----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:02:18]------------------------- 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: [1 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.354743012800507 -3.152846980000000 0.000000000000000 b 4.354743012800507 3.152846980000000 0.000000000000000 c -3.099759464673686 0.000000000000000 6.647129208041274 Atomic positions (fractional): *1 F 0.20557593949720 0.24110143010608 0.61433636237213 18.998 2 F 0.75889856989392 0.79442406050280 0.88566363762787 18.998 3 F 0.79442406050280 0.75889856989392 0.38566363762787 18.998 4 F 0.24110143010608 0.20557593949720 0.11433636237213 18.998 *5 F 0.06100511789785 0.93899488210215 0.75000000000000 18.998 6 F 0.93899488210215 0.06100511789784 0.25000000000000 18.998 *7 F 0.27392299048221 0.70314663959879 0.02750027677756 18.998 8 F 0.29685336040121 0.72607700951779 0.47249972322244 18.998 9 F 0.72607700951779 0.29685336040121 0.97249972322244 18.998 10 F 0.70314663959879 0.27392299048221 0.52750027677756 18.998 *11 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 12 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 *13 Ca 0.54390343743592 0.45609656256408 0.25000000000000 40.078 14 Ca 0.45609656256408 0.54390343743592 0.75000000000000 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.709486025601015 0.000000000000000 0.000000000000000 b 0.000000000000000 6.305693960000000 0.000000000000000 c -3.099759464673686 0.000000000000000 6.647129208041274 Atomic positions (fractional): *1 F 0.72333868480164 0.51776274530444 0.61433636237213 18.998 > 1 2 F 0.27666131519836 0.51776274530444 0.88566363762787 18.998 > 2 3 F 0.27666131519836 0.48223725469556 0.38566363762787 18.998 > 3 4 F 0.72333868480164 0.48223725469556 0.11433636237213 18.998 > 4 *5 F 0.00000000000000 0.93899488210215 0.75000000000000 18.998 > 5 6 F 0.00000000000000 0.06100511789784 0.25000000000000 18.998 > 6 *7 F 0.98853481504050 0.71461182455829 0.02750027677756 18.998 > 7 8 F 0.01146518495950 0.71461182455829 0.47249972322244 18.998 > 8 9 F 0.01146518495950 0.28538817544171 0.97249972322244 18.998 > 9 10 F 0.98853481504050 0.28538817544171 0.52750027677756 18.998 > 10 11 F 0.22333868480164 0.01776274530444 0.61433636237213 18.998 > 1 12 F 0.77666131519836 0.01776274530444 0.88566363762787 18.998 > 2 13 F 0.77666131519836 0.98223725469556 0.38566363762787 18.998 > 3 14 F 0.22333868480164 0.98223725469556 0.11433636237213 18.998 > 4 15 F 0.50000000000000 0.43899488210215 0.75000000000000 18.998 > 5 16 F 0.50000000000000 0.56100511789785 0.25000000000000 18.998 > 6 17 F 0.48853481504050 0.21461182455829 0.02750027677756 18.998 > 7 18 F 0.51146518495950 0.21461182455829 0.47249972322244 18.998 > 8 19 F 0.51146518495950 0.78538817544171 0.97249972322244 18.998 > 9 20 F 0.48853481504050 0.78538817544171 0.52750027677756 18.998 > 10 *21 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 11 22 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 12 23 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 11 24 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 12 *25 Ca 0.00000000000000 0.45609656256408 0.25000000000000 40.078 > 13 26 Ca 0.00000000000000 0.54390343743592 0.75000000000000 40.078 > 14 27 Ca 0.50000000000000 0.95609656256408 0.25000000000000 40.078 > 13 28 Ca 0.50000000000000 0.04390343743592 0.75000000000000 40.078 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.709486025601015 0.000000000000000 0.000000000000000 b 0.000000000000000 12.611387920000000 0.000000000000000 c -6.199518929347372 0.000000000000000 13.294258416082547 Atomic positions (fractional): *1 F 0.72333868480164 0.25888137265222 0.30716818118607 18.998 > 1 2 F 0.72333868480164 0.75888137265222 0.30716818118607 18.998 > 1 3 F 0.72333868480164 0.25888137265222 0.80716818118607 18.998 > 1 4 F 0.72333868480164 0.75888137265222 0.80716818118607 18.998 > 1 5 F 0.27666131519836 0.25888137265222 0.44283181881393 18.998 > 2 6 F 0.27666131519836 0.75888137265222 0.44283181881393 18.998 > 2 7 F 0.27666131519836 0.25888137265222 0.94283181881393 18.998 > 2 8 F 0.27666131519836 0.75888137265222 0.94283181881393 18.998 > 2 9 F 0.27666131519836 0.24111862734778 0.19283181881393 18.998 > 3 10 F 0.27666131519836 0.74111862734778 0.19283181881393 18.998 > 3 11 F 0.27666131519836 0.24111862734778 0.69283181881393 18.998 > 3 12 F 0.27666131519836 0.74111862734778 0.69283181881393 18.998 > 3 13 F 0.72333868480164 0.24111862734778 0.05716818118607 18.998 > 4 14 F 0.72333868480164 0.74111862734778 0.05716818118607 18.998 > 4 15 F 0.72333868480164 0.24111862734778 0.55716818118607 18.998 > 4 16 F 0.72333868480164 0.74111862734778 0.55716818118607 18.998 > 4 *17 F 0.00000000000000 0.46949744105108 0.37500000000000 18.998 > 5 18 F 0.00000000000000 0.96949744105108 0.37500000000000 18.998 > 5 19 F 0.00000000000000 0.46949744105108 0.87500000000000 18.998 > 5 20 F 0.00000000000000 0.96949744105108 0.87500000000000 18.998 > 5 21 F 0.00000000000000 0.03050255894892 0.12500000000000 18.998 > 6 22 F 0.00000000000000 0.53050255894892 0.12500000000000 18.998 > 6 23 F 0.00000000000000 0.03050255894892 0.62500000000000 18.998 > 6 24 F 0.00000000000000 0.53050255894892 0.62500000000000 18.998 > 6 *25 F 0.98853481504050 0.35730591227914 0.01375013838878 18.998 > 7 26 F 0.98853481504050 0.85730591227914 0.01375013838878 18.998 > 7 27 F 0.98853481504050 0.35730591227914 0.51375013838878 18.998 > 7 28 F 0.98853481504050 0.85730591227914 0.51375013838878 18.998 > 7 29 F 0.01146518495950 0.35730591227914 0.23624986161122 18.998 > 8 30 F 0.01146518495950 0.85730591227914 0.23624986161122 18.998 > 8 31 F 0.01146518495950 0.35730591227914 0.73624986161122 18.998 > 8 32 F 0.01146518495950 0.85730591227914 0.73624986161122 18.998 > 8 33 F 0.01146518495950 0.14269408772086 0.48624986161122 18.998 > 9 34 F 0.01146518495950 0.64269408772086 0.48624986161122 18.998 > 9 35 F 0.01146518495950 0.14269408772086 0.98624986161122 18.998 > 9 36 F 0.01146518495950 0.64269408772086 0.98624986161122 18.998 > 9 37 F 0.98853481504050 0.14269408772086 0.26375013838878 18.998 > 10 38 F 0.98853481504050 0.64269408772086 0.26375013838878 18.998 > 10 39 F 0.98853481504050 0.14269408772086 0.76375013838878 18.998 > 10 40 F 0.98853481504050 0.64269408772086 0.76375013838878 18.998 > 10 41 F 0.22333868480164 0.00888137265222 0.30716818118607 18.998 > 1 42 F 0.22333868480164 0.50888137265222 0.30716818118607 18.998 > 1 43 F 0.22333868480164 0.00888137265222 0.80716818118607 18.998 > 1 44 F 0.22333868480164 0.50888137265222 0.80716818118607 18.998 > 1 45 F 0.77666131519836 0.00888137265222 0.44283181881393 18.998 > 2 46 F 0.77666131519836 0.50888137265222 0.44283181881393 18.998 > 2 47 F 0.77666131519836 0.00888137265222 0.94283181881393 18.998 > 2 48 F 0.77666131519836 0.50888137265222 0.94283181881393 18.998 > 2 49 F 0.77666131519836 0.49111862734778 0.19283181881393 18.998 > 3 50 F 0.77666131519836 0.99111862734778 0.19283181881393 18.998 > 3 51 F 0.77666131519836 0.49111862734778 0.69283181881393 18.998 > 3 52 F 0.77666131519836 0.99111862734778 0.69283181881393 18.998 > 3 53 F 0.22333868480164 0.49111862734778 0.05716818118607 18.998 > 4 54 F 0.22333868480164 0.99111862734778 0.05716818118607 18.998 > 4 55 F 0.22333868480164 0.49111862734778 0.55716818118607 18.998 > 4 56 F 0.22333868480164 0.99111862734778 0.55716818118607 18.998 > 4 57 F 0.50000000000000 0.21949744105108 0.37500000000000 18.998 > 5 58 F 0.50000000000000 0.71949744105108 0.37500000000000 18.998 > 5 59 F 0.50000000000000 0.21949744105108 0.87500000000000 18.998 > 5 60 F 0.50000000000000 0.71949744105108 0.87500000000000 18.998 > 5 61 F 0.50000000000000 0.28050255894892 0.12500000000000 18.998 > 6 62 F 0.50000000000000 0.78050255894892 0.12500000000000 18.998 > 6 63 F 0.50000000000000 0.28050255894892 0.62500000000000 18.998 > 6 64 F 0.50000000000000 0.78050255894892 0.62500000000000 18.998 > 6 65 F 0.48853481504050 0.10730591227915 0.01375013838878 18.998 > 7 66 F 0.48853481504050 0.60730591227914 0.01375013838878 18.998 > 7 67 F 0.48853481504050 0.10730591227915 0.51375013838878 18.998 > 7 68 F 0.48853481504050 0.60730591227914 0.51375013838878 18.998 > 7 69 F 0.51146518495950 0.10730591227915 0.23624986161122 18.998 > 8 70 F 0.51146518495950 0.60730591227914 0.23624986161122 18.998 > 8 71 F 0.51146518495950 0.10730591227915 0.73624986161122 18.998 > 8 72 F 0.51146518495950 0.60730591227914 0.73624986161122 18.998 > 8 73 F 0.51146518495950 0.39269408772086 0.48624986161122 18.998 > 9 74 F 0.51146518495950 0.89269408772086 0.48624986161122 18.998 > 9 75 F 0.51146518495950 0.39269408772086 0.98624986161122 18.998 > 9 76 F 0.51146518495950 0.89269408772086 0.98624986161122 18.998 > 9 77 F 0.48853481504050 0.39269408772086 0.26375013838878 18.998 > 10 78 F 0.48853481504050 0.89269408772086 0.26375013838878 18.998 > 10 79 F 0.48853481504050 0.39269408772086 0.76375013838878 18.998 > 10 80 F 0.48853481504050 0.89269408772086 0.76375013838878 18.998 > 10 *81 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 11 82 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 11 83 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 11 84 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 11 85 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 12 86 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 12 87 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 12 88 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 12 89 Al 0.50000000000000 0.25000000000000 0.25000000000000 26.982 > 11 90 Al 0.50000000000000 0.75000000000000 0.25000000000000 26.982 > 11 91 Al 0.50000000000000 0.25000000000000 0.75000000000000 26.982 > 11 92 Al 0.50000000000000 0.75000000000000 0.75000000000000 26.982 > 11 93 Al 0.50000000000000 0.25000000000000 0.00000000000000 26.982 > 12 94 Al 0.50000000000000 0.75000000000000 0.00000000000000 26.982 > 12 95 Al 0.50000000000000 0.25000000000000 0.50000000000000 26.982 > 12 96 Al 0.50000000000000 0.75000000000000 0.50000000000000 26.982 > 12 *97 Ca 0.00000000000000 0.22804828128204 0.12500000000000 40.078 > 13 98 Ca 0.00000000000000 0.72804828128204 0.12500000000000 40.078 > 13 99 Ca 0.00000000000000 0.22804828128204 0.62500000000000 40.078 > 13 100 Ca 0.00000000000000 0.72804828128204 0.62500000000000 40.078 > 13 101 Ca 0.00000000000000 0.27195171871796 0.37500000000000 40.078 > 14 102 Ca 0.00000000000000 0.77195171871796 0.37500000000000 40.078 > 14 103 Ca 0.00000000000000 0.27195171871796 0.87500000000000 40.078 > 14 104 Ca 0.00000000000000 0.77195171871796 0.87500000000000 40.078 > 14 105 Ca 0.50000000000000 0.47804828128204 0.12500000000000 40.078 > 13 106 Ca 0.50000000000000 0.97804828128204 0.12500000000000 40.078 > 13 107 Ca 0.50000000000000 0.47804828128204 0.62500000000000 40.078 > 13 108 Ca 0.50000000000000 0.97804828128204 0.62500000000000 40.078 > 13 109 Ca 0.50000000000000 0.02195171871796 0.37500000000000 40.078 > 14 110 Ca 0.50000000000000 0.52195171871796 0.37500000000000 40.078 > 14 111 Ca 0.50000000000000 0.02195171871796 0.87500000000000 40.078 > 14 112 Ca 0.50000000000000 0.52195171871796 0.87500000000000 40.078 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0450793 0.0000000 -0.0047749 0.0000000 2.0365071 0.0000000 -0.0047747 0.0000000 2.0502511 -------------------------- Born effective charges -------------------------- 1 F -1.4796532 -0.0724544 -0.3473494 -0.0555381 -0.7577199 -0.0046552 -0.3454106 -0.0138137 -0.8992719 2 F -1.4796532 0.0724544 -0.3473494 0.0555381 -0.7577199 0.0046552 -0.3454106 0.0138137 -0.8992719 3 F -1.4796532 -0.0724544 -0.3473494 -0.0555381 -0.7577199 -0.0046552 -0.3454106 -0.0138137 -0.8992719 4 F -1.4796532 0.0724544 -0.3473494 0.0555381 -0.7577199 0.0046552 -0.3454106 0.0138137 -0.8992719 5 F -0.8337543 0.0000000 0.3403973 0.0000000 -0.9438808 0.0000000 0.3440256 0.0000000 -1.4139674 6 F -0.8337543 0.0000000 0.3403973 0.0000000 -0.9438808 0.0000000 0.3440256 0.0000000 -1.4139674 7 F -0.7716579 -0.0542654 0.1678964 -0.0436429 -1.3876896 0.0866378 0.1667048 0.0968040 -1.0443642 8 F -0.7716579 0.0542654 0.1678964 0.0436429 -1.3876896 -0.0866378 0.1667048 -0.0968040 -1.0443642 9 F -0.7716579 -0.0542654 0.1678964 -0.0436429 -1.3876896 0.0866378 0.1667048 0.0968040 -1.0443642 10 F -0.7716579 0.0542654 0.1678964 0.0436429 -1.3876896 -0.0866378 0.1667048 -0.0968040 -1.0443642 11 Al 2.9001038 0.0941126 -0.0012436 0.0716041 2.9491915 -0.1003686 -0.0127685 -0.0959031 2.9170256 12 Al 2.9001038 -0.0941126 -0.0012436 -0.0716041 2.9491915 0.1003686 -0.0127685 0.0959031 2.9170256 13 Ca 2.4362727 0.0000000 0.0197523 0.0000000 2.2855083 0.0000000 0.0261547 0.0000000 2.3842142 14 Ca 2.4362727 0.0000000 0.0197523 0.0000000 2.2855083 0.0000000 0.0261547 0.0000000 2.3842142 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 9168/9168 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1865 Number of blocks in projector: 1865 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 410 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 233 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 233 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 233 Use standard eigh solver. Tree of FC basis block matrices: - (1865, 1829), data: False |-- (233, 228), data: True |-- (233, 228), data: True |-- (233, 228), data: True |-- (378, 372), data: True |-- (378, 372), data: True |-- (410, 401), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 2.981 Solver_block: 200 / 480 - Time: 3.033 Solver_block: 300 / 480 - Time: 3.015 Solver_block: 400 / 480 - Time: 3.023 Solver_block: 480 / 480 - Time: 2.443 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.542 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 9168/9168 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1865 Number of blocks in projector: 1865 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 410 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 233 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 