4.903 ( 1.511 0.230 0.439) 1.590 ======================= Grid point 510 (192/288) ======================= q-point: (-0.21 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -0.306 2.293 -2.642) 3.512 1.382 ( -2.542 -4.506 -0.233) 5.179 1.502 ( 4.254 -2.355 -0.207) 4.867 1.594 ( -3.368 3.493 1.540) 5.091 1.915 ( 5.769 0.141 0.834) 5.830 2.067 ( 4.241 0.740 -0.551) 4.340 2.084 ( 3.756 -0.780 -0.227) 3.843 2.139 ( 4.034 0.205 0.551) 4.077 3.380 ( 5.546 -2.676 -0.118) 6.159 3.521 ( 1.456 6.240 -2.650) 6.934 3.542 ( -1.492 -0.122 0.095) 1.500 3.593 ( -5.817 -3.683 2.384) 7.286 4.087 ( 3.208 -1.725 0.477) 3.674 4.178 ( -1.811 3.113 -1.060) 3.754 4.192 ( -3.275 0.788 -0.387) 3.391 4.225 ( -4.492 -2.142 1.007) 5.077 4.705 ( 0.214 -0.116 -0.228) 0.334 4.733 ( -0.017 -0.084 -0.323) 0.334 4.778 ( 0.961 -0.665 0.038) 1.169 4.809 ( -0.770 0.663 0.173) 1.031 4.839 ( 1.092 -0.060 -0.065) 1.096 4.864 ( 0.729 0.029 0.009) 0.730 4.919 ( 1.090 -0.001 -0.013) 1.090 4.929 ( 0.933 0.030 0.088) 0.938 ======================= Grid point 511 (193/288) ======================= q-point: (-0.14 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -2.357 -4.083 0.000) 4.715 1.327 ( 0.119 0.206 -0.000) 0.238 1.534 ( -0.082 -0.142 -0.000) 0.164 1.607 ( 1.572 2.723 0.000) 3.145 1.931 ( -1.951 -3.379 0.000) 3.902 2.061 ( -2.799 -4.849 -0.000) 5.599 2.078 ( -1.828 -3.167 0.000) 3.656 2.149 ( -1.584 -2.743 0.000) 3.167 3.379 ( -3.140 -5.439 0.000) 6.281 3.475 ( -0.942 -1.631 -0.000) 1.884 3.544 ( 1.220 2.113 0.000) 2.440 3.630 ( 2.619 4.536 0.000) 5.238 4.103 ( -0.684 -1.185 0.000) 1.368 4.150 ( -0.570 -0.987 -0.000) 1.140 4.189 ( 2.127 3.685 -0.000) 4.255 4.242 ( 2.433 4.213 0.000) 4.865 4.699 ( -0.354 -0.613 0.000) 0.708 4.724 ( -0.369 -0.640 0.000) 0.739 4.789 ( 0.089 0.154 -0.000) 0.178 4.805 ( 0.069 0.120 0.000) 0.138 4.838 ( -0.618 -1.070 -0.000) 1.236 4.864 ( -0.409 -0.709 -0.000) 0.818 4.919 ( -0.559 -0.969 -0.000) 1.119 4.931 ( -0.331 -0.573 -0.000) 0.662 ======================= Grid point 522 (194/288) ======================= q-point: ( 0.57 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -0.000 2.375 2.199) 3.237 1.265 ( 0.000 5.238 -2.947) 6.010 1.323 ( 0.000 3.036 -4.908) 5.771 1.417 ( -0.000 0.992 3.167) 3.319 1.496 ( 0.000 1.582 -0.393) 1.630 1.499 ( -0.000 7.446 0.396) 7.457 1.777 ( 0.000 -5.601 -7.764) 9.573 1.838 ( -0.000 -4.952 8.679) 9.993 3.239 ( -0.000 9.104 1.024) 9.162 3.325 ( 0.000 11.949 -4.797) 12.876 3.581 ( -0.000 3.061 5.697) 6.467 3.874 ( 0.000 8.195 -6.135) 10.237 4.166 ( -0.000 -3.915 7.925) 8.839 4.335 ( 0.000 1.234 -5.821) 5.950 4.512 ( -0.000 -4.085 1.039) 4.215 4.577 ( -0.000 -1.689 0.896) 1.912 4.596 ( -0.000 0.768 0.040) 0.769 4.629 ( 0.000 0.878 -0.446) 0.985 4.661 ( -0.000 0.733 0.509) 0.892 4.681 ( 0.000 0.521 -0.531) 0.744 4.732 ( -0.000 0.921 -0.160) 0.935 4.780 ( 0.000 2.081 -2.082) 2.944 4.871 ( -0.000 -0.280 0.423) 0.508 4.893 ( -0.000 -0.807 0.253) 0.846 ======================= Grid point 523 (195/288) ======================= q-point: ( 0.64 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 10.910 1.101 0.889) 11.001 1.290 ( -0.352 4.060 -5.075) 6.509 1.385 ( 3.276 1.856 -2.381) 4.455 1.472 ( 4.488 -0.883 3.934) 6.033 1.564 ( 5.740 0.621 -0.797) 5.828 1.608 ( 5.658 4.765 -1.314) 7.513 1.720 ( 1.459 -4.159 -4.842) 6.547 1.822 ( 1.744 -2.462 6.855) 7.489 3.300 ( -0.426 4.007 -0.675) 4.086 3.415 ( -0.585 8.823 -3.774) 9.614 3.597 ( -0.752 -0.487 5.516) 5.589 3.905 ( -2.834 4.600 -5.785) 7.916 4.123 ( -2.022 -3.285 6.913) 7.916 4.319 ( -3.056 3.143 -4.804) 6.504 4.440 ( -3.573 -3.642 1.278) 5.260 4.502 ( -4.533 -2.094 0.597) 5.029 4.648 ( 3.065 0.523 0.180) 3.115 4.666 ( 2.929 0.403 -0.200) 2.964 4.682 ( 1.100 0.667 -0.208) 1.303 4.703 ( 2.417 0.268 0.003) 2.432 4.756 ( 1.717 0.564 -0.407) 1.853 4.805 ( 1.221 1.497 -2.102) 2.855 4.865 ( -0.147 -0.661 0.299) 0.740 4.886 ( -0.239 -0.244 0.810) 0.879 ======================= Grid point 524 (196/288) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 0.944 3.618 -7.757) 8.611 1.381 ( 4.607 -0.916 -1.985) 5.100 1.439 ( 3.461 -2.824 0.185) 4.471 1.538 ( 8.211 -2.885 6.303) 10.746 1.644 ( 2.437 1.810 -0.982) 3.190 1.779 ( 9.944 2.112 -1.733) 10.312 1.791 ( 9.991 -1.341 -1.278) 10.161 1.895 ( 6.721 -0.021 4.016) 7.829 3.302 ( -0.005 -2.233 -1.634) 2.767 3.472 ( -0.055 5.424 -3.388) 6.396 3.568 ( -1.167 -3.491 5.246) 6.409 3.848 ( -6.236 1.779 -3.157) 7.212 4.067 ( -1.387 -3.742 3.281) 5.167 4.288 ( -4.060 4.784 -3.322) 7.100 4.342 ( -4.627 -1.876 1.672) 5.266 4.402 ( -5.211 -0.712 0.468) 5.280 4.686 ( 0.891 0.145 -0.484) 1.025 4.707 ( 1.889 0.100 -0.450) 1.944 4.725 ( 2.842 -0.290 0.383) 2.883 4.755 ( 3.123 -0.021 -0.133) 3.126 4.789 ( 1.611 0.070 -0.495) 1.687 4.839 ( 1.914 -0.027 -1.805) 2.631 4.864 ( 0.910 -0.386 0.290) 1.030 4.886 ( 0.121 0.484 1.336) 1.426 ======================= Grid point 525 (197/288) ======================= q-point: (-0.21 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -0.537 3.453 -7.115) 7.927 1.370 ( -0.548 -3.635 -3.373) 4.989 1.413 ( 1.435 -5.294 3.398) 6.452 1.679 ( 0.080 4.098 2.343) 4.721 1.748 ( 11.256 -1.433 2.055) 11.531 1.945 ( 8.910 -2.189 0.104) 9.176 1.952 ( 8.959 -1.696 -1.978) 9.330 2.024 ( 7.695 -2.115 1.820) 8.185 3.259 ( 1.872 -8.130 -2.270) 8.647 3.511 ( 1.183 -1.715 0.809) 2.235 3.523 ( 0.710 -2.204 1.182) 2.600 3.740 ( -8.073 3.278 -0.791) 8.749 4.017 ( 0.809 -5.373 -0.129) 5.435 4.259 ( -4.202 1.285 2.048) 4.848 4.271 ( -3.655 4.853 -1.490) 6.256 4.325 ( -5.039 3.400 -0.097) 6.079 4.694 ( 0.570 -0.661 -0.333) 0.934 4.727 ( 0.564 -0.156 -0.739) 0.943 4.754 ( 1.223 -0.686 0.063) 1.404 4.800 ( 2.486 -0.819 -0.086) 2.619 4.813 ( 1.468 -0.055 -0.263) 1.492 4.853 ( 0.265 -0.381 -0.220) 0.514 4.885 ( 1.967 -1.240 0.009) 2.325 4.905 ( 1.285 -0.060 0.641) 1.437 ======================= Grid point 537 (198/288) ======================= q-point: (-0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -0.000 -0.404 2.082) 2.121 1.323 ( 0.000 1.354 -3.930) 4.157 1.347 ( 0.000 1.057 -4.861) 4.975 1.429 ( -0.000 -0.819 2.987) 3.098 1.511 ( 0.000 0.092 -0.312) 0.325 1.585 ( 0.000 0.775 -8.591) 8.626 1.660 ( -0.000 -4.787 3.170) 5.742 1.817 ( -0.000 2.353 5.773) 6.234 3.311 ( 0.000 -1.956 -2.320) 3.035 3.482 ( 0.000 4.877 -3.581) 6.051 3.597 ( -0.000 -3.319 6.582) 7.371 3.959 ( 0.000 3.303 -6.182) 7.009 4.113 ( -0.000 -5.046 5.724) 7.631 4.380 ( 0.000 4.772 -3.945) 6.191 4.451 ( -0.000 -2.184 2.747) 3.510 4.549 ( -0.000 -0.701 0.358) 0.787 4.603 ( -0.000 -0.016 0.027) 0.031 4.636 ( 0.000 0.069 -0.495) 0.499 4.669 ( -0.000 -0.084 0.545) 0.552 4.689 ( 0.000 0.266 -0.644) 0.697 4.741 ( 0.000 0.021 -0.184) 0.185 4.803 ( 0.000 0.958 -3.313) 3.449 4.853 ( -0.000 -1.710 0.955) 1.958 4.894 ( -0.000 0.925 0.927) 1.309 ======================= Grid point 538 (199/288) ======================= q-point: (-0.29 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 10.285 -1.835 0.560) 10.463 1.322 ( 1.198 -0.078 -3.310) 3.521 1.372 ( 2.167 -1.060 -4.523) 5.126 1.445 ( 2.018 -3.125 4.007) 5.468 1.561 ( 5.604 -0.026 -1.837) 5.897 1.611 ( 6.430 -2.327 -5.408) 8.718 1.663 ( 4.801 -1.907 1.060) 5.273 1.872 ( 0.422 4.838 5.342) 7.220 3.254 ( -0.505 -7.559 -3.252) 8.244 3.499 ( -0.272 0.423 -3.317) 3.355 3.551 ( -1.025 -6.385 6.990) 9.523 3.951 ( -3.289 3.436 -5.961) 7.626 4.044 ( -1.591 -7.353 4.233) 8.632 4.395 ( -3.046 4.850 -2.400) 6.210 4.409 ( -3.470 0.059 2.896) 4.520 4.492 ( -4.548 1.330 -0.164) 4.742 4.647 ( 3.104 -0.685 -0.027) 3.179 4.664 ( 2.922 -0.477 -0.231) 2.970 4.686 ( 1.154 -0.245 -0.007) 1.180 4.702 ( 2.203 -0.371 -0.063) 2.235 4.757 ( 1.840 -0.324 -0.315) 1.895 4.809 ( 0.748 -0.054 -3.078) 3.168 4.840 ( 0.397 -1.654 0.623) 1.811 4.904 ( -0.375 1.241 1.295) 1.832 ======================= Grid point 539 (200/288) ======================= q-point: (-0.21 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 3.792 -4.526 -3.010) 6.628 1.370 ( 0.964 -3.677 2.486) 4.542 1.375 ( 0.527 2.496 -8.124) 8.515 1.489 ( 11.106 -4.242 4.956) 12.881 1.679 ( 7.103 0.838 -1.971) 7.419 1.736 ( 10.830 -3.719 -0.109) 11.452 1.776 ( 9.283 -1.783 -2.220) 9.710 1.929 ( 1.029 2.045 4.343) 4.909 3.143 ( -0.151 -11.800 -3.545) 12.322 3.460 ( -0.622 -8.541 6.330) 10.649 3.483 ( 0.351 -4.247 -2.861) 5.133 3.897 ( -6.053 2.687 -0.813) 6.673 3.953 ( -0.499 -6.030 -1.310) 6.191 4.351 ( -4.049 1.631 4.176) 6.041 4.387 ( -3.749 5.609 -2.535) 7.207 4.443 ( -4.184 4.025 -0.508) 5.828 4.672 ( 1.098 -1.112 0.062) 1.564 4.703 ( 1.766 -0.320 -0.434) 1.846 4.712 ( 2.730 -1.108 0.044) 2.946 4.742 ( 2.871 -1.236 -0.130) 3.128 4.781 ( 1.368 -0.713 -0.639) 1.670 4.821 ( 1.952 -1.257 -1.241) 2.633 4.839 ( 1.290 -1.769 -0.253) 2.204 4.908 ( -0.568 0.841 1.343) 1.683 ======================= Grid point 552 (201/288) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -0.000 -3.174 2.096) 3.804 1.283 ( 0.000 -4.232 -0.289) 4.242 1.329 ( 0.000 -1.069 -5.138) 5.248 1.407 ( -0.000 -2.498 3.105) 3.985 1.497 ( 0.000 -1.400 -0.245) 1.421 1.518 ( 0.000 -4.600 -1.878) 4.968 1.609 ( 0.000 0.661 -6.796) 6.828 1.938 ( -0.000 5.984 5.189) 7.921 3.158 ( 0.000 -11.754 -4.003) 12.417 3.474 ( 0.000 -5.400 -0.888) 5.473 3.496 ( -0.000 -8.625 5.222) 10.083 3.962 ( 0.000 -6.542 -4.001) 7.668 4.027 ( -0.000 1.355 1.403) 1.951 4.446 ( -0.000 0.276 4.731) 4.739 4.473 ( 0.000 5.079 -3.005) 5.901 4.560 ( 0.000 1.525 -0.607) 1.641 4.595 ( 0.000 -0.796 0.010) 0.796 4.628 ( 0.000 -0.726 -0.471) 0.866 4.661 ( -0.000 -0.920 0.517) 1.055 4.688 ( -0.000 -0.054 0.035) 0.065 4.732 ( 0.000 -0.876 -0.190) 0.896 4.797 ( 0.000 -0.394 -2.810) 2.837 4.822 ( 0.000 -1.372 -0.159) 1.381 4.922 ( -0.000 1.094 1.350) 1.738 ======================= Grid point 553 (202/288) ======================= q-point: (-0.21 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 8.618 -4.805 0.171) 9.869 1.257 ( 3.589 -5.543 3.535) 7.491 1.342 ( 3.314 -0.874 -6.371) 7.234 1.389 ( 0.284 -3.496 4.066) 5.370 1.527 ( 6.759 -4.859 0.755) 8.358 1.546 ( 7.159 -1.731 -0.563) 7.386 1.636 ( 3.560 0.802 -9.354) 10.041 1.989 ( -1.391 4.290 4.528) 6.391 3.011 ( -0.529 -15.142 -4.172) 15.715 3.383 ( -0.698 -12.209 8.306) 14.783 3.413 ( -0.011 -8.314 -4.273) 9.348 3.865 ( -0.597 -9.991 -0.134) 10.009 4.030 ( -3.225 5.063 -2.390) 6.461 4.435 ( -2.673 1.616 4.955) 5.857 4.489 ( -2.617 4.669 -2.924) 6.099 4.535 ( -2.774 2.419 -0.600) 3.729 4.625 ( 2.644 -1.443 0.063) 3.013 4.647 ( 2.755 -1.166 -0.328) 3.010 4.673 ( 1.970 -1.139 0.457) 2.321 4.693 ( 0.783 -0.293 0.231) 0.867 4.741 ( 2.001 -1.230 -0.224) 2.359 4.787 ( 0.201 -1.145 -1.352) 1.783 4.811 ( 0.196 -1.215 -1.408) 1.871 4.928 ( -0.465 0.566 1.286) 1.480 ======================= Grid point 567 (203/288) ======================= q-point: (-0.21 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -0.000 -5.759 2.304) 6.203 1.171 ( -0.000 -7.828 4.060) 8.818 1.269 ( 0.000 -3.126 -5.659) 6.465 1.353 ( -0.000 -4.033 3.422) 5.289 1.430 ( -0.000 -3.853 4.332) 5.798 1.455 ( 0.000 -2.847 -0.218) 2.856 1.617 ( 0.000 3.069 -13.977) 14.310 2.046 ( -0.000 2.552 3.917) 4.675 2.844 ( 0.000 -18.259 -4.376) 18.776 3.270 ( -0.000 -14.922 9.645) 17.768 3.305 ( 0.000 -11.587 -5.686) 12.907 3.768 ( 0.000 -10.525 -0.093) 10.526 4.105 ( 0.000 5.221 -2.256) 5.688 4.484 ( -0.000 1.679 5.335) 5.593 4.551 ( 0.000 3.903 -3.671) 5.358 4.573 ( 0.000 -1.419 -0.006) 1.419 4.584 ( -0.000 0.722 0.066) 0.725 4.606 ( 0.000 -1.365 -0.379) 1.417 4.638 ( -0.000 -1.570 0.423) 1.626 4.695 ( -0.000 0.609 0.632) 0.878 4.707 ( 0.000 -1.530 -0.172) 1.540 4.774 ( 0.000 -1.086 -0.942) 1.438 4.797 ( 0.000 -0.942 -1.980) 2.193 4.937 ( -0.000 -0.131 1.131) 1.138 ======================= Grid point 644 (204/288) ======================= q-point: ( 0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.243 ( -0.000 0.000 15.099) 15.099 0.243 ( -0.000 0.000 15.099) 15.099 0.600 ( -0.000 0.000 38.743) 38.743 0.755 ( 0.000 -0.000 -9.069) 9.069 0.755 ( 0.000 -0.000 -9.069) 9.069 0.971 ( -0.000 0.000 4.876) 4.876 0.971 ( -0.000 0.000 4.876) 4.876 1.082 ( 0.000 -0.000 -0.858) 0.858 1.082 ( 0.000 -0.000 -0.858) 0.858 2.013 ( 0.000 -0.000 -29.379) 29.379 2.849 ( -0.000 0.000 21.739) 21.739 3.429 ( 0.000 -0.000 -5.779) 5.779 4.443 ( 0.000 -0.000 -0.041) 0.041 4.443 ( 0.000 -0.000 -0.041) 0.041 4.477 ( 0.000 -0.000 -0.018) 0.018 4.477 ( 0.000 -0.000 -0.018) 0.018 4.510 ( -0.000 0.000 0.262) 0.262 4.510 ( -0.000 0.000 0.262) 0.262 4.582 ( 0.000 -0.000 -0.042) 0.042 