233 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 233 Use standard eigh solver. Tree of FC basis block matrices: - (1865, 1829), data: False |-- (233, 228), data: True |-- (233, 228), data: True |-- (233, 228), data: True |-- (378, 372), data: True |-- (378, 372), data: True |-- (410, 401), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:02:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:02:53]------------------------- 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): [1 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.354743012800507 -3.152846980000000 0.000000000000000 b 4.354743012800507 3.152846980000000 0.000000000000000 c -3.099759464673686 0.000000000000000 6.647129208041274 Atomic positions (fractional): 1 F 0.20557593949720 0.24110143010608 0.61433636237213 18.998 2 F 0.75889856989392 0.79442406050280 0.88566363762787 18.998 3 F 0.79442406050280 0.75889856989392 0.38566363762787 18.998 4 F 0.24110143010608 0.20557593949720 0.11433636237213 18.998 5 F 0.06100511789785 0.93899488210215 0.75000000000000 18.998 6 F 0.93899488210215 0.06100511789784 0.25000000000000 18.998 7 F 0.27392299048221 0.70314663959879 0.02750027677756 18.998 8 F 0.29685336040121 0.72607700951779 0.47249972322244 18.998 9 F 0.72607700951779 0.29685336040121 0.97249972322244 18.998 10 F 0.70314663959879 0.27392299048221 0.52750027677756 18.998 11 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 12 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 13 Ca 0.54390343743592 0.45609656256408 0.25000000000000 40.078 14 Ca 0.45609656256408 0.54390343743592 0.75000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.709486025601015 0.000000000000000 0.000000000000000 b 0.000000000000000 12.611387920000000 0.000000000000000 c -6.199518929347372 0.000000000000000 13.294258416082547 Atomic positions (fractional): 1 F 0.72333868480164 0.25888137265222 0.30716818118607 18.998 > 1 2 F 0.72333868480164 0.75888137265222 0.30716818118607 18.998 > 1 3 F 0.72333868480164 0.25888137265222 0.80716818118607 18.998 > 1 4 F 0.72333868480164 0.75888137265222 0.80716818118607 18.998 > 1 5 F 0.27666131519836 0.25888137265222 0.44283181881393 18.998 > 5 6 F 0.27666131519836 0.75888137265222 0.44283181881393 18.998 > 5 7 F 0.27666131519836 0.25888137265222 0.94283181881393 18.998 > 5 8 F 0.27666131519836 0.75888137265222 0.94283181881393 18.998 > 5 9 F 0.27666131519836 0.24111862734778 0.19283181881393 18.998 > 9 10 F 0.27666131519836 0.74111862734778 0.19283181881393 18.998 > 9 11 F 0.27666131519836 0.24111862734778 0.69283181881393 18.998 > 9 12 F 0.27666131519836 0.74111862734778 0.69283181881393 18.998 > 9 13 F 0.72333868480164 0.24111862734778 0.05716818118607 18.998 > 13 14 F 0.72333868480164 0.74111862734778 0.05716818118607 18.998 > 13 15 F 0.72333868480164 0.24111862734778 0.55716818118607 18.998 > 13 16 F 0.72333868480164 0.74111862734778 0.55716818118607 18.998 > 13 17 F 0.00000000000000 0.46949744105108 0.37500000000000 18.998 > 17 18 F 0.00000000000000 0.96949744105108 0.37500000000000 18.998 > 17 19 F 0.00000000000000 0.46949744105108 0.87500000000000 18.998 > 17 20 F 0.00000000000000 0.96949744105108 0.87500000000000 18.998 > 17 21 F 0.00000000000000 0.03050255894892 0.12500000000000 18.998 > 21 22 F 0.00000000000000 0.53050255894892 0.12500000000000 18.998 > 21 23 F 0.00000000000000 0.03050255894892 0.62500000000000 18.998 > 21 24 F 0.00000000000000 0.53050255894892 0.62500000000000 18.998 > 21 25 F 0.98853481504050 0.35730591227914 0.01375013838878 18.998 > 25 26 F 0.98853481504050 0.85730591227914 0.01375013838878 18.998 > 25 27 F 0.98853481504050 0.35730591227914 0.51375013838878 18.998 > 25 28 F 0.98853481504050 0.85730591227914 0.51375013838878 18.998 > 25 29 F 0.01146518495950 0.35730591227914 0.23624986161122 18.998 > 29 30 F 0.01146518495950 0.85730591227914 0.23624986161122 18.998 > 29 31 F 0.01146518495950 0.35730591227914 0.73624986161122 18.998 > 29 32 F 0.01146518495950 0.85730591227914 0.73624986161122 18.998 > 29 33 F 0.01146518495950 0.14269408772086 0.48624986161122 18.998 > 33 34 F 0.01146518495950 0.64269408772086 0.48624986161122 18.998 > 33 35 F 0.01146518495950 0.14269408772086 0.98624986161122 18.998 > 33 36 F 0.01146518495950 0.64269408772086 0.98624986161122 18.998 > 33 37 F 0.98853481504050 0.14269408772086 0.26375013838878 18.998 > 37 38 F 0.98853481504050 0.64269408772086 0.26375013838878 18.998 > 37 39 F 0.98853481504050 0.14269408772086 0.76375013838878 18.998 > 37 40 F 0.98853481504050 0.64269408772086 0.76375013838878 18.998 > 37 41 F 0.22333868480164 0.00888137265222 0.30716818118607 18.998 > 1 42 F 0.22333868480164 0.50888137265222 0.30716818118607 18.998 > 1 43 F 0.22333868480164 0.00888137265222 0.80716818118607 18.998 > 1 44 F 0.22333868480164 0.50888137265222 0.80716818118607 18.998 > 1 45 F 0.77666131519836 0.00888137265222 0.44283181881393 18.998 > 5 46 F 0.77666131519836 0.50888137265222 0.44283181881393 18.998 > 5 47 F 0.77666131519836 0.00888137265222 0.94283181881393 18.998 > 5 48 F 0.77666131519836 0.50888137265222 0.94283181881393 18.998 > 5 49 F 0.77666131519836 0.49111862734778 0.19283181881393 18.998 > 9 50 F 0.77666131519836 0.99111862734778 0.19283181881393 18.998 > 9 51 F 0.77666131519836 0.49111862734778 0.69283181881393 18.998 > 9 52 F 0.77666131519836 0.99111862734778 0.69283181881393 18.998 > 9 53 F 0.22333868480164 0.49111862734778 0.05716818118607 18.998 > 13 54 F 0.22333868480164 0.99111862734778 0.05716818118607 18.998 > 13 55 F 0.22333868480164 0.49111862734778 0.55716818118607 18.998 > 13 56 F 0.22333868480164 0.99111862734778 0.55716818118607 18.998 > 13 57 F 0.50000000000000 0.21949744105108 0.37500000000000 18.998 > 17 58 F 0.50000000000000 0.71949744105108 0.37500000000000 18.998 > 17 59 F 0.50000000000000 0.21949744105108 0.87500000000000 18.998 > 17 60 F 0.50000000000000 0.71949744105108 0.87500000000000 18.998 > 17 61 F 0.50000000000000 0.28050255894892 0.12500000000000 18.998 > 21 62 F 0.50000000000000 0.78050255894892 0.12500000000000 18.998 > 21 63 F 0.50000000000000 0.28050255894892 0.62500000000000 18.998 > 21 64 F 0.50000000000000 0.78050255894892 0.62500000000000 18.998 > 21 65 F 0.48853481504050 0.10730591227915 0.01375013838878 18.998 > 25 66 F 0.48853481504050 0.60730591227914 0.01375013838878 18.998 > 25 67 F 0.48853481504050 0.10730591227915 0.51375013838878 18.998 > 25 68 F 0.48853481504050 0.60730591227914 0.51375013838878 18.998 > 25 69 F 0.51146518495950 0.10730591227915 0.23624986161122 18.998 > 29 70 F 0.51146518495950 0.60730591227914 0.23624986161122 18.998 > 29 71 F 0.51146518495950 0.10730591227915 0.73624986161122 18.998 > 29 72 F 0.51146518495950 0.60730591227914 0.73624986161122 18.998 > 29 73 F 0.51146518495950 0.39269408772086 0.48624986161122 18.998 > 33 74 F 0.51146518495950 0.89269408772086 0.48624986161122 18.998 > 33 75 F 0.51146518495950 0.39269408772086 0.98624986161122 18.998 > 33 76 F 0.51146518495950 0.89269408772086 0.98624986161122 18.998 > 33 77 F 0.48853481504050 0.39269408772086 0.26375013838878 18.998 > 37 78 F 0.48853481504050 0.89269408772086 0.26375013838878 18.998 > 37 79 F 0.48853481504050 0.39269408772086 0.76375013838878 18.998 > 37 80 F 0.48853481504050 0.89269408772086 0.76375013838878 18.998 > 37 81 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 81 82 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 81 83 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 81 84 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 81 85 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 85 86 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 85 87 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 85 88 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 85 89 Al 0.50000000000000 0.25000000000000 0.25000000000000 26.982 > 81 90 Al 0.50000000000000 0.75000000000000 0.25000000000000 26.982 > 81 91 Al 0.50000000000000 0.25000000000000 0.75000000000000 26.982 > 81 92 Al 0.50000000000000 0.75000000000000 0.75000000000000 26.982 > 81 93 Al 0.50000000000000 0.25000000000000 0.00000000000000 26.982 > 85 94 Al 0.50000000000000 0.75000000000000 0.00000000000000 26.982 > 85 95 Al 0.50000000000000 0.25000000000000 0.50000000000000 26.982 > 85 96 Al 0.50000000000000 0.75000000000000 0.50000000000000 26.982 > 85 97 Ca 0.00000000000000 0.22804828128204 0.12500000000000 40.078 > 97 98 Ca 0.00000000000000 0.72804828128204 0.12500000000000 40.078 > 97 99 Ca 0.00000000000000 0.22804828128204 0.62500000000000 40.078 > 97 100 Ca 0.00000000000000 0.72804828128204 0.62500000000000 40.078 > 97 101 Ca 0.00000000000000 0.27195171871796 0.37500000000000 40.078 > 101 102 Ca 0.00000000000000 0.77195171871796 0.37500000000000 40.078 > 101 103 Ca 0.00000000000000 0.27195171871796 0.87500000000000 40.078 > 101 104 Ca 0.00000000000000 0.77195171871796 0.87500000000000 40.078 > 101 105 Ca 0.50000000000000 0.47804828128204 0.12500000000000 40.078 > 97 106 Ca 0.50000000000000 0.97804828128204 0.12500000000000 40.078 > 97 107 Ca 0.50000000000000 0.47804828128204 0.62500000000000 40.078 > 97 108 Ca 0.50000000000000 0.97804828128204 0.62500000000000 40.078 > 97 109 Ca 0.50000000000000 0.02195171871796 0.37500000000000 40.078 > 101 110 Ca 0.50000000000000 0.52195171871796 0.37500000000000 40.078 > 101 111 Ca 0.50000000000000 0.02195171871796 0.87500000000000 40.078 > 101 112 Ca 0.50000000000000 0.52195171871796 0.87500000000000 40.078 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0450793 0.0000000 -0.0047749 0.0000000 2.0365071 0.0000000 -0.0047747 0.0000000 2.0502511 -------------------------- Born effective charges -------------------------- 1 F -1.4796532 -0.0724544 -0.3473494 -0.0555381 -0.7577199 -0.0046552 -0.3454106 -0.0138137 -0.8992719 2 F -1.4796532 0.0724544 -0.3473494 0.0555381 -0.7577199 0.0046552 -0.3454106 0.0138137 -0.8992719 3 F -1.4796532 -0.0724544 -0.3473494 -0.0555381 -0.7577199 -0.0046552 -0.3454106 -0.0138137 -0.8992719 4 F -1.4796532 0.0724544 -0.3473494 0.0555381 -0.7577199 0.0046552 -0.3454106 0.0138137 -0.8992719 5 F -0.8337543 0.0000000 0.3403973 0.0000000 -0.9438808 0.0000000 0.3440256 0.0000000 -1.4139674 6 F -0.8337543 0.0000000 0.3403973 0.0000000 -0.9438808 0.0000000 0.3440256 0.0000000 -1.4139674 7 F -0.7716579 -0.0542654 0.1678964 -0.0436429 -1.3876896 0.0866378 0.1667048 0.0968040 -1.0443642 8 F -0.7716579 0.0542654 0.1678964 0.0436429 -1.3876896 -0.0866378 0.1667048 -0.0968040 -1.0443642 9 F -0.7716579 -0.0542654 0.1678964 -0.0436429 -1.3876896 0.0866378 0.1667048 0.0968040 -1.0443642 10 F -0.7716579 0.0542654 0.1678964 0.0436429 -1.3876896 -0.0866378 0.1667048 -0.0968040 -1.0443642 11 Al 2.9001038 0.0941126 -0.0012436 0.0716041 2.9491915 -0.1003686 -0.0127685 -0.0959031 2.9170256 12 Al 2.9001038 -0.0941126 -0.0012436 -0.0716041 2.9491915 0.1003686 -0.0127685 0.0959031 2.9170256 13 Ca 2.4362727 0.0000000 0.0197523 0.0000000 2.2855083 0.0000000 0.0261547 0.0000000 2.3842142 14 Ca 2.4362727 0.0000000 0.0197523 0.0000000 2.2855083 0.0000000 0.0261547 0.0000000 2.3842142 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) 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 2026-01-07 23:03:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:03:14]------------------------- 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): [1 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.354743012800507 -3.152846980000000 0.000000000000000 b 4.354743012800507 3.152846980000000 0.000000000000000 c -3.099759464673686 0.000000000000000 6.647129208041274 Atomic positions (fractional): 1 F 0.20557593949720 0.24110143010608 0.61433636237213 18.998 2 F 0.75889856989392 0.79442406050280 0.88566363762787 18.998 3 F 0.79442406050280 0.75889856989392 0.38566363762787 18.998 4 F 0.24110143010608 0.20557593949720 0.11433636237213 18.998 5 F 0.06100511789785 0.93899488210215 0.75000000000000 18.998 6 F 0.93899488210215 0.06100511789784 0.25000000000000 18.998 7 F 0.27392299048221 0.70314663959879 0.02750027677756 18.998 8 F 0.29685336040121 0.72607700951779 0.47249972322244 18.998 9 F 0.72607700951779 0.29685336040121 0.97249972322244 18.998 10 F 0.70314663959879 0.27392299048221 0.52750027677756 18.998 11 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 12 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 13 Ca 0.54390343743592 0.45609656256408 0.25000000000000 40.078 14 Ca 0.45609656256408 0.54390343743592 0.75000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.709486025601015 0.000000000000000 0.000000000000000 b 0.000000000000000 12.611387920000000 0.000000000000000 c -6.199518929347372 0.000000000000000 13.294258416082547 Atomic positions (fractional): 1 F 0.72333868480164 0.25888137265222 0.30716818118607 18.998 > 1 2 F 0.72333868480164 0.75888137265222 0.30716818118607 18.998 > 1 3 F 0.72333868480164 0.25888137265222 0.80716818118607 18.998 > 1 4 F 0.72333868480164 0.75888137265222 0.80716818118607 18.998 > 1 5 F 0.27666131519836 0.25888137265222 0.44283181881393 18.998 > 5 6 F 0.27666131519836 0.75888137265222 0.44283181881393 18.998 > 5 7 F 0.27666131519836 0.25888137265222 0.94283181881393 18.998 > 5 8 F 0.27666131519836 0.75888137265222 0.94283181881393 18.998 > 5 9 F 0.27666131519836 0.24111862734778 0.19283181881393 18.998 > 9 10 F 0.27666131519836 0.74111862734778 0.19283181881393 18.998 > 9 11 F 0.27666131519836 0.24111862734778 0.69283181881393 18.998 > 9 12 F 0.27666131519836 0.74111862734778 0.69283181881393 18.998 > 9 13 F 0.72333868480164 0.24111862734778 0.05716818118607 18.998 > 13 14 F 0.72333868480164 0.74111862734778 0.05716818118607 18.998 > 13 15 F 0.72333868480164 0.24111862734778 0.55716818118607 18.998 > 13 16 F 0.72333868480164 0.74111862734778 0.55716818118607 18.998 > 13 17 F 0.00000000000000 0.46949744105108 0.37500000000000 18.998 > 17 18 F 0.00000000000000 0.96949744105108 0.37500000000000 18.998 > 17 19 F 0.00000000000000 0.46949744105108 0.87500000000000 18.998 > 17 20 F 0.00000000000000 0.96949744105108 