4.582 ( 0.000 -0.000 -0.042) 0.042 4.661 ( -0.000 0.000 1.543) 1.543 4.724 ( 0.000 -0.000 -0.762) 0.762 4.788 ( 0.000 -0.000 -6.261) 6.261 4.882 ( 0.000 -0.000 -0.739) 0.739 ======================= Grid point 645 (205/288) ======================= q-point: ( 0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 8.058 4.652 11.852) 15.068 0.445 ( 9.013 5.204 13.239) 16.840 0.736 ( 1.641 0.947 -9.363) 9.552 0.865 ( 17.983 10.382 23.466) 31.334 0.944 ( 13.504 7.797 -7.017) 17.099 1.031 ( 3.421 1.975 4.011) 5.630 1.106 ( 10.761 6.213 5.099) 13.431 1.106 ( 2.390 1.380 -1.257) 3.032 1.233 ( 12.029 6.945 -0.627) 13.904 1.982 ( 2.500 1.444 -27.905) 28.053 2.877 ( -0.531 -0.306 20.644) 20.653 3.408 ( -0.803 -0.464 -6.767) 6.831 4.451 ( 0.692 0.399 -0.032) 0.799 4.459 ( 0.519 0.299 -2.348) 2.423 4.481 ( -0.171 -0.099 -1.238) 1.254 4.484 ( 0.623 0.360 -0.045) 0.721 4.519 ( 0.685 0.395 0.289) 0.842 4.530 ( 1.865 1.076 -0.498) 2.210 4.562 ( -0.501 -0.289 0.698) 0.907 4.588 ( 0.562 0.324 -0.052) 0.651 4.688 ( 0.840 0.485 0.915) 1.333 4.742 ( 1.740 1.004 0.110) 2.012 4.777 ( -0.145 -0.084 -3.080) 3.085 4.855 ( -1.846 -1.066 -0.667) 2.234 ======================= Grid point 646 (206/288) ======================= q-point: ( 0.36 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 8.657 4.998 9.208) 13.591 0.670 ( 9.204 5.314 10.235) 14.755 0.792 ( 4.348 2.511 -8.662) 10.012 1.131 ( 4.593 2.652 3.118) 6.152 1.177 ( 7.810 4.509 -11.360) 14.504 1.179 ( 4.016 2.319 -1.447) 4.858 1.366 ( 15.413 8.899 9.053) 19.967 1.428 ( 19.659 11.350 10.128) 24.857 1.560 ( 15.417 8.901 -0.393) 17.806 2.088 ( 11.398 6.581 -20.426) 24.299 2.918 ( 1.801 1.040 18.268) 18.386 3.378 ( -0.446 -0.257 -7.969) 7.986 4.426 ( -3.058 -1.766 2.846) 4.536 4.473 ( 1.252 0.723 -0.001) 1.446 4.484 ( 0.998 0.576 -4.045) 4.206 4.504 ( 1.135 0.655 -0.098) 1.314 4.542 ( 1.256 0.725 0.313) 1.484 4.561 ( 0.194 0.112 -2.199) 2.211 4.591 ( 2.697 1.557 -0.953) 3.257 4.607 ( 1.066 0.615 -0.060) 1.232 4.701 ( 0.640 0.370 2.940) 3.032 4.763 ( -0.893 -0.516 -1.286) 1.649 4.782 ( 0.089 0.051 -1.254) 1.258 4.823 ( 0.810 0.467 -0.423) 1.026 ======================= Grid point 647 (207/288) ======================= q-point: ( 0.43 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 7.811 4.510 7.291) 11.598 0.892 ( 5.384 3.109 -7.152) 9.476 0.897 ( 9.361 5.405 6.239) 12.481 1.242 ( 4.621 2.668 2.164) 5.758 1.243 ( 1.319 0.762 -15.147) 15.223 1.274 ( 4.341 2.506 -1.298) 5.177 1.609 ( 6.273 3.622 9.267) 11.762 1.865 ( 11.925 6.885 -0.257) 13.772 1.966 ( 21.828 12.603 8.518) 26.606 2.407 ( 17.575 10.147 -12.160) 23.658 3.044 ( 7.023 4.055 14.129) 16.291 3.378 ( 2.164 1.249 -8.790) 9.138 4.352 ( -3.834 -2.214 4.712) 6.466 4.502 ( 0.575 0.332 -3.031) 3.103 4.506 ( 1.558 0.899 0.037) 1.799 4.534 ( 1.444 0.834 -0.109) 1.671 4.541 ( -0.845 -0.488 -3.477) 3.611 4.575 ( 1.600 0.924 0.261) 1.865 4.635 ( 1.425 0.823 -0.041) 1.646 4.642 ( 1.741 1.005 -2.727) 3.388 4.714 ( -1.308 -0.755 0.267) 1.534 4.744 ( 0.592 0.342 2.933) 3.012 4.767 ( -0.282 -0.163 -0.112) 0.345 4.871 ( 2.318 1.338 -0.787) 2.790 ======================= Grid point 648 (208/288) ======================= q-point: ( 0.50 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 5.529 3.192 -1.274) 6.510 1.010 ( 5.807 3.353 1.531) 6.878 1.111 ( 8.216 4.744 2.330) 9.769 1.235 ( 1.041 0.601 -11.720) 11.782 1.343 ( 3.826 2.209 0.990) 4.527 1.366 ( 3.727 2.152 -0.731) 4.365 1.695 ( 0.161 0.093 11.611) 11.612 2.043 ( 3.995 2.307 -2.317) 5.162 2.455 ( 19.452 11.231 7.399) 23.649 2.790 ( 16.858 9.733 -8.367) 21.188 3.277 ( 10.982 6.341 10.053) 16.183 3.457 ( 5.979 3.452 -8.709) 11.113 4.274 ( -3.713 -2.144 5.979) 7.357 4.462 ( -2.695 -1.556 -5.020) 5.907 4.542 ( 1.552 0.896 0.051) 1.793 4.551 ( 1.263 0.729 -0.717) 1.626 4.568 ( 1.469 0.848 -0.020) 1.697 4.613 ( 1.619 0.935 0.084) 1.872 4.646 ( -0.950 -0.549 -2.434) 2.670 4.670 ( 1.547 0.893 0.026) 1.786 4.694 ( -0.062 -0.036 0.285) 0.293 4.737 ( -0.855 -0.494 -0.728) 1.227 4.794 ( 1.375 0.794 3.854) 4.168 4.912 ( 1.358 0.784 -1.134) 1.935 ======================= Grid point 649 (209/288) ======================= q-point: ( 0.57 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 3.502 2.022 -5.194) 6.583 1.142 ( 4.734 2.733 5.760) 7.941 1.200 ( 1.296 0.748 -5.051) 5.268 1.341 ( 7.726 4.461 -0.292) 8.926 1.416 ( 2.489 1.437 -0.457) 2.910 1.439 ( 2.697 1.557 0.186) 3.120 1.682 ( -2.417 -1.395 11.199) 11.542 2.051 ( -2.263 -1.307 -4.087) 4.851 2.867 ( 15.509 8.954 6.509) 19.055 3.121 ( 12.924 7.462 -6.239) 16.175 3.549 ( 10.826 6.250 7.625) 14.643 3.594 ( 6.482 3.742 -8.084) 11.017 4.216 ( -1.871 -1.080 6.790) 7.125 4.382 ( -3.445 -1.989 -6.014) 7.210 4.567 ( -0.264 -0.152 0.152) 0.340 4.574 ( 1.236 0.714 0.021) 1.427 4.599 ( 1.204 0.695 0.162) 1.399 4.610 ( -1.792 -1.035 0.290) 2.090 4.647 ( 1.294 0.747 -0.174) 1.504 4.693 ( -0.309 -0.179 -1.166) 1.220 4.703 ( 1.339 0.773 0.127) 1.551 4.726 ( 0.335 0.193 -0.109) 0.402 4.826 ( 0.909 0.525 3.167) 3.336 4.927 ( 0.113 0.065 -1.312) 1.318 ======================= Grid point 650 (210/288) ======================= q-point: ( 0.64 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 1.546 0.892 -4.580) 4.915 1.231 ( 1.936 1.118 0.168) 2.242 1.239 ( 2.895 1.671 5.594) 6.517 1.453 ( 0.970 0.560 -1.420) 1.808 1.483 ( 3.012 1.739 4.000) 5.301 1.487 ( 1.469 0.848 0.589) 1.796 1.664 ( 0.869 0.502 4.516) 4.626 1.953 ( -5.047 -2.914 -4.988) 7.671 3.172 ( 9.810 5.664 5.514) 12.598 3.343 ( 7.219 4.168 -3.530) 9.053 3.680 ( 2.022 1.168 -6.648) 7.046 3.775 ( 7.245 4.183 6.291) 10.467 4.231 ( 2.137 1.234 5.055) 5.626 4.289 ( -3.560 -2.056 -5.435) 6.815 4.524 ( -2.797 -1.615 -0.623) 3.289 4.582 ( -1.172 -0.677 0.735) 1.540 4.596 ( 0.671 0.387 -0.027) 0.775 4.621 ( 0.703 0.406 0.361) 0.889 4.669 ( 0.686 0.396 -0.413) 0.894 4.681 ( -0.246 -0.142 -0.766) 0.817 4.728 ( 0.790 0.456 0.213) 0.937 4.747 ( 0.971 0.561 1.943) 2.243 4.850 ( 0.919 0.530 1.648) 1.960 4.915 ( -0.842 -0.486 -1.377) 1.686 ======================= Grid point 651 (211/288) ======================= q-point: (-0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -0.636 -0.367 -3.814) 3.884 1.281 ( 1.712 0.988 3.480) 4.002 1.293 ( 0.952 0.550 5.437) 5.547 1.455 ( -0.545 -0.315 -2.039) 2.134 1.489 ( -1.658 -0.957 8.715) 8.923 1.507 ( 0.149 0.086 0.546) 0.572 1.702 ( -1.600 -0.924 -3.873) 4.291 1.868 ( 1.200 0.693 -3.779) 4.025 3.282 ( -1.658 -0.957 2.875) 3.454 3.455 ( 3.124 1.803 1.643) 3.963 3.666 ( -2.257 -1.303 -6.568) 7.066 3.892 ( 2.464 1.422 6.432) 7.033 4.173 ( -5.101 -2.945 -5.750) 8.231 4.336 ( 4.874 2.814 4.470) 7.187 4.476 ( -0.800 -0.462 -1.974) 2.180 4.553 ( -0.939 -0.542 -0.362) 1.143 4.604 ( -0.020 -0.012 -0.048) 0.054 4.631 ( 0.059 0.034 0.490) 0.495 4.675 ( -0.076 -0.044 -0.557) 0.564 4.683 ( 0.285 0.165 0.337) 0.471 4.738 ( 0.025 0.014 0.249) 0.251 4.767 ( 0.392 0.227 3.442) 3.472 4.859 ( -0.894 -0.516 -0.299) 1.075 4.904 ( 0.727 0.420 -0.866) 1.206 ======================= Grid point 652 (212/288) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -2.865 -1.654 -3.068) 4.512 1.283 ( -2.436 -1.406 -0.265) 2.825 1.302 ( -0.969 -0.560 5.473) 5.586 1.422 ( -2.040 -1.178 -2.671) 3.562 1.489 ( -0.217 -0.125 8.251) 8.255 1.496 ( -1.180 -0.681 0.384) 1.415 1.594 ( -4.074 -2.352 -0.383) 4.720 1.962 ( 5.181 2.991 -3.873) 7.127 3.139 ( -10.418 -6.015 3.192) 12.446 3.458 ( -3.842 -2.218 3.751) 5.810 3.535 ( -8.272 -4.776 -8.077) 12.509 3.929 ( -2.402 -1.387 7.561) 8.053 4.047 ( -2.280 -1.316 -5.138) 5.773 4.454 ( 4.435 2.561 3.588) 6.254 4.472 ( 0.606 0.350 -4.297) 4.353 4.557 ( 1.219 0.704 0.557) 1.513 4.595 ( -0.696 -0.402 -0.031) 0.804 4.625 ( -0.609 -0.352 0.504) 0.865 4.664 ( -0.820 -0.473 -0.572) 1.106 4.688 ( 0.167 0.097 -0.153) 0.246 4.730 ( -0.749 -0.433 0.232) 0.896 4.779 ( 0.089 0.051 3.650) 3.651 4.824 ( -1.620 -0.935 -0.578) 1.958 4.927 ( 0.990 0.572 -0.923) 1.469 ======================= Grid point 659 (213/288) ======================= q-point: ( 0.29 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( -0.000 6.512 10.468) 12.328 0.503 ( -0.000 7.621 17.976) 19.525 0.803 ( 0.000 5.601 -8.724) 10.367 0.845 ( 0.000 11.696 -8.995) 14.755 0.937 ( -0.000 22.377 24.133) 32.911 0.997 ( -0.000 2.135 4.958) 5.398 1.115 ( 0.000 3.166 -0.772) 3.259 1.159 ( -0.000 14.911 3.763) 15.378 1.220 ( -0.000 13.335 -1.406) 13.409 1.937 ( 0.000 3.619 -28.106) 28.338 2.910 ( -0.000 -1.010 20.017) 20.043 3.396 ( 0.000 -0.885 -7.519) 7.571 4.451 ( -0.000 0.822 -0.033) 0.822 4.454 ( 0.000 0.588 -2.299) 2.373 4.482 ( 0.000 -0.355 -0.036) 0.357 4.484 ( -0.000 0.723 -0.044) 0.724 4.519 ( -0.000 0.755 0.288) 0.808 4.524 ( 0.000 1.764 -0.636) 1.875 4.567 ( -0.000 -0.326 0.546) 0.636 4.589 ( -0.000 0.680 -0.051) 0.682 4.688 ( -0.000 1.014 1.352) 1.690 4.742 ( -0.000 1.917 -0.091) 1.919 4.771 ( 0.000 0.048 -2.903) 2.904 4.854 ( 0.000 -1.924 -1.827) 2.653 ======================= Grid point 660 (214/288) ======================= q-point: ( 0.36 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 10.610 7.721 6.855) 14.805 0.626 ( 3.436 6.428 15.237) 16.891 0.820 ( -1.280 9.210 -8.478) 12.583 1.039 ( 7.918 5.108 -7.629) 12.124 1.091 ( 5.835 4.062 2.926) 7.688 1.178 ( 2.655 6.128 -1.305) 6.805 1.318 ( 11.410 22.479 15.475) 29.580 1.361 ( 4.076 15.673 4.557) 16.823 1.440 ( 9.013 13.445 -1.162) 16.228 1.987 ( 5.065 9.201 -23.503) 25.743 2.937 ( 0.491 -0.086 18.503) 18.510 3.369 ( -0.503 -0.588 -8.515) 8.551 4.444 ( -1.132 -1.872 1.580) 2.698 4.469 ( 0.676 1.255 -0.705) 1.590 4.473 ( 0.269 0.351 -1.425) 1.492 4.500 ( 0.688 1.180 -0.047) 1.367 4.535 ( 0.728 1.220 0.244) 1.441 4.554 ( 0.471 0.704 -1.404) 1.640 4.571 ( 1.101 1.568 -0.869) 2.104 4.602 ( 0.554 1.070 -0.116) 1.210 4.705 ( 0.374 0.908 2.571) 2.752 4.761 ( -0.006 -0.429 -1.715) 1.768 4.777 ( 0.664 1.536 -1.013) 1.956 4.822 ( -0.696 -1.035 -1.554) 1.993 ======================= Grid point 661 (215/288) ======================= q-point: ( 0.43 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 5.429 6.814 10.561) 13.691 0.822 ( 8.412 8.174 3.298) 12.184 0.909 ( 1.517 10.812 -5.895) 12.407 1.166 ( 4.875 1.698 -10.271) 11.496 1.233 ( 4.574 5.358 1.293) 7.162 1.278 ( 1.573 7.154 -3.022) 7.923 1.578 ( 4.898 9.050 6.767) 12.316 1.733 ( 11.331 9.301 -0.661) 14.674 1.795 ( 16.386 18.668 11.340) 27.306 2.228 ( 13.160 13.250 -15.192) 24.074 3.012 ( 3.827 2.743 15.441) 16.143 3.351 ( 0.559 0.995 -9.321) 9.391 4.388 ( -2.688 -3.242 4.424) 6.108 4.486 ( 0.876 0.658 -1.811) 2.117 4.503 ( 0.993 2.149 -0.165) 2.373 4.529 ( 0.892 1.521 -0.399) 1.807 4.539 ( -0.647 -0.933 -2.942) 3.154 4.567 ( 1.181 1.714 0.220) 2.093 4.617 ( 1.842 1.371 -2.119) 3.124 4.629 ( 1.026 1.656 -0.392) 1.987 4.723 ( -0.439 -0.132 0.103) 0.470 4.745 ( -0.040 -0.187 1.650) 1.661 4.769 ( -0.588 -0.483 -0.400) 0.860 4.846 ( 1.969 1.639 -0.758) 2.672 ======================= Grid point 662 (216/288) ======================= q-point: ( 0.50 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 5.773 5.632 6.343) 10.260 0.990 ( 2.221 8.654 -4.421) 9.968 1.082 ( 5.386 10.816 2.197) 12.281 1.212 ( 1.438 2.623 -12.185) 12.547 1.355 ( 1.883 7.570 0.844) 7.847 1.376 ( 1.523 8.020 -0.804) 8.203 1.704 ( 1.554 2.077 10.013) 10.343 1.958 ( 7.747 2.716 -2.204) 8.500 2.272 ( 17.486 14.638 9.276) 24.618 2.592 ( 16.147 11.964 -10.139) 22.509 3.183 ( 8.583 5.474 11.396) 15.281 3.391 ( 3.707 3.456 -9.296) 10.588 4.312 ( -3.082 -3.644 5.847) 7.548 4.468 ( -1.616 -2.622 -4.469) 5.428 4.531 ( 1.101 0.926 -0.425) 1.500 4.544 ( 0.832 2.310 -0.167) 2.460 4.567 ( 0.752 2.440 0.016) 2.554 4.606 ( 1.130 1.771 -0.191) 2.110 4.644 ( 0.575 0.727 -3.775) 3.887 4.665 ( 1.084 2.133 -0.024) 2.393 4.697 ( -0.634 -0.924 0.642) 1.291 4.737 ( -0.448 -1.296 -0.832) 1.604 4.787 ( 1.091 1.087 4.086) 4.367 4.891 ( 1.762 0.885 -1.186) 2.302 ======================= Grid point 663 (217/288) ======================= q-point: ( 0.57 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 1.297 5.760 -3.119) 6.677 1.105 ( 4.389 5.173 2.293) 7.161 1.228 ( 0.342 7.032 -4.268) 8.233 1.299 ( 4.409 9.625 -0.799) 10.617 1.446 ( -0.182 7.862 -0.718) 7.896 1.473 ( 0.017 8.456 0.231) 8.459 1.720 ( -1.426 -1.750 11.525) 11.744 2.035 ( 1.649 -1.792 -4.026) 4.706 2.701 ( 16.110 10.738 7.831) 20.885 2.949 ( 14.762 8.928 -7.585) 18.846 3.431 ( 11.035 5.779 8.330) 14.985 3.507 ( 6.303 4.430 -8.474) 11.453 4.239 ( -2.251 -3.583 6.808) 8.016 4.391 ( -2.429 -3.681 -5.811) 7.295 4.554 ( 0.459 -0.331 0.572) 0.805 4.567 ( -0.036 0.090 -0.304) 0.319 4.602 ( 0.608 2.400 0.453) 2.517 4.627 ( 0.024 0.786 -1.081) 1.337 4.654 ( -0.094 2.338 -0.664) 2.432 4.692 ( 0.229 0.168 -0.363) 0.461 4.704 ( 0.614 2.211 -0.146) 2.300 4.723 ( 0.375 0.108 -0.306) 0.496 4.820 ( 0.954 0.408 3.602) 3.749 4.916 ( 0.896 -0.002 -1.376) 1.642 ======================= Grid point 664 (218/288) ======================= q-point: ( 0.64 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 1.269 3.479 -0.049) 3.703 1.207 ( 0.873 5.941 -0.993) 6.086 1.298 ( -0.126 7.682 0.127) 7.684 1.461 ( 3.258 7.934 0.610) 8.599 1.501 ( -1.617 7.042 -1.036) 7.299 1.538 ( -1.742 7.316 0.736) 7.556 1.687 ( -1.811 -1.160 9.002) 9.256 1.986 ( -2.938 -3.066 -5.307) 6.797 3.051 ( 12.678 7.298 6.717) 16.097 3.229 ( 10.643 5.584 -5.312) 13.140 3.626 ( 4.429 2.178 -7.127) 8.669 3.677 ( 9.848 3.888 6.583) 12.467 4.206 ( 1.016 -2.234 6.468) 6.918 4.297 ( -2.584 -4.294 -6.284) 8.038 4.522 ( -1.489 -4.144 -0.115) 4.405 4.546 ( -0.175 -3.264 0.557) 3.316 4.636 ( -0.001 2.742 0.575) 2.802 4.640 ( -0.183 2.545 -0.483) 2.597 4.673 ( -0.195 1.758 -0.821) 1.950 4.696 ( -0.456 1.451 -0.161) 1.530 4.730 ( 0.443 1.830 0.136) 1.888 4.753 ( 0.538 2.562 0.874) 2.759 4.842 ( 0.863 0.074 2.435) 2.585 4.916 ( -0.176 -0.603 -1.428) 1.560 ======================= Grid point 665 (219/288) ======================= q-point: ( 0.71 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -0.895 4.939 1.798) 5.332 1.258 ( -0.122 4.300 0.353) 4.317 1.357 ( -1.394 5.270 2.595) 6.037 1.501 ( -3.089 3.950 -0.815) 5.081 1.546 ( -2.549 3.852 3.033) 5.525 1.574 ( -1.953 6.682 3.497) 7.791 1.701 ( 1.068 2.812 -0.920) 3.146 1.886 ( -3.804 -1.027 -5.026) 6.386 3.271 ( 4.504 2.426 4.115) 6.565 3.401 ( 5.880 2.725 -0.592) 6.507 3.657 ( 0.274 -1.209 -5.975) 6.102 3.844 ( 5.463 0.465 5.903) 8.057 4.193 ( -2.691 -4.145 -6.279) 7.991 4.267 ( 5.144 -0.443 5.048) 7.221 4.451 ( -0.563 -4.826 -0.794) 4.923 4.507 ( 0.605 -4.873 -0.254) 4.917 4.651 ( -1.259 2.795 -0.181) 3.071 4.662 ( -0.771 2.586 0.468) 2.739 4.681 ( -0.372 1.326 -0.159) 1.386 4.703 ( -0.988 2.190 -0.032) 2.403 4.751 ( -0.228 1.584 0.552) 1.693 4.781 ( -0.280 1.985 2.235) 3.002 4.861 ( 0.573 0.135 0.596) 0.838 4.899 ( -0.419 -0.463 -1.333) 1.472 ======================= Grid point 666 (220/288) ======================= q-point: (-0.21 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -5.931 6.620 -0.387) 8.897 1.302 ( 0.556 1.851 4.056) 4.492 1.352 ( -2.989 1.224 2.750) 4.242 1.464 ( -3.812 0.902 -2.909) 4.879 1.544 ( -2.634 4.626 4.837) 7.193 1.585 ( -4.763 6.263 3.565) 8.638 1.676 ( -5.666 1.634 -3.180) 6.699 1.896 ( 4.083 2.737 -4.179) 6.452 3.238 ( -6.640 -4.317 2.892) 8.432 3.482 ( 0.420 -0.047 3.196) 3.224 3.588 ( -4.667 -4.085 -7.118) 9.441 3.917 ( 3.641 -0.994 6.879) 7.846 4.069 ( -5.136 -5.407 -5.263) 9.127 4.379 ( 6.325 0.310 3.514) 7.242 4.425 ( 2.064 -3.076 -2.990) 4.761 4.492 ( 3.151 -3.401 -0.022) 4.637 4.647 ( -2.129 2.286 0.018) 3.124 4.663 ( -1.926 2.359 0.228) 3.054 4.685 ( -0.570 0.804 0.100) 0.991 4.702 ( -1.481 1.795 -0.095) 2.329 4.755 ( -1.089 1.355 0.471) 1.801 4.792 ( -0.597 0.969 3.135) 3.335 4.844 ( -1.687 -0.631 -0.647) 1.914 4.910 ( 1.316 0.358 -1.019) 1.702 ======================= Grid point 674 (221/288) ======================= q-point: ( 0.36 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -0.000 8.684 6.548) 10.876 0.694 ( -0.000 6.352 16.535) 17.713 0.905 ( 0.000 7.297 -7.926) 10.773 1.025 ( 0.000 8.496 -10.856) 13.785 1.082 ( -0.000 4.440 4.762) 6.511 1.193 ( -0.000 4.795 -0.755) 4.854 1.462 ( -0.000 19.549 8.990) 21.517 1.524 ( -0.000 16.884 -1.511) 16.951 1.554 ( -0.000 24.182 8.808) 25.736 2.017 ( 0.000 13.979 -21.916) 25.995 2.964 ( -0.000 0.443 17.572) 17.578 3.353 ( 0.000 -0.062 -9.067) 9.067 4.439 ( -0.000 -2.546 2.745) 3.744 4.472 ( 0.000 0.648 -1.361) 1.507 4.474 ( -0.000 1.459 -0.014) 1.459 4.505 ( -0.000 1.362 -0.108) 1.366 4.541 ( -0.000 1.362 0.328) 1.401 4.553 ( 0.000 -0.524 -2.204) 2.266 4.579 ( 0.000 2.510 -1.469) 2.909 4.608 ( -0.000 1.274 -0.078) 1.276 4.717 ( -0.000 1.443 2.405) 2.805 4.754 ( 0.000 -0.489 -1.130) 1.231 4.785 ( 0.000 0.896 -1.853) 2.058 4.818 ( 0.000 0.342 -1.013) 1.069 ======================= Grid point 675 (222/288) ======================= q-point: ( 0.43 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 10.930 8.500 3.959) 14.401 0.802 ( 2.269 6.438 12.746) 14.459 0.993 ( 1.652 10.345 -6.866) 12.525 1.090 ( 3.046 3.598 -10.616) 11.616 1.194 ( 5.696 5.167 3.825) 8.589 1.290 ( 4.433 5.803 -1.700) 7.498 1.651 ( 0.961 12.554 5.682) 13.814 1.703 ( 3.720 12.634 -2.870) 13.480 1.862 ( 4.728 25.069 11.941) 28.167 2.190 ( 5.679 17.552 -16.809) 24.958 3.020 ( 1.630 2.941 15.344) 15.708 3.344 ( 0.045 1.817 -9.461) 9.634 4.400 ( -1.706 -3.481 4.505) 5.943 4.481 ( 0.270 0.727 -1.005) 1.270 4.503 ( 1.381 1.944 0.009) 2.384 4.525 ( 0.078 -0.009 -1.601) 1.603 4.536 ( 0.434 0.291 -1.511) 1.598 4.567 ( 1.032 1.833 0.278) 2.122 4.606 ( 0.653 1.890 -2.612) 3.289 4.629 ( 0.833 1.742 -0.214) 1.942 4.725 ( -0.415 -0.762 -1.055) 1.366 4.751 ( -0.243 0.365 1.090) 1.175 4.779 ( -0.508 0.474 0.476) 0.843 4.839 ( 0.791 2.111 -0.841) 2.406 ======================= Grid point 676 (223/288) ======================= q-point: ( 0.50 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 4.128 5.881 7.156) 10.141 1.012 ( 8.108 9.127 1.038) 12.252 1.106 ( 2.328 8.172 -4.758) 9.738 1.189 ( 4.856 7.076 -8.867) 12.340 1.366 ( 6.182 6.784 3.008) 9.658 1.428 ( 3.563 8.266 -1.384) 9.107 1.751 ( -1.164 5.677 7.465) 9.450 1.866 ( 5.276 4.780 -3.278) 7.838 2.226 ( 9.056 20.119 10.598) 24.477 2.475 ( 10.466 15.979 -12.237) 22.685 3.142 ( 4.959 5.689 12.037) 14.207 3.370 ( 1.502 4.507 -9.331) 10.471 4.332 ( -2.694 -4.123 5.834) 7.635 4.458 ( -1.394 -3.008 -4.219) 5.366 4.524 ( 0.778 1.044 0.040) 1.302 4.554 ( 1.551 2.846 0.029) 3.241 4.577 ( 1.483 2.703 -0.115) 3.085 4.603 ( 0.555 1.324 -1.091) 1.804 4.631 ( 1.521 1.394 -2.294) 3.085 4.668 ( 1.236 2.363 -0.269) 2.681 4.699 ( -0.820 -1.209 -0.119) 1.466 4.733 ( -0.945 -1.188 -1.122) 1.888 4.797 ( 0.211 1.737 3.784) 4.169 4.872 ( 1.166 1.257 -1.328) 2.169 ======================= Grid point 677 (224/288) ======================= q-point: ( 0.57 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 3.964 4.286 2.042) 6.185 1.126 ( 1.379 5.697 -2.897) 6.538 1.280 ( 4.364 9.963 -1.619) 10.997 1.351 ( 3.759 12.775 -3.030) 13.657 1.528 ( 2.595 8.993 0.728) 9.388 1.563 ( 1.566 10.248 0.033) 10.367 1.756 ( -2.814 0.064 9.427) 9.839 1.955 ( 4.088 -1.770 -4.190) 6.116 2.593 ( 11.580 14.479 9.081) 20.645 2.795 ( 12.508 11.882 -9.309) 19.603 3.335 ( 8.244 6.170 8.952) 13.645 3.453 ( 3.822 5.901 -8.558) 11.075 4.252 ( -2.751 -4.582 6.862) 8.698 4.380 ( -2.219 -4.269 -5.751) 7.498 4.547 ( 0.436 0.121 0.897) 1.004 4.578 ( -1.386 -0.659 -0.732) 1.701 4.619 ( 0.949 2.240 -0.211) 2.442 4.627 ( 1.022 2.485 -0.433) 2.721 4.671 ( 0.686 1.181 -1.606) 2.108 4.691 ( 0.634 1.460 0.560) 1.687 4.710 ( 0.337 0.674 -0.837) 1.126 4.719 ( 1.289 2.263 0.017) 2.605 4.821 ( 0.200 0.840 3.475) 3.581 4.896 ( 1.041 0.100 -1.498) 1.827 ======================= Grid point 678 (225/288) ======================= q-point: ( 0.64 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 1.637 2.755 -0.264) 3.216 1.235 ( 3.789 5.618 1.600) 6.962 1.407 ( -1.100 12.027 -4.217) 12.792 1.531 ( 2.123 11.986 0.739) 12.196 1.620 ( -2.104 8.667 -0.936) 8.968 1.669 ( -2.757 9.604 0.910) 10.034 1.718 ( -0.820 -0.303 8.883) 8.926 1.965 ( 1.126 -2.839 -4.820) 5.706 2.929 ( 11.888 9.723 7.709) 17.184 3.087 ( 11.663 7.822 -7.010) 15.695 3.556 ( 8.971 4.297 5.129) 11.191 3.567 ( 4.805 4.157 -5.599) 8.468 4.184 ( -0.987 -4.255 7.206) 8.427 4.282 ( -2.555 -5.058 -6.598) 8.697 4.510 ( -2.104 -4.284 0.100) 4.774 4.531 ( -1.655 -3.388 0.527) 3.807 4.645 ( 0.612 1.270 0.141) 1.417 4.663 ( 0.526 2.444 -1.036) 2.707 4.698 ( 0.482 2.840 -0.434) 2.913 4.718 ( 0.111 2.623 0.523) 2.677 4.746 ( 0.715 3.105 -0.484) 3.223 4.772 ( 1.234 3.296 0.345) 3.536 4.833 ( 0.347 -0.109 2.708) 2.733 4.904 ( 0.549 -0.569 -1.406) 1.612 ======================= Grid point 679 (226/288) ======================= q-point: ( 0.71 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 2.156 2.567 3.994) 5.215 1.340 ( 1.395 4.829 1.985) 5.405 1.467 ( -3.945 9.657 -3.320) 10.948 1.612 ( -3.210 1.726 3.410) 4.991 1.622 ( -2.414 5.055 -1.778) 5.877 1.701 ( -2.030 10.763 1.845) 11.107 1.771 ( -2.186 8.691 1.436) 9.076 1.937 ( -2.275 1.487 -4.209) 5.010 3.201 ( 8.686 5.682 5.492) 11.743 3.310 ( 8.215 4.482 -3.409) 9.960 3.625 ( 1.180 -0.080 -5.412) 5.540 3.744 ( 7.478 0.555 5.485) 9.290 4.172 ( -0.381 -3.468 -3.912) 5.241 4.188 ( 1.781 -3.692 3.108) 5.144 4.418 ( -2.161 -6.009 -0.180) 6.389 4.459 ( -1.199 -5.465 0.034) 5.595 4.669 ( 0.569 1.105 0.031) 1.243 4.692 ( 0.133 2.114 0.239) 2.132 4.725 ( -1.066 3.297 -0.386) 3.486 4.742 ( -0.565 2.803 0.556) 2.913 4.777 ( -0.320 2.505 0.002) 2.526 4.816 ( -0.158 2.924 1.220) 3.172 4.848 ( 1.157 0.210 0.897) 1.479 4.900 ( -0.243 -0.349 -1.211) 1.284 ======================= Grid point 680 (227/288) ======================= q-point: (-0.21 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 2.230 2.574 7.501) 8.238 1.367 ( -2.558 1.957 3.503) 4.758 1.444 ( -5.161 3.172 -1.827) 6.327 1.569 ( -6.499 5.601 -5.435) 10.156 1.636 ( 0.231 3.838 1.822) 4.255 1.762 ( -4.494 10.092 3.630) 11.628 1.795 ( -4.461 7.621 -1.744) 9.002 1.914 ( -3.068 5.185 -3.392) 6.914 3.293 ( -2.386 -1.107 2.057) 3.340 3.456 ( 4.440 2.513 2.623) 5.736 3.595 ( -1.758 -2.881 -5.238) 6.231 3.829 ( 4.495 -3.681 3.881) 6.987 4.087 ( -3.213 -4.129 -4.081) 6.635 4.270 ( 6.581 -0.734 3.653) 7.562 4.349 ( 1.341 -4.760 -1.258) 5.103 4.405 ( 1.792 -4.919 -0.601) 5.270 4.683 ( -0.262 0.788 0.570) 1.007 4.704 ( -0.817 1.549 0.547) 1.835 4.727 ( -1.780 2.397 -0.467) 3.022 4.754 ( -1.524 2.681 0.271) 3.096 4.786 ( -0.851 1.489 0.516) 1.791 4.830 ( -1.117 1.875 1.701) 2.767 4.865 ( -0.685 0.591 -0.226) 0.933 4.893 ( 0.376 0.334 -1.212) 1.312 ======================= Grid point 689 (228/288) ======================= q-point: ( 0.43 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -0.000 8.283 4.740) 9.544 0.870 ( -0.000 6.437 11.582) 13.251 1.026 ( 0.000 7.410 -7.037) 10.219 1.116 ( 0.000 5.537 -10.304) 11.697 1.194 ( -0.000 5.067 4.298) 6.645 1.289 ( -0.000 5.007 -0.766) 5.065 1.778 ( -0.000 10.760 6.191) 12.414 1.797 ( 0.000 11.093 -4.523) 11.979 2.102 ( -0.000 25.378 10.636) 27.517 2.308 ( 0.000 20.585 -15.193) 25.585 3.070 ( -0.000 5.082 13.788) 14.694 3.355 ( 0.000 4.121 -9.223) 10.102 4.388 ( -0.000 -3.751 5.103) 6.334 4.481 ( 0.000 -0.877 -1.812) 2.013 4.507 ( -0.000 1.790 0.008) 1.790 4.520 ( 0.000 -0.239 -1.527) 1.546 4.536 ( -0.000 1.784 -0.193) 1.795 4.573 ( -0.000 1.694 0.371) 1.734 4.616 ( 0.000 1.694 -3.728) 4.095 4.637 ( -0.000 1.706 -0.112) 1.710 4.719 ( 0.000 -0.991 -0.656) 1.189 4.756 ( 0.000 -0.264 -0.754) 0.799 4.797 ( -0.000 1.897 2.292) 2.975 4.854 ( 0.000 2.254 -0.877) 2.419 ======================= Grid point 690 (229/288) ======================= q-point: ( 0.50 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 10.308 7.606 2.272) 13.011 0.964 ( 2.122 6.101 8.683) 10.822 1.129 ( 2.122 4.479 -8.002) 9.412 1.170 ( 4.010 9.234 -5.430) 11.438 1.311 ( 6.427 5.046 3.811) 9.016 1.395 ( 6.154 5.216 -1.112) 8.143 1.856 ( -1.956 5.567 6.722) 8.945 1.875 ( 0.059 5.784 -5.143) 7.740 2.375 ( 1.865 22.759 9.776) 24.839 2.517 ( 3.340 19.852 -12.620) 23.760 3.170 ( 1.849 7.481 11.321) 13.695 3.396 ( 0.228 7.011 -8.689) 11.167 4.342 ( -1.892 -4.181 5.897) 7.472 4.442 ( -1.235 -3.256 -4.374) 5.591 4.527 ( 0.289 1.414 0.744) 1.624 4.545 ( 1.866 2.049 0.125) 2.774 4.570 ( 1.732 2.085 -0.213) 2.719 4.604 ( 1.173 1.741 -0.351) 2.129 4.621 ( 0.221 0.832 -2.975) 3.097 4.667 ( 1.283 2.057 -0.137) 2.428 4.702 ( -0.748 -0.849 -0.019) 1.131 4.740 ( -0.966 -0.735 -1.263) 1.752 4.821 ( -0.085 1.968 2.632) 3.287 4.874 ( 0.145 1.640 -1.028) 1.941 ======================= Grid point 691 (230/288) ======================= q-point: ( 0.57 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 2.747 5.184 2.011) 6.201 1.145 ( 2.969 5.493 -3.604) 7.209 1.230 ( 9.842 7.053 2.141) 12.297 1.374 ( 7.099 10.728 -4.048) 13.486 1.500 ( 8.203 5.247 3.623) 10.390 1.576 ( 7.491 6.796 -0.998) 10.163 1.849 ( -3.964 1.671 6.007) 7.389 1.893 ( 0.030 -0.140 -4.563) 4.565 2.643 ( 3.821 18.342 8.865) 20.727 2.756 ( 5.903 16.200 -10.350) 20.110 3.314 ( 3.993 7.786 8.918) 12.494 3.469 ( 0.916 8.469 -8.019) 11.699 4.267 ( -2.885 -4.729 6.775) 8.752 4.367 ( -2.246 -4.114 -5.662) 7.351 4.546 ( 0.142 0.264 1.152) 1.190 4.585 ( -0.680 -1.699 -1.541) 2.392 4.610 ( 1.816 2.398 0.298) 3.023 4.633 ( 1.988 2.316 -0.842) 3.166 4.660 ( 1.098 0.924 -0.022) 1.435 4.690 ( 0.912 1.015 0.382) 1.417 4.714 ( 0.345 1.131 -0.842) 1.452 4.722 ( 0.796 2.219 -0.682) 2.454 4.838 ( -0.292 1.148 2.252) 2.544 4.886 ( 0.109 0.584 -1.136) 1.282 ======================= Grid point 692 (231/288) ======================= q-point: ( 0.64 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 1.760 3.789 -1.403) 4.407 1.230 ( 2.649 5.385 0.476) 6.020 1.475 ( 6.864 8.807 0.237) 11.169 1.581 ( 4.800 10.075 -1.703) 11.289 1.672 ( 4.391 3.324 5.090) 7.499 1.748 ( 2.624 7.635 -1.246) 8.169 1.800 ( -3.009 3.054 2.180) 4.810 1.886 ( 2.823 -1.896 -2.965) 4.512 2.898 ( 6.107 13.308 7.681) 16.535 2.996 ( 7.820 11.668 -8.128) 16.229 3.482 ( 5.964 5.624 7.002) 10.781 3.557 ( 1.484 7.117 -7.164) 10.207 4.182 ( -2.522 -4.914 7.443) 9.269 4.268 ( -2.901 -4.698 -6.601) 8.606 4.507 ( -2.449 -4.345 0.226) 4.993 4.531 ( -2.146 -3.546 0.236) 4.151 4.646 ( 0.488 0.676 0.075) 0.836 4.669 ( 1.132 2.034 -0.969) 2.521 4.706 ( 1.789 3.056 -0.051) 3.541 4.734 ( 1.520 2.909 0.027) 3.282 4.760 ( 2.372 2.995 0.097) 3.821 4.772 ( 1.015 2.722 -0.091) 2.907 4.842 ( -0.424 0.431 1.637) 1.745 4.888 ( 0.328 -0.219 -1.027) 1.101 ======================= Grid point 693 (232/288) ======================= q-point: ( 0.71 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 1.580 3.290 1.091) 3.809 1.336 ( 3.331 4.414 0.926) 5.607 1.588 ( -1.774 2.450 -0.336) 3.044 1.651 ( -1.734 0.013 3.003) 3.468 1.721 ( -1.030 5.083 -2.549) 5.779 1.820 ( 1.403 9.821 -0.007) 9.920 1.890 ( 0.474 9.487 1.199) 9.574 1.963 ( 2.764 5.119 -1.871) 6.111 3.137 ( 7.388 8.769 5.598) 12.760 3.217 ( 7.982 7.831 -5.015) 12.255 3.614 ( 0.098 2.640 -5.096) 5.740 3.639 ( 6.404 1.598 5.045) 8.308 4.130 ( 0.481 -3.397 6.527) 7.374 4.160 ( -2.695 -4.360 -6.559) 8.324 4.404 ( -3.182 -6.183 0.027) 6.953 4.439 ( -2.822 -5.784 0.160) 6.437 4.669 ( 0.775 1.317 -0.050) 1.529 4.700 ( 0.731 1.513 0.038) 1.681 4.763 ( 0.759 3.235 -0.013) 3.323 4.781 ( -0.465 2.910 0.275) 2.960 4.801 ( 0.236 2.031 -0.622) 2.137 4.819 ( 1.775 0.336 1.045) 2.088 4.850 ( 0.322 2.140 0.488) 2.218 4.895 ( 0.567 0.451 -0.683) 0.996 ======================= Grid point 694 (233/288) ======================= q-point: ( 0.79 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 2.342 2.582 4.610) 5.780 1.406 ( -0.090 1.335 3.140) 3.413 1.519 ( -3.953 -2.348 -3.193) 5.598 1.623 ( 1.004 -1.279 0.349) 1.662 1.757 ( -4.496 10.397 -2.985) 11.714 1.923 ( -1.744 9.827 1.193) 10.052 1.960 ( -3.338 8.737 1.000) 9.407 2.030 ( -2.006 7.075 -1.797) 7.571 3.307 ( 2.430 3.955 0.951) 4.738 3.401 ( 6.374 5.434 1.418) 8.495 3.589 ( -1.663 -1.910 -2.561) 3.602 3.721 ( 3.609 -4.569 1.798) 6.094 4.087 ( -1.267 -1.622 -4.161) 4.642 4.167 ( 4.896 -0.893 4.036) 6.407 4.294 ( -1.550 -6.206 -0.197) 6.400 4.341 ( -1.001 -6.128 -0.589) 6.237 4.691 ( 0.313 1.030 0.463) 1.171 4.722 ( 0.173 0.900 0.631) 1.113 4.772 ( -1.496 1.108 -0.801) 2.027 4.798 ( -0.552 2.178 0.287) 2.265 4.811 ( -0.338 1.048 0.310) 1.144 4.847 ( 0.682 0.707 0.561) 1.132 4.884 ( 0.048 2.485 -0.007) 2.486 4.905 ( -0.446 1.245 -0.519) 1.421 ======================= Grid point 704 (234/288) ======================= q-point: ( 0.50 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -0.000 6.815 3.872) 7.838 1.025 ( -0.000 6.122 6.412) 8.865 1.141 ( 0.000 6.488 -6.246) 9.006 1.205 ( 0.000 6.718 -5.700) 8.810 1.302 ( -0.000 4.319 3.675) 5.671 1.379 ( -0.000 4.270 -0.739) 4.333 1.905 ( 0.000 2.260 -7.354) 7.693 1.932 ( -0.000 2.308 7.877) 8.208 2.600 ( -0.000 21.527 7.864) 22.918 2.675 ( 0.000 20.503 -10.729) 23.141 3.258 ( -0.000 9.302 9.699) 13.439 3.465 ( 0.000 9.777 -7.774) 12.491 4.328 ( -0.000 -4.293 6.076) 7.439 4.414 ( 0.000 -3.335 -4.874) 5.905 4.542 ( -0.000 1.764 0.027) 1.765 4.548 ( -0.000 1.775 1.340) 2.224 4.571 ( -0.000 1.849 -0.295) 1.872 4.608 ( -0.000 1.695 0.426) 1.748 4.620 ( 0.000 -0.035 -2.977) 2.977 4.672 ( -0.000 1.847 -0.150) 1.853 4.702 ( 0.000 -0.678 0.028) 0.678 4.740 ( 0.000 -0.585 -1.310) 1.435 4.844 ( -0.000 1.698 1.312) 2.146 4.888 ( 0.000 1.351 -0.375) 1.402 ======================= Grid point 705 (235/288) ======================= q-point: ( 0.57 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 9.376 5.992 1.138) 11.185 1.098 ( 1.668 5.314 3.311) 6.479 1.210 ( 1.376 5.662 -3.096) 6.598 1.326 ( 6.916 8.097 -3.341) 11.161 1.411 ( 6.855 3.691 3.400) 8.496 1.484 ( 7.260 3.963 -0.745) 8.305 1.883 ( -1.331 -1.324 -8.678) 8.879 1.934 ( -2.038 -0.616 8.510) 8.772 2.812 ( 0.339 18.394 4.841) 19.024 2.862 ( 0.822 18.456 -7.227) 19.838 3.375 ( 0.938 9.160 8.114) 12.273 3.552 ( -0.521 10.932 -7.112) 13.052 4.277 ( -2.108 -4.574 6.472) 8.201 4.356 ( -1.858 -3.380 -5.486) 6.706 4.552 ( -0.492 0.261 0.948) 1.100 4.575 ( 0.260 0.252 -0.885) 0.957 4.603 ( 1.196 0.866 0.606) 1.596 4.617 ( 1.444 1.337 -1.200) 2.305 4.644 ( 1.836 1.319 0.581) 2.334 4.690 ( -0.091 -0.120 0.096) 0.179 4.708 ( 1.548 1.659 -0.361) 2.298 4.732 ( -0.146 0.930 -1.468) 1.744 4.857 ( -0.323 0.988 0.244) 1.068 4.895 ( -0.344 0.659 0.165) 0.761 ======================= Grid point 706 (236/288) ======================= q-point: ( 0.64 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 1.308 4.553 -2.350) 5.288 1.249 ( 2.628 5.833 -1.219) 6.513 1.365 ( 11.926 5.222 3.537) 13.491 1.545 ( 8.761 7.064 -1.686) 11.380 1.590 ( 8.549 2.701 3.872) 9.766 1.678 ( 10.234 3.420 -0.696) 10.813 1.816 ( -1.754 -2.401 -8.849) 9.335 1.902 ( -1.671 -0.185 6.923) 7.125 2.992 ( 1.227 14.450 2.207) 14.669 3.038 ( 1.666 15.098 -3.968) 15.699 3.491 ( 1.833 6.703 6.788) 9.714 3.629 ( -1.214 9.647 -6.699) 11.808 4.196 ( -3.049 -4.775 7.195) 9.158 4.268 ( -3.180 -3.335 -6.207) 7.730 4.509 ( -2.589 -3.997 0.309) 4.772 4.535 ( -2.225 -3.251 -0.092) 3.941 4.643 ( 0.946 1.089 0.534) 1.538 4.663 ( 1.683 1.924 -0.907) 2.712 4.695 ( 2.693 2.009 0.272) 3.371 4.721 ( 2.355 1.487 0.153) 2.789 4.746 ( 1.689 2.174 -0.529) 2.803 4.775 ( 2.171 2.767 -0.295) 3.530 4.854 ( -0.611 0.178 -0.629) 0.895 4.891 ( -0.532 0.161 0.580) 0.803 ======================= Grid point 707 (237/288) ======================= q-point: ( 0.71 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 1.349 3.763 -2.348) 4.636 1.338 ( 2.015 5.213 0.138) 5.591 1.578 ( 4.171 -0.386 3.057) 5.185 1.667 ( -0.001 -1.033 -1.699) 1.988 1.709 ( 5.270 0.614 1.251) 5.452 1.825 ( 7.030 6.060 -2.021) 9.499 1.896 ( 7.604 5.210 -1.154) 9.289 1.952 ( 4.053 5.046 2.203) 6.837 3.152 ( 2.971 10.414 1.067) 10.882 3.206 ( 3.353 11.464 -2.063) 12.121 3.587 ( 2.726 2.181 5.111) 6.189 3.667 ( -2.352 5.676 -5.416) 8.191 4.119 ( -1.856 -3.807 7.410) 8.535 4.169 ( -3.566 -2.194 -6.664) 7.870 4.404 ( -3.721 -5.874 0.153) 6.955 4.439 ( -3.606 -5.410 0.140) 6.504 4.669 ( 0.792 1.398 -0.010) 1.606 4.701 ( 0.863 1.503 -0.384) 1.775 4.762 ( 2.449 2.159 0.106) 3.267 4.781 ( 2.702 0.953 0.242) 2.875 4.798 ( 1.523 1.499 0.394) 2.173 4.824 ( -0.491 1.862 -0.832) 2.098 4.852 ( 1.314 1.079 -0.359) 1.738 4.892 ( 0.377 0.722 0.429) 0.920 ======================= Grid point 708 (238/288) ======================= q-point: ( 0.79 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 1.574 2.727 -0.000) 3.149 1.415 ( 1.464 2.537 -0.000) 2.929 1.537 ( -2.002 -3.468 -0.000) 4.004 1.606 ( -1.915 -3.317 0.000) 3.830 1.854 ( 3.486 6.037 -0.000) 6.971 1.991 ( 3.844 6.659 -0.000) 7.689 2.040 ( 2.918 5.054 -0.000) 5.836 2.082 ( 3.136 5.432 -0.000) 6.272 3.304 ( 4.161 7.206 0.000) 8.321 3.371 ( 4.726 8.185 -0.000) 9.452 3.608 ( -1.855 -3.214 0.000) 3.711 3.649 ( -0.650 -1.126 -0.000) 1.301 4.092 ( -0.461 -0.799 -0.000) 0.922 4.114 ( 0.571 0.989 0.000) 1.142 4.278 ( -3.664 -6.346 0.000) 7.328 4.319 ( -3.471 -6.012 0.000) 6.942 4.694 ( 0.630 1.091 -0.000) 1.260 4.724 ( 0.505 0.874 -0.000) 1.010 4.793 ( -0.281 -0.487 0.000) 0.562 4.808 ( -0.225 -0.390 -0.000) 0.451 4.821 ( 0.957 1.658 -0.000) 1.915 4.845 ( 1.067 1.848 -0.000) 2.134 4.897 ( 1.168 2.023 -0.000) 2.336 4.916 ( 0.706 1.223 -0.000) 1.413 ======================= Grid point 720 (239/288) ======================= q-point: ( 0.57 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -0.000 4.699 3.414) 5.808 1.154 ( -0.000 5.510 1.231) 5.646 1.234 ( 0.000 4.987 -5.632) 7.523 1.342 ( -0.000 8.157 -0.964) 8.214 1.385 ( -0.000 2.789 3.055) 4.137 1.449 ( -0.000 3.055 -0.650) 3.123 1.854 ( 0.000 -3.510 -10.077) 10.671 1.946 ( -0.000 -3.384 9.281) 9.878 2.984 ( -0.000 16.267 -2.732) 16.495 3.032 ( -0.000 17.086 0.040) 17.086 3.471 ( -0.000 8.503 7.224) 11.157 3.660 ( 0.000 11.638 -6.502) 13.332 4.263 ( -0.000 -4.378 6.351) 7.714 4.337 ( 0.000 -2.295 -5.479) 5.940 4.573 ( -0.000 -0.667 0.179) 0.690 4.574 ( -0.000 1.401 0.039) 1.402 4.597 ( -0.000 -1.055 0.556) 1.192 4.604 ( 0.000 1.513 -0.408) 1.567 4.641 ( -0.000 1.365 0.503) 1.455 4.686 ( 0.000 -0.952 -0.076) 0.956 4.706 ( -0.000 1.583 -0.188) 1.594 4.740 ( 0.000 1.331 -1.810) 2.247 4.867 ( 0.000 0.587 -0.998) 1.158 4.904 ( -0.000 0.076 1.009) 1.012 ======================= Grid point 721 (240/288) ======================= q-point: ( 0.64 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 8.778 3.905 0.127) 9.608 1.198 ( 1.144 4.409 -0.595) 4.594 1.312 ( 3.044 4.871 -1.672) 5.982 1.461 ( 6.057 4.445 0.921) 7.570 1.485 ( 6.773 4.389 1.281) 8.172 1.544 ( 7.450 2.333 -0.469) 7.821 1.788 ( -0.726 -4.147 -9.807) 10.673 1.914 ( -0.642 -4.032 8.474) 9.406 3.121 ( -0.198 13.171 -4.131) 13.805 3.182 ( -0.568 14.055 1.411) 14.137 3.554 ( -0.119 5.700 6.428) 8.592 3.745 ( -1.638 10.093 -6.334) 12.028 4.211 ( -2.298 -4.224 6.990) 8.484 4.287 ( -2.598 -1.079 -5.828) 6.471 4.520 ( -2.821 -3.589 0.341) 4.578 4.549 ( -2.655 -2.019 0.019) 3.336 4.630 ( 2.392 1.272 0.838) 2.836 4.645 ( 2.236 1.497 -0.827) 2.816 4.666 ( 1.531 0.846 0.447) 1.805 4.694 ( 1.913 0.494 0.182) 1.984 4.735 ( 1.434 1.354 -0.625) 2.069 4.764 ( 1.429 2.177 -1.234) 2.882 4.864 ( -0.496 0.215 -1.492) 1.586 4.900 ( -0.347 -0.446 1.362) 1.475 ======================= Grid point 722 (241/288) ======================= q-point: ( 0.71 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 0.808 4.082 -5.175) 6.640 1.348 ( 3.940 3.927 -1.378) 5.731 1.451 ( 10.160 1.953 3.023) 10.779 1.596 ( 6.265 -1.419 5.230) 8.284 1.637 ( 2.784 -0.572 -3.548) 4.546 1.711 ( 10.071 3.468 -2.046) 10.846 1.784 ( 7.346 1.288 -3.760) 8.353 1.912 ( 3.414 -0.802 5.093) 6.184 3.225 ( 0.290 9.217 -2.965) 9.686 3.299 ( -0.207 10.953 0.397) 10.962 3.597 ( -0.293 1.473 5.146) 5.361 3.773 ( -3.615 6.291 -5.529) 9.122 4.138 ( -2.830 -3.559 7.316) 8.614 4.217 ( -3.959 0.966 -5.914) 7.182 4.417 ( -4.063 -4.964 0.329) 6.423 4.459 ( -4.140 -3.969 0.274) 5.742 4.669 ( 0.771 1.229 -0.023) 1.452 4.693 ( 1.781 1.259 -0.483) 2.234 4.723 ( 3.388 0.672 0.399) 3.478 4.745 ( 2.757 0.913 -0.236) 2.913 4.778 ( 2.124 1.066 -0.300) 2.395 4.821 ( 2.670 1.720 -0.806) 3.277 4.853 ( -0.724 0.535 -1.037) 1.374 4.893 ( -0.028 -0.356 1.211) 1.263 ======================= Grid point 736 (242/288) ======================= q-point: ( 0.64 0.64 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -0.000 2.160 3.143) 3.814 1.249 ( 0.000 4.427 -2.941) 5.314 1.296 ( 0.000 3.155 -5.263) 6.136 1.432 ( -0.000 1.004 2.626) 2.812 1.494 ( 0.000 1.632 -0.537) 1.718 1.501 ( -0.000 7.037 0.078) 7.037 1.734 ( 0.000 -4.270 -8.330) 9.360 1.883 ( -0.000 -5.442 8.242) 9.877 3.230 ( 0.000 9.578 -4.152) 10.439 3.315 ( -0.000 11.040 0.633) 11.058 3.612 ( -0.000 2.875 6.200) 6.834 3.842 ( 0.000 8.172 -6.316) 10.328 4.206 ( -0.000 -3.857 7.222) 8.187 4.304 ( 0.000 1.489 -5.737) 5.927 4.517 ( 0.000 -3.764 0.820) 3.853 4.581 ( -0.000 -1.657 0.652) 1.780 4.596 ( -0.000 0.766 0.043) 0.767 4.626 ( 0.000 0.868 -0.504) 1.004 4.664 ( -0.000 0.736 0.577) 0.935 4.678 ( 0.000 0.347 -0.276) 0.443 4.731 ( 0.000 0.924 -0.221) 0.950 4.769 ( 0.000 1.904 -2.188) 2.901 4.868 ( 0.000 0.127 -1.414) 1.420 4.899 ( -0.000 -0.917 1.600) 1.844 ======================= Grid point 738 (243/288) ======================= q-point: (-0.29 -0.36 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 8.897 1.267 -0.052) 8.986 1.267 ( 0.743 3.274 -3.272) 4.688 1.371 ( 4.189 1.603 -2.905) 5.344 1.490 ( 5.004 -0.696 2.946) 5.849 1.558 ( 5.241 0.406 -1.568) 5.486 1.595 ( 5.962 2.806 -3.728) 7.571 1.702 ( 1.566 -0.821 -1.688) 2.445 1.857 ( 1.367 -3.226 6.259) 7.173 3.290 ( -0.274 4.174 -3.013) 5.156 3.402 ( -0.588 8.024 -1.169) 8.130 3.626 ( -0.960 -0.376 5.845) 5.936 3.875 ( -2.573 4.819 -5.922) 8.057 4.159 ( -2.168 -3.987 6.672) 8.069 4.293 ( -2.991 3.746 -4.982) 6.914 4.446 ( -3.739 -3.233 1.011) 5.045 4.505 ( -4.531 -2.063 0.490) 5.003 4.649 ( 3.046 0.410 0.221) 3.082 4.664 ( 2.816 0.503 -0.377) 2.885 4.681 ( 1.149 0.558 -0.091) 1.280 4.703 ( 2.486 0.233 0.051) 2.498 4.753 ( 1.592 0.602 -0.515) 1.778 4.793 ( 1.528 1.114 -2.293) 2.972 4.864 ( -0.223 -0.023 -0.486) 0.535 4.892 ( -0.175 -0.437 1.404) 1.481 ======================= Grid point 753 (244/288) ======================= q-point: (-0.29 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -0.000 -0.582 3.013) 3.069 1.301 ( 0.000 1.790 -4.160) 4.529 1.320 ( 0.000 1.087 -5.206) 5.318 1.443 ( -0.000 -0.733 2.510) 2.615 1.509 ( 0.000 0.136 -0.446) 0.467 1.537 ( 0.000 -1.222 -9.494) 9.572 1.681 ( -0.000 -2.873 4.188) 5.078 1.845 ( -0.000 1.914 4.967) 5.323 3.298 ( 0.000 -2.177 -2.903) 3.628 3.466 ( 0.000 4.460 -2.519) 5.122 3.631 ( -0.000 -2.922 6.683) 7.294 3.926 ( 0.000 3.126 -6.467) 7.183 4.143 ( -0.000 -5.588 5.849) 8.089 4.359 ( 0.000 5.259 -4.218) 6.742 4.464 ( -0.000 -1.520 2.394) 2.836 4.551 ( -0.000 -0.965 0.421) 1.053 4.604 ( -0.000 -0.021 0.040) 0.045 4.634 ( 0.000 0.075 -0.541) 0.546 4.672 ( -0.000 -0.094 0.606) 0.613 4.686 ( 0.000 0.327 -0.633) 0.712 4.740 ( 0.000 0.027 -0.238) 0.239 4.785 ( 0.000 0.692 -3.529) 3.596 4.857 ( -0.000 -1.423 0.550) 1.525 4.899 ( -0.000 0.969 1.005) 1.396 ======================= Grid point 860 (245/288) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.321 ( -0.000 0.000 14.563) 14.563 0.321 ( -0.000 0.000 14.563) 14.563 0.706 ( 0.000 -0.000 -9.876) 9.876 0.706 ( 0.000 -0.000 -9.876) 9.876 0.801 ( -0.000 0.000 38.172) 38.172 0.994 ( -0.000 0.000 4.254) 4.254 0.994 ( -0.000 0.000 4.254) 4.254 1.077 ( 0.000 -0.000 -1.205) 1.205 1.077 ( 0.000 -0.000 -1.205) 1.205 1.859 ( 0.000 -0.000 -29.925) 29.925 2.957 ( -0.000 0.000 19.534) 19.534 3.393 ( 0.000 -0.000 -8.141) 8.141 4.443 ( 0.000 -0.000 -0.039) 0.039 4.443 ( 0.000 -0.000 -0.039) 0.039 4.477 ( 0.000 -0.000 -0.015) 0.015 4.477 ( 0.000 -0.000 -0.015) 0.015 4.512 ( -0.000 0.000 0.258) 0.258 4.512 ( -0.000 0.000 0.258) 0.258 4.582 ( 0.000 -0.000 -0.044) 0.044 4.582 ( 0.000 -0.000 -0.044) 0.044 4.670 ( -0.000 0.000 1.499) 1.499 4.719 ( 0.000 -0.000 -1.406) 1.406 4.763 ( 0.000 -0.000 -2.466) 2.466 4.871 ( 0.000 -0.000 -3.581) 3.581 ======================= Grid point 861 (246/288) ======================= q-point: ( 0.36 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 7.298 4.214 12.119) 14.761 0.512 ( 9.312 5.376 12.525) 16.508 0.686 ( 1.782 1.029 -9.963) 10.174 0.894 ( 12.768 7.372 -8.427) 16.982 1.010 ( 14.338 8.278 28.036) 32.560 1.050 ( 3.266 1.886 3.415) 5.087 1.099 ( 2.345 1.354 -1.612) 3.151 1.131 ( 10.931 6.311 4.557) 13.420 1.229 ( 12.113 6.993 -0.929) 14.018 1.836 ( 3.494 2.018 -28.246) 28.533 2.979 ( -0.693 -0.400 18.619) 18.637 3.367 ( -0.886 -0.512 -9.093) 9.151 4.449 ( 0.423 0.244 -1.051) 1.160 4.451 ( 0.697 0.402 -0.021) 0.805 4.481 ( -0.178 -0.103 0.509) 0.549 4.484 ( 0.613 0.354 -0.039) 0.708 4.520 ( 0.691 0.399 0.256) 0.838 4.527 ( 1.685 0.973 -0.540) 2.019 4.565 ( -0.714 -0.412 0.623) 1.034 4.588 ( 0.560 0.323 -0.039) 0.648 4.694 ( 1.015 0.586 0.941) 1.503 4.741 ( 1.732 1.000 -0.639) 2.100 4.764 ( 0.203 0.117 -1.284) 1.305 4.843 ( -1.615 -0.932 -3.794) 4.228 ======================= Grid point 862 (247/288) ======================= q-point: ( 0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 8.114 4.685 9.341) 13.230 0.726 ( 8.208 4.739 11.124) 14.614 0.746 ( 4.697 2.712 -8.609) 10.176 1.113 ( 6.484 3.743 -13.100) 15.089 1.145 ( 4.407 2.544 2.307) 5.587 1.171 ( 4.063 2.346 -1.537) 4.937 1.410 ( 13.019 7.517 7.396) 16.754 1.492 ( 20.561 11.871 14.083) 27.604 1.558 ( 15.715 9.073 -0.141) 18.146 1.984 ( 13.686 7.902 -19.679) 25.239 3.009 ( 1.233 0.712 16.764) 16.825 3.331 ( -0.508 -0.294 -10.117) 10.134 4.441 ( -2.231 -1.288 2.665) 3.707 4.473 ( 0.666 0.385 -0.054) 0.771 4.473 ( 1.260 0.727 0.014) 1.455 4.504 ( 1.126 0.650 -0.070) 1.303 4.543 ( 1.256 0.725 0.234) 1.469 4.549 ( -0.411 -0.237 -2.205) 2.255 4.584 ( 2.347 1.355 -2.062) 3.406 4.607 ( 1.066 0.616 -0.028) 1.231 4.715 ( 0.819 0.473 1.794) 2.028 4.756 ( -0.529 -0.305 -1.049) 1.214 4.774 ( -0.040 -0.023 -1.783) 1.784 4.820 ( 1.241 0.716 -0.768) 1.625 ======================= Grid point 863 (248/288) ======================= q-point: ( 0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 6.075 3.508 -3.389) 7.791 0.871 ( 7.093 4.095 3.941) 9.089 0.931 ( 8.383 4.840 6.849) 11.857 1.165 ( 1.536 0.887 -15.089) 15.193 1.250 ( 4.420 2.552 0.454) 5.124 1.269 ( 4.457 2.573 -0.418) 5.164 1.655 ( 7.010 4.047 8.483) 11.725 1.860 ( 11.334 6.544 -1.406) 13.163 2.017 ( 21.411 12.361 11.199) 27.141 2.344 ( 18.764 10.833 -11.917) 24.728 3.116 ( 6.105 3.525 13.303) 15.055 3.328 ( 2.281 1.317 -10.424) 10.751 4.378 ( -3.525 -2.035 5.125) 6.545 4.490 ( -0.299 -0.172 -1.711) 1.746 4.506 ( 1.563 0.902 0.043) 1.805 4.526 ( -0.149 -0.086 -1.873) 1.881 4.534 ( 1.451 0.838 -0.041) 1.677 4.576 ( 1.578 0.911 0.126) 1.826 4.622 ( 1.346 0.777 -4.855) 5.098 4.635 ( 1.433 0.827 0.015) 1.655 4.714 ( -0.968 -0.559 -0.067) 1.120 4.751 ( -0.302 -0.174 -0.226) 0.416 4.776 ( 1.083 0.625 3.157) 3.395 4.867 ( 2.217 1.280 -0.981) 2.741 ======================= Grid point 864 (249/288) ======================= q-point: ( 0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 5.101 2.945 -5.847) 8.299 1.038 ( 6.255 3.611 6.608) 9.789 1.118 ( 5.996 3.462 -0.145) 6.925 1.182 ( 3.692 2.131 -7.696) 8.798 1.343 ( 3.662 2.114 -1.012) 4.348 1.365 ( 3.832 2.212 0.521) 4.455 1.754 ( 0.541 0.313 11.002) 11.020 2.028 ( 3.605 2.081 -3.717) 5.580 2.499 ( 19.002 10.971 9.235) 23.805 2.746 ( 17.427 10.061 -8.576) 21.874 3.328 ( 10.287 5.939 9.566) 15.251 3.410 ( 6.250 3.609 -9.441) 11.883 4.306 ( -3.512 -2.028 6.303) 7.495 4.436 ( -2.988 -1.725 -5.190) 6.232 4.542 ( 1.549 0.894 0.038) 1.789 4.552 ( 1.381 0.797 0.793) 1.781 4.568 ( 1.498 0.865 0.089) 1.732 4.613 ( 1.576 0.910 -0.089) 1.823 4.629 ( -0.008 -0.005 -4.020) 4.020 4.670 ( 1.563 0.902 0.100) 1.808 4.697 ( -0.519 -0.300 0.751) 0.961 4.734 ( -0.832 -0.480 -0.532) 1.099 4.814 ( 1.301 0.751 3.769) 4.057 4.906 ( 1.319 0.762 -1.362) 2.044 ======================= Grid point 865 (250/288) ======================= q-point: ( 0.64 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 3.652 2.108 -4.936) 6.491 1.173 ( 4.631 2.674 6.032) 8.061 1.177 ( 2.273 1.312 -3.639) 4.486 1.340 ( 7.915 4.570 -0.154) 9.141 1.410 ( 2.389 1.380 -1.672) 3.226 1.441 ( 2.736 1.579 0.729) 3.242 1.741 ( -2.838 -1.639 11.291) 11.757 2.025 ( -2.485 -1.435 -5.861) 6.526 2.905 ( 15.177 8.762 7.902) 19.224 3.088 ( 13.429 7.753 -6.444) 16.792 3.551 ( 6.639 3.833 -7.892) 11.002 3.588 ( 10.591 6.115 7.189) 14.186 4.251 ( -1.906 -1.100 6.548) 6.908 4.350 ( -3.558 -2.054 -6.032) 7.298 4.569 ( -0.436 -0.252 0.564) 0.756 4.574 ( 1.227 0.708 -0.003) 1.417 4.600 ( 1.242 0.717 0.289) 1.463 4.608 ( -1.214 -0.701 -0.970) 1.705 4.645 ( 1.248 0.721 -0.343) 1.482 4.688 ( -0.537 -0.310 -0.675) 0.916 4.704 ( 1.355 0.782 0.191) 1.576 4.727 ( 0.682 0.394 0.583) 0.980 4.842 ( 0.677 0.391 3.091) 3.188 4.920 ( 0.103 0.059 -1.527) 1.532 ======================= Grid point 866 (251/288) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 1.697 0.980 -3.954) 4.413 1.236 ( 2.946 1.701 1.918) 3.905 1.268 ( 2.823 1.630 5.511) 6.403 1.444 ( 0.900 0.520 -2.068) 2.314 1.491 ( 1.453 0.839 0.630) 1.792 1.498 ( 4.949 2.857 1.596) 5.933 1.693 ( -1.837 -1.061 6.855) 7.175 1.922 ( -4.923 -2.842 -6.692) 8.780 3.202 ( 9.220 5.323 5.968) 12.205 3.326 ( 8.227 4.750 -3.020) 9.968 3.645 ( 2.283 1.318 -6.608) 7.114 3.809 ( 7.131 4.117 6.447) 10.458 4.238 ( -2.035 -1.175 -4.041) 4.675 4.278 ( 0.288 0.166 3.158) 3.175 4.521 ( -3.004 -1.734 -0.696) 3.538 4.583 ( -1.346 -0.777 -0.089) 1.557 4.596 ( 0.665 0.384 -0.039) 0.769 4.624 ( 0.731 0.422 0.467) 0.965 4.667 ( 0.657 0.379 -0.536) 0.928 4.678 ( 0.048 0.028 -0.203) 0.210 4.730 ( 0.798 0.461 0.241) 0.953 4.758 ( 1.368 0.790 2.138) 2.658 4.859 ( 0.492 0.284 1.747) 1.837 4.907 ( -0.822 -0.475 -1.590) 1.852 ======================= Grid point 875 (252/288) ======================= q-point: ( 0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( -0.000 5.054 11.352) 12.426 0.590 ( -0.000 9.744 15.593) 18.387 0.756 ( 0.000 5.921 -9.496) 11.191 0.797 ( 0.000 11.658 -9.607) 15.107 1.022 ( -0.000 2.234 4.330) 4.872 1.073 ( -0.000 17.066 27.634) 32.479 1.110 ( 0.000 3.242 -1.116) 3.429 1.177 ( -0.000 14.903 3.374) 15.281 1.212 ( -0.000 13.241 -1.726) 13.353 1.790 ( 0.000 4.684 -28.605) 28.986 3.009 ( -0.000 -1.132 18.017) 18.052 3.351 ( 0.000 -0.943 -9.770) 9.816 4.447 ( 0.000 0.350 -0.170) 0.390 4.451 ( -0.000 0.825 -0.036) 0.826 4.484 ( -0.000 0.710 -0.032) 0.710 4.485 ( -0.000 -0.019 0.694) 0.694 4.520 ( -0.000 0.767 0.255) 0.808 4.521 ( 0.000 1.498 -0.575) 1.604 4.569 ( -0.000 -0.637 0.346) 0.725 4.588 ( -0.000 0.675 -0.057) 0.677 4.695 ( -0.000 1.322 0.706) 1.499 4.739 ( 0.000 1.800 -0.911) 2.018 4.762 ( 0.000 0.251 -0.354) 0.434 4.837 ( 0.000 -1.568 -4.414) 4.684 ======================= Grid point 876 (253/288) ======================= q-point: ( 0.43 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 10.423 6.530 7.755) 14.540 0.707 ( 1.831 6.377 15.291) 16.668 0.776 ( -1.039 9.686 -8.459) 12.901 0.990 ( 8.145 5.013 -10.597) 14.275 1.110 ( 4.936 3.701 3.768) 7.230 1.169 ( 2.023 5.849 -1.764) 6.436 1.378 ( 6.068 14.617 4.351) 16.414 1.412 ( 9.089 21.646 18.162) 29.682 1.433 ( 9.276 13.213 -1.565) 16.220 1.865 ( 6.483 11.011 -23.190) 26.477 3.029 ( 0.251 -0.399 16.839) 16.846 3.319 ( -0.564 -0.585 -10.592) 10.623 4.450 ( -0.258 -0.439 1.111) 1.222 4.468 ( 0.598 1.033 0.416) 1.264 4.475 ( -0.229 -0.318 1.535) 1.584 4.500 ( 0.675 1.152 -0.015) 1.336 4.535 ( 0.684 1.210 0.049) 1.390 4.547 ( 0.253 0.275 -1.565) 1.609 4.565 ( 0.801 1.054 -1.480) 1.986 4.601 ( 0.553 1.050 -0.088) 1.190 4.714 ( 0.484 1.121 0.755) 1.435 4.753 ( 0.124 -0.127 -0.967) 0.983 4.771 ( 0.278 0.888 -1.251) 1.560 4.813 ( -0.084 -0.131 -1.766) 1.772 ======================= Grid point 877 (254/288) ======================= q-point: ( 0.50 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 5.104 8.793 1.580) 10.289 0.837 ( 4.584 6.160 8.493) 11.449 0.889 ( 4.705 9.798 -0.486) 10.880 1.103 ( 4.137 1.684 -13.293) 14.024 1.242 ( 4.024 5.735 1.834) 7.242 1.265 ( 1.809 7.443 -1.901) 7.892 1.611 ( 5.847 9.223 5.956) 12.439 1.726 ( 11.403 8.578 -1.721) 14.373 1.861 ( 15.502 18.327 13.700) 27.638 2.150 ( 14.656 14.207 -14.764) 25.192 3.089 ( 3.199 2.154 14.386) 14.894 3.298 ( 0.575 1.156 -11.000) 11.075 4.411 ( -2.332 -2.841 4.317) 5.670 4.484 ( 0.472 0.111 0.634) 0.798 4.503 ( 0.958 2.127 0.066) 2.334 4.522 ( -0.266 -0.860 -2.110) 2.294 4.531 ( 0.622 1.645 -0.351) 1.794 4.568 ( 1.150 1.660 0.033) 2.019 4.600 ( 1.459 1.279 -4.287) 4.706 4.628 ( 1.016 1.576 -0.067) 1.876 4.719 ( -0.537 -0.620 -1.070) 1.348 4.749 ( -0.133 -0.408 -0.383) 0.575 4.775 ( 0.402 0.859 2.452) 2.629 4.842 ( 1.879 1.496 -0.880) 2.558 ======================= Grid point 878 (255/288) ======================= q-point: ( 0.57 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 1.908 9.421 -4.122) 10.459 0.991 ( 4.918 4.588 5.956) 8.983 1.096 ( 5.604 9.945 2.940) 11.788 1.151 ( 2.097 4.016 -10.937) 11.838 1.355 ( 1.379 7.727 -1.241) 7.946 1.376 ( 1.875 7.998 0.811) 8.255 1.754 ( 2.371 2.307 9.131) 9.712 1.944 ( 7.472 2.374 -3.387) 8.541 2.324 ( 16.912 14.293 10.852) 24.659 2.539 ( 16.951 12.271 -10.219) 23.289 3.241 ( 7.851 4.905 10.841) 14.256 3.340 ( 3.924 3.763 -10.221) 11.577 4.343 ( -2.868 -3.413 5.795) 7.311 4.444 ( -2.003 -3.022 -4.589) 5.848 4.534 ( 1.176 1.171 1.087) 1.984 4.544 ( 0.838 2.159 0.285) 2.334 4.567 ( 0.803 2.474 0.147) 2.605 4.602 ( 1.082 1.124 -1.559) 2.206 4.624 ( 0.733 1.772 -3.399) 3.903 4.665 ( 1.139 2.157 0.080) 2.440 4.700 ( -0.427 -0.974 0.535) 1.191 4.733 ( -0.377 -1.305 -0.557) 1.468 4.807 ( 1.091 1.091 3.588) 3.905 4.884 ( 1.729 0.817 -1.377) 2.357 ======================= Grid point 879 (256/288) ======================= q-point: ( 0.64 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 1.178 7.392 -2.752) 7.975 1.115 ( 3.843 3.779 1.002) 5.482 1.207 ( 1.523 6.899 -3.009) 7.679 1.301 ( 4.557 10.162 1.274) 11.209 1.439 ( -0.255 7.845 -1.876) 8.070 1.475 ( -0.008 8.392 0.722) 8.423 1.778 ( -1.235 -1.801 10.995) 11.210 2.010 ( 1.321 -1.936 -5.664) 6.130 2.745 ( 15.712 10.503 9.057) 20.957 2.909 ( 15.320 9.119 -7.761) 19.444 3.461 ( 6.820 4.683 -7.542) 11.194 3.474 ( 10.337 5.476 6.957) 13.610 4.274 ( -2.185 -3.442 6.379) 7.571 4.361 ( -2.585 -3.868 -5.771) 7.413 4.558 ( 0.301 -0.359 0.676) 0.822 4.566 ( 0.092 0.036 -0.060) 0.115 4.605 ( 0.670 2.522 0.585) 2.674 4.619 ( 0.247 1.092 -1.699) 2.035 4.650 ( 0.134 2.360 -0.774) 2.487 4.691 ( 0.005 0.007 -0.112) 0.112 4.705 ( 0.627 2.069 0.178) 2.170 4.723 ( 0.568 0.343 0.267) 0.716 4.837 ( 0.843 0.303 3.145) 3.270 4.908 ( 0.891 -0.011 -1.555) 1.792 ======================= Grid point 880 (257/288) ======================= q-point: ( 0.71 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.658 6.107 0.626) 6.174 1.200 ( 1.310 5.003 -1.221) 5.314 1.303 ( 1.493 6.426 1.540) 6.775 1.463 ( 2.700 8.054 0.011) 8.494 1.493 ( -1.064 7.321 -1.742) 7.601 1.541 ( -1.652 7.580 0.557) 7.778 1.737 ( -2.757 -2.182 9.882) 10.488 1.954 ( -3.060 -2.872 -6.978) 8.142 3.088 ( 12.233 6.997 7.225) 15.836 3.202 ( 11.413 5.931 -4.999) 13.800 3.589 ( 4.702 2.463 -6.917) 8.719 3.711 ( 9.690 3.725 6.568) 12.284 4.232 ( -0.380 -2.798 1.580) 3.236 4.270 ( -1.489 -3.905 -2.004) 4.635 4.521 ( -1.609 -4.193 -0.191) 4.495 4.548 ( -0.254 -3.248 0.229) 3.266 4.635 ( -0.366 2.714 -0.838) 2.864 4.641 ( 0.370 2.540 0.799) 2.688 4.669 ( -0.138 1.732 -0.686) 1.868 4.695 ( -0.534 1.800 -0.176) 1.886 4.732 ( 0.529 1.823 0.521) 1.969 4.758 ( 0.858 2.531 1.018) 2.860 4.854 ( 0.588 -0.171 2.279) 2.360 4.908 ( -0.184 -0.567 -1.582) 1.690 ======================= Grid point 890 (258/288) ======================= q-point: ( 0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -0.000 7.770 7.753) 10.977 0.783 ( -0.000 5.251 17.366) 18.142 0.862 ( 0.000 7.661 -8.535) 11.469 0.968 ( 0.000 8.139 -11.233) 13.872 1.105 ( -0.000 4.461 4.133) 6.081 1.188 ( -0.000 4.853 -1.071) 4.970 1.498 ( -0.000 17.148 4.169) 17.647 1.513 ( -0.000 16.358 -1.657) 16.441 1.614 ( -0.000 25.290 13.903) 28.859 1.903 ( 0.000 16.081 -21.543) 26.883 3.052 ( -0.000 -0.011 16.094) 16.094 3.301 ( 0.000 0.058 -10.953) 10.954 4.452 ( -0.000 -1.239 2.202) 2.526 4.474 ( -0.000 1.466 -0.026) 1.466 4.475 ( -0.000 -0.117 2.566) 2.569 4.504 ( -0.000 1.339 -0.081) 1.341 4.542 ( 0.000 -0.996 -2.146) 2.366 4.543 ( -0.000 1.381 0.270) 1.407 4.568 ( 0.000 1.965 -2.652) 3.301 4.607 ( -0.000 1.267 -0.086) 1.269 4.722 ( 0.000 0.888 -0.644) 1.097 4.752 ( 0.000 0.231 -0.142) 0.271 4.776 ( 0.000 0.759 -1.161) 1.387 4.814 ( 0.000 1.101 -0.659) 1.283 ======================= Grid point 891 (259/288) ======================= q-point: ( 0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 10.143 7.778 4.898) 13.688 0.872 ( 1.553 5.340 13.731) 14.815 0.958 ( 1.969 10.739 -6.720) 12.820 1.033 ( 2.949 3.941 -11.090) 12.133 1.214 ( 5.480 5.228 3.560) 8.369 1.281 ( 4.190 5.955 -1.787) 7.497 1.677 ( 1.022 13.022 4.122) 13.696 1.687 ( 4.000 12.091 -3.160) 13.122 1.928 ( 4.876 24.074 13.065) 27.821 2.103 ( 6.451 18.923 -16.328) 25.813 3.097 ( 1.343 2.227 14.345) 14.579 3.290 ( 0.025 2.138 -11.010) 11.216 4.422 ( -1.494 -2.920 3.819) 5.034 4.482 ( -0.177 -0.433 0.925) 1.037 4.504 ( 1.375 1.877 -0.000) 2.327 4.516 ( -0.315 -0.557 -1.060) 1.238 4.532 ( 1.040 1.491 -0.302) 1.843 4.568 ( 0.942 1.819 0.093) 2.051 4.587 ( 0.635 1.654 -4.232) 4.588 4.628 ( 0.801 1.720 -0.132) 1.902 4.719 ( -0.410 -0.591 -1.150) 1.357 4.750 ( -0.467 -0.279 -0.848) 1.007 4.787 ( 0.156 1.641 1.902) 2.517 4.835 ( 0.662 1.968 -0.587) 2.157 ======================= Grid point 892 (260/288) ======================= q-point: ( 0.57 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 4.168 5.001 6.155) 8.959 1.014 ( 4.102 7.708 -0.807) 8.769 1.090 ( 5.461 8.047 -0.432) 9.735 1.145 ( 4.788 9.504 -7.749) 13.165 1.380 ( 5.562 7.068 2.057) 9.226 1.421 ( 3.845 8.347 -1.194) 9.267 1.786 ( -0.461 5.972 6.102) 8.551 1.847 ( 5.375 4.249 -3.958) 7.913 2.284 ( 8.853 19.463 11.375) 24.219 2.411 ( 11.213 16.499 -12.033) 23.297 3.203 ( 4.452 4.939 11.540) 13.319 3.318 ( 1.575 4.989 -10.311) 11.563 4.362 ( -2.471 -3.783 5.102) 6.815 4.436 ( -1.762 -3.562 -4.039) 5.666 4.530 ( 0.841 1.167 1.979) 2.446 4.555 ( 1.514 2.818 0.132) 3.201 4.577 ( 1.520 2.655 -0.086) 3.060 4.591 ( 0.343 0.784 -3.128) 3.243 4.622 ( 1.684 2.391 -1.065) 3.112 4.667 ( 1.281 2.338 -0.084) 2.667 4.699 ( -0.636 -1.043 0.046) 1.223 4.728 ( -0.862 -1.246 -0.735) 1.684 4.814 ( 0.400 1.633 2.566) 3.068 4.866 ( 1.063 1.204 -1.123) 1.960 ======================= Grid point 893 (261/288) ======================= q-point: ( 0.64 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 2.542 3.246 -0.140) 4.125 1.120 ( 3.080 6.341 0.466) 7.065 1.266 ( 2.509 10.997 -3.566) 11.830 1.345 ( 5.387 12.536 0.564) 13.656 1.527 ( 1.504 9.515 -1.174) 9.704 1.565 ( 2.066 10.100 0.798) 10.340 1.803 ( -1.972 -0.284 8.583) 8.811 1.930 ( 3.961 -1.951 -5.379) 6.959 2.642 ( 11.296 14.062 9.674) 20.467 2.746 ( 13.102 12.115 -9.156) 20.057 3.380 ( 7.676 5.670 8.186) 12.573 3.408 ( 4.118 6.344 -8.313) 11.239 4.286 ( -2.605 -4.328 5.717) 7.629 4.351 ( -2.419 -4.539 -5.196) 7.311 4.553 ( 0.265 -0.022 1.080) 1.112 4.573 ( -1.096 -0.679 -0.705) 1.470 4.616 ( 1.449 2.534 -0.823) 3.032 4.626 ( 0.533 2.696 0.228) 2.758 4.664 ( 0.689 1.214 -0.950) 1.688 4.693 ( 0.462 1.525 0.031) 1.594 4.707 ( 0.554 0.390 -0.007) 0.678 4.719 ( 1.393 2.419 0.119) 2.794 4.836 ( 0.287 0.657 2.429) 2.532 4.888 ( 1.004 0.116 -1.373) 1.704 ======================= Grid point 894 (262/288) ======================= q-point: ( 0.71 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 2.466 3.028 1.300) 4.116 1.243 ( 3.775 5.553 1.391) 6.857 1.385 ( -1.294 12.456 -4.167) 13.198 1.537 ( 2.216 11.729 1.497) 12.030 1.609 ( -2.205 8.981 -3.086) 9.749 1.674 ( -2.246 10.359 0.804) 10.630 1.767 ( -1.336 -2.149 9.646) 9.972 1.936 ( 0.958 -2.311 -6.073) 6.568 2.970 ( 11.553 9.309 7.630) 16.684 3.052 ( 12.289 8.115 -6.299) 16.017 3.527 ( 4.571 4.565 -7.114) 9.610 3.594 ( 9.205 3.966 6.816) 12.121 4.215 ( -1.474 -4.238 2.842) 5.312 4.252 ( -2.256 -5.135 -2.984) 6.353 4.510 ( -2.162 -4.294 -0.100) 4.809 4.534 ( -1.644 -3.409 0.313) 3.798 4.645 ( 0.501 1.094 -0.296) 1.239 4.660 ( 0.768 2.620 -0.050) 2.730 4.696 ( 0.449 3.148 -0.337) 3.198 4.721 ( 0.136 2.669 0.259) 2.685 4.744 ( 0.870 2.904 -0.008) 3.032 4.774 ( 1.280 3.310 0.312) 3.563 4.846 ( 0.295 -0.339 2.092) 2.139 4.897 ( 0.539 -0.475 -1.343) 1.523 ======================= Grid point 906 (263/288) ======================= q-point: ( 0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -0.000 7.753 5.809) 9.688 0.934 ( -0.000 4.793 13.036) 13.889 0.988 ( 0.000 7.733 -7.489) 10.765 1.064 ( 0.000 6.386 -9.399) 11.364 1.215 ( -0.000 5.029 3.664) 6.222 1.284 ( -0.000 5.060 -1.030) 5.164 1.768 ( 0.000 10.468 -5.841) 11.987 1.810 ( -0.000 11.402 5.159) 12.515 2.158 ( -0.000 24.586 10.521) 26.742 2.231 ( 0.000 21.879 -14.025) 25.988 3.140 ( -0.000 4.171 13.149) 13.795 3.304 ( 0.000 4.651 -10.509) 11.493 4.413 ( -0.000 -3.261 3.780) 4.992 4.471 ( 0.000 -2.680 -1.824) 3.242 4.507 ( -0.000 1.798 -0.012) 1.798 4.521 ( -0.000 0.956 1.877) 2.106 4.535 ( -0.000 1.753 -0.156) 1.760 4.575 ( -0.000 1.718 0.302) 1.745 4.593 ( 0.000 1.643 -4.651) 4.932 4.637 ( -0.000 1.698 -0.124) 1.702 4.716 ( 0.000 -0.578 -0.434) 0.723 4.751 ( 0.000 -0.448 -0.976) 1.074 4.807 ( -0.000 2.116 0.968) 2.327 4.852 ( -0.000 2.184 0.010) 2.184 ======================= Grid point 907 (264/288) ======================= q-point: ( 0.57 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 9.148 7.079 3.267) 12.020 1.009 ( 1.681 4.657 7.437) 8.934 1.092 ( 2.495 5.512 -5.153) 7.948 1.143 ( 4.661 9.726 -4.894) 11.844 1.330 ( 6.353 5.046 3.207) 8.724 1.389 ( 6.042 5.368 -1.285) 8.184 1.839 ( 0.269 4.862 -7.104) 8.613 1.894 ( -1.854 6.470 6.145) 9.114 2.423 ( 2.344 21.682 5.460) 22.481 2.456 ( 3.191 21.015 -7.660) 22.594 3.228 ( 1.659 6.573 11.096) 13.003 3.349 ( 0.213 7.648 -9.589) 12.267 4.369 ( -1.720 -3.797 3.767) 5.618 4.421 ( -1.454 -3.760 -3.037) 5.047 4.534 ( 0.597 1.409 1.454) 2.111 4.546 ( 1.490 1.867 0.639) 2.473 4.570 ( 1.755 2.069 -0.084) 2.714 4.595 ( -0.055 1.222 -2.759) 3.018 4.612 ( 1.616 1.935 -0.249) 2.533 4.666 ( 1.287 2.082 -0.129) 2.451 4.702 ( -0.747 -0.784 0.011) 1.083 4.734 ( -0.963 -0.793 -0.830) 1.499 4.829 ( 0.144 1.762 0.167) 1.776 4.872 ( -0.028 1.699 0.293) 1.724 ======================= Grid point 908 (265/288) ======================= q-point: ( 0.64 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 2.174 3.964 1.350) 4.718 1.129 ( 3.047 6.017 -2.692) 7.262 1.246 ( 9.706 7.354 3.888) 12.784 1.355 ( 7.361 11.083 -2.967) 13.632 1.517 ( 8.023 5.605 2.608) 10.129 1.570 ( 7.530 6.893 -1.118) 10.269 1.844 ( -0.336 -0.978 -6.581) 6.662 1.900 ( -3.196 2.026 5.696) 6.838 2.681 ( 4.891 17.069 0.856) 17.777 2.711 ( 5.212 17.320 -1.862) 18.183 3.361 ( 3.714 7.143 8.845) 11.961 3.427 ( 0.959 9.003 -8.367) 12.328 4.297 ( -2.625 -4.375 3.364) 6.111 4.341 ( -2.530 -4.449 -3.009) 5.937 4.553 ( 0.030 0.033 1.231) 1.232 4.576 ( -0.428 -1.199 -1.597) 2.043 4.612 ( 1.722 2.539 0.599) 3.126 4.629 ( 2.106 1.986 -0.620) 2.960 4.661 ( 0.808 1.098 0.383) 1.416 4.692 ( 1.076 1.096 0.337) 1.572 4.709 ( -0.039 0.781 -0.738) 1.075 4.720 ( 1.308 2.475 -0.245) 2.810 4.844 ( 0.067 0.788 -0.250) 0.830 4.883 ( -0.171 0.780 0.315) 0.858 ======================= Grid point 909 (266/288) ======================= q-point: ( 0.71 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 2.025 3.508 -0.000) 4.051 1.232 ( 3.094 5.359 -0.000) 6.188 1.476 ( 5.483 9.498 -0.000) 10.967 1.576 ( 5.718 9.905 -0.000) 11.437 1.686 ( 3.176 5.502 -0.000) 6.353 1.744 ( 3.504 6.070 0.000) 7.009 1.807 ( -0.232 -0.403 0.000) 0.465 1.877 ( 0.377 0.654 -0.000) 0.755 2.928 ( 6.997 12.120 0.000) 13.994 2.965 ( 7.301 12.645 -0.000) 14.602 3.513 ( 3.728 6.456 0.000) 7.455 3.525 ( 3.616 6.263 -0.000) 7.232 4.210 ( -2.591 -4.488 0.000) 5.182 4.242 ( -2.924 -5.064 0.000) 5.848 4.508 ( -2.520 -4.365 0.000) 5.041 4.532 ( -2.036 -3.527 0.000) 4.072 4.646 ( 0.366 0.634 -0.000) 0.732 4.666 ( 1.222 2.116 0.000) 2.443 4.706 ( 1.797 3.113 0.000) 3.594 4.734 ( 1.657 2.870 0.000) 3.314 4.760 ( 1.947 3.373 0.000) 3.895 4.772 ( 1.406 2.436 0.000) 2.813 4.847 ( -0.017 -0.029 -0.000) 0.034 4.885 ( 0.034 0.059 0.000) 0.068 ======================= Grid point 922 (267/288) ======================= q-point: ( 0.57 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.000 6.474 4.815) 8.068 1.061 ( -0.000 4.485 7.387) 8.641 1.108 ( 0.000 6.747 -6.590) 9.431 1.180 ( 0.000 7.840 -4.062) 8.829 1.320 ( -0.000 4.260 3.037) 5.232 1.375 ( -0.000 4.329 -0.934) 4.428 1.860 ( 0.000 1.752 -9.264) 9.428 1.972 ( -0.000 2.938 7.005) 7.596 2.604 ( 0.000 20.749 -9.124) 22.666 2.658 ( -0.000 21.347 6.757) 22.391 3.308 ( -0.000 8.445 9.787) 12.927 3.422 ( 0.000 10.413 -8.500) 13.441 4.352 ( -0.000 -3.851 1.465) 4.120 4.395 ( 0.000 -3.803 -1.102) 3.959 4.542 ( -0.000 1.773 0.006) 1.773 4.556 ( -0.000 1.446 1.496) 2.080 4.570 ( -0.000 1.812 -0.259) 1.831 4.606 ( 0.000 0.742 -1.602) 1.765 4.610 ( -0.000 1.726 0.368) 1.764 4.672 ( -0.000 1.839 -0.168) 1.847 4.702 ( 0.000 -0.768 -0.117) 0.776 4.734 ( 0.000 -0.718 -0.766) 1.050 4.844 ( 0.000 1.532 -1.406) 2.079 4.891 ( -0.000 1.420 1.174) 1.842 ======================= Grid point 923 (268/288) ======================= q-point: ( 0.64 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 7.371 5.465 1.771) 9.345 1.113 ( 1.694 4.514 1.940) 5.197 1.200 ( 3.266 5.900 -0.454) 6.759 1.311 ( 6.792 8.622 -2.475) 11.252 1.427 ( 6.915 3.690 2.716) 8.295 1.479 ( 7.249 4.074 -0.828) 8.356 1.834 ( -1.106 -1.683 -10.170) 10.368 1.976 ( -2.240 -0.224 7.342) 7.680 2.793 ( 1.156 18.331 -8.947) 20.430 2.869 ( 0.171 18.445 7.001) 19.730 3.418 ( 0.856 8.534 8.376) 11.988 3.514 ( -0.553 11.403 -7.578) 13.702 4.297 ( -1.886 -3.854 -0.723) 4.352 4.338 ( -2.067 -4.031 0.890) 4.617 4.557 ( -0.400 0.046 0.814) 0.908 4.569 ( -0.098 0.082 -1.156) 1.163 4.606 ( 1.670 1.545 0.479) 2.325 4.613 ( 1.171 1.257 -0.057) 1.719 4.647 ( 1.882 1.324 0.650) 2.391 4.691 ( -0.034 -0.106 0.135) 0.175 4.706 ( 1.475 1.600 -0.382) 2.209 4.726 ( -0.025 0.839 -0.896) 1.228 4.851 ( -0.220 0.853 -2.067) 2.247 4.900 ( -0.429 0.743 1.438) 1.675 ======================= Grid point 939 (269/288) ======================= q-point: (-0.36 -0.36 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -0.000 4.448 4.273) 6.168 1.162 ( -0.000 4.052 2.179) 4.601 1.204 ( 0.000 5.175 -5.913) 7.858 1.340 ( -0.000 8.814 -0.147) 8.816 1.399 ( -0.000 2.757 2.433) 3.677 1.446 ( 0.000 3.114 -0.775) 3.209 1.799 ( 0.000 -3.483 -10.927) 11.469 1.990 ( -0.000 -3.140 7.670) 8.288 2.948 ( 0.000 17.031 -8.389) 18.985 3.054 ( -0.000 16.170 6.163) 17.305 3.510 ( -0.000 8.035 7.665) 11.104 3.625 ( 0.000 11.925 -6.930) 13.792 4.279 ( 0.000 -2.865 -2.368) 3.717 4.324 ( -0.000 -3.640 2.484) 4.406 4.572 ( 0.000 -0.766 -0.524) 0.928 4.574 ( -0.000 1.407 0.024) 1.408 4.602 ( -0.000 0.700 0.172) 0.720 4.602 ( -0.000 -0.099 0.735) 0.742 4.643 ( -0.000 1.396 0.460) 1.470 4.686 ( -0.000 -0.858 0.228) 0.888 4.705 ( -0.000 1.577 -0.211) 1.591 4.732 ( 0.000 1.120 -1.289) 1.708 4.857 ( 0.000 0.620 -2.518) 2.593 4.911 ( -0.000 0.107 1.644) 1.648 ======================= Grid point 1078 (270/288) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( -0.000 0.000 13.909) 13.909 0.395 ( -0.000 0.000 13.909) 13.909 0.652 ( 0.000 -0.000 -10.702) 10.702 0.652 ( 0.000 -0.000 -10.702) 10.702 0.997 ( -0.000 0.000 36.927) 36.927 1.015 ( -0.000 0.000 3.638) 3.638 1.015 ( -0.000 0.000 3.638) 3.638 1.070 ( 0.000 -0.000 -1.586) 1.586 1.070 ( 0.000 -0.000 -1.586) 1.586 1.701 ( 0.000 -0.000 -30.817) 30.817 3.053 ( -0.000 0.000 17.445) 17.445 3.345 ( 0.000 -0.000 -10.324) 10.324 4.443 ( 0.000 -0.000 -0.030) 0.030 4.443 ( 0.000 -0.000 -0.030) 0.030 4.477 ( 0.000 -0.000 -0.010) 0.010 4.477 ( 0.000 -0.000 -0.010) 0.010 4.513 ( -0.000 0.000 0.205) 0.205 4.513 ( -0.000 0.000 0.205) 0.205 4.581 ( 0.000 -0.000 -0.036) 0.036 4.581 ( 0.000 -0.000 -0.036) 0.036 4.674 ( -0.000 0.000 0.063) 0.063 4.716 ( -0.000 0.000 0.568) 0.568 4.761 ( -0.000 0.000 0.739) 0.739 4.846 ( 0.000 -0.000 -5.912) 5.912 ======================= Grid point 1079 (271/288) ======================= q-point: ( 0.43 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 6.659 3.844 11.882) 14.153 0.575 ( 9.714 5.608 11.733) 16.232 0.633 ( 2.029 1.171 -10.457) 10.716 0.845 ( 12.631 7.293 -9.860) 17.605 1.066 ( 3.078 1.777 2.642) 4.428 1.090 ( 2.343 1.352 -1.820) 3.260 1.149 ( 10.496 6.060 8.329) 14.706 1.167 ( 11.392 6.577 25.574) 28.759 1.224 ( 12.237 7.065 -0.959) 14.162 1.688 ( 4.732 2.732 -28.780) 29.294 3.071 ( -0.790 -0.456 16.697) 16.722 3.314 ( -0.958 -0.553 -11.133) 11.188 4.449 ( 0.412 0.238 1.009) 1.116 4.451 ( 0.702 0.406 -0.006) 0.811 4.484 ( 0.605 0.349 -0.028) 0.699 4.484 ( 0.227 0.131 0.701) 0.748 4.521 ( 0.693 0.400 0.175) 0.820 4.524 ( 1.290 0.745 -0.773) 1.678 4.568 ( -0.865 -0.500 0.431) 1.088 4.588 ( 0.561 0.324 -0.018) 0.648 4.695 ( 1.224 0.707 -0.311) 1.448 4.738 ( 1.441 0.832 -0.524) 1.744 4.763 ( 0.063 0.036 0.373) 0.380 4.820 ( -1.050 -0.606 -4.462) 4.624 ======================= Grid point 1080 (272/288) ======================= q-point: ( 0.50 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 5.346 3.086 -5.742) 8.431 0.722 ( 7.387 4.265 6.443) 10.690 0.785 ( 7.431 4.290 11.526) 14.369 1.041 ( 5.426 3.132 -14.600) 15.888 1.151 ( 4.027 2.325 -0.660) 4.697 1.167 ( 4.320 2.494 0.495) 5.013 1.444 ( 12.770 7.373 5.692) 15.806 1.543 ( 15.461 8.927 0.937) 17.878 1.587 ( 19.514 11.267 15.853) 27.551 1.883 ( 16.028 9.254 -18.919) 26.466 3.093 ( 0.805 0.465 15.262) 15.291 3.273 ( -0.517 -0.298 -11.862) 11.877 4.453 ( -1.259 -0.727 2.232) 2.664 4.473 ( 1.266 0.731 0.026) 1.462 4.483 ( 0.237 0.137 3.382) 3.393 4.504 ( 1.125 0.649 -0.034) 1.299 4.537 ( -0.836 -0.483 -2.495) 2.675 4.544 ( 1.247 0.720 0.113) 1.445 4.569 ( 1.592 0.919 -3.343) 3.815 4.606 ( 1.071 0.618 0.011) 1.236 4.717 ( 0.582 0.336 -0.590) 0.895 4.752 ( -0.037 -0.021 -1.024) 1.025 4.769 ( 0.371 0.214 0.392) 0.581 4.816 ( 1.514 0.874 -0.608) 1.850 ======================= Grid point 1081 (273/288) ======================= q-point: ( 0.57 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 5.911 3.413 -6.923) 9.722 0.907 ( 7.279 4.203 7.812) 11.475 0.968 ( 7.245 4.183 7.410) 11.176 1.087 ( 2.211 1.276 -14.527) 14.750 1.245 ( 4.307 2.487 -1.990) 5.357 1.272 ( 4.506 2.601 1.158) 5.330 1.697 ( 7.719 4.457 7.663) 11.755 1.850 ( 10.906 6.296 -2.569) 12.852 2.081 ( 20.644 11.919 12.956) 27.131 2.282 ( 19.808 11.436 -11.745) 25.711 3.183 ( 5.321 3.072 12.352) 13.796 3.270 ( 2.538 1.465 -11.523) 11.890 4.404 ( -3.118 -1.800 4.520) 5.779 4.480 ( -2.036 -1.175 -2.489) 3.424 4.506 ( 1.564 0.903 0.041) 1.807 4.525 ( 1.060 0.612 1.385) 1.849 4.534 ( 1.468 0.847 0.030) 1.695 4.576 ( 1.548 0.894 -0.031) 1.788 4.594 ( 1.203 0.694 -5.428) 5.603 4.636 ( 1.445 0.834 0.070) 1.670 4.714 ( -0.511 -0.295 0.099) 0.599 4.748 ( -0.439 -0.253 -0.465) 0.687 4.793 ( 1.482 0.855 3.064) 3.510 4.861 ( 2.102 1.214 -1.183) 2.701 ======================= Grid point 1082 (274/288) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 5.329 3.077 -5.527) 8.271 1.073 ( 6.065 3.501 6.778) 9.746 1.100 ( 3.044 1.758 -6.601) 7.478 1.165 ( 7.132 4.117 0.840) 8.278 1.334 ( 3.650 2.107 -2.293) 4.798 1.369 ( 3.806 2.198 1.011) 4.510 1.810 ( 1.011 0.584 10.209) 10.276 2.004 ( 3.112 1.797 -5.312) 6.413 2.550 ( 18.505 10.684 10.395) 23.762 2.701 ( 17.962 10.371 -8.678) 22.483 3.359 ( 6.739 3.891 -9.583) 12.344 3.377 ( 9.593 5.539 8.896) 14.207 4.337 ( -3.308 -1.910 5.417) 6.628 4.409 ( -3.281 -1.895 -4.857) 6.160 4.542 ( 1.543 0.891 0.018) 1.782 4.557 ( 1.213 0.700 1.012) 1.728 4.569 ( 1.533 0.885 0.186) 1.780 4.609 ( 0.654 0.378 -2.780) 2.881 4.612 ( 1.533 0.885 -0.249) 1.787 4.671 ( 1.580 0.912 0.151) 1.830 4.700 ( -0.665 -0.384 0.473) 0.902 4.732 ( -0.734 -0.424 0.051) 0.849 4.832 ( 1.265 0.730 3.002) 3.339 4.898 ( 1.281 0.740 -1.540) 2.135 ======================= Grid point 1094 (275/288) ======================= q-point: ( 0.43 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -0.000 3.984 11.578) 12.244 0.666 ( -0.000 11.795 13.492) 17.921 0.705 ( 0.000 6.280 -10.244) 12.015 0.745 ( 0.000 11.675 -10.119) 15.450 1.042 ( -0.000 2.330 3.703) 4.375 1.103 ( 0.000 3.328 -1.488) 3.646 1.188 ( -0.000 13.627 4.319) 14.295 1.201 ( -0.000 13.130 -0.664) 13.147 1.229 ( -0.000 13.779 26.294) 29.686 1.639 ( 0.000 5.978 -29.272) 29.876 3.098 ( -0.000 -1.184 16.118) 16.162 3.295 ( 0.000 -0.984 -11.664) 11.705 4.451 ( -0.000 0.825 -0.031) 0.825 4.451 ( -0.000 0.572 1.397) 1.509 4.484 ( -0.000 0.700 -0.016) 0.700 4.488 ( -0.000 0.542 0.626) 0.828 4.518 ( 0.000 0.918 -0.552) 1.071 4.521 ( -0.000 0.779 0.175) 0.798 4.570 ( 0.000 -0.877 0.113) 0.884 4.588 ( -0.000 0.668 -0.051) 0.670 4.695 ( -0.000 1.473 -0.304) 1.504 4.736 ( 0.000 1.337 -0.591) 1.462 4.763 ( -0.000 0.059 0.435) 0.439 4.814 ( 0.000 -0.822 -3.944) 4.028 ======================= Grid point 1095 (276/288) ======================= q-point: ( 0.50 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 9.846 5.482 8.260) 13.973 0.727 ( -0.845 10.128 -8.300) 13.122 0.789 ( 1.076 7.012 14.241) 15.911 0.931 ( 7.520 4.735 -12.018) 14.947 1.129 ( 4.499 3.718 3.200) 6.656 1.159 ( 1.723 5.845 -2.139) 6.458 1.397 ( 5.732 14.782 3.095) 16.154 1.424 ( 9.529 12.953 -2.002) 16.205 1.514 ( 8.971 18.907 20.773) 29.486 1.746 ( 8.105 12.989 -22.714) 27.393 3.113 ( 0.076 -0.595 15.179) 15.190 3.259 ( -0.603 -0.540 -12.223) 12.250 4.458 ( -0.091 -0.128 1.447) 1.455 4.471 ( 0.780 1.369 0.583) 1.680 4.487 ( -0.155 -0.234 2.900) 2.913 4.500 ( 0.650 1.100 0.062) 1.279 4.532 ( 0.295 0.590 -2.090) 2.192 4.540 ( 0.649 0.907 -0.556) 1.246 4.557 ( 0.045 -0.090 -1.454) 1.457 4.601 ( 0.565 1.032 -0.049) 1.178 4.713 ( 0.437 0.903 -0.815) 1.293 4.748 ( 0.224 0.290 -1.329) 1.378 4.768 ( 0.214 0.628 0.333) 0.743 4.806 ( 0.393 0.602 -0.723) 1.020 ======================= Grid point 1096 (277/288) ======================= q-point: ( 0.57 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 1.950 10.208 -5.279) 11.656 0.885 ( 6.057 8.895 7.418) 13.071 0.912 ( 5.381 4.811 8.376) 11.057 1.031 ( 3.698 2.488 -13.698) 14.405 1.244 ( 2.480 6.576 -1.647) 7.218 1.263 ( 3.047 6.869 1.257) 7.619 1.640 ( 6.763 9.334 5.164) 12.631 1.715 ( 11.358 8.182 -2.578) 14.234 1.936 ( 14.685 17.409 14.920) 27.227 2.074 ( 16.041 15.043 -14.255) 26.207 3.161 ( 2.674 1.719 13.089) 13.470 3.238 ( 0.680 1.393 -12.052) 12.151 4.430 ( -1.845 -2.377 2.809) 4.116 4.487 ( -1.072 -1.781 0.018) 2.079 4.503 ( 0.811 1.960 -0.118) 2.125 4.517 ( 0.641 0.430 0.719) 1.055 4.530 ( 0.888 1.904 0.059) 2.102 4.566 ( 1.047 1.198 -1.201) 1.993 4.577 ( 1.158 1.597 -3.182) 3.743 4.628 ( 1.048 1.556 0.030) 1.876 4.715 ( -0.223 -0.446 -0.441) 0.665 4.746 ( -0.141 -0.536 -0.443) 0.710 4.788 ( 0.882 1.303 2.051) 2.585 4.837 ( 1.727 1.378 -0.860) 2.371 ======================= Grid point 1097 (278/288) ======================= q-point: ( 0.64 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 1.589 10.427 -4.173) 11.343 1.020 ( 4.042 3.203 3.701) 6.348 1.094 ( 2.606 5.710 -5.850) 8.580 1.121 ( 6.149 9.094 2.722) 11.310 1.344 ( 1.234 7.919 -2.489) 8.392 1.382 ( 1.808 7.918 1.352) 8.234 1.799 ( 3.221 2.518 8.177) 9.142 1.923 ( 7.068 1.998 -4.745) 8.744 2.383 ( 16.374 13.842 11.566) 24.361 2.486 ( 17.682 12.557 -10.002) 23.882 3.284 ( 4.619 4.252 -9.190) 11.130 3.298 ( 6.850 4.351 8.681) 11.884 4.369 ( -2.565 -3.185 3.678) 5.500 4.422 ( -2.395 -3.344 -3.329) 5.292 4.538 ( 0.876 1.737 0.145) 1.951 4.548 ( 0.892 1.488 0.611) 1.840 4.569 ( 0.871 2.508 0.366) 2.680 4.590 ( 1.199 0.682 -1.629) 2.135 4.614 ( 0.907 2.538 -0.775) 2.804 4.666 ( 1.156 2.163 0.113) 2.456 4.702 ( -0.323 -1.007 0.214) 1.079 4.732 ( -0.279 -1.261 0.110) 1.296 4.823 ( 1.182 1.062 2.283) 2.781 4.877 ( 1.658 0.780 -1.330) 2.264 ======================= Grid point 1110 (279/288) ======================= q-point: ( 0.50 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -0.000 6.955 8.479) 10.966 0.816 ( 0.000 8.062 -9.051) 12.121 0.871 ( -0.000 5.064 14.736) 15.582 0.911 ( 0.000 7.867 -9.282) 12.167 1.125 ( -0.000 4.480 3.487) 5.678 1.182 ( 0.000 4.926 -1.392) 5.119 1.492 ( 0.000 15.746 -3.628) 16.159 1.524 ( -0.000 17.078 3.147) 17.365 1.694 ( -0.000 23.572 16.133) 28.564 1.793 ( 0.000 18.369 -20.510) 27.533 3.132 ( -0.000 -0.291 14.509) 14.512 3.240 ( 0.000 0.231 -12.320) 12.322 4.462 ( -0.000 -0.930 1.324) 1.618 4.474 ( -0.000 1.469 -0.032) 1.469 4.494 ( -0.000 0.086 4.363) 4.364 4.504 ( -0.000 1.319 -0.045) 1.320 4.529 ( 0.000 -0.739 -3.162) 3.247 4.544 ( -0.000 1.402 0.163) 1.412 4.555 ( 0.000 0.708 -1.989) 2.111 4.607 ( -0.000 1.256 -0.076) 1.259 4.716 ( 0.000 0.591 -1.005) 1.166 4.749 ( 0.000 0.502 -0.799) 0.944 4.775 ( -0.000 1.056 0.167) 1.069 4.812 ( -0.000 1.459 -0.016) 1.460 ======================= Grid point 1111 (280/288) ======================= q-point: ( 0.57 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 9.252 7.115 5.637) 12.962 0.918 ( 3.089 10.092 -4.512) 11.478 0.942 ( 0.328 5.358 4.823) 7.217 0.983 ( 2.690 4.931 -3.789) 6.776 1.231 ( 5.212 5.253 2.997) 7.984 1.272 ( 4.047 6.098 -1.922) 7.567 1.665 ( 4.300 11.308 -4.377) 12.866 1.699 ( 1.213 13.571 3.514) 14.071 1.994 ( 5.373 22.349 8.575) 24.533 2.023 ( 6.751 20.697 -10.536) 24.185 3.169 ( 1.098 1.757 12.940) 13.105 3.230 ( 0.052 2.517 -11.835) 12.099 4.436 ( -1.204 -2.437 1.000) 2.897 4.485 ( -1.146 -2.683 0.321) 2.935 4.503 ( 1.331 1.773 -0.058) 2.218 4.518 ( 0.298 1.124 1.182) 1.658 4.531 ( 1.109 1.698 -0.098) 2.030 4.563 ( 0.282 1.340 -1.862) 2.312 4.572 ( 1.161 1.920 -0.450) 2.288 4.628 ( 0.805 1.704 -0.079) 1.886 4.715 ( -0.308 -0.331 -0.370) 0.584 4.746 ( -0.447 -0.342 -0.454) 0.723 4.793 ( 0.521 1.709 0.124) 1.791 4.834 ( 0.450 1.991 0.214) 2.052 ======================= Grid point 1112 (281/288) ======================= q-point: ( 0.64 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 3.960 6.859 -0.000) 7.921 1.004 ( 2.436 4.219 0.000) 4.872 1.097 ( 4.620 8.003 0.000) 9.241 1.117 ( 6.640 11.501 -0.000) 13.281 1.386 ( 4.413 7.644 -0.000) 8.826 1.417 ( 4.634 8.026 -0.000) 9.268 1.808 ( 2.623 4.544 0.000) 5.247 1.831 ( 3.067 5.312 -0.000) 6.134 2.335 ( 10.259 17.768 0.000) 20.517 2.359 ( 10.354 17.934 -0.000) 20.708 3.257 ( 2.940 5.093 0.000) 5.881 3.267 ( 2.791 4.834 -0.000) 5.582 4.378 ( -2.072 -3.588 0.000) 4.143 4.422 ( -2.210 -3.827 0.000) 4.419 4.537 ( 0.705 1.221 0.000) 1.410 4.556 ( 1.530 2.650 -0.000) 3.060 4.576 ( 1.296 2.245 0.000) 2.593 4.580 ( 0.728 1.260 0.000) 1.455 4.619 ( 1.540 2.667 0.000) 3.080 4.667 ( 1.335 