0.87500000000000 18.998 > 17 21 F 0.00000000000000 0.03050255894892 0.12500000000000 18.998 > 21 22 F 0.00000000000000 0.53050255894892 0.12500000000000 18.998 > 21 23 F 0.00000000000000 0.03050255894892 0.62500000000000 18.998 > 21 24 F 0.00000000000000 0.53050255894892 0.62500000000000 18.998 > 21 25 F 0.98853481504050 0.35730591227914 0.01375013838878 18.998 > 25 26 F 0.98853481504050 0.85730591227914 0.01375013838878 18.998 > 25 27 F 0.98853481504050 0.35730591227914 0.51375013838878 18.998 > 25 28 F 0.98853481504050 0.85730591227914 0.51375013838878 18.998 > 25 29 F 0.01146518495950 0.35730591227914 0.23624986161122 18.998 > 29 30 F 0.01146518495950 0.85730591227914 0.23624986161122 18.998 > 29 31 F 0.01146518495950 0.35730591227914 0.73624986161122 18.998 > 29 32 F 0.01146518495950 0.85730591227914 0.73624986161122 18.998 > 29 33 F 0.01146518495950 0.14269408772086 0.48624986161122 18.998 > 33 34 F 0.01146518495950 0.64269408772086 0.48624986161122 18.998 > 33 35 F 0.01146518495950 0.14269408772086 0.98624986161122 18.998 > 33 36 F 0.01146518495950 0.64269408772086 0.98624986161122 18.998 > 33 37 F 0.98853481504050 0.14269408772086 0.26375013838878 18.998 > 37 38 F 0.98853481504050 0.64269408772086 0.26375013838878 18.998 > 37 39 F 0.98853481504050 0.14269408772086 0.76375013838878 18.998 > 37 40 F 0.98853481504050 0.64269408772086 0.76375013838878 18.998 > 37 41 F 0.22333868480164 0.00888137265222 0.30716818118607 18.998 > 1 42 F 0.22333868480164 0.50888137265222 0.30716818118607 18.998 > 1 43 F 0.22333868480164 0.00888137265222 0.80716818118607 18.998 > 1 44 F 0.22333868480164 0.50888137265222 0.80716818118607 18.998 > 1 45 F 0.77666131519836 0.00888137265222 0.44283181881393 18.998 > 5 46 F 0.77666131519836 0.50888137265222 0.44283181881393 18.998 > 5 47 F 0.77666131519836 0.00888137265222 0.94283181881393 18.998 > 5 48 F 0.77666131519836 0.50888137265222 0.94283181881393 18.998 > 5 49 F 0.77666131519836 0.49111862734778 0.19283181881393 18.998 > 9 50 F 0.77666131519836 0.99111862734778 0.19283181881393 18.998 > 9 51 F 0.77666131519836 0.49111862734778 0.69283181881393 18.998 > 9 52 F 0.77666131519836 0.99111862734778 0.69283181881393 18.998 > 9 53 F 0.22333868480164 0.49111862734778 0.05716818118607 18.998 > 13 54 F 0.22333868480164 0.99111862734778 0.05716818118607 18.998 > 13 55 F 0.22333868480164 0.49111862734778 0.55716818118607 18.998 > 13 56 F 0.22333868480164 0.99111862734778 0.55716818118607 18.998 > 13 57 F 0.50000000000000 0.21949744105108 0.37500000000000 18.998 > 17 58 F 0.50000000000000 0.71949744105108 0.37500000000000 18.998 > 17 59 F 0.50000000000000 0.21949744105108 0.87500000000000 18.998 > 17 60 F 0.50000000000000 0.71949744105108 0.87500000000000 18.998 > 17 61 F 0.50000000000000 0.28050255894892 0.12500000000000 18.998 > 21 62 F 0.50000000000000 0.78050255894892 0.12500000000000 18.998 > 21 63 F 0.50000000000000 0.28050255894892 0.62500000000000 18.998 > 21 64 F 0.50000000000000 0.78050255894892 0.62500000000000 18.998 > 21 65 F 0.48853481504050 0.10730591227915 0.01375013838878 18.998 > 25 66 F 0.48853481504050 0.60730591227914 0.01375013838878 18.998 > 25 67 F 0.48853481504050 0.10730591227915 0.51375013838878 18.998 > 25 68 F 0.48853481504050 0.60730591227914 0.51375013838878 18.998 > 25 69 F 0.51146518495950 0.10730591227915 0.23624986161122 18.998 > 29 70 F 0.51146518495950 0.60730591227914 0.23624986161122 18.998 > 29 71 F 0.51146518495950 0.10730591227915 0.73624986161122 18.998 > 29 72 F 0.51146518495950 0.60730591227914 0.73624986161122 18.998 > 29 73 F 0.51146518495950 0.39269408772086 0.48624986161122 18.998 > 33 74 F 0.51146518495950 0.89269408772086 0.48624986161122 18.998 > 33 75 F 0.51146518495950 0.39269408772086 0.98624986161122 18.998 > 33 76 F 0.51146518495950 0.89269408772086 0.98624986161122 18.998 > 33 77 F 0.48853481504050 0.39269408772086 0.26375013838878 18.998 > 37 78 F 0.48853481504050 0.89269408772086 0.26375013838878 18.998 > 37 79 F 0.48853481504050 0.39269408772086 0.76375013838878 18.998 > 37 80 F 0.48853481504050 0.89269408772086 0.76375013838878 18.998 > 37 81 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 81 82 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 81 83 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 81 84 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 81 85 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 85 86 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 85 87 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 85 88 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 85 89 Al 0.50000000000000 0.25000000000000 0.25000000000000 26.982 > 81 90 Al 0.50000000000000 0.75000000000000 0.25000000000000 26.982 > 81 91 Al 0.50000000000000 0.25000000000000 0.75000000000000 26.982 > 81 92 Al 0.50000000000000 0.75000000000000 0.75000000000000 26.982 > 81 93 Al 0.50000000000000 0.25000000000000 0.00000000000000 26.982 > 85 94 Al 0.50000000000000 0.75000000000000 0.00000000000000 26.982 > 85 95 Al 0.50000000000000 0.25000000000000 0.50000000000000 26.982 > 85 96 Al 0.50000000000000 0.75000000000000 0.50000000000000 26.982 > 85 97 Ca 0.00000000000000 0.22804828128204 0.12500000000000 40.078 > 97 98 Ca 0.00000000000000 0.72804828128204 0.12500000000000 40.078 > 97 99 Ca 0.00000000000000 0.22804828128204 0.62500000000000 40.078 > 97 100 Ca 0.00000000000000 0.72804828128204 0.62500000000000 40.078 > 97 101 Ca 0.00000000000000 0.27195171871796 0.37500000000000 40.078 > 101 102 Ca 0.00000000000000 0.77195171871796 0.37500000000000 40.078 > 101 103 Ca 0.00000000000000 0.27195171871796 0.87500000000000 40.078 > 101 104 Ca 0.00000000000000 0.77195171871796 0.87500000000000 40.078 > 101 105 Ca 0.50000000000000 0.47804828128204 0.12500000000000 40.078 > 97 106 Ca 0.50000000000000 0.97804828128204 0.12500000000000 40.078 > 97 107 Ca 0.50000000000000 0.47804828128204 0.62500000000000 40.078 > 97 108 Ca 0.50000000000000 0.97804828128204 0.62500000000000 40.078 > 97 109 Ca 0.50000000000000 0.02195171871796 0.37500000000000 40.078 > 101 110 Ca 0.50000000000000 0.52195171871796 0.37500000000000 40.078 > 101 111 Ca 0.50000000000000 0.02195171871796 0.87500000000000 40.078 > 101 112 Ca 0.50000000000000 0.52195171871796 0.87500000000000 40.078 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.0450793 0.0000000 -0.0047749 0.0000000 2.0365071 0.0000000 -0.0047747 0.0000000 2.0502511 -------------------------- Born effective charges -------------------------- 1 F -1.4796532 -0.0724544 -0.3473494 -0.0555381 -0.7577199 -0.0046552 -0.3454106 -0.0138137 -0.8992719 2 F -1.4796532 0.0724544 -0.3473494 0.0555381 -0.7577199 0.0046552 -0.3454106 0.0138137 -0.8992719 3 F -1.4796532 -0.0724544 -0.3473494 -0.0555381 -0.7577199 -0.0046552 -0.3454106 -0.0138137 -0.8992719 4 F -1.4796532 0.0724544 -0.3473494 0.0555381 -0.7577199 0.0046552 -0.3454106 0.0138137 -0.8992719 5 F -0.8337543 0.0000000 0.3403973 0.0000000 -0.9438808 0.0000000 0.3440256 0.0000000 -1.4139674 6 F -0.8337543 0.0000000 0.3403973 0.0000000 -0.9438808 0.0000000 0.3440256 0.0000000 -1.4139674 7 F -0.7716579 -0.0542654 0.1678964 -0.0436429 -1.3876896 0.0866378 0.1667048 0.0968040 -1.0443642 8 F -0.7716579 0.0542654 0.1678964 0.0436429 -1.3876896 -0.0866378 0.1667048 -0.0968040 -1.0443642 9 F -0.7716579 -0.0542654 0.1678964 -0.0436429 -1.3876896 0.0866378 0.1667048 0.0968040 -1.0443642 10 F -0.7716579 0.0542654 0.1678964 0.0436429 -1.3876896 -0.0866378 0.1667048 -0.0968040 -1.0443642 11 Al 2.9001038 0.0941126 -0.0012436 0.0716041 2.9491915 -0.1003686 -0.0127685 -0.0959031 2.9170256 12 Al 2.9001038 -0.0941126 -0.0012436 -0.0716041 2.9491915 0.1003686 -0.0127685 0.0959031 2.9170256 13 Ca 2.4362727 0.0000000 0.0197523 0.0000000 2.2855083 0.0000000 0.0261547 0.0000000 2.3842142 14 Ca 2.4362727 0.0000000 0.0197523 0.0000000 2.2855083 0.0000000 0.0261547 0.0000000 2.3842142 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 8 ] 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: 0.73, Number of G-points: 297, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/227) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.549 ( 0.000 0.000 0.000) 0.000 1.999 ( 0.000 0.000 0.000) 0.000 2.302 ( 0.000 0.000 0.000) 0.000 4.051 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.609 ( 0.000 0.000 0.000) 0.000 4.798 ( 0.000 0.000 0.000) 0.000 5.727 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 6.066 ( 0.000 0.000 0.000) 0.000 6.331 ( 0.000 0.000 0.000) 0.000 6.868 ( 0.000 0.000 0.000) 0.000 7.059 ( 0.000 0.000 0.000) 0.000 7.351 ( 0.000 0.000 0.000) 0.000 7.573 ( 0.000 0.000 0.000) 0.000 7.723 ( 0.000 0.000 0.000) 0.000 8.011 ( 0.000 0.000 0.000) 0.000 8.538 ( 0.000 0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 8.858 ( 0.000 0.000 0.000) 0.000 9.270 ( 0.000 0.000 0.000) 0.000 9.364 ( 0.000 0.000 0.000) 0.000 9.650 ( 0.000 0.000 0.000) 0.000 10.318 ( 0.000 0.000 0.000) 0.000 10.712 ( 0.000 0.000 0.000) 0.000 10.788 ( 0.000 0.000 0.000) 0.000 12.169 ( 0.000 0.000 0.000) 0.000 12.403 ( 0.000 0.000 0.000) 0.000 12.681 ( 0.000 0.000 0.000) 0.000 13.276 ( 0.000 0.000 0.000) 0.000 13.726 ( 0.000 0.000 0.000) 0.000 15.739 ( 0.000 0.000 0.000) 0.000 15.760 ( 0.000 0.000 0.000) 0.000 16.993 ( 0.000 0.000 0.000) 0.000 17.009 ( 0.000 0.000 0.000) 0.000 17.523 ( 0.000 0.000 0.000) 0.000 18.466 ( 0.000 0.000 0.000) 0.000 20.042 ( 0.000 0.000 0.000) 0.000 20.699 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/227) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 10.326 -39.447 1.205) 40.793 1.078 ( 17.130 -49.501 11.425) 53.612 1.310 ( 66.079 -23.208 28.333) 75.550 1.680 ( 7.817 -9.004 2.746) 12.236 2.003 ( 1.566 1.703 1.374) 2.691 2.359 ( 3.977 -5.900 -0.740) 7.153 4.061 ( 0.064 -1.821 -2.970) 3.484 4.450 ( -3.098 0.135 -0.563) 3.151 4.636 ( 2.656 0.829 1.342) 3.090 4.788 ( -9.873 -3.650 -6.166) 12.200 5.728 ( -15.998 2.235 -11.565) 19.867 5.787 ( -2.400 1.783 -2.188) 3.706 6.257 ( -1.192 8.231 0.108) 8.317 6.500 ( -31.545 -26.528 -14.022) 43.537 6.860 ( -0.406 1.542 -0.024) 1.595 7.042 ( -3.522 0.608 2.656) 4.452 7.426 ( 2.503 14.282 -4.156) 15.084 7.479 ( -15.163 -5.599 2.255) 16.320 8.047 ( 0.867 3.088 -0.519) 3.250 8.476 ( 2.704 2.928 -6.528) 7.648 8.682 ( -0.784 4.793 6.946) 8.475 8.892 ( -1.142 -3.092 2.080) 3.897 9.143 ( -19.334 14.501 31.416) 39.636 9.322 ( 33.197 1.594 -67.875) 75.575 9.483 ( -17.070 7.082 46.572) 50.104 9.711 ( 15.182 5.025 -4.969) 16.746 10.360 ( -1.513 -6.270 -0.220) 6.453 10.844 ( -1.011 -14.203 3.230) 14.601 10.922 ( 19.365 -0.616 2.772) 19.572 12.167 ( 0.493 1.447 -0.510) 1.611 12.380 ( -8.508 -4.904 -4.121) 10.650 12.608 ( 0.239 8.998 0.185) 9.003 13.266 ( -1.011 0.579 -0.588) 1.305 13.742 ( 5.157 1.148 -0.879) 5.356 15.746 ( 1.774 0.565 -3.534) 3.994 15.776 ( -0.090 0.338 7.886) 7.894 17.080 ( 0.165 -8.620 -0.350) 8.628 17.548 ( 0.840 -2.034 1.005) 2.419 18.227 ( -86.019 -76.731 -41.550) 122.529 18.455 ( -0.103 1.379 0.688) 1.544 20.642 ( -2.881 2.242 -1.730) 4.039 22.424 ( 79.397 73.898 37.526) 114.774 ======================= Grid point 2 (3/227) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 9.350 -35.943 1.615) 37.174 1.896 ( 4.132 -7.141 2.501) 8.621 1.948 ( 9.698 -12.137 1.971) 15.660 2.132 ( 8.898 -29.725 8.256) 32.108 2.481 ( 46.216 -9.863 17.442) 50.373 2.697 ( 26.397 -28.413 10.790) 40.256 4.068 ( -2.081 -2.050 -2.525) 3.861 4.400 ( -4.687 1.010 -5.000) 6.928 4.474 ( -23.634 0.403 -18.034) 29.731 4.745 ( -0.682 -2.273 0.572) 2.441 5.467 ( -10.405 1.156 -6.935) 12.557 5.693 ( -3.064 4.355 -3.220) 6.223 6.065 ( -2.678 12.303 0.508) 12.601 6.489 ( -16.620 -14.598 -7.985) 23.518 6.818 ( -1.398 2.457 -0.048) 2.827 6.987 ( -2.603 3.394 1.686) 4.598 7.143 ( -2.087 17.443 3.037) 17.828 7.423 ( -5.803 0.588 -0.614) 5.865 7.829 ( 0.491 21.814 0.531) 21.826 8.520 ( 1.948 -6.023 -6.564) 9.119 8.635 ( -1.399 4.941 8.702) 10.104 8.778 ( -10.568 17.082 -1.478) 20.141 8.910 ( -3.942 -0.847 1.687) 4.371 9.344 ( 12.635 -0.408 -18.353) 22.285 9.450 ( -8.398 1.236 20.077) 21.798 9.749 ( 9.632 6.963 2.166) 12.081 10.462 ( -2.348 -8.525 0.552) 8.860 11.120 ( 1.032 -17.851 0.609) 17.891 11.218 ( 24.372 -1.177 3.236) 24.614 12.115 ( -3.549 1.985 -3.494) 5.361 12.337 ( -9.723 -6.175 -5.765) 12.880 12.429 ( 0.058 12.906 1.377) 12.979 13.223 ( -2.741 1.588 -1.139) 3.366 13.812 ( 9.593 -0.274 -1.232) 9.676 15.720 ( 1.371 3.963 1.054) 4.323 15.825 ( 0.049 -0.821 7.188) 7.235 17.263 ( 0.446 -13.385 -0.379) 13.397 17.612 ( 1.274 -3.325 1.932) 4.051 18.233 ( -39.642 -35.714 -20.035) 56.995 18.432 ( 0.406 2.118 1.131) 2.435 20.536 ( -7.541 1.153 -4.198) 8.708 22.344 ( 33.317 35.335 15.532) 50.988 ======================= Grid point 3 (4/227) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -0.453 1.451 -0.995) 1.817 2.196 ( 8.571 -31.388 -0.101) 32.538 2.232 ( 7.863 -8.024 4.936) 12.271 2.680 ( 9.875 -15.918 4.612) 19.291 3.143 ( 18.183 -26.890 9.212) 33.743 3.714 ( 30.299 -23.332 14.500) 40.898 3.901 ( -28.861 -0.273 -22.230) 36.430 4.056 ( -3.019 0.276 -2.532) 3.950 4.352 ( -0.235 3.123 -5.657) 6.466 4.802 ( 3.097 -3.834 0.479) 4.952 5.390 ( -2.650 -1.557 -1.414) 3.383 5.552 ( -2.168 7.575 -1.235) 7.975 5.848 ( -3.797 9.710 0.623) 10.444 6.504 ( -8.291 -10.328 -5.656) 14.402 6.752 ( -1.930 3.170 -0.338) 3.727 6.831 ( -0.576 15.058 3.245) 15.415 6.967 ( -4.322 1.490 2.041) 5.006 7.307 ( -2.050 7.501 -1.711) 7.962 7.488 ( -1.167 19.584 2.579) 19.788 8.249 ( -11.226 23.553 -4.555) 26.486 8.584 ( -0.733 -1.128 -0.168) 1.356 8.699 ( 0.470 -4.646 0.072) 4.670 8.854 ( -5.007 1.388 0.323) 5.205 9.412 ( 7.610 -1.037 -8.207) 11.240 9.458 ( -2.902 -0.238 11.179) 11.553 9.750 ( 6.892 6.426 3.528) 10.061 10.564 ( -2.101 -6.875 0.516) 7.208 11.403 ( 0.188 -16.076 -0.580) 16.087 11.512 ( 20.691 -0.297 3.293) 20.953 11.993 ( -9.614 -0.314 -6.523) 11.622 12.194 ( -0.195 12.202 -1.409) 12.285 12.341 ( -4.767 -3.157 -0.842) 5.779 13.147 ( -3.562 2.099 -1.420) 4.372 13.951 ( 10.904 -2.631 -1.254) 11.287 15.665 ( 0.187 5.457 3.193) 6.325 15.870 ( -0.201 -0.560 5.348) 5.381 17.481 ( 0.746 -12.675 -0.694) 12.716 17.693 ( 0.841 -3.289 2.789) 4.393 18.232 ( -21.636 -19.148 -11.448) 31.077 18.416 ( 1.539 1.953 1.161) 2.744 20.403 ( -8.485 0.461 -4.680) 9.701 22.247 ( 16.146 20.032 7.403) 26.773 ======================= Grid point 4 (5/227) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -0.562 1.755 -0.907) 2.054 2.424 ( 4.169 -4.543 3.240) 6.965 2.745 ( 6.748 -24.069 -0.108) 24.997 2.981 ( 4.234 -8.369 4.457) 10.384 3.297 ( -27.265 1.779 -20.899) 34.399 3.712 ( 8.992 -16.371 7.566) 20.153 3.974 ( -4.639 3.632 2.871) 6.554 4.229 ( 1.196 3.834 -9.523) 10.335 4.481 ( 16.635 -8.608 5.784) 19.603 5.048 ( 14.090 -15.004 4.465) 21.062 5.361 ( -0.551 3.680 -2.673) 4.581 5.437 ( -0.728 3.231 3.920) 5.132 5.700 ( -3.441 3.959 0.736) 5.297 6.563 ( 3.524 -2.317 -6.813) 8.012 6.653 ( -8.728 0.952 9.703) 13.086 6.686 ( -0.078 2.488 -2.480) 3.513 6.922 ( -3.373 0.455 -0.984) 3.543 7.142 ( 1.598 10.625 -1.268) 10.819 7.240 ( -1.710 11.072 3.019) 11.603 7.722 ( -12.202 19.404 -5.861) 23.659 8.598 ( 1.249 -0.432 0.118) 1.327 8.755 ( -1.833 -0.563 -0.086) 1.920 8.787 ( -2.054 -0.843 -0.202) 2.229 9.439 ( 1.593 0.126 -1.416) 2.135 9.509 ( 1.607 -0.935 3.088) 3.605 9.750 ( 3.966 3.507 2.651) 5.921 10.631 ( -1.162 -3.592 0.232) 3.782 11.612 ( -0.154 -10.511 -1.121) 10.572 11.716 ( 10.955 0.009 1.885) 11.116 11.865 ( -8.074 -1.227 -4.461) 9.306 12.014 ( 0.472 9.372 -0.323) 9.390 12.339 ( -1.888 -1.626 -0.587) 2.560 13.074 ( -2.537 1.470 -1.042) 3.112 14.104 ( 7.581 -2.986 -0.984) 8.207 15.595 ( -0.766 4.402 2.851) 5.300 15.895 ( -0.241 -0.265 2.698) 2.722 17.650 ( 0.983 -7.646 -1.599) 7.873 17.755 ( -0.156 -1.852 3.117) 3.629 18.222 ( -10.027 -8.401 -5.388) 14.148 18.418 ( 1.798 1.072 0.748) 2.223 20.294 ( -5.644 0.046 -3.091) 6.435 22.170 ( 6.696 9.411 3.031) 11.941 ======================= Grid point 5 (6/227) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 0.000 -0.000 0.000) 0.000 2.495 ( 0.000 -0.000 0.000) 0.000 2.975 ( 0.000 -0.000 0.000) 0.000 3.087 ( -0.000 -0.000 0.000) 0.000 3.087 ( 0.000 0.000 -0.000) 0.000 3.899 ( 0.000 -0.000 -0.000) 0.000 3.913 ( -0.000 -0.000 0.000) 0.000 4.172 ( 0.000 -0.000 -0.000) 0.000 4.629 ( 0.000 -0.000 0.000) 0.000 5.286 ( 0.000 -0.000 0.000) 0.000 5.366 ( 0.000 -0.000 -0.000) 0.000 5.429 ( 0.000 -0.000 -0.000) 0.000 5.650 ( -0.000 -0.000 0.000) 0.000 6.543 ( 0.000 -0.000 0.000) 0.000 6.655 ( 0.000 -0.000 0.000) 0.000 6.722 ( 0.000 -0.000 0.000) 0.000 6.843 ( 0.000 -0.000 0.000) 0.000 7.054 ( 0.000 -0.000 0.000) 0.000 7.149 ( 0.000 -0.000 -0.000) 0.000 7.441 ( 0.000 -0.000 0.000) 0.000 8.615 ( 0.000 -0.000 0.000) 0.000 8.724 ( 0.000 -0.000 0.000) 0.000 8.799 ( 0.000 -0.000 0.000) 0.000 9.443 ( 0.000 -0.000 0.000) 0.000 9.536 ( 0.000 -0.000 0.000) 0.000 9.753 ( 0.000 -0.000 0.000) 0.000 10.653 ( 0.000 -0.000 0.000) 0.000 11.700 ( 0.000 -0.000 0.000) 0.000 11.771 ( 0.000 -0.000 0.000) 0.000 11.829 ( 0.000 -0.000 0.000) 0.000 11.930 ( 0.000 -0.000 0.000) 0.000 12.340 ( 0.000 -0.000 0.000) 0.000 13.043 ( 0.000 -0.000 0.000) 0.000 14.175 ( 0.000 -0.000 0.000) 0.000 15.560 ( 0.000 -0.000 -0.000) 0.000 15.903 ( 0.000 -0.000 0.000) 0.000 17.715 ( 0.000 -0.000 -0.000) 0.000 17.777 ( 0.000 -0.000 0.000) 0.000 18.216 ( 0.000 -0.000 0.000) 0.000 18.423 ( 0.000 -0.000 0.000) 0.000 20.251 ( 0.000 -0.000 0.000) 0.000 22.141 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/227) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 18.503 0.000 11.075) 21.565 0.608 ( 21.910 0.000 6.614) 22.887 1.762 ( 14.430 0.000 5.138) 15.317 2.065 ( 2.728 0.000 3.903) 4.762 2.323 ( 39.278 0.000 13.403) 41.502 2.365 ( 44.310 0.000 18.510) 48.021 4.026 ( 0.467 0.000 -6.577) 6.593 4.427 ( -3.861 -0.000 3.994) 5.555 4.472 ( -25.597 -0.000 -20.393) 32.727 4.711 ( 4.966 0.000 2.002) 5.355 5.486 ( -13.994 -0.000 -9.412) 16.865 5.748 ( -3.971 -0.000 -3.802) 5.498 5.841 ( -3.846 -0.000 -2.169) 4.415 6.319 ( -1.035 -0.000 0.553) 1.174 6.860 ( -1.570 -0.000 -0.036) 1.571 7.022 ( -4.456 -0.000 4.975) 6.679 7.353 ( -2.376 -0.000 4.242) 4.862 7.605 ( 0.213 0.000 0.232) 0.315 8.019 ( 1.449 0.000 -2.195) 2.630 8.540 ( 6.429 0.000 -13.526) 14.976 8.736 ( -6.597 -0.000 15.400) 16.754 8.862 ( -0.917 -0.000 2.361) 2.533 9.285 ( -1.932 -0.000 6.859) 7.126 9.287 ( -6.421 -0.000 0.999) 6.498 9.582 ( -9.105 -0.000 -22.182) 23.978 9.588 ( -4.691 -0.000 1.895) 5.059 10.323 ( -1.608 -0.000 4.134) 4.436 10.720 ( -0.645 -0.000 1.778) 1.891 11.216 ( 26.458 0.000 3.373) 26.672 12.195 ( -10.310 -0.000 -5.200) 11.548 12.205 ( 2.864 0.000 -0.124) 2.867 12.687 ( 0.186 0.000 0.875) 0.894 13.417 ( 9.100 0.000 3.848) 9.881 13.819 ( 8.175 0.000 -2.612) 8.582 15.741 ( 1.145 0.000 -2.286) 2.557 15.853 ( 2.186 0.000 11.280) 11.490 17.013 ( 1.565 0.000 0.337) 1.601 17.025 ( 0.180 0.000 -0.234) 0.296 17.554 ( 1.404 0.000 1.348) 1.946 18.473 ( 0.485 0.000 0.772) 0.911 20.560 ( -8.562 -0.000 -5.079) 9.955 23.464 ( -12.175 -0.000 -5.529) 13.372 ======================= Grid point 13 (8/227) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 16.681 -26.848 1.896) 31.665 1.354 ( 10.246 -52.314 8.317) 53.953 1.968 ( 10.593 2.106 2.648) 11.120 2.102 ( 5.220 -1.153 7.112) 8.897 2.476 ( 6.641 -10.703 -2.303) 12.804 3.382 ( 65.273 -2.287 29.469) 71.654 3.947 ( -30.245 1.634 -25.451) 39.562 4.014 ( -4.873 -1.872 -10.278) 11.528 4.407 ( -1.159 0.947 2.112) 2.588 4.772 ( 4.650 0.496 0.990) 4.780 5.343 ( -5.716 -0.925 -3.130) 6.583 5.664 ( -4.527 1.149 -4.399) 6.416 5.993 ( -7.458 -19.162 -3.372) 20.836 6.233 ( -1.302 9.301 1.032) 9.448 6.826 ( -2.538 1.145 -0.338) 2.805 6.990 ( -4.152 1.129 4.965) 6.570 7.363 ( -4.754 -0.517 7.026) 8.499 7.444 ( 1.990 15.916 -3.254) 16.366 8.064 ( 1.113 2.076 -1.377) 2.729 8.471 ( 4.595 4.810 -10.062) 12.062 8.698 ( -5.003 3.118 9.560) 11.232 8.855 ( -7.046 3.783 -1.579) 8.151 8.925 ( -14.494 16.077 3.735) 21.966 9.338 ( 10.602 -2.862 -22.671) 25.191 9.420 ( -15.646 -4.065 20.045) 25.751 9.683 ( -8.745 -13.382 -7.380) 17.608 10.350 ( -1.067 -3.135 3.841) 5.071 10.842 ( 0.833 -14.104 -2.516) 14.350 11.519 ( 23.107 0.227 1.359) 23.148 12.061 ( -3.794 3.343 -2.488) 5.636 12.247 ( 2.907 -0.858 -1.295) 3.295 12.624 ( 0.344 8.756 1.565) 8.901 13.420 ( 10.321 13.997 4.496) 17.963 13.904 ( 9.488 -0.365 -4.263) 10.408 15.750 ( 0.959 -0.577 -1.684) 2.022 15.922 ( 0.457 2.977 15.545) 15.835 17.081 ( 0.632 -8.717 -0.911) 8.787 17.319 ( -7.319 -28.006 -3.136) 29.116 17.606 ( 0.932 -4.287 1.151) 4.535 18.477 ( 1.391 1.271 0.573) 1.969 20.421 ( -9.151 0.419 -5.805) 10.845 23.038 ( -7.438 23.806 -3.678) 25.211 ======================= Grid point 14 (9/227) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 9.448 -26.848 3.438) 28.669 1.934 ( 2.030 -0.078 -2.356) 3.110 2.219 ( 9.057 -17.934 7.131) 21.319 2.397 ( 7.316 -28.765 6.868) 30.465 2.791 ( 4.687 -21.656 1.765) 22.227 3.424 ( -18.194 2.824 -26.061) 31.909 3.984 ( 0.696 -1.281 -3.823) 4.091 4.200 ( 37.274 -2.745 17.831) 41.410 4.390 ( 2.629 1.879 -0.779) 3.324 4.825 ( 6.255 -0.169 0.957) 6.330 5.325 ( -1.954 -2.348 -0.069) 3.055 5.574 ( -2.996 1.855 -2.904) 4.566 6.030 ( -1.467 13.926 1.637) 14.098 6.180 ( -4.991 -15.558 -2.221) 16.489 6.764 ( -3.538 1.639 -1.143) 4.063 6.947 ( -3.262 1.981 4.410) 5.832 7.141 ( -1.755 18.979 3.723) 19.420 7.361 ( 0.022 2.148 -1.129) 2.427 7.840 ( -0.584 22.617 0.832) 22.640 8.312 ( -23.635 15.860 -12.501) 31.087 8.502 ( 0.213 -6.261 -2.452) 6.727 8.675 ( -1.546 0.402 4.663) 4.929 8.835 ( -3.802 1.937 2.274) 4.835 9.399 ( 1.167 -5.704 -7.008) 9.111 9.435 ( -3.714 -1.777 6.653) 7.824 9.715 ( -10.541 -9.000 -4.775) 14.660 10.429 ( -1.000 -5.566 2.771) 6.297 11.108 ( 0.436 -18.836 -2.657) 19.028 11.735 ( 14.985 0.617 -1.421) 15.064 11.981 ( 5.493 7.444 1.386) 9.354 12.279 ( 4.150 0.864 -3.275) 5.356 12.461 ( 0.029 12.432 3.874) 13.022 13.309 ( 7.879 14.946 3.839) 17.326 14.002 ( 8.200 -2.250 -5.682) 10.226 15.750 ( 0.878 1.786 -0.384) 2.027 15.932 ( -2.311 4.072 14.220) 14.971 17.270 ( 0.722 -13.585 -0.716) 13.623 17.581 ( -4.445 -13.741 0.364) 14.447 17.745 ( -2.305 -14.885 -1.458) 15.133 18.471 ( 1.763 1.862 -0.153) 2.569 20.298 ( -5.770 0.182 -4.323) 7.213 22.600 ( -8.829 16.643 -4.470) 19.363 ======================= Grid point 15 (10/227) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -0.833 3.718 2.131) 4.365 2.392 ( 7.162 -26.878 0.630) 27.823 2.425 ( 3.480 -6.080 6.685) 9.683 2.849 ( 1.769 -12.952 4.146) 13.715 3.141 ( 11.584 -1.815 -12.190) 16.914 3.459 ( 7.379 -28.630 3.497) 29.771 3.969 ( -1.935 0.679 -0.059) 2.051 4.299 ( 2.624 5.709 -5.423) 8.300 4.577 ( 8.581 -0.780 2.071) 8.862 4.992 ( 6.045 -8.091 3.147) 10.578 5.347 ( -0.078 -1.838 -0.590) 1.932 5.517 ( 0.602 2.709 0.137) 2.778 5.806 ( -1.871 12.274 2.971) 12.766 6.360 ( -1.453 -12.467 -0.870) 12.581 6.683 ( -5.013 1.009 -2.403) 5.650 6.847 ( -1.115 16.132 2.708) 16.395 6.912 ( -2.183 2.077 3.004) 4.255 7.290 ( 0.953 6.602 -1.117) 6.763 7.469 ( -3.112 19.710 0.836) 19.971 7.758 ( -19.389 12.833 -8.143) 24.636 8.587 ( 0.933 -3.473 -0.844) 3.694 8.703 ( -0.869 -3.064 0.602) 3.242 8.775 ( -2.157 1.806 1.519) 3.198 9.436 ( -8.883 -4.429 6.856) 12.064 9.462 ( 4.270 -1.788 -9.672) 10.722 9.689 ( -9.679 -5.423 -2.687) 11.415 10.520 ( -0.908 -5.541 1.280) 5.759 11.387 ( 0.272 -16.566 -1.852) 16.671 11.818 ( 4.344 1.156 -4.415) 6.300 11.965 ( 12.597 9.613 3.597) 16.249 12.208 ( 3.336 12.698 -0.197) 13.130 12.376 ( 3.903 2.494 4.165) 6.228 13.196 ( 6.214 11.172 3.460) 13.244 14.089 ( 3.706 -3.732 -6.842) 8.630 15.698 ( -0.746 5.777 3.528) 6.811 15.912 ( -2.516 1.560 6.932) 7.537 17.489 ( 0.966 -12.554 -1.075) 12.637 17.695 ( -2.142 -5.453 2.781) 6.486 17.973 ( 0.258 -15.006 -0.263) 15.010 18.453 ( 0.391 1.689 -1.103) 2.055 20.250 ( 0.507 -0.031 -1.117) 1.227 22.257 ( -13.071 7.260 -6.451) 16.284 ======================= Grid point 16 (11/227) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 0.262 1.964 2.099) 2.886 2.499 ( 0.384 0.116 3.898) 3.919 2.876 ( 4.080 -19.167 0.330) 19.599 3.011 ( -3.006 -5.034 1.996) 6.194 3.339 ( 35.677 4.030 3.384) 36.063 3.886 ( 0.044 -7.864 8.004) 11.221 3.907 ( -2.431 3.169 -0.537) 4.030 4.235 ( 7.587 3.561 -6.405) 10.549 4.584 ( -6.972 0.029 -3.810) 7.946 5.120 ( -11.133 -11.932 -2.945) 16.583 5.360 ( 0.490 1.434 -3.508) 3.821 5.471 ( -0.951 5.182 4.344) 6.828 5.678 ( 0.972 3.083 0.832) 3.338 6.522 ( -3.583 -13.662 -0.169) 14.125 6.589 ( -2.921 4.271 -3.448) 6.218 6.652 ( -1.786 4.480 0.673) 4.870 6.891 ( 0.248 1.806 2.153) 2.821 7.180 ( 2.673 8.579 -1.779) 9.160 7.214 ( -1.550 8.733 1.629) 9.018 7.452 ( -3.718 4.514 0.570) 5.875 8.614 ( -0.179 0.215 -0.625) 0.684 8.728 ( 0.639 -1.350 -0.045) 1.494 8.780 ( 0.277 -1.842 1.295) 2.269 9.424 ( -10.858 -4.432 4.577) 12.589 9.463 ( 1.897 -0.767 -9.833) 10.044 9.650 ( -6.862 -3.095 -1.268) 7.634 10.593 ( -0.384 -4.005 0.124) 4.026 11.603 ( 0.285 -10.934 -1.229) 11.007 11.747 ( -7.301 1.580 -7.205) 10.379 11.978 ( 8.837 6.753 -2.534) 11.407 12.061 ( 3.955 11.188 8.871) 14.815 12.446 ( 12.660 4.680 5.739) 14.667 13.150 ( 7.105 6.677 3.941) 10.516 14.109 ( -3.346 -2.587 -6.864) 8.063 15.612 ( -1.120 5.192 4.099) 6.709 15.900 ( -1.305 0.126 1.358) 1.887 17.654 ( 1.065 -7.288 -2.123) 7.665 17.742 ( -3.141 -2.531 2.580) 4.789 18.225 ( 9.502 -8.476 4.904) 13.645 18.416 ( -1.437 0.960 -1.870) 2.547 20.294 ( 6.227 0.059 2.046) 6.555 21.995 ( -18.077 -1.727 -8.720) 20.144 ======================= Grid point 17 (12/227) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 1.379 0.101 2.615) 2.958 2.451 ( -2.238 5.369 -1.339) 5.969 2.922 ( -10.356 5.533 -2.873) 12.088 2.988 ( -3.865 6.125 -1.283) 7.355 3.665 ( -23.704 12.180 -11.859) 29.170 3.875 ( 38.805 0.831 17.664) 42.644 3.908 ( 4.203 -5.502 2.680) 7.424 4.275 ( 6.574 0.936 1.965) 6.925 4.420 ( -9.338 5.889 -3.347) 11.536 5.060 ( -10.028 4.573 -2.552) 11.313 5.299 ( 1.130 -1.183 -0.468) 1.702 5.435 ( -0.214 1.154 1.603) 1.987 5.711 ( 4.703 -1.273 0.158) 4.875 6.492 ( -3.079 0.052 0.444) 3.112 6.626 ( -0.590 -1.752 -1.381) 2.307 6.790 ( 3.847 -14.198 -0.162) 14.711 6.896 ( 3.399 -3.371 2.356) 5.336 7.083 ( 2.963 8.998 1.671) 9.619 7.133 ( -0.283 -1.711 -1.297) 2.166 7.545 ( 2.205 -13.301 2.303) 13.678 8.590 ( -1.069 0.667 -0.445) 1.336 8.772 ( 1.519 -1.178 -0.437) 1.972 8.821 ( 2.990 -0.754 1.638) 3.491 9.376 ( -12.216 -4.915 -0.067) 13.168 9.443 ( 1.409 0.395 -5.466) 5.659 9.612 ( -5.291 -1.866 -1.879) 5.916 10.636 ( 0.239 -1.575 -0.382) 1.638 11.527 ( -18.304 1.219 -8.751) 20.324 11.713 ( 0.827 -0.808 -0.468) 1.247 11.930 ( 0.937 0.450 -1.522) 1.843 12.056 ( 5.218 4.072 5.700) 8.735 12.561 ( 18.393 9.005 8.567) 22.199 13.185 ( 9.051 3.820 4.603) 10.849 14.016 ( -9.589 0.405 -5.300) 10.964 15.572 ( 0.249 1.049 1.600) 1.930 15.888 ( -0.657 0.211 -1.221) 1.403 17.710 ( -0.129 0.148 -1.017) 1.036 17.734 ( -3.128 -0.439 -0.207) 3.166 18.375 ( -2.416 -0.092 -0.354) 2.444 18.523 ( 22.430 -0.744 9.803) 24.490 20.398 ( 8.634 0.102 3.653) 9.375 21.791 ( -24.567 -9.695 -11.653) 28.867 ======================= Grid point 18 (13/227) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 1.836 -1.068 2.779) 3.498 2.260 ( -8.462 10.099 -6.151) 14.541 2.575 ( -10.273 21.742 0.719) 24.057 2.685 ( -15.402 13.209 -10.855) 23.012 2.894 ( -40.913 16.083 -15.769) 46.704 3.998 ( -1.249 25.538 -10.193) 27.526 4.044 ( -3.204 -0.631 6.735) 7.485 4.366 ( 6.353 -0.229 5.591) 8.466 4.488 ( 33.458 2.080 19.365) 38.714 4.877 ( 1.429 7.386 1.905) 7.761 5.412 ( 1.349 -9.061 0.555) 9.178 5.439 ( 1.839 -1.214 0.798) 2.344 5.812 ( 5.487 -3.514 1.227) 6.630 6.533 ( -2.031 -8.498 0.604) 8.758 6.671 ( -0.466 -5.069 0.293) 5.099 6.883 ( 11.606 6.073 1.161) 13.150 7.017 ( 2.507 2.747 0.402) 3.741 7.184 ( 3.279 -13.471 5.384) 14.873 7.255 ( 4.613 -12.215 -3.397) 13.492 7.879 ( -2.835 -27.709 -1.102) 27.876 8.582 ( 0.026 -0.998 0.013) 0.998 8.763 ( -0.290 2.838 0.056) 2.854 8.901 ( 5.977 -0.987 1.004) 6.141 9.304 ( -11.551 -3.529 -0.692) 12.098 9.425 ( 1.019 0.090 -4.656) 4.767 9.575 ( -4.488 -2.291 -2.206) 5.501 10.639 ( 0.645 1.718 -0.481) 1.897 11.216 ( -23.488 0.749 -8.499) 24.990 11.636 ( 0.624 10.378 0.572) 10.413 12.010 ( -0.762 -9.014 1.488) 9.168 12.084 ( 2.457 0.011 0.351) 2.482 12.648 ( 16.357 11.345 7.876) 21.408 13.270 ( 10.059 2.959 4.607) 11.453 13.850 ( -11.146 1.556 -3.069) 11.665 15.592 ( 0.468 -2.191 -0.499) 2.295 15.864 ( -0.383 0.858 -2.224) 2.414 17.638 ( -1.344 7.461 1.348) 7.700 17.689 ( -2.030 1.120 -3.255) 3.997 18.362 ( -1.394 -1.504 -0.533) 2.119 18.881 ( 37.137 7.601 17.658) 41.818 20.511 ( 6.986 -0.237 3.136) 7.661 21.589 ( -34.373 -15.922 -16.125) 41.171 ======================= Grid point 19 (14/227) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -51.561 15.114 -23.625) 58.695 1.864 ( 0.548 8.436 0.635) 8.478 2.070 ( -4.409 25.701 -1.150) 26.102 2.155 ( -4.948 18.018 -1.822) 18.774 2.431 ( -9.630 10.561 -3.214) 14.649 3.264 ( -3.332 50.372 -1.521) 50.505 4.109 ( 1.154 -0.910 -0.022) 1.469 4.452 ( 3.079 -0.174 4.441) 5.406 4.653 ( 0.570 2.988 0.847) 3.158 4.935 ( 11.463 5.656 6.408) 14.298 5.562 ( 7.092 -7.374 4.483) 11.170 5.609 ( 2.483 -9.492 2.511) 10.128 5.956 ( 4.285 -6.642 1.000) 7.967 6.692 ( 2.143 -8.492 0.508) 8.773 6.787 ( -1.112 -11.325 1.536) 11.482 6.890 ( 4.593 4.900 1.810) 6.956 7.072 ( 6.255 -1.607 -1.195) 6.568 7.465 ( 7.138 -10.261 4.478) 13.277 7.491 ( 2.479 -14.791 -1.826) 15.108 8.288 ( -5.526 -28.407 -3.373) 29.135 8.641 ( 4.444 -3.832 -3.356) 6.760 8.687 ( -2.584 3.621 3.707) 5.790 8.971 ( 4.810 1.266 -0.177) 4.977 9.224 ( -10.583 -2.771 1.718) 11.074 9.415 ( 1.748 -0.336 -6.070) 6.325 9.566 ( -3.172 -3.092 -0.712) 4.486 10.588 ( 0.522 5.250 -0.423) 5.293 10.919 ( -18.002 0.349 -5.153) 18.728 11.427 ( 0.202 16.646 0.640) 16.660 12.108 ( -0.451 -1.613 2.371) 2.903 12.196 ( 0.456 -13.411 -1.718) 13.528 12.648 ( 8.858 11.180 4.317) 14.903 13.349 ( 8.065 3.729 3.303) 9.480 13.713 ( -7.564 -0.187 -1.024) 7.635 15.636 ( -0.187 -3.567 -0.994) 3.708 15.829 ( -0.149 1.670 -1.839) 2.489 17.470 ( -0.477 12.395 0.277) 12.408 17.627 ( -1.532 2.189 -1.516) 3.072 18.383 ( -0.364 -2.495 -0.324) 2.543 19.359 ( 56.862 13.305 27.250) 64.443 20.569 ( -3.060 -1.490 -1.715) 3.811 21.295 ( -46.485 -17.408 -21.674) 54.163 ======================= Grid point 20 (15/227) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 0.000 24.181 0.000) 24.181 1.360 ( 0.000 40.034 0.000) 40.034 1.843 ( 0.000 16.670 0.000) 16.670 1.970 ( -0.000 -1.016 -0.000) 1.016 2.050 ( 0.000 42.890 0.000) 42.890 2.521 ( 0.000 26.423 0.000) 26.423 4.104 ( 0.000 2.005 0.000) 2.005 4.483 ( 0.000 0.403 0.000) 0.403 4.611 ( 0.000 1.017 0.000) 1.017 4.920 ( 0.000 4.942 0.000) 4.942 5.747 ( -0.000 -5.819 -0.000) 5.819 5.776 ( -0.000 -7.695 -0.000) 7.695 6.118 ( -0.000 -9.681 -0.000) 9.681 6.804 ( -0.000 -4.031 -0.000) 4.031 6.852 ( 0.000 3.499 0.000) 3.499 7.008 ( -0.000 -9.594 -0.000) 9.594 7.172 ( -0.000 -10.316 -0.000) 10.316 7.627 ( -0.000 -4.502 -0.000) 4.502 7.823 ( -0.000 -20.971 -0.000) 20.971 8.538 ( -0.000 -10.010 -0.000) 10.010 8.546 ( 0.000 8.320 0.000) 8.320 8.908 ( -0.000 -20.146 -0.000) 20.146 8.953 ( 0.000 3.173 0.000) 3.173 9.198 ( -0.000 -2.359 -0.000) 2.359 9.407 ( 0.000 0.379 0.000) 0.379 9.591 ( -0.000 -2.753 -0.000) 2.753 10.487 ( 0.000 7.436 0.000) 7.436 10.788 ( 0.000 0.155 0.000) 0.155 11.135 ( 0.000 19.624 0.000) 19.624 12.140 ( -0.000 -1.908 -0.000) 1.908 12.417 ( -0.000 -13.899 -0.000) 13.899 12.549 ( 0.000 8.729 0.000) 8.729 13.347 ( 0.000 3.909 0.000) 3.909 13.686 ( -0.000 -1.785 -0.000) 1.785 15.691 ( -0.000 -3.866 -0.000) 3.866 15.791 ( 0.000 2.272 0.000) 2.272 17.259 ( 0.000 13.140 0.000) 13.140 17.576 ( 0.000 2.545 0.000) 2.545 18.421 ( -0.000 -2.455 -0.000) 2.455 20.088 ( 0.000 2.864 0.000) 2.864 20.249 ( -0.000 -0.445 -0.000) 0.445 21.008 ( -0.000 -5.133 -0.000) 5.133 ======================= Grid point 23 (16/227) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 17.987 0.000 9.238) 20.220 1.118 ( 16.836 0.000 4.339) 17.386 2.104 ( -4.655 -0.000 8.308) 9.523 2.241 ( 17.203 0.000 8.223) 19.067 2.412 ( 5.232 0.000 -6.552) 8.385 3.476 ( -18.815 -0.000 -28.477) 34.131 3.957 ( 1.737 0.000 -6.983) 7.195 4.189 ( 46.655 0.000 23.209) 52.110 4.423 ( -0.634 -0.000 3.775) 3.828 4.859 ( 9.190 0.000 0.333) 9.196 5.281 ( -2.290 -0.000 -0.413) 2.327 5.598 ( -4.070 -0.000 -3.689) 5.493 5.790 ( -0.902 -0.000 -0.598) 1.082 6.303 ( -1.065 -0.000 0.984) 1.450 6.788 ( -4.953 -0.000 -1.397) 5.147 6.985 ( -3.417 -0.000 5.977) 6.885 7.347 ( -1.973 -0.000 4.923) 5.303 7.607 ( -0.385 -0.000 0.197) 0.432 8.019 ( 0.876 0.000 -3.012) 3.137 8.544 ( 9.423 0.000 -19.692) 21.831 8.717 ( -32.096 -0.000 -16.365) 36.027 8.743 ( -9.816 -0.000 20.704) 22.913 8.922 ( -10.654 -0.000 0.985) 10.699 9.113 ( -9.457 -0.000 1.331) 9.550 9.324 ( 3.175 0.000 -3.049) 4.402 9.510 ( -3.874 -0.000 2.512) 4.617 10.333 ( -1.937 -0.000 5.756) 6.073 10.721 ( 2.906 0.000 -6.624) 7.233 11.745 ( 16.009 0.000 -2.835) 16.258 12.136 ( 9.953 0.000 4.135) 10.777 12.272 ( 3.358 0.000 -2.039) 3.929 12.708 ( -0.007 -0.000 2.368) 2.368 13.746 ( 14.628 0.000 6.491) 16.004 13.966 ( 7.527 0.000 -7.178) 10.401 15.744 ( 0.676 0.000 -1.239) 1.412 16.032 ( -2.519 -0.000 18.180) 18.354 17.028 ( 0.468 0.000 -0.715) 0.855 17.068 ( 2.486 0.000 0.835) 2.622 17.583 ( -0.323 -0.000 0.845) 0.905 18.506 ( 1.639 0.000 -0.314) 1.669 20.301 ( -6.065 -0.000 -4.934) 7.819 22.957 ( -23.829 -0.000 -11.499) 26.458 ======================= Grid point 24 (17/227) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 12.100 -20.289 2.371) 23.742 1.706 ( 12.951 -38.269 6.477) 40.917 2.049 ( -3.968 0.621 10.058) 10.830 2.383 ( 6.633 1.139 2.874) 7.318 2.624 ( 10.895 -12.259 1.175) 16.443 3.289 ( 11.001 1.335 -18.297) 21.391 3.949 ( 1.694 -0.994 -5.588) 5.923 4.420 ( -0.507 1.888 3.312) 3.846 4.613 ( 14.154 1.847 7.004) 15.900 4.993 ( 15.631 4.760 4.343) 16.907 5.279 ( -0.781 -1.556 0.977) 1.997 5.548 ( -0.809 0.233 -2.603) 2.736 5.905 ( 0.153 -13.600 -0.701) 13.618 6.221 ( -0.935 9.078 1.840) 9.310 6.693 ( -9.304 0.046 -3.787) 10.045 6.974 ( -2.325 1.554 6.465) 7.044 7.356 ( -3.351 1.555 8.750) 9.497 7.445 ( 1.976 14.544 -4.978) 15.499 8.048 ( -15.175 5.805 -4.372) 16.825 8.080 ( -21.557 3.364 -15.877) 26.984 8.480 ( 5.895 6.106 -11.682) 14.439 8.696 ( -7.491 2.462 13.707) 15.813 8.852 ( -3.405 3.047 3.814) 5.952 9.107 ( -11.153 -11.156 -3.410) 16.139 9.399 ( 2.161 -4.442 -1.735) 5.236 9.512 ( -3.930 -3.349 2.818) 5.882 10.377 ( -1.004 -3.527 5.363) 6.497 10.831 ( 2.245 -13.504 -6.257) 15.052 11.844 ( 6.151 0.454 -7.599) 9.787 12.253 ( 10.117 5.609 1.527) 11.668 12.360 ( 15.579 0.126 5.203) 16.426 12.650 ( -0.699 8.322 3.223) 8.951 13.774 ( 14.259 19.489 5.977) 24.877 14.016 ( 5.770 -0.983 -7.571) 9.570 15.753 ( 0.695 -0.818 -1.261) 1.656 16.043 ( -6.656 3.816 16.952) 18.607 17.093 ( 0.985 -8.505 -0.736) 8.594 17.268 ( 1.330 -17.984 1.098) 18.066 17.609 ( -1.356 -4.026 0.441) 4.271 18.506 ( 0.553 1.139 -1.450) 1.925 20.249 ( 0.652 -0.025 -1.874) 1.984 22.526 ( -26.316 6.863 -12.743) 30.034 ======================= Grid point 25 (18/227) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -1.849 -0.545 7.359) 7.607 2.039 ( 8.289 -23.120 -1.864) 24.632 2.472 ( 3.194 -2.481 4.895) 6.350 2.602 ( 10.240 -30.349 5.349) 32.473 3.008 ( 8.592 -25.946 4.302) 27.668 3.473 ( 35.783 2.963 -3.259) 36.054 3.958 ( 0.797 -0.499 -2.598) 2.763 4.384 ( 1.260 3.870 -0.529) 4.104 4.652 ( -0.665 3.088 -0.522) 3.202 4.973 ( -8.002 5.253 -2.423) 9.874 5.313 ( 0.237 -2.249 0.666) 2.358 5.549 ( 2.987 0.105 -1.541) 3.362 6.022 ( -0.359 11.668 0.308) 11.678 6.142 ( -3.126 -11.016 0.739) 11.475 6.556 ( -9.696 -2.124 -4.873) 11.058 6.954 ( -1.222 2.548 6.532) 7.117 7.130 ( -2.478 18.754 2.587) 19.093 7.362 ( -0.074 3.452 -2.164) 4.075 7.563 ( -16.793 4.272 -6.876) 18.642 7.845 ( -1.658 20.693 -0.749) 20.773 8.497 ( 1.550 -6.381 -2.779) 7.131 8.675 ( -2.429 -0.235 3.942) 4.637 8.792 ( -2.136 1.764 1.678) 3.239 9.133 ( -12.227 -10.967 -3.376) 16.768 9.453 ( 1.628 -1.757 -4.304) 4.926 9.543 ( -3.448 -3.171 3.920) 6.109 10.462 ( 0.213 -4.323 3.862) 5.800 11.092 ( 1.163 -18.913 -3.636) 19.294 11.784 ( -5.561 0.788 -11.927) 13.183 12.252 ( 8.105 7.136 -2.621) 11.112 12.486 ( -1.163 12.549 5.182) 13.626 12.608 ( 25.489 5.582 11.045) 28.334 13.604 ( 11.559 22.365 5.714) 25.816 14.031 ( 1.695 -0.777 -8.501) 8.703 15.758 ( 0.207 1.045 -0.160) 1.077 15.961 ( -7.401 4.606 11.389) 14.342 17.283 ( 0.468 -13.445 0.043) 13.453 17.597 ( 3.717 -10.189 3.508) 11.399 17.714 ( 0.044 -17.202 -0.129) 17.203 18.468 ( -1.094 1.860 -1.921) 2.889 20.296 ( 7.016 0.020 1.464) 7.167 22.050 ( -27.877 4.259 -13.466) 31.250 ======================= Grid point 26 (19/227) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -0.239 3.118 3.898) 4.997 2.498 ( 2.328 -12.736 -1.441) 13.027 2.587 ( 2.801 -14.941 2.512) 15.408 2.895 ( 0.048 -4.158 -0.678) 4.213 3.664 ( 3.977 -28.647 5.744) 29.487 3.928 ( -1.726 2.659 -1.174) 3.381 3.958 ( 47.600 2.456 12.267) 49.217 4.318 ( -12.189 2.902 -7.679) 14.695 4.401 ( -10.947 4.553 -8.952) 14.857 4.824 ( -6.600 -5.493 -2.327) 8.896 5.354 ( 1.389 -1.329 -0.841) 2.099 5.574 ( 2.994 2.652 1.319) 4.211 5.810 ( -0.574 12.171 2.909) 12.527 6.232 ( -7.332 -12.249 -4.010) 14.828 6.538 ( -1.520 -2.705 -0.725) 3.186 6.825 ( -1.863 16.260 -0.147) 16.367 6.943 ( 0.048 1.915 5.928) 6.230 7.283 ( -0.147 1.998 -0.619) 2.097 7.386 ( 0.686 12.042 -0.771) 12.086 7.532 ( -2.746 11.063 2.058) 11.583 8.599 ( 0.884 -3.538 -0.797) 3.733 8.674 ( -1.444 -2.229 -0.115) 2.658 8.785 ( 0.636 -1.025 1.659) 2.051 9.138 ( -11.401 -9.022 -2.755) 14.797 9.458 ( 0.618 -0.367 -3.817) 3.884 9.561 ( -3.195 -1.482 2.506) 4.322 10.550 ( 1.063 -3.523 2.210) 4.293 11.376 ( 0.112 -16.405 -2.142) 16.544 11.577 ( -15.110 0.605 -13.771) 20.453 12.164 ( 4.829 10.708 -4.801) 12.690 12.319 ( 0.135 11.187 6.906) 13.147 12.855 ( 26.092 9.169 11.583) 29.983 13.449 ( 9.661 15.222 5.751) 18.925 13.986 ( -3.818 -0.857 -8.855) 9.681 15.707 ( -1.691 5.174 3.861) 6.673 15.891 ( -3.498 0.716 2.650) 4.447 17.495 ( -0.181 -12.266 -0.070) 12.267 17.678 ( -1.790 -2.699 1.013) 3.394 18.173 ( 15.284 -21.181 6.951) 27.029 18.410 ( -1.742 1.950 -1.584) 3.057 20.406 ( 9.547 0.325 3.220) 10.081 21.617 ( -30.433 -1.275 -14.601) 33.779 ======================= Grid point 27 (20/227) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 1.134 1.303 3.867) 4.236 2.503 ( -0.972 3.343 -3.666) 5.055 2.800 ( -14.691 3.895 -6.173) 16.405 2.925 ( 0.161 -13.035 0.354) 13.041 3.421 ( -37.536 15.207 -15.127) 43.232 3.848 ( -2.158 1.212 0.479) 2.521 4.240 ( 3.583 -11.032 2.785) 11.929 4.390 ( 8.826 1.837 1.273) 9.105 4.626 ( 36.871 1.830 11.075) 38.542 4.925 ( 0.141 -11.355 0.588) 11.371 5.350 ( 0.915 3.382 -1.219) 3.709 5.501 ( 0.058 7.181 3.966) 8.204 5.757 ( 4.403 0.241 0.765) 4.475 6.422 ( -2.277 -22.138 -1.616) 22.313 6.514 ( -1.998 4.104 -0.309) 4.575 6.618 ( -1.410 4.887 -0.658) 5.129 6.973 ( 3.497 -0.008 4.879) 6.003 7.182 ( 0.139 9.844 -0.777) 9.876 7.273 ( 3.220 3.993 1.200) 5.268 7.449 ( -0.790 0.524 1.751) 1.991 8.595 ( -0.520 1.485 -0.485) 1.647 8.733 ( -0.052 -4.347 -0.587) 4.387 8.848 ( 3.493 -2.622 1.330) 4.565 9.132 ( -9.231 -6.751 -1.765) 11.572 9.443 ( -0.006 0.333 -2.719) 2.739 9.544 ( -3.256 -0.210 0.784) 3.356 10.617 ( 1.177 -2.127 0.871) 2.582 11.252 ( -21.307 1.161 -13.197) 25.090 11.613 ( 0.678 -10.849 -1.008) 10.917 12.017 ( 1.222 8.616 -1.917) 8.910 12.201 ( 1.089 8.137 3.524) 8.934 13.019 ( 20.302 11.419 9.288) 25.077 13.411 ( 9.052 7.417 5.532) 12.944 13.876 ( -8.009 0.313 -7.532) 10.999 15.631 ( -0.826 4.293 3.499) 5.599 15.870 ( -1.189 -0.399 -0.860) 1.520 17.646 ( -0.134 -6.956 -1.134) 7.050 17.684 ( -2.974 -1.223 0.708) 3.293 18.358 ( -1.399 1.271 -0.770) 2.041 18.771 ( 28.652 -15.095 13.350) 35.029 20.520 ( 7.962 0.633 2.964) 8.519 21.228 ( -34.309 -6.662 -16.289) 38.559 ======================= Grid point 28 (21/227) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -0.595 0.650 2.145) 2.318 2.166 ( -29.234 16.277 -14.806) 36.589 2.509 ( -5.417 2.790 -4.058) 7.321 2.818 ( -12.973 16.668 -3.897) 21.478 2.906 ( -2.139 13.070 -0.158) 13.245 3.912 ( 0.515 -9.098 -0.541) 9.129 4.299 ( 0.253 9.102 1.653) 9.254 4.459 ( 5.190 1.272 1.411) 5.527 4.825 ( 3.102 5.037 2.797) 6.544 5.128 ( 15.378 4.059 5.852) 16.947 5.343 ( 3.715 -2.160 1.910) 4.703 5.446 ( 0.006 1.634 0.848) 1.841 5.833 ( 4.090 -2.235 0.932) 4.753 6.435 ( -1.511 0.013 -0.406) 1.565 6.600 ( -0.801 -2.624 -0.037) 2.744 6.852 ( 1.237 -28.638 -0.104) 28.665 7.057 ( 6.235 1.895 2.608) 7.019 7.120 ( 0.408 -3.302 0.162) 3.331 7.248 ( 7.972 4.398 3.645) 9.807 7.480 ( -6.877 -9.010 -2.528) 11.613 8.571 ( -0.296 0.256 -0.143) 0.416 8.775 ( -0.060 -1.042 -0.224) 1.068 8.953 ( 5.847 -2.729 1.063) 6.539 9.116 ( -7.782 -4.260 -1.224) 8.956 9.423 ( -0.097 0.527 -1.733) 1.814 9.513 ( -2.234 -0.227 -0.281) 2.263 10.652 ( 0.617 -0.499 0.066) 0.796 10.941 ( -16.831 1.113 -8.085) 18.705 11.725 ( 0.448 -1.430 -0.238) 1.517 11.932 ( 0.165 0.857 -0.256) 0.910 12.128 ( 0.390 3.730 1.099) 3.908 13.043 ( 10.734 13.058 5.073) 17.648 13.458 ( 8.316 3.545 4.525) 10.109 13.730 ( -8.650 1.002 -4.931) 10.007 15.595 ( 0.158 1.456 1.227) 1.911 15.859 ( -0.421 0.135 -1.054) 1.143 17.663 ( -1.897 0.129 -0.438) 1.951 17.693 ( -0.358 0.244 -0.371) 0.570 18.334 ( -0.593 -0.165 -0.335) 0.701 19.443 ( 40.328 -8.518 19.253) 45.492 20.560 ( -4.358 0.925 -2.839) 5.283 20.872 ( -31.891 -9.638 -14.748) 36.434 ======================= Grid point 29 (22/227) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.000 21.464 0.000) 21.464 1.902 ( 0.000 0.368 0.000) 0.368 2.426 ( 0.000 21.317 0.000) 21.317 2.447 ( 0.000 3.776 0.000) 3.776 2.553 ( 0.000 26.842 0.000) 26.842 3.946 ( 0.000 35.104 0.000) 35.104 4.054 ( -0.000 -6.831 -0.000) 6.831 4.485 ( 0.000 0.041 0.000) 0.041 4.730 ( 0.000 6.627 0.000) 6.627 5.134 ( 0.000 7.608 0.000) 7.608 5.437 ( -0.000 -7.140 -0.000) 7.140 5.527 ( -0.000 -8.203 -0.000) 8.203 5.911 ( -0.000 -3.765 -0.000) 3.765 6.506 ( -0.000 -10.086 -0.000) 10.086 6.665 ( -0.000 -5.734 -0.000) 5.734 7.009 ( 0.000 4.326 0.000) 