2.312 0.000) 2.670 4.699 ( -0.573 -0.993 0.000) 1.146 4.726 ( -0.748 -1.296 0.000) 1.496 4.822 ( 0.808 1.400 0.000) 1.616 4.862 ( 0.763 1.322 0.000) 1.526 ======================= Grid point 1126 (282/288) ======================= q-point: ( 0.57 0.57 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -0.000 7.254 6.568) 9.786 0.948 ( 0.000 8.071 -7.803) 11.227 0.995 ( -0.000 4.791 4.650) 6.676 1.027 ( -0.000 6.023 0.910) 6.092 1.232 ( -0.000 4.993 2.979) 5.814 1.278 ( 0.000 5.130 -1.252) 5.280 1.735 ( 0.000 9.703 -6.809) 11.854 1.834 ( -0.000 12.049 3.841) 12.646 2.150 ( 0.000 22.811 -13.335) 26.423 2.223 ( -0.000 23.904 10.849) 26.251 3.206 ( -0.000 3.588 11.904) 12.432 3.247 ( 0.000 5.198 -10.978) 12.146 4.421 ( 0.000 -3.068 -1.257) 3.316 4.468 ( -0.000 -3.324 1.256) 3.553 4.506 ( -0.000 1.804 -0.029) 1.805 4.531 ( -0.000 1.337 0.563) 1.451 4.534 ( -0.000 1.722 -0.099) 1.725 4.576 ( -0.000 1.751 0.181) 1.761 4.577 ( -0.000 1.625 -0.044) 1.626 4.636 ( -0.000 1.685 -0.109) 1.688 4.715 ( 0.000 -0.403 -0.205) 0.452 4.747 ( 0.000 -0.467 -0.287) 0.548 4.805 ( 0.000 1.935 -1.482) 2.438 4.855 ( -0.000 2.285 1.041) 2.511 ======================= Grid point 1300 (283/288) ======================= q-point: ( 0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -0.000 0.000 13.137) 13.137 0.465 ( -0.000 0.000 13.137) 13.137 0.595 ( 0.000 -0.000 -11.508) 11.508 0.595 ( 0.000 -0.000 -11.508) 11.508 1.032 ( -0.000 0.000 2.961) 2.961 1.032 ( -0.000 0.000 2.961) 2.961 1.061 ( 0.000 -0.000 -1.928) 1.928 1.061 ( 0.000 -0.000 -1.928) 1.928 1.185 ( -0.000 0.000 35.189) 35.189 1.537 ( 0.000 -0.000 -31.962) 31.962 3.138 ( -0.000 0.000 15.422) 15.422 3.286 ( 0.000 -0.000 -12.056) 12.056 4.442 ( 0.000 -0.000 -0.016) 0.016 4.442 ( 0.000 -0.000 -0.016) 0.016 4.477 ( 0.000 -0.000 -0.005) 0.005 4.477 ( 0.000 -0.000 -0.005) 0.005 4.514 ( -0.000 0.000 0.113) 0.113 4.514 ( -0.000 0.000 0.113) 0.113 4.581 ( 0.000 -0.000 -0.020) 0.020 4.581 ( 0.000 -0.000 -0.020) 0.020 4.676 ( -0.000 0.000 1.064) 1.064 4.720 ( -0.000 0.000 0.738) 0.738 4.765 ( -0.000 0.000 0.651) 0.651 4.816 ( 0.000 -0.000 -4.871) 4.871 ======================= Grid point 1301 (284/288) ======================= q-point: ( 0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 2.779 1.604 -7.800) 8.434 0.593 ( 5.739 3.313 8.292) 10.615 0.634 ( 9.953 5.747 11.126) 15.996 0.791 ( 12.234 7.063 -10.867) 17.823 1.073 ( 2.349 1.356 -1.264) 2.992 1.085 ( 2.891 1.669 1.080) 3.508 1.171 ( 11.053 6.382 3.348) 13.195 1.215 ( 12.187 7.036 -1.620) 14.165 1.324 ( 8.560 4.942 30.201) 31.778 1.537 ( 6.327 3.653 -29.146) 30.047 3.153 ( -0.834 -0.482 14.599) 14.631 3.252 ( -1.015 -0.586 -12.506) 12.561 4.451 ( 0.708 0.409 0.010) 0.818 4.456 ( 0.821 0.474 1.120) 1.467 4.484 ( 0.601 0.347 -0.015) 0.694 4.488 ( 0.635 0.367 0.662) 0.989 4.519 ( 0.608 0.351 -0.899) 1.141 4.522 ( 0.691 0.399 0.062) 0.800 4.570 ( -0.932 -0.538 0.223) 1.100 4.588 ( 0.565 0.326 0.008) 0.653 4.694 ( 1.089 0.629 -0.072) 1.259 4.734 ( 0.926 0.535 -0.841) 1.361 4.764 ( -0.042 -0.024 0.164) 0.171 4.803 ( -0.251 -0.145 -1.845) 1.868 ======================= Grid point 1302 (285/288) ======================= q-point: ( 0.57 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 5.433 3.136 -8.752) 10.768 0.768 ( 7.360 4.250 9.349) 12.635 0.846 ( 6.945 4.009 11.455) 13.983 0.961 ( 4.703 2.716 -15.767) 16.676 1.141 ( 3.899 2.251 -2.724) 5.262 1.174 ( 4.341 2.506 1.600) 5.262 1.470 ( 13.167 7.602 4.612) 15.888 1.538 ( 14.972 8.644 -1.986) 17.402 1.683 ( 17.918 10.345 19.440) 28.389 1.787 ( 18.313 10.573 -17.586) 27.504 3.167 ( 0.476 0.275 12.040) 12.053 3.209 ( -0.443 -0.255 -11.497) 11.509 4.462 ( -0.935 -0.540 0.993) 1.467 4.474 ( 1.271 0.734 0.032) 1.468 4.503 ( 0.662 0.382 3.799) 3.875 4.504 ( 1.130 0.653 0.006) 1.305 4.522 ( -0.920 -0.531 -3.174) 3.347 4.544 ( 1.233 0.712 -0.027) 1.424 4.554 ( 0.417 0.241 -1.847) 1.909 4.607 ( 1.079 0.623 0.049) 1.246 4.714 ( 0.497 0.287 -0.276) 0.637 4.747 ( 0.377 0.218 -0.357) 0.563 4.774 ( 0.789 0.456 0.814) 1.222 4.813 ( 1.451 0.838 -0.429) 1.730 ======================= Grid point 1316 (286/288) ======================= q-point: ( 0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( -0.000 3.215 11.382) 11.827 0.650 ( 0.000 6.688 -10.900) 12.788 0.691 ( 0.000 11.572 -10.577) 15.677 0.732 ( -0.000 13.301 11.959) 17.887 1.060 ( -0.000 2.429 3.029) 3.883 1.094 ( 0.000 3.421 -1.829) 3.879 1.186 ( -0.000 12.997 -2.548) 13.244 1.205 ( -0.000 14.107 2.028) 14.252 1.379 ( -0.000 9.842 28.543) 30.192 1.486 ( 0.000 7.625 -28.848) 29.838 3.175 ( -0.000 -1.161 13.036) 13.087 3.232 ( 0.000 -1.024 -11.924) 11.968 4.451 ( -0.000 0.822 -0.023) 0.823 4.457 ( -0.000 1.062 0.695) 1.269 4.484 ( -0.000 0.694 -0.000) 0.694 4.490 ( -0.000 0.999 -0.032) 1.000 4.516 ( -0.000 0.272 0.116) 0.295 4.522 ( -0.000 0.790 0.063) 0.792 4.570 ( 0.000 -1.034 -0.075) 1.037 4.588 ( -0.000 0.660 -0.033) 0.661 4.694 ( -0.000 1.197 -0.050) 1.198 4.732 ( 0.000 0.907 -0.419) 0.999 4.764 ( -0.000 0.009 0.042) 0.043 4.801 ( 0.000 -0.104 -0.964) 0.970 ======================= Grid point 1317 (287/288) ======================= q-point: ( 0.57 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 4.134 7.161 -0.000) 8.269 0.692 ( 4.822 8.351 0.000) 9.643 0.851 ( 3.237 5.607 0.000) 6.475 0.875 ( 3.867 6.697 -0.000) 7.733 1.141 ( 2.562 4.438 -0.000) 5.124 1.150 ( 3.091 5.354 -0.000) 6.182 1.409 ( 7.910 13.700 0.000) 15.820 1.414 ( 7.935 13.744 -0.000) 15.870 1.615 ( 9.089 15.743 0.000) 18.178 1.640 ( 8.946 15.494 -0.000) 17.891 3.178 ( -0.270 -0.467 -0.000) 0.539 3.201 ( -0.391 -0.678 0.000) 0.783 4.462 ( 0.041 0.072 0.000) 0.083 4.473 ( 0.612 1.061 0.000) 1.225 4.498 ( 0.545 0.944 0.000) 1.090 4.502 ( 0.459 0.796 0.000) 0.919 4.520 ( -0.021 -0.037 0.000) 0.042 4.539 ( 0.750 1.298 0.000) 1.499 4.553 ( -0.466 -0.808 0.000) 0.933 4.601 ( 0.587 1.017 0.000) 1.174 4.710 ( 0.431 0.747 0.000) 0.863 4.743 ( 0.282 0.488 0.000) 0.564 4.770 ( 0.384 0.664 0.000) 0.767 4.805 ( 0.456 0.789 0.000) 0.911 ======================= Grid point 1527 (288/288) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 0.000 -0.000 -0.000) 0.000 0.526 ( 0.000 -0.000 -0.000) 0.000 0.538 ( -0.000 0.000 0.000) 0.000 0.538 ( -0.000 0.000 0.000) 0.000 1.043 ( 0.000 -0.000 -0.000) 0.000 1.043 ( 0.000 -0.000 -0.000) 0.000 1.052 ( -0.000 0.000 0.000) 0.000 1.052 ( -0.000 0.000 0.000) 0.000 1.347 ( 0.000 -0.000 -0.000) 0.000 1.383 ( -0.000 0.000 0.000) 0.000 3.203 ( -0.000 0.000 0.000) 0.000 3.230 ( 0.000 -0.000 -0.000) 0.000 4.442 ( -0.000 0.000 0.000) 0.000 4.442 ( -0.000 0.000 0.000) 0.000 4.477 ( -0.000 0.000 0.000) 0.000 4.477 ( -0.000 0.000 0.000) 0.000 4.514 ( -0.000 0.000 0.000) 0.000 4.514 ( -0.000 0.000 0.000) 0.000 4.581 ( -0.000 0.000 0.000) 0.000 4.581 ( -0.000 0.000 0.000) 0.000 4.680 ( -0.000 0.000 0.000) 0.000 4.722 ( -0.000 0.000 0.000) 0.000 4.767 ( -0.000 0.000 0.000) 0.000 4.802 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/65856 10.0 325.896 325.896 547.846 0.000 -0.000 -0.000 3/65856 20.0 201.427 201.427 230.218 0.000 -0.000 -0.000 3/65856 30.0 121.517 121.517 134.356 0.000 -0.000 -0.000 3/65856 40.0 74.918 74.918 84.558 0.000 -0.000 -0.000 3/65856 50.0 51.180 51.180 58.929 0.000 -0.000 -0.000 3/65856 60.0 38.184 38.184 44.564 0.000 -0.000 -0.000 3/65856 70.0 30.321 30.321 35.704 0.000 -0.000 -0.000 3/65856 80.0 25.145 25.145 29.785 0.000 -0.000 -0.000 3/65856 90.0 21.504 21.504 25.578 0.000 -0.000 -0.000 3/65856 100.0 18.810 18.810 22.440 0.000 -0.000 -0.000 3/65856 110.0 16.736 16.736 20.010 0.000 -0.000 -0.000 3/65856 120.0 15.089 15.089 18.070 0.000 -0.000 -0.000 3/65856 130.0 13.749 13.749 16.486 0.000 -0.000 -0.000 3/65856 140.0 12.635 12.635 15.166 0.000 -0.000 -0.000 3/65856 150.0 11.694 11.694 14.048 0.000 -0.000 -0.000 3/65856 160.0 10.888 10.888 13.088 0.000 -0.000 -0.000 3/65856 170.0 10.189 10.189 12.255 0.000 -0.000 -0.000 3/65856 180.0 9.577 9.577 11.525 0.000 -0.000 -0.000 3/65856 190.0 9.037 9.037 10.878 0.000 -0.000 -0.000 3/65856 200.0 8.556 8.556 10.302 0.000 -0.000 -0.000 3/65856 210.0 8.124 8.124 9.786 0.000 -0.000 -0.000 3/65856 220.0 7.735 7.735 9.320 0.000 -0.000 -0.000 3/65856 230.0 7.383 7.383 8.897 0.000 -0.000 -0.000 3/65856 240.0 7.061 7.061 8.511 0.000 -0.000 -0.000 3/65856 250.0 6.768 6.768 8.158 0.000 -0.000 -0.000 3/65856 260.0 6.497 6.497 7.834 0.000 -0.000 -0.000 3/65856 270.0 6.249 6.249 7.535 0.000 -0.000 -0.000 3/65856 280.0 6.018 6.018 7.258 0.000 -0.000 -0.000 3/65856 290.0 5.805 5.805 7.001 0.000 -0.000 -0.000 3/65856 300.0 5.606 5.606 6.762 0.000 -0.000 -0.000 3/65856 310.0 5.420 5.420 6.539 0.000 -0.000 -0.000 3/65856 320.0 5.247 5.247 6.330 0.000 -0.000 -0.000 3/65856 330.0 5.084 5.084 6.134 0.000 -0.000 -0.000 3/65856 340.0 4.932 4.932 5.951 0.000 -0.000 -0.000 3/65856 350.0 4.788 4.788 5.778 0.000 -0.000 -0.000 3/65856 360.0 4.653 4.653 5.614 0.000 -0.000 -0.000 3/65856 370.0 4.525 4.525 5.460 0.000 -0.000 -0.000 3/65856 380.0 4.404 4.404 5.315 0.000 -0.000 -0.000 3/65856 390.0 4.289 4.289 5.176 0.000 -0.000 -0.000 3/65856 400.0 4.180 4.180 5.045 0.000 -0.000 -0.000 3/65856 410.0 4.077 4.077 4.921 0.000 -0.000 -0.000 3/65856 420.0 3.979 3.979 4.802 0.000 -0.000 -0.000 3/65856 430.0 3.885 3.885 4.689 0.000 -0.000 -0.000 3/65856 440.0 3.796 3.796 4.582 0.000 -0.000 -0.000 3/65856 450.0 3.710 3.710 4.479 0.000 -0.000 -0.000 3/65856 460.0 3.629 3.629 4.381 0.000 -0.000 -0.000 3/65856 470.0 3.551 3.551 4.287 0.000 -0.000 -0.000 3/65856 480.0 3.476 3.476 4.197 0.000 -0.000 -0.000 3/65856 490.0 3.405 3.405 4.110 0.000 -0.000 -0.000 3/65856 500.0 3.336 3.336 4.027 0.000 -0.000 -0.000 3/65856 510.0 3.270 3.270 3.948 0.000 -0.000 -0.000 3/65856 520.0 3.207 3.207 3.871 0.000 -0.000 -0.000 3/65856 530.0 3.146 3.146 3.798 0.000 -0.000 -0.000 3/65856 540.0 3.087 3.087 3.727 0.000 -0.000 -0.000 3/65856 550.0 3.031 3.031 3.659 0.000 -0.000 -0.000 3/65856 560.0 2.976 2.976 3.593 0.000 -0.000 -0.000 3/65856 570.0 2.924 2.924 3.530 0.000 -0.000 -0.000 3/65856 580.0 2.873 2.873 3.469 0.000 -0.000 -0.000 3/65856 590.0 2.824 2.824 3.410 0.000 -0.000 -0.000 3/65856 600.0 2.777 2.777 3.352 0.000 -0.000 -0.000 3/65856 610.0 2.731 2.731 3.297 0.000 -0.000 -0.000 3/65856 620.0 2.687 2.687 3.244 0.000 -0.000 -0.000 3/65856 630.0 2.644 2.644 3.192 0.000 -0.000 -0.000 3/65856 640.0 2.602 2.602 3.142 0.000 -0.000 -0.000 3/65856 650.0 2.562 2.562 3.094 0.000 -0.000 -0.000 3/65856 660.0 2.523 2.523 3.046 0.000 -0.000 -0.000 3/65856 670.0 2.485 2.485 3.001 0.000 -0.000 -0.000 3/65856 680.0 2.448 2.448 2.957 0.000 -0.000 -0.000 3/65856 690.0 2.413 2.413 2.914 0.000 -0.000 -0.000 3/65856 700.0 2.378 2.378 2.872 0.000 -0.000 -0.000 3/65856 710.0 2.345 2.345 2.831 0.000 -0.000 -0.000 3/65856 720.0 2.312 2.312 2.792 0.000 -0.000 -0.000 3/65856 730.0 2.280 2.280 2.753 0.000 -0.000 -0.000 3/65856 740.0 2.249 2.249 2.716 0.000 -0.000 -0.000 3/65856 750.0 2.219 2.219 2.680 0.000 -0.000 -0.000 3/65856 760.0 2.190 2.190 2.644 0.000 -0.000 -0.000 3/65856 770.0 2.161 2.161 2.610 0.000 -0.000 -0.000 3/65856 780.0 2.134 2.134 2.576 0.000 -0.000 -0.000 3/65856 790.0 2.107 2.107 2.544 0.000 -0.000 -0.000 3/65856 800.0 2.080 2.080 2.512 0.000 -0.000 -0.000 3/65856 810.0 2.054 2.054 2.481 0.000 -0.000 -0.000 3/65856 820.0 2.029 2.029 2.451 0.000 -0.000 -0.000 3/65856 830.0 2.005 2.005 2.421 0.000 -0.000 -0.000 3/65856 840.0 1.981 1.981 2.392 0.000 -0.000 -0.000 3/65856 850.0 1.957 1.957 2.364 0.000 -0.000 -0.000 3/65856 860.0 1.935 1.935 2.336 0.000 -0.000 -0.000 3/65856 870.0 1.912 1.912 2.309 0.000 -0.000 -0.000 3/65856 880.0 1.891 1.891 2.283 0.000 -0.000 -0.000 3/65856 890.0 1.869 1.869 2.257 0.000 -0.000 -0.000 3/65856 900.0 1.849 1.849 2.232 0.000 -0.000 -0.000 3/65856 910.0 1.828 1.828 2.208 0.000 -0.000 -0.000 3/65856 920.0 1.808 1.808 2.184 0.000 -0.000 -0.000 3/65856 930.0 1.789 1.789 2.160 0.000 -0.000 -0.000 3/65856 940.0 1.770 1.770 2.137 0.000 -0.000 -0.000 3/65856 950.0 1.751 1.751 2.115 0.000 -0.000 -0.000 3/65856 960.0 1.733 1.733 2.093 0.000 -0.000 -0.000 3/65856 970.0 1.715 1.715 2.071 0.000 -0.000 -0.000 3/65856 980.0 1.697 1.697 2.050 0.000 -0.000 -0.000 3/65856 990.0 1.680 1.680 2.029 0.000 -0.000 -0.000 3/65856 1000.0 1.663 1.663 2.009 0.000 -0.000 -0.000 3/65856 Thermal conductivity related properties were written into "kappa-m141414.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:21:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|