4.326 7.095 ( -0.000 -1.023 -0.000) 1.023 7.254 ( -0.000 -10.604 -0.000) 10.604 7.464 ( -0.000 -5.053 -0.000) 5.053 7.683 ( -0.000 -35.717 -0.000) 35.717 8.587 ( -0.000 -2.502 -0.000) 2.502 8.758 ( 0.000 3.097 0.000) 3.097 9.039 ( 0.000 1.286 0.000) 1.286 9.099 ( -0.000 -4.445 -0.000) 4.445 9.410 ( 0.000 0.342 0.000) 0.342 9.513 ( -0.000 -1.651 -0.000) 1.651 10.642 ( 0.000 1.954 0.000) 1.954 10.803 ( 0.000 0.571 0.000) 0.571 11.647 ( 0.000 10.260 0.000) 10.260 12.009 ( -0.000 -9.186 -0.000) 9.186 12.101 ( 0.000 0.395 0.000) 0.395 12.908 ( 0.000 13.076 0.000) 13.076 13.481 ( 0.000 3.978 0.000) 3.978 13.645 ( -0.000 -0.569 -0.000) 0.569 15.597 ( -0.000 -1.129 -0.000) 1.129 15.845 ( 0.000 0.951 0.000) 0.951 17.628 ( 0.000 7.361 0.000) 7.361 17.640 ( 0.000 1.154 0.000) 1.154 18.346 ( -0.000 -1.691 -0.000) 1.691 20.126 ( -0.000 -9.858 -0.000) 9.858 20.217 ( 0.000 5.123 0.000) 5.123 20.796 ( -0.000 -6.788 -0.000) 6.788 ======================= Grid point 34 (23/227) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 10.140 0.000 1.765) 10.293 1.570 ( 16.114 0.000 7.795) 17.900 2.066 ( -6.238 -0.000 13.868) 15.206 2.423 ( 2.480 0.000 -7.764) 8.150 2.721 ( 16.459 0.000 6.096) 17.552 3.525 ( 37.071 0.000 -4.067) 37.293 3.935 ( 2.301 0.000 -5.135) 5.627 4.445 ( -0.538 -0.000 2.832) 2.882 4.709 ( 0.220 0.000 0.204) 0.300 5.185 ( -5.780 -0.000 1.902) 6.085 5.271 ( 0.458 0.000 1.724) 1.784 5.553 ( 5.385 0.000 -6.596) 8.515 5.774 ( 0.031 0.000 -0.467) 0.468 6.296 ( -0.385 -0.000 2.099) 2.134 6.525 ( -12.939 -0.000 -5.375) 14.011 7.002 ( -1.727 -0.000 7.697) 7.889 7.377 ( -0.175 -0.000 5.339) 5.342 7.588 ( -1.172 -0.000 -0.244) 1.197 7.639 ( -27.265 -0.000 -13.616) 30.476 7.997 ( 0.206 0.000 -3.324) 3.330 8.555 ( 9.741 0.000 -19.207) 21.536 8.711 ( -9.164 -0.000 12.920) 15.840 8.879 ( -2.740 -0.000 4.174) 4.993 8.913 ( -10.862 -0.000 6.965) 12.903 9.362 ( 2.295 0.000 -1.854) 2.950 9.475 ( -2.199 -0.000 4.440) 4.955 10.361 ( -1.231 -0.000 6.129) 6.252 10.708 ( 2.884 0.000 -8.370) 8.853 11.797 ( -4.983 -0.000 -13.759) 14.633 12.341 ( 5.647 0.000 -1.865) 5.947 12.717 ( 28.716 0.000 12.644) 31.377 12.722 ( -1.781 -0.000 3.341) 3.786 13.973 ( 1.170 0.000 -9.964) 10.032 14.217 ( 18.724 0.000 8.729) 20.659 15.745 ( 0.495 0.000 -0.959) 1.079 16.053 ( -10.953 -0.000 14.354) 18.055 17.031 ( 0.515 0.000 -0.789) 0.942 17.131 ( 2.078 0.000 0.836) 2.239 17.571 ( -0.343 -0.000 0.768) 0.841 18.503 ( -0.901 -0.000 -1.972) 2.168 20.296 ( 7.384 0.000 1.295) 7.497 22.146 ( -32.982 -0.000 -15.866) 36.600 ======================= Grid point 35 (24/227) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 5.595 -16.845 1.815) 17.842 1.980 ( 3.794 -4.353 1.355) 5.931 2.142 ( 2.418 -27.086 9.670) 28.862 2.468 ( 2.619 -8.156 -3.525) 9.263 2.938 ( 11.312 -1.960 4.016) 12.163 3.940 ( 1.372 -0.699 -3.056) 3.422 4.035 ( 48.288 1.392 6.615) 48.758 4.442 ( 0.049 1.782 1.405) 2.270 4.590 ( -23.203 4.152 -8.249) 24.973 4.869 ( -17.700 5.266 -8.713) 20.419 5.309 ( 3.137 -0.849 2.012) 3.823 5.585 ( 4.951 -0.016 -2.485) 5.540 5.865 ( -2.033 -9.757 -2.855) 10.367 6.237 ( -1.278 9.049 3.110) 9.654 6.433 ( -1.002 -2.236 -0.676) 2.541 7.012 ( -1.918 1.545 7.984) 8.355 7.337 ( -7.435 6.005 -0.454) 9.568 7.419 ( -5.935 8.491 5.496) 11.727 7.443 ( 3.304 2.309 -6.348) 7.520 8.024 ( -0.886 0.788 -2.473) 2.743 8.498 ( 5.829 6.896 -10.388) 13.764 8.653 ( -6.485 -0.711 7.595) 10.013 8.787 ( -5.088 2.520 1.912) 5.991 8.916 ( -5.135 -4.011 3.576) 7.433 9.404 ( 0.168 -2.453 -1.643) 2.957 9.507 ( -0.491 -2.345 4.675) 5.253 10.416 ( -0.553 -3.873 5.010) 6.357 10.812 ( 1.921 -13.942 -6.040) 15.316 11.594 ( -14.662 0.294 -17.495) 22.828 12.389 ( 6.961 2.103 -2.571) 7.713 12.648 ( -2.879 7.873 4.193) 9.373 13.089 ( 28.553 4.190 12.580) 31.482 13.900 ( -1.151 2.812 -8.271) 8.812 14.278 ( 15.642 21.650 6.827) 27.568 15.755 ( 0.403 -0.901 -0.703) 1.212 15.971 ( -10.706 2.076 9.619) 14.541 17.103 ( 0.271 -8.703 -0.113) 8.708 17.358 ( 3.928 -22.593 1.366) 22.973 17.602 ( 2.287 -1.650 1.913) 3.407 18.469 ( -1.389 1.250 -1.401) 2.335 20.414 ( 10.393 0.166 3.169) 10.867 21.653 ( -33.889 1.811 -16.233) 37.620 ======================= Grid point 36 (25/227) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -1.111 1.413 4.707) 5.038 2.167 ( 4.582 -23.602 -1.940) 24.121 2.441 ( -4.042 -7.794 -2.441) 9.112 2.913 ( 8.608 -9.348 2.948) 13.045 3.147 ( 0.704 -31.918 1.664) 31.970 3.872 ( -40.980 6.914 -16.660) 44.775 3.942 ( -7.069 2.345 -3.441) 8.205 4.451 ( 6.381 1.822 -0.018) 6.636 4.605 ( 36.758 -0.513 7.710) 37.562 4.743 ( -1.014 0.101 -1.089) 1.491 5.390 ( 8.143 0.684 2.134) 8.446 5.636 ( 3.939 -0.107 0.581) 3.983 5.985 ( -0.389 -9.234 -1.652) 9.388 6.040 ( -1.043 14.084 2.379) 14.322 6.491 ( 1.088 -2.455 0.618) 2.756 7.000 ( -1.660 1.959 6.337) 6.838 7.083 ( -2.478 17.467 0.813) 17.660 7.292 ( -0.866 1.530 -0.561) 1.845 7.479 ( 1.874 -0.159 1.603) 2.471 7.803 ( -1.445 20.762 -0.887) 20.831 8.508 ( 1.286 -6.076 -1.669) 6.431 8.658 ( -1.468 -0.557 1.757) 2.356 8.733 ( -3.162 -2.495 -1.710) 4.375 8.945 ( -3.749 -4.144 2.353) 6.064 9.420 ( -1.051 -1.424 -0.967) 2.017 9.549 ( -0.052 -0.246 2.742) 2.753 10.507 ( 0.273 -4.711 2.761) 5.467 11.081 ( 0.432 -18.720 -2.976) 18.960 11.293 ( -19.047 -0.321 -16.857) 25.437 12.368 ( 6.094 9.460 -5.249) 12.417 12.495 ( -2.858 8.573 6.387) 11.066 13.347 ( 22.320 8.281 9.895) 25.781 13.777 ( -0.646 7.068 -3.110) 7.749 14.058 ( 6.763 21.527 1.019) 22.588 15.761 ( -0.383 1.224 1.533) 1.999 15.870 ( -6.126 1.622 3.187) 7.093 17.284 ( -0.417 -13.101 0.345) 13.112 17.614 ( -1.954 -4.626 -0.359) 5.035 17.980 ( 17.199 -29.658 7.557) 35.107 18.422 ( -1.093 2.156 -0.573) 2.484 20.541 ( 9.042 0.601 3.156) 9.596 21.162 ( -32.042 1.211 -15.271) 35.515 ======================= Grid point 37 (26/227) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 0.587 1.871 3.248) 3.794 2.449 ( -1.663 -4.248 -4.680) 6.536 2.612 ( -1.066 -22.848 0.722) 22.884 2.698 ( -19.869 13.355 -9.520) 25.764 3.250 ( -14.132 9.043 -5.188) 17.562 3.874 ( -4.873 0.954 7.915) 9.343 3.889 ( 5.137 -34.963 -6.679) 35.964 4.502 ( 6.007 0.909 -0.388) 6.087 4.733 ( -3.083 -5.067 0.050) 5.932 5.033 ( 18.571 -6.235 4.905) 20.194 5.447 ( 6.758 6.445 1.339) 9.434 5.651 ( 1.817 4.565 1.816) 5.238 5.859 ( 2.776 8.161 1.110) 8.692 6.142 ( 1.062 -10.413 -0.033) 10.467 6.517 ( -0.703 -0.494 -0.076) 0.863 6.781 ( -1.138 16.144 -0.429) 16.190 7.014 ( 0.503 -0.811 4.488) 4.588 7.296 ( 0.871 -1.297 0.029) 1.563 7.425 ( 1.633 17.561 0.372) 17.641 7.513 ( -0.868 4.881 1.190) 5.099 8.614 ( 0.905 -1.381 -0.118) 1.655 8.641 ( -1.161 -3.551 -0.283) 3.746 8.787 ( -0.630 -6.980 -1.177) 7.106 8.985 ( -2.167 -3.697 1.494) 4.538 9.419 ( -0.974 -0.653 -0.799) 1.419 9.544 ( -0.400 1.570 1.258) 2.051 10.589 ( 0.420 -3.597 0.981) 3.752 10.979 ( -15.165 0.747 -11.107) 18.812 11.392 ( 0.318 -16.956 -0.798) 16.978 12.193 ( 1.296 12.717 -1.797) 12.909 12.374 ( 0.216 9.474 2.372) 9.769 13.435 ( 12.495 11.120 5.610) 17.642 13.659 ( 3.140 8.250 2.881) 9.285 13.822 ( -2.567 9.810 -4.532) 11.107 15.709 ( -1.157 4.625 2.642) 5.451 15.838 ( -1.192 -1.287 -0.826) 1.939 17.485 ( -0.450 -11.995 0.138) 12.005 17.641 ( -1.142 -1.658 -0.160) 2.019 18.374 ( -0.480 2.261 -0.326) 2.334 18.762 ( 21.234 -32.592 9.912) 40.142 20.617 ( 2.276 1.840 0.309) 2.943 20.733 ( -23.978 0.620 -11.142) 26.447 ======================= Grid point 38 (27/227) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 0.000 1.927 0.000) 1.927 2.212 ( 0.000 18.776 0.000) 18.776 2.472 ( -0.000 -2.021 -0.000) 2.021 2.918 ( -0.000 -9.808 -0.000) 9.808 2.998 ( 0.000 13.255 0.000) 13.255 3.826 ( -0.000 -0.399 -0.000) 0.399 4.295 ( -0.000 -11.344 -0.000) 11.344 4.520 ( 0.000 1.685 0.000) 1.685 4.825 ( -0.000 -6.425 -0.000) 6.425 5.265 ( -0.000 -3.357 -0.000) 3.357 5.357 ( 0.000 4.391 0.000) 4.391 5.565 ( 0.000 8.256 0.000) 8.256 5.838 ( -0.000 -0.284 -0.000) 0.284 6.392 ( -0.000 -23.536 -0.000) 23.536 6.485 ( 0.000 4.918 0.000) 4.918 6.592 ( 0.000 4.322 0.000) 4.322 7.072 ( -0.000 -3.252 -0.000) 3.252 7.190 ( 0.000 10.472 0.000) 10.472 7.341 ( -0.000 -2.669 -0.000) 2.669 7.434 ( 0.000 6.893 0.000) 6.893 8.586 ( 0.000 1.824 0.000) 1.824 8.728 ( -0.000 -4.664 -0.000) 4.664 8.903 ( -0.000 -7.595 -0.000) 7.595 9.022 ( -0.000 -2.205 -0.000) 2.205 9.416 ( -0.000 -0.257 -0.000) 0.257 9.515 ( 0.000 1.695 0.000) 1.695 10.638 ( -0.000 -1.959 -0.000) 1.959 10.834 ( 0.000 1.453 0.000) 1.453 11.617 ( -0.000 -11.068 -0.000) 11.068 12.020 ( 0.000 8.845 0.000) 8.845 12.231 ( 0.000 8.430 0.000) 8.430 13.332 ( 0.000 12.931 0.000) 12.931 13.617 ( 0.000 6.698 0.000) 6.698 13.658 ( 0.000 1.396 0.000) 1.396 15.642 ( 0.000 3.682 0.000) 3.682 15.848 ( -0.000 -0.770 -0.000) 0.770 17.636 ( -0.000 -6.892 -0.000) 6.892 17.649 ( -0.000 -0.490 -0.000) 0.490 18.340 ( 0.000 1.369 0.000) 1.369 19.482 ( -0.000 -30.602 -0.000) 30.602 20.403 ( 0.000 6.349 0.000) 6.349 20.673 ( -0.000 -1.071 -0.000) 1.071 ======================= Grid point 45 (28/227) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 4.219 0.000 0.220) 4.225 1.908 ( 8.305 0.000 2.767) 8.754 2.042 ( -5.123 -0.000 5.938) 7.843 2.382 ( 0.582 0.000 -4.966) 5.000 3.091 ( 10.075 0.000 3.887) 10.799 3.918 ( -3.273 -0.000 -3.804) 5.018 4.047 ( -48.995 -0.000 -19.512) 52.738 4.487 ( 2.362 0.000 0.437) 2.402 4.600 ( 36.371 0.000 6.693) 36.982 4.766 ( -3.877 -0.000 -3.274) 5.075 5.404 ( 12.409 0.000 3.849) 12.993 5.630 ( 4.515 0.000 -1.164) 4.662 5.800 ( 3.758 0.000 1.175) 3.938 6.309 ( -1.301 -0.000 1.367) 1.887 6.444 ( 3.580 0.000 1.757) 3.988 7.033 ( -3.913 -0.000 7.799) 8.726 7.282 ( -3.983 -0.000 -2.081) 4.494 7.448 ( 1.080 0.000 4.904) 5.022 7.554 ( -1.224 -0.000 -0.542) 1.339 7.960 ( -0.253 -0.000 -3.165) 3.175 8.574 ( 4.226 0.000 -9.515) 10.411 8.612 ( -0.551 -0.000 -5.586) 5.613 8.785 ( -10.751 -0.000 14.564) 18.102 8.860 ( -1.877 -0.000 2.447) 3.084 9.387 ( 1.257 0.000 -1.153) 1.706 9.514 ( 0.402 0.000 6.831) 6.843 10.401 ( -0.560 -0.000 4.779) 4.812 10.678 ( 1.625 0.000 -6.347) 6.552 11.295 ( -19.218 -0.000 -19.012) 27.033 12.467 ( 6.216 0.000 -2.105) 6.563 12.698 ( -3.214 -0.000 3.424) 4.696 13.483 ( 22.606 0.000 9.950) 24.699 13.850 ( -2.390 -0.000 -7.276) 7.658 14.716 ( 14.488 0.000 6.979) 16.081 15.746 ( 0.276 0.000 -0.586) 0.648 15.901 ( -9.631 -0.000 5.924) 11.307 17.034 ( 0.322 0.000 -0.453) 0.556 17.178 ( 1.303 0.000 0.440) 1.375 17.655 ( 6.545 0.000 3.481) 7.413 18.461 ( -0.939 -0.000 -0.505) 1.067 20.552 ( 9.471 0.000 3.246) 10.012 21.200 ( -31.285 -0.000 -14.907) 34.655 ======================= Grid point 46 (29/227) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 1.230 -14.348 0.668) 14.416 2.007 ( -0.174 -0.923 0.423) 1.030 2.232 ( 0.248 -17.597 1.217) 17.640 2.497 ( 1.980 -24.055 -0.710) 24.147 3.111 ( -4.865 9.357 -2.379) 10.811 3.400 ( -27.827 -0.292 -11.612) 30.154 3.921 ( -0.519 -0.285 -1.262) 1.394 4.518 ( 3.253 0.289 0.289) 3.279 4.708 ( -2.366 1.172 -1.231) 2.913 4.904 ( 11.842 -2.006 2.150) 12.202 5.573 ( 11.102 1.156 2.222) 11.381 5.672 ( 2.644 -0.324 0.145) 2.668 5.938 ( 10.813 -3.309 2.863) 11.664 6.231 ( -0.336 8.730 0.788) 8.772 6.491 ( 1.663 -0.539 0.891) 1.962 7.013 ( -4.206 0.313 5.166) 6.669 7.233 ( -1.259 2.632 -0.529) 2.965 7.396 ( -1.152 13.364 1.316) 13.478 7.492 ( 1.652 -1.058 0.795) 2.117 7.979 ( -0.729 1.328 -1.591) 2.197 8.514 ( 1.552 7.048 -3.342) 7.953 8.585 ( -0.746 -3.704 -1.720) 4.152 8.717 ( -3.366 2.547 3.840) 5.706 8.880 ( -1.703 -2.722 2.219) 3.903 9.398 ( 0.208 -0.549 -0.116) 0.598 9.568 ( 1.056 -0.445 4.101) 4.258 10.449 ( -0.184 -3.684 2.227) 4.309 10.795 ( 0.837 -14.921 -2.505) 15.153 10.997 ( -15.031 -0.146 -13.514) 20.213 12.508 ( 5.510 1.961 -3.230) 6.682 12.612 ( -3.829 7.813 3.914) 9.541 13.693 ( 12.333 4.415 5.431) 14.181 13.779 ( -1.759 1.818 -3.757) 4.529 14.609 ( 6.311 28.369 3.013) 29.218 15.760 ( 0.284 -1.443 0.189) 1.482 15.838 ( -4.910 0.653 2.120) 5.388 17.105 ( -0.017 -8.426 0.025) 8.426 17.398 ( -0.040 -19.520 -0.125) 19.520 17.830 ( 9.609 -11.613 4.513) 15.734 18.441 ( -0.433 1.383 -0.054) 1.450 20.650 ( 5.382 0.511 1.932) 5.741 20.810 ( -20.588 2.190 -9.765) 22.892 ======================= Grid point 47 (30/227) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -0.000 -0.200 -0.000) 0.200 2.214 ( -0.000 -23.721 -0.000) 23.721 2.355 ( -0.000 -4.836 -0.000) 4.836 2.770 ( 0.000 15.554 0.000) 15.554 3.179 ( -0.000 -49.209 -0.000) 49.209 3.272 ( 0.000 3.011 0.000) 3.011 3.908 ( 0.000 1.439 0.000) 1.439 4.544 ( -0.000 -0.108 -0.000) 0.108 4.674 ( -0.000 -0.073 -0.000) 0.073 5.027 ( -0.000 -5.236 -0.000) 5.236 5.608 ( 0.000 4.059 0.000) 4.059 5.693 ( 0.000 0.110 0.000) 0.110 6.030 ( 0.000 6.314 0.000) 6.314 6.094 ( 0.000 2.889 0.000) 2.889 6.506 ( -0.000 -0.336 -0.000) 0.336 7.004 ( 0.000 0.425 0.000) 0.425 7.056 ( 0.000 16.125 0.000) 16.125 7.288 ( 0.000 0.463 0.000) 0.463 7.523 ( -0.000 -0.697 -0.000) 0.697 7.776 ( 0.000 20.571 0.000) 20.571 8.514 ( -0.000 -5.985 -0.000) 5.985 8.661 ( -0.000 -6.731 -0.000) 6.731 8.666 ( 0.000 2.800 0.000) 2.800 8.926 ( -0.000 -3.376 -0.000) 3.376 9.405 ( -0.000 -0.346 -0.000) 0.346 9.575 ( 0.000 1.406 0.000) 1.406 10.525 ( -0.000 -4.802 -0.000) 4.802 10.860 ( 0.000 0.200 0.000) 0.200 11.091 ( -0.000 -20.024 -0.000) 20.024 12.412 ( 0.000 13.495 0.000) 13.495 12.496 ( 0.000 4.632 0.000) 4.632 13.678 ( 0.000 7.974 0.000) 7.974 13.724 ( 0.000 2.631 0.000) 2.631 14.160 ( 0.000 29.304 0.000) 29.304 15.776 ( 0.000 3.594 0.000) 3.594 15.798 ( -0.000 -2.236 -0.000) 2.236 17.280 ( -0.000 -12.821 -0.000) 12.821 17.586 ( -0.000 -5.533 -0.000) 5.533 18.332 ( -0.000 -36.342 -0.000) 36.342 18.408 ( 0.000 2.294 0.000) 2.294 20.593 ( 0.000 5.009 0.000) 5.009 20.677 ( 0.000 0.690 0.000) 0.690 ======================= Grid point 57 (31/227) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 0.000 0.000 0.000) 0.000 2.001 ( -0.000 -0.000 0.000) 0.000 2.023 ( 0.000 0.000 -0.000) 0.000 2.365 ( 0.000 0.000 -0.000) 0.000 3.112 ( 0.000 0.000 0.000) 0.000 3.232 ( 0.000 0.000 0.000) 0.000 3.911 ( 0.000 0.000 -0.000) 0.000 4.540 ( 0.000 0.000 0.000) 0.000 4.700 ( 0.000 0.000 0.000) 0.000 4.949 ( 0.000 0.000 0.000) 0.000 5.633 ( 0.000 0.000 0.000) 0.000 5.685 ( 0.000 0.000 0.000) 0.000 6.034 ( 0.000 0.000 0.000) 0.000 6.301 ( 0.000 0.000 0.000) 0.000 6.502 ( 0.000 0.000 0.000) 0.000 6.996 ( 0.000 0.000 0.000) 0.000 7.237 ( 0.000 0.000 0.000) 0.000 7.495 ( 0.000 0.000 0.000) 0.000 7.534 ( 0.000 0.000 0.000) 0.000 7.934 ( 0.000 0.000 0.000) 0.000 8.533 ( 0.000 0.000 0.000) 0.000 8.617 ( 0.000 0.000 -0.000) 0.000 8.729 ( 0.000 0.000 0.000) 0.000 8.851 ( 0.000 0.000 0.000) 0.000 9.395 ( 0.000 0.000 0.000) 0.000 9.589 ( 0.000 0.000 -0.000) 0.000 10.424 ( 0.000 0.000 -0.000) 0.000 10.660 ( 0.000 0.000 0.000) 0.000 10.862 ( 0.000 0.000 0.000) 0.000 12.541 ( 0.000 0.000 0.000) 0.000 12.669 ( 0.000 0.000 -0.000) 0.000 13.773 ( 0.000 0.000 0.000) 0.000 13.816 ( 0.000 0.000 0.000) 0.000 14.926 ( 0.000 0.000 -0.000) 0.000 15.746 ( 0.000 0.000 0.000) 0.000 15.813 ( 0.000 0.000 0.000) 0.000 17.035 ( 0.000 0.000 0.000) 0.000 17.196 ( 0.000 0.000 0.000) 0.000 17.816 ( 0.000 0.000 0.000) 0.000 18.450 ( 0.000 0.000 0.000) 0.000 20.680 ( 0.000 0.000 0.000) 0.000 20.692 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 103 (32/227) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -11.955 -0.000 40.753) 42.471 0.820 ( 68.959 0.000 43.031) 81.284 1.265 ( -25.682 -0.000 65.282) 70.152 1.586 ( 2.983 0.000 3.865) 4.883 2.116 ( -2.806 -0.000 11.884) 12.211 2.290 ( -2.189 -0.000 -0.916) 2.373 4.062 ( -3.972 -0.000 -6.759) 7.840 4.694 ( -1.308 -0.000 8.350) 8.452 4.731 ( -7.415 -0.000 -7.207) 10.341 4.957 ( -19.526 -0.000 2.897) 19.740 5.579 ( 7.414 0.000 -21.254) 22.510 5.636 ( -3.931 -0.000 -10.363) 11.083 5.977 ( -10.215 -0.000 -7.053) 12.414 6.286 ( 1.555 0.000 -3.508) 3.837 7.051 ( 4.220 0.000 -7.330) 8.458 7.085 ( -8.013 -0.000 18.047) 19.746 7.275 ( 6.892 0.000 0.091) 6.893 7.694 ( -0.435 -0.000 10.259) 10.268 7.890 ( 25.979 0.000 6.970) 26.897 7.902 ( 8.933 0.000 -22.676) 24.372 8.395 ( -4.711 -0.000 6.571) 8.085 8.879 ( 1.378 0.000 2.228) 2.620 8.930 ( -0.020 -0.000 7.576) 7.577 9.390 ( -0.021 -0.000 2.901) 2.901 9.595 ( 5.044 0.000 -5.105) 7.177 10.062 ( 6.158 0.000 -11.080) 12.677 10.523 ( -11.959 -0.000 13.313) 17.896 10.870 ( 2.079 0.000 8.247) 8.505 12.101 ( 3.587 0.000 -6.852) 7.734 12.351 ( -4.861 -0.000 -5.276) 7.173 12.750 ( -2.968 -0.000 6.705) 7.333 13.107 ( -73.586 -0.000 0.702) 73.590 13.290 ( 1.115 0.000 1.446) 1.826 13.745 ( -2.612 -0.000 1.967) 3.269 15.620 ( 16.367 0.000 -13.762) 21.384 16.866 (-119.612 -0.000 -22.137) 121.643 16.973 ( 0.920 0.000 -7.337) 7.395 16.989 ( 0.458 0.000 -0.365) 0.585 17.926 ( -55.895 -0.000 22.773) 60.357 18.533 ( -2.029 -0.000 6.396) 6.711 20.717 ( -5.850 -0.000 1.907) 6.153 21.263 ( 187.429 0.000 -2.579) 187.446 ======================= Grid point 104 (33/227) ======================= q-point: ( 0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -2.201 -21.341 28.455) 35.637 1.704 ( -4.114 -31.769 41.536) 52.454 1.749 ( 8.418 -7.926 6.921) 13.475 1.996 ( 63.628 -9.136 34.848) 73.119 2.134 ( -2.311 -0.138 13.290) 13.490 2.365 ( 4.068 -10.528 3.938) 11.954 4.010 ( -3.221 -3.357 -6.378) 7.895 4.488 ( -20.164 1.569 -13.417) 24.271 4.628 ( -13.403 6.895 11.002) 18.661 4.764 ( -2.929 -1.270 4.372) 5.413 5.457 ( -8.079 1.186 -15.972) 17.938 5.525 ( 2.288 0.695 -20.878) 21.014 6.127 ( -2.832 -11.409 -14.366) 18.563 6.248 ( -7.774 -6.665 -4.965) 11.380 7.031 ( -0.796 3.142 -2.108) 3.866 7.077 ( -5.670 1.183 12.856) 14.100 7.319 ( -0.739 1.210 -2.448) 2.829 7.627 ( -6.269 9.063 12.004) 16.295 7.875 ( 9.482 3.364 -19.634) 22.061 8.188 ( 27.752 4.074 -13.303) 31.044 8.539 ( 1.869 -11.867 1.859) 12.156 8.834 ( -0.027 7.648 5.318) 9.315 8.996 ( 0.774 -1.688 6.298) 6.566 9.278 ( -4.592 9.292 1.923) 10.542 9.575 ( 1.632 2.041 -5.246) 5.861 10.090 ( 4.608 -0.418 -8.885) 10.018 10.587 ( -17.273 -14.701 16.769) 28.208 11.053 ( 17.625 -0.726 10.554) 20.556 11.719 ( -61.078 35.058 52.539) 87.863 12.101 ( -0.231 1.550 -5.453) 5.674 12.262 ( -9.951 -4.811 -8.228) 13.779 12.693 ( -4.413 7.957 7.917) 12.061 13.263 ( 4.212 5.626 0.238) 7.033 13.741 ( 2.149 0.675 0.616) 2.335 15.645 ( 6.452 9.052 -9.509) 14.628 15.822 ( 2.581 3.765 -3.897) 6.002 17.045 ( 0.680 -9.697 -1.418) 9.824 17.645 ( -25.583 -47.928 -17.295) 57.015 17.823 ( -21.094 -9.784 17.578) 29.149 18.535 ( -2.940 0.779 7.028) 7.658 20.615 ( -9.687 1.007 -0.987) 9.789 22.297 ( 72.952 28.439 -24.978) 82.187 ======================= Grid point 105 (34/227) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 4.771 -33.567 13.063) 36.334 1.909 ( -0.939 0.352 2.377) 2.579 2.099 ( 7.925 -6.687 8.948) 13.696 2.434 ( 1.313 -18.525 14.810) 23.754 2.700 ( 10.055 -27.775 17.946) 34.563 3.154 ( 54.175 -15.897 28.633) 63.305 4.009 ( -26.632 -1.712 -20.033) 33.369 4.017 ( -16.954 -4.610 -11.348) 20.916 4.466 ( -5.854 7.161 8.674) 12.680 4.785 ( -1.030 -0.837 3.775) 4.001 5.341 ( -1.992 -1.814 -6.530) 7.064 5.445 ( 4.907 1.272 -19.270) 19.926 6.008 ( 2.745 12.182 -5.549) 13.665 6.312 ( -11.294 -15.393 -9.169) 21.180 6.929 ( -0.416 7.180 -0.353) 7.201 7.048 ( -4.635 3.655 11.873) 13.259 7.192 ( -4.828 8.727 1.629) 10.106 7.468 ( -5.200 8.351 6.280) 11.672 7.767 ( 3.970 11.261 -6.421) 13.557 8.260 ( 10.538 5.754 -17.902) 21.556 8.617 ( -3.555 1.272 -0.211) 3.781 8.763 ( -1.478 2.861 6.255) 7.035 8.975 ( -5.833 4.793 4.270) 8.674 9.207 ( 4.138 -3.026 -2.198) 5.577 9.545 ( 1.619 0.510 -4.239) 4.566 10.051 ( -1.110 5.355 1.819) 5.764 10.608 ( -21.680 -4.296 20.589) 30.205 11.321 ( -11.068 -4.917 19.431) 22.896 11.356 ( 17.570 -1.814 11.126) 20.876 12.002 ( -6.105 1.588 -7.468) 9.776 12.214 ( -4.301 -3.526 -6.950) 8.902 12.532 ( -2.585 11.366 8.194) 14.248 13.207 ( 1.480 5.370 -0.618) 5.605 13.792 ( 6.098 -1.528 -1.322) 6.424 15.568 ( 7.908 3.268 -14.356) 16.713 15.854 ( 11.719 5.047 -5.090) 13.738 17.250 ( 0.223 -14.381 1.402) 14.451 17.853 ( -8.449 -3.992 19.022) 21.193 17.909 ( -20.919 -30.817 -14.161) 39.848 18.519 ( -3.267 1.407 7.261) 8.085 20.467 ( -11.284 0.458 -3.292) 11.764 22.327 ( 30.328 23.196 -12.828) 40.279 ======================= Grid point 106 (35/227) ======================= q-point: ( 0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -2.752 2.960 2.052) 4.533 2.257 ( 5.788 -32.119 7.066) 33.392 2.332 ( 8.167 -4.993 5.058) 10.827 2.757 ( 6.605 -12.299 1.039) 13.999 3.364 ( 6.082 -27.090 14.545) 31.343 3.439 ( -37.660 -2.711 -15.979) 40.999 4.014 ( 21.615 -9.289 3.380) 23.768 4.064 ( 11.462 -5.400 1.595) 12.770 4.335 ( -1.564 5.823 8.103) 10.100 4.846 ( 2.697 -5.294 4.981) 7.753 5.323 ( 0.214 0.303 -7.520) 7.530 5.427 ( 5.133 -1.614 -7.689) 9.385 5.828 ( 1.167 9.972 -0.367) 10.047 6.361 ( -3.497 -7.614 -9.168) 12.420 6.820 ( 0.998 6.202 1.576) 6.476 6.945 ( -6.603 9.336 10.593) 15.587 7.039 ( -6.264 3.306 5.943) 9.246 7.304 ( -1.875 9.837 2.449) 10.310 7.558 ( -3.057 14.158 4.343) 15.122 8.015 ( -7.403 14.134 -15.036) 21.924 8.553 ( 1.307 2.247 -3.553) 4.403 8.763 ( -3.362 -2.071 5.662) 6.903 8.859 ( -4.599 3.227 0.394) 5.632 9.317 ( 5.364 -3.540 -2.636) 6.947 9.550 ( 1.597 -0.645 -2.213) 2.804 9.945 ( -4.845 6.375 9.527) 12.444 10.562 ( -8.679 -3.909 4.580) 10.563 11.475 ( -4.304 -12.201 7.505) 14.957 11.626 ( 12.923 -2.091 7.995) 15.339 11.873 ( -5.549 0.784 -4.752) 7.347 12.156 ( -1.661 3.562 -3.013) 4.952 12.407 ( -1.396 5.925 7.172) 9.407 13.129 ( 0.137 4.801 -0.635) 4.845 13.910 ( 7.091 -4.952 -3.726) 9.418 15.534 ( 8.990 4.110 -14.628) 17.654 15.848 ( 8.841 6.105 -7.818) 13.287 17.479 ( -0.868 -12.205 3.376) 12.693 17.930 ( -8.329 -5.506 16.989) 19.706 18.048 ( -9.495 -16.037 -6.775) 19.830 18.501 ( -2.835 1.025 6.937) 7.564 20.326 ( -8.825 -0.271 -3.660) 9.558 22.211 ( 12.904 13.927 -9.779) 21.356 ======================= Grid point 107 (36/227) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -0.694 2.044 1.885) 2.866 2.445 ( 6.253 0.660 -2.355) 6.714 2.773 ( 3.463 -16.222 -3.073) 16.870 2.982 ( 1.563 -14.569 4.953) 15.467 3.211 ( -14.282 -8.938 9.918) 19.551 3.728 ( 2.059 -4.753 -1.694) 5.450 4.014 ( 5.282 7.916 -11.346) 14.808 4.182 ( -3.128 -4.733 11.640) 12.949 4.532 ( 8.353 -4.794 0.265) 9.634 5.092 ( 8.434 -10.617 -1.716) 13.668 5.272 ( 0.509 1.579 -4.278) 4.588 5.486 ( 2.480 -0.417 1.161) 2.770 5.750 ( -0.194 2.153 6.679) 7.021 6.361 ( 5.191 1.566 -13.286) 14.350 6.792 ( -8.130 2.577 7.343) 11.254 6.816 ( -2.317 -2.357 9.397) 9.961 6.951 ( -4.537 4.232 3.889) 7.323 7.166 ( -0.310 8.115 5.476) 9.794 7.324 ( -6.535 10.079 4.118) 12.699 7.610 ( -9.652 13.127 -4.250) 16.839 8.537 ( 3.739 0.460 -6.626) 7.622 8.761 ( -2.873 1.564 0.433) 3.300 8.804 ( -1.277 -1.039 2.113) 2.679 9.392 ( 2.654 -1.791 -2.780) 4.240 9.563 ( 0.649 -0.434 -1.968) 2.117 9.857 ( -6.565 2.695 9.052) 11.502 10.563 ( -2.540 -3.548 -3.683) 5.710 11.624 ( -1.116 -7.206 1.031) 7.364 11.778 ( 3.016 -0.914 4.698) 5.657 11.838 ( 0.123 -0.845 3.182) 3.295 12.060 ( -0.554 5.690 3.210) 6.557 12.373 ( -0.547 1.750 4.497) 4.857 13.067 ( 1.098 3.346 0.318) 3.536 14.051 ( 4.043 -6.967 -5.304) 9.645 15.475 ( 8.512 6.401 -13.992) 17.584 15.795 ( 6.465 4.145 -12.586) 14.743 17.634 ( -1.578 -6.645 3.453) 7.653 17.997 ( -8.115 -2.607 17.210) 19.205 18.139 ( -1.513 -7.113 -2.611) 7.726 18.497 ( -3.072 -0.064 6.596) 7.276 20.250 ( -2.814 -0.675 -1.549) 3.282 22.097 ( 3.217 5.041 -10.164) 11.793 ======================= Grid point 108 (37/227) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 1.727 0.330 5.165) 5.456 2.454 ( 4.869 4.385 -3.233) 7.307 2.915 ( 9.240 -0.906 -4.334) 10.246 3.193 ( -9.111 4.484 16.183) 19.105 3.363 ( 0.982 -7.949 18.670) 20.316 3.631 ( 5.981 1.950 -14.341) 15.660 3.980 ( 2.622 1.998 -2.343) 4.044 4.270 ( -4.187 -5.088 4.695) 8.091 4.595 ( -2.785 -0.128 -3.609) 4.560 5.188 ( 4.569 2.331 -9.795) 11.057 5.284 ( -2.305 -4.391 -0.051) 4.960 5.468 ( -0.242 4.523 2.518) 5.182 5.708 ( -8.948 4.353 2.228) 10.197 6.334 ( 7.781 -1.600 -15.426) 17.351 6.728 ( -8.338 -1.670 7.070) 11.059 6.840 ( -0.640 8.024 3.456) 8.760 6.960 ( -3.767 -11.860 10.750) 16.444 7.082 ( -0.213 6.963 6.239) 9.351 7.199 ( -4.074 -0.420 4.438) 6.039 7.490 ( 3.953 -4.263 5.366) 7.912 8.538 ( 2.982 -0.254 -7.629) 8.195 8.729 ( 0.848 0.509 0.377) 1.058 8.816 ( -0.581 -0.181 1.634) 1.744 9.404 ( -0.160 -0.306 -4.215) 4.229 9.550 ( -0.348 0.526 -3.784) 3.836 9.807 ( -9.074 -1.877 8.955) 12.886 10.568 ( 0.029 -1.899 -5.501) 5.819 11.714 ( 1.623 -3.351 0.494) 3.756 11.805 ( 0.612 3.301 4.716) 5.789 11.850 ( -5.329 -1.332 2.947) 6.234 12.041 ( 2.281 1.221 9.041) 9.404 12.371 ( 0.868 1.621 3.280) 3.760 13.059 ( 3.615 1.717 1.839) 4.405 14.137 ( -2.986 -5.557 -4.399) 7.691 15.392 ( 8.879 5.369 -16.517) 19.506 15.742 ( 6.278 2.061 -15.982) 17.294 17.687 ( -1.850 -0.325 2.652) 3.250 18.000 ( -8.712 1.256 16.407) 18.619 18.222 ( 7.453 0.284 1.163) 7.549 18.496 ( -4.486 -0.663 6.613) 8.019 20.270 ( 3.831 -0.689 2.131) 4.437 22.019 ( -3.810 -3.348 -12.603) 13.586 ======================= Grid point 109 (38/227) ======================= q-point: (-0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 0.744 -1.203 8.742) 8.855 2.361 ( -2.970 6.794 -2.797) 7.925 2.812 ( -9.954 28.643 3.761) 30.555 2.889 ( -4.032 5.941 -4.273) 8.355 3.557 ( -13.290 10.845 -5.043) 17.879 3.732 ( 25.120 -3.597 18.408) 31.350 3.981 ( -0.233 -6.009 4.127) 7.293 4.308 ( -7.553 1.536 -6.859) 10.317 4.408 ( -8.316 5.781 5.476) 11.514 5.024 ( -7.933 11.559 3.378) 14.421 5.340 ( 2.005 -5.914 -4.452) 7.669 5.401 ( 1.385 3.989 -0.208) 4.228 5.611 ( 3.921 -2.518 -7.756) 9.048 6.447 ( 9.612 -8.003 -11.848) 17.228 6.683 ( -2.835 4.143 6.947) 8.571 6.792 ( 0.126 -0.748 4.170) 4.239 7.019 ( -1.648 3.271 7.214) 8.091 7.181 ( -0.328 -11.676 6.503) 13.369 7.267 ( -2.524 -8.999 5.191) 10.691 7.793 ( 8.521 -17.075 1.753) 19.164 8.532 ( 2.141 -0.463 -6.767) 7.113 8.766 ( 3.712 -1.109 0.263) 3.883 8.812 ( -0.482 1.552 3.147) 3.542 9.357 ( -1.545 1.136 -6.481) 6.759 9.501 ( -0.812 1.108 -5.877) 6.035 9.813 ( -10.496 -6.700 10.539) 16.313 10.568 ( 0.326 -0.596 -1.706) 1.836 11.662 ( -9.863 4.384 2.226) 11.021 11.734 ( -10.863 2.177 4.825) 12.084 11.906 ( 7.175 -3.401 0.960) 7.998 12.148 ( 2.514 -3.148 11.844) 12.511 12.375 ( 4.822 3.928 2.739) 6.796 13.110 ( 5.915 0.811 2.964) 6.666 14.100 ( -10.605 -2.003 -1.422) 10.886 15.355 ( 10.981 0.581 -21.706) 24.332 15.702 ( 6.693 1.428 -16.514) 17.875 17.627 ( -1.868 6.533 1.309) 6.920 17.945 ( -9.160 3.247 16.049) 18.762 18.315 ( 16.264 7.313 4.539) 18.401 18.491 ( -2.880 0.306 7.736) 8.261 20.371 ( 7.618 -0.760 5.335) 9.331 21.972 ( -11.110 -11.268 -17.781) 23.802 ======================= Grid point 110 (39/227) ======================= q-point: (-0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -1.628 0.997 9.650) 9.837 2.154 ( -9.224 8.310 -2.551) 12.674 2.207 ( -8.541 32.768 0.204) 33.864 2.630 ( -16.073 10.311 -1.594) 19.163 2.938 ( -43.170 13.063 -15.542) 47.705 3.532 ( -19.929 34.707 3.436) 40.169 4.113 ( 4.868 0.815 4.949) 6.989 4.405 ( 14.126 -5.201 19.175) 24.377 4.480 ( 11.929 -1.793 11.562) 16.709 4.832 ( -3.768 6.491 5.211) 9.137 5.397 ( 6.947 0.377 -0.535) 6.978 5.452 ( 8.410 -4.504 -11.776) 15.156 5.746 ( 6.801 -10.364 -7.928) 14.715 6.582 ( 15.176 9.726 1.540) 18.091 6.737 ( 1.176 -14.845 -3.169) 15.225 6.855 ( 1.892 -2.770 2.202) 4.012 7.015 ( -3.982 -1.376 8.554) 9.536 7.375 ( 0.499 -7.136 7.365) 10.267 7.471 ( 0.613 -15.922 0.422) 15.939 8.110 ( 4.574 -14.314 -14.375) 20.795 8.545 ( 2.617 -2.194 -4.779) 5.874 8.783 ( -2.294 2.919 7.633) 8.488 8.840 ( 5.977 -0.110 -0.878) 6.042 9.274 ( -1.212 1.959 -7.990) 8.316 9.453 ( 0.780 0.392 -5.654) 5.722 9.895 ( -8.783 -10.587 9.517) 16.727 10.597 ( -3.837 -3.164 12.608) 13.553 11.434 ( -20.311 2.511 1.169) 20.499 11.558 ( -10.871 8.281 8.267) 15.971 12.043 ( 5.294 -3.252 -0.679) 6.250 12.313 ( -2.562 -10.020 11.322) 15.335 12.391 ( 11.435 7.739 3.000) 14.130 13.188 ( 6.828 1.005 3.216) 7.614 13.972 ( -13.616 -0.615 1.171) 13.680 15.382 ( 11.912 -2.702 -25.390) 28.175 15.677 ( 6.943 0.880 -14.196) 15.828 17.460 ( -1.231 12.179 0.133) 12.241 17.872 ( -9.671 3.166 16.742) 19.592 18.401 ( 15.219 8.338 5.399) 18.174 18.525 ( 14.122 9.729 13.087) 21.572 20.508 ( 7.180 -1.197 6.583) 9.814 21.905 ( -21.875 -18.454 -28.338) 40.275 ======================= Grid point 111 (40/227) ======================= q-point: (-0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -11.872 35.766 4.441) 37.945 1.740 ( -43.023 9.099 -14.120) 46.186 1.958 ( -24.118 11.329 -7.080) 27.571 2.075 ( -9.428 1.912 5.911) 11.291 2.360 ( -17.520 18.956 9.453) 27.489 2.751 ( -15.180 36.895 16.221) 43.067 4.155 ( 0.527 1.150 3.786) 3.992 4.508 ( -1.358 -2.688 7.104) 7.716 4.700 ( -4.423 -0.444 6.839) 8.157 4.830 ( 11.178 4.787 8.905) 15.072 5.536 ( 10.208 -2.431 -17.592) 20.483 5.593 ( 16.408 -4.898 5.355) 17.941 5.972 ( 6.573 -12.656 -8.122) 16.411 6.584 ( 17.932 14.625 2.078) 23.232 6.927 ( 5.255 -1.070 2.232) 5.809 7.023 ( 0.759 -9.714 5.749) 11.314 7.066 ( 3.464 -7.647 -0.889) 8.442 7.501 ( -0.152 -3.526 9.119) 9.778 7.739 ( 4.389 -14.941 -9.373) 18.175 8.133 ( -4.187 -3.253 -32.056) 32.492 8.625 ( 1.299 -6.974 0.355) 7.103 8.716 ( -3.042 7.777 6.218) 10.412 8.890 ( 4.756 1.570 0.000) 5.009 9.215 ( 1.567 -0.620 -6.618) 6.830 9.464 ( 4.233 -1.465 -4.365) 6.254 10.015 ( -0.320 -6.912 -1.902) 7.177 10.749 ( -11.084 -7.589 34.221) 36.763 11.175 ( -26.904 -3.315 4.704) 27.512 11.381 ( -11.445 -0.207 24.839) 27.350 12.108 ( 1.449 -1.961 -3.031) 3.890 12.415 ( 11.663 8.188 2.314) 14.437 12.521 ( -4.536 -13.312 10.390) 17.485 13.256 ( 6.039 2.088 2.639) 6.913 13.848 ( -11.822 -1.398 2.657) 12.198 15.431 ( 12.141 -3.262 -25.522) 28.451 15.699 ( 6.383 -2.423 -7.616) 10.228 17.239 ( -0.279 13.463 -0.784) 13.489 17.807 ( -9.635 2.695 17.748) 20.374 18.458 ( 3.890 1.415 4.737) 6.291 18.676 ( 53.134 31.198 24.905) 66.459 20.625 ( 1.941 -2.274 4.873) 5.717 21.676 ( -42.576 -21.866 -51.455) 70.275 ======================= Grid point 112 (41/227) ======================= q-point: (-0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -57.252 12.831 -12.159) 59.919 0.920 ( -17.245 25.268 22.356) 37.890 1.626 ( -8.727 18.064 13.871) 24.390 1.732 ( -19.503 32.515 31.828) 49.504 2.095 ( -4.938 -0.258 11.302) 12.336 2.377 ( -5.737 6.595 1.892) 8.943 4.133 ( -2.123 0.901 -1.993) 3.048 4.622 ( -0.535 -7.916 11.651) 14.096 4.690 ( -6.660 -3.977 8.494) 11.503 4.867 ( 1.001 1.344 3.616) 3.985 5.572 ( 9.364 -1.147 -21.284) 23.281 5.813 ( 5.928 -0.968 -4.613) 7.574 6.167 ( 5.358 -7.422 -9.051) 12.873 6.488 ( 17.835 26.562 -10.572) 33.696 7.017 ( 4.464 -0.886 3.337) 5.643 7.081 ( -6.501 -1.183 14.472) 15.909 7.283 ( 23.116 6.124 -18.590) 30.290 7.606 ( -4.807 -6.790 12.182) 14.752 7.802 ( -16.543 2.636 -17.298) 24.079 7.897 ( 7.212 -5.454 -21.893) 23.687 8.534 ( -4.221 12.059 6.241) 14.219 8.782 ( -0.295 -8.222 4.860) 9.556 8.907 ( 2.247 1.837 3.334) 4.420 9.283 ( 3.768 -6.129 -1.215) 7.297 9.530 ( 6.081 -2.141 -5.457) 8.447 10.064 ( 5.958 0.065 -10.908) 12.429 10.696 ( -8.770 11.892 14.960) 21.027 10.943 ( -17.781 1.521 5.387) 18.641 12.026 ( -5.741 -33.548 21.609) 40.316 12.230 ( -8.268 -46.779 43.150) 64.176 12.410 ( 3.714 4.189 -0.998) 5.687 12.725 ( -5.799 -12.936 14.791) 20.487 13.283 ( 3.090 2.509 1.062) 4.120 13.777 ( -7.483 -1.549 2.842) 8.153 15.504 ( 13.592 -3.435 -20.589) 24.909 15.917 ( 0.027 -27.802 11.042) 29.914 17.048 ( 0.475 9.066 -1.768) 9.249 17.748 ( -7.305 4.674 15.429) 17.699 18.501 ( -0.488 -0.943 5.161) 5.269 19.160 ( 126.981 54.308 41.985) 144.347 20.504 ( -74.613 -7.849 -52.918) 91.810 20.891 ( -35.803 7.755 -39.813) 54.102 ======================= Grid point 114 (42/227) ======================= q-point: ( 0.10 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -0.528 -0.000 35.471) 35.475 1.449 ( -14.646 -0.000 58.441) 60.248 1.878 ( 15.157 0.000 7.017) 16.702 2.228 ( 0.552 0.000 11.964) 11.977 2.265 ( 2.824 0.000 -4.013) 4.907 2.982 ( 69.568 0.000 31.424) 76.336 3.917 ( -1.426 -0.000 -7.570) 7.703 4.005 ( -38.874 -0.000 -27.255) 47.476 4.626 ( -11.811 -0.000 13.267) 17.763 4.780 ( 0.879 0.000 5.302) 5.375 5.309 ( -4.368 -0.000 -9.727) 10.662 5.478 ( 4.723 0.000 -20.154) 20.700 5.803 ( -1.647 -0.000 -2.378) 2.892 6.279 ( 1.437 0.000 -3.828) 4.089 7.058 ( 2.726 0.000 -4.477) 5.241 7.064 ( -10.658 -0.000 17.777) 20.727 7.298 ( -0.837 -0.000 -3.993) 4.080 7.731 ( -5.011 -0.000 12.269) 13.253 7.891 ( 10.914 0.000 -22.787) 25.266 8.354 ( -5.138 -0.000 7.252) 8.888 8.513 ( 20.715 0.000 -23.198) 31.101 8.939 ( 0.793 0.000 4.103) 4.179 8.992 ( -1.868 -0.000 5.973) 6.258 9.348 ( -6.290 -0.000 5.801) 8.557 9.566 ( -2.071 -0.000 -3.888) 4.405 10.004 ( -11.902 -0.000 0.781) 11.927 10.347 ( -10.982 -0.000 8.679) 13.997 11.329 ( 20.503 0.000 8.345) 22.137 11.371 ( -61.470 -0.000 39.903) 73.286 12.099 ( -6.210 -0.000 -3.656) 7.206 12.138 ( 5.282 0.000 -6.377) 8.280 12.763 ( -1.761 -0.000 6.256) 6.499 13.486 ( 11.130 0.000 3.485) 11.663 13.780 ( 4.199 0.000 -1.762) 4.554 15.662 ( -5.037 -0.000 -10.119) 11.303 15.945 ( 16.658 0.000 -0.115) 16.659 16.975 ( 1.669 0.000 -3.233) 3.638 17.018 ( 2.151 0.000 0.389) 2.186 17.783 ( -8.816 -0.000 19.114) 21.049 18.551 ( -2.626 -0.000 6.951) 7.430 20.477 ( -12.084 -0.000 -3.927) 12.706 22.885 ( 23.651 0.000 -38.712) 45.365 ======================= Grid point 115 (43/227) ======================= q-point: ( 0.20 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 4.503 -16.134 24.567) 29.734 1.923 ( -6.266 -24.331 32.863) 41.366 2.037 ( 6.907 -0.481 8.367) 10.861 2.291 ( 6.385 -4.964 12.539) 14.921 2.460 ( 4.282 -15.507 1.673) 16.174 3.414 ( -34.744 0.137 -24.470) 42.497 3.824 ( 32.676 -2.113 8.989) 33.956 3.928 ( 21.279 -2.303 3.160) 21.636 4.545 ( -6.146 4.550 9.772) 12.408 4.814 ( 1.753 1.009 4.800) 5.209 5.265 ( 0.284 -1.980 -5.705) 6.045 5.426 ( 5.725 1.022 -15.630) 16.677 5.919 ( -2.595 -15.002 -4.388) 15.844 6.197 ( 1.507 9.133 -3.803) 10.007 6.997 ( -7.670 3.374 10.906) 13.754 7.071 ( -2.613 0.392 5.448) 6.055 7.250 ( 0.696 2.710 -7.712) 8.204 7.622 ( -6.323 11.377 13.258) 18.579 7.889 ( 9.596 2.682 -19.441) 21.846 8.313 ( -1.607 4.741 -11.549) 12.588 8.507 ( -7.896 -3.401 -5.402) 10.154 8.881 ( -1.203 5.813 4.949) 7.728 9.051 ( -3.915 2.858 7.613) 9.025 9.177 ( -4.404 4.649 1.102) 6.498 9.525 ( -0.327 -0.590 -4.811) 4.858 9.918 ( -23.246 -9.384 9.224) 26.712 10.351 ( -6.107 -5.826 3.651) 9.196 11.108 ( -24.260 -8.396 24.230) 35.300 11.581 ( 15.095 -0.767 5.106) 15.953 12.022 ( 4.725 5.876 -1.451) 7.679 12.177 ( 4.441 -1.081 -5.172) 6.902 12.712 ( -1.293 8.091 6.688) 10.577 13.500 ( 12.605 15.741 3.943) 20.548 13.826 ( 5.528 -0.858 -4.287) 7.048 15.590 ( 5.384 0.692 -14.688) 15.659 16.080 ( 11.037 5.522 1.973) 12.498 17.048 ( 0.868 -10.320 -0.978) 10.403 17.276 ( -1.982 -23.355 -1.557) 23.490 17.808 ( -8.113 -3.274 17.103) 19.211 18.548 ( -2.567 1.143 6.599) 7.172 20.323 ( -9.501 0.008 -4.684) 10.593 22.704 ( 2.185 12.908 -26.245) 29.329 ======================= Grid point 116 (44/227) ======================= q-point: ( 0.30 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 7.099 -28.702 12.355) 32.044 1.931 ( 1.749 6.620 0.690) 6.882 2.412 ( 8.522 -4.455 10.264) 14.065 2.586 ( 2.984 -17.054 4.114) 17.795 2.940 ( -1.530 -29.467 16.416) 33.766 3.063 ( -8.681 -6.075 -5.051) 11.738 3.917 ( 1.336 -4.966 -4.670) 6.947 4.395 ( 16.550 5.261 0.852) 17.387 4.451 ( 4.969 2.433 6.527) 8.556 4.868 ( 5.513 -0.777 3.346) 6.495 5.283 ( 0.977 -1.715 -4.621) 5.025 5.434 ( 6.829 -0.583 -6.288) 9.301 6.018 ( 0.663 11.649 -1.930) 11.826 6.119 ( 1.187 -13.451 -4.053) 14.098 6.901 ( -10.058 3.126 10.417) 14.814 7.042 ( -2.892 3.041 6.094) 7.399 7.117 ( -0.230 10.967 -4.224) 11.754 7.441 ( -4.873 9.422 8.566) 13.634 7.775 ( 2.282 12.847 -7.710) 15.155 7.948 ( -17.170 7.941 -20.425) 27.840 8.535 ( -4.159 -4.792 5.340) 8.293 8.787 ( -2.418 6.938 6.324) 9.694 8.879 ( -4.858 5.466 2.233) 7.646 9.233 ( -1.077 -8.044 -5.697) 9.916 9.524 ( 0.016 -1.786 -3.298) 3.750 9.839 ( -20.501 -5.753 11.295) 24.104 10.397 ( -1.689 -4.832 -1.552) 5.349 11.242 ( -9.188 -15.632 14.663) 23.319 11.740 ( 5.847 -1.293 2.027) 6.322 12.003 ( 12.241 9.096 0.314) 15.254 12.223 ( 8.216 1.814 -1.764) 8.596 12.577 ( -1.191 10.775 7.355) 13.100 13.379 ( 10.637 17.512 3.472) 20.782 13.886 ( 4.940 -2.751 -6.823) 8.862 15.581 ( 7.859 0.545 -15.547) 17.429 16.041 ( 4.952 9.752 -2.786) 11.287 17.267 ( -0.216 -14.661 2.354) 14.850 17.612 ( -1.880 -21.630 0.267) 21.713 17.879 ( -7.963 -6.085 14.976) 18.020 18.529 ( -2.698 1.603 5.974) 6.748 20.233 ( -2.687 -0.398 -2.620) 3.774 22.355 ( -7.687 10.153 -19.461) 23.258 ======================= Grid point 117 (45/227) ======================= q-point: ( 0.40 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 1.875 4.250 3.213) 5.648 2.478 ( 6.628 -25.188 7.217) 27.027 2.548 ( 4.517 -2.676 4.940) 7.209 2.860 ( 6.050 -10.596 -2.240) 12.406 3.130 ( 15.805 -3.683 13.092) 20.851 3.563 ( 3.311 -22.298 6.365) 23.424 4.022 ( 3.670 -6.808 -1.344) 7.850 4.251 ( -3.147 9.713 3.964) 10.953 4.555 ( 2.853 0.720 -4.730) 5.570 4.972 ( -0.292 -7.479 -3.604) 8.307 5.278 ( 1.176 0.714 -4.474) 4.681 5.504 ( 3.763 -1.440 -0.535) 4.064 5.849 ( -1.264 9.012 1.874) 9.291 6.291 ( 1.298 -7.440 -6.618) 10.042 6.769 ( -17.467 0.004 7.731) 19.102 6.872 ( -1.136 12.681 -0.898) 12.764 6.996 ( -1.022 3.716 5.564) 6.768 7.314 ( -1.093 6.721 4.954) 8.421 7.448 ( -6.558 14.000 -3.318) 15.812 7.653 ( -6.777 7.781 -0.429) 10.328 8.557 ( 1.865 0.867 -3.056) 3.684 8.734 ( -3.364 -0.963 3.104) 4.677 8.805 ( -1.180 1.554 1.685) 2.578 9.288 ( -4.682 -7.210 -7.033) 11.107 9.532 ( -0.683 -1.605 -3.191) 3.637 9.762 ( -15.044 -2.482 12.381) 19.641 10.448 ( 1.612 -4.006 -5.723) 7.169 11.470 ( -4.265 -13.424 9.400) 16.934 11.768 ( -5.618 -1.527 -0.725) 5.866 11.993 ( 8.875 8.084 0.133) 12.005 12.283 ( 14.543 10.688 6.663) 19.239 12.473 ( 3.113 5.526 5.895) 8.659 13.262 ( 9.047 12.899 3.352) 16.109 13.945 ( 1.595 -4.794 -8.559) 9.939 15.570 ( 7.994 2.826 -14.407) 16.717 15.891 ( 1.973 8.538 -9.840) 13.176 17.491 ( -0.879 -11.516 3.500) 12.068 17.889 ( -4.669 -9.990 11.671) 16.056 17.999 ( -0.256 -12.086 5.253) 13.181 18.501 ( -3.666 1.229 5.817) 6.985 20.250 ( 4.742 -0.518 1.254) 4.932 22.020 ( -14.369 3.338 -17.650) 23.003 ======================= Grid point 118 (46/227) ======================= q-point: (-0.50 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 1.382 1.798 7.806) 8.128 2.531 ( -1.226 3.349 0.095) 3.568 2.908 ( 1.400 -7.591 -3.829) 8.617 3.075 ( -4.779 -16.602 14.108) 22.305 3.584 ( 27.982 -1.482 10.412) 29.893 3.717 ( 13.991 3.835 -1.428) 14.577 4.063 ( -4.314 9.800 -6.273) 12.410 4.170 ( -1.004 -4.005 -1.698) 4.464 4.494 ( -8.187 -3.812 -0.178) 9.032 5.079 ( -6.883 -11.330 1.857) 13.386 5.259 ( 3.840 1.354 -5.224) 6.623 5.529 ( 0.592 1.893 0.615) 2.077 5.698 ( -5.205 6.254 0.331) 8.143 6.297 ( 2.025 -2.697 -15.306) 15.673 6.650 ( -7.397 -0.328 5.518) 9.234 6.784 ( -5.830 -4.783 6.859) 10.193 6.966 ( 0.971 4.515 5.476) 7.164 7.201 ( -1.283 7.652 3.322) 8.439 7.289 ( -0.279 6.083 8.005) 10.058 7.515 ( -2.214 2.733 5.995) 6.951 8.538 ( 2.848 1.186 -7.109) 7.750 8.742 ( -0.227 -1.195 1.526) 1.951 8.809 ( 0.387 -0.787 1.581) 1.808 9.285 ( -6.558 -5.622 -6.848) 11.023 9.516 ( -1.078 -0.490 -5.627) 5.750 9.708 ( -11.760 -1.075 14.528) 18.722 10.496 ( 3.267 -3.060 -7.735) 8.937 11.650 ( -12.284 -6.168 1.190) 13.797 11.653 ( -5.922 -3.734 1.490) 7.158 11.950 ( 2.972 5.798 0.452) 6.531 12.257 ( 2.584 8.556 10.769) 13.995 12.563 ( 20.210 7.127 5.959) 22.243 13.227 ( 9.446 7.412 4.115) 12.692 13.967 ( -4.136 -5.039 -8.231) 10.499 15.505 ( 7.036 6.559 -13.889) 16.895 15.758 ( 4.021 3.071 -15.875) 16.662 17.632 ( -1.634 -5.686 2.737) 6.518 17.956 ( -10.265 -3.194 15.180) 18.601 18.299 ( 13.416 -8.660 3.174) 16.281 18.483 ( -2.343 -0.658 8.013) 8.375 20.354 ( 8.593 -0.306 4.585) 9.745 21.731 ( -20.232 -3.956 -18.687) 27.824 ======================= Grid point 119 (47/227) ======================= q-point: (-0.40 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 0.420 0.298 11.246) 11.258 2.407 ( -5.239 6.791 -2.891) 9.051 2.828 ( -12.595 2.832 -6.677) 14.534 3.100 ( -10.373 15.903 9.214) 21.104 3.366 ( -34.473 12.127 -16.414) 40.061 3.785 ( 1.227 -7.693 -9.370) 12.186 4.198 ( 22.284 -0.966 2.437) 22.438 4.357 ( 21.501 -4.814 14.133) 26.177 4.477 ( 1.738 5.571 9.219) 10.911 5.105 ( -6.054 3.514 7.116) 9.982 5.279 ( 3.388 -2.229 -1.998) 4.521 5.466 ( -1.642 4.312 1.431) 4.831 5.615 ( 6.251 0.649 -8.866) 10.867 6.336 ( 6.001 -5.822 -13.807) 16.141 6.657 ( -3.658 -4.390 5.935) 8.239 6.912 ( -0.200 -1.771 6.654) 6.889 6.965 ( 1.172 -6.507 3.912) 7.683 7.162 ( -1.562 -1.856 4.890) 5.458 7.209 ( 0.078 6.931 11.373) 13.319 7.602 ( -2.242 -10.597 4.312) 11.658 8.517 ( 2.452 0.216 -7.072) 7.488 8.780 ( 0.738 -1.488 1.341) 2.135 8.844 ( 3.308 -0.485 0.730) 3.422 9.253 ( -6.019 -3.753 -5.522) 8.989 9.465 ( -0.641 0.425 -8.624) 8.659 9.684 ( -11.061 -1.939 16.924) 20.311 10.536 ( 3.626 -2.036 -7.503) 8.578 11.413 ( -24.500 -1.251 -3.279) 24.750 11.762 ( -1.252 -2.823 4.591) 5.533 11.900 ( 1.159 2.169 0.149) 2.463 12.224 ( -2.650 2.502 10.253) 10.881 12.701 ( 21.217 10.645 5.755) 24.425 13.276 ( 10.132 4.257 4.870) 12.020 13.914 ( -9.743 -3.107 -5.418) 11.573 15.410 ( 8.556 4.706 -18.189) 20.644 15.707 ( 6.354 0.780 -16.253) 17.469 17.664 ( -2.094 0.291 1.704) 2.715 17.941 ( -10.241 0.041 14.726) 17.937 18.409 ( -2.564 -0.294 4.330) 5.041 18.748 ( 27.707 -2.269 12.652) 30.544 20.485 ( 7.788 -0.199 5.832) 9.732 21.467 ( -26.859 -9.927 -22.047) 36.139 ======================= Grid point 120 (48/227) ======================= q-point: (-0.30 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -4.554 -0.160 11.509) 12.378 2.082 ( -28.052 11.925 -13.201) 33.218 2.423 ( -19.149 12.360 -10.819) 25.229 2.662 ( -7.727 26.201 5.402) 27.845 2.721 ( -17.820 14.445 -5.231) 23.528 3.872 ( 0.286 8.668 1.231) 8.760 4.228 ( -1.736 10.225 8.397) 13.344 4.389 ( 2.687 -2.866 -3.159) 5.042 4.773 ( 8.143 3.724 11.244) 14.374 5.031 ( 8.350 7.713 14.060) 18.080 5.386 ( 4.575 -5.799 -4.675) 8.742 5.440 ( 3.616 -2.318 -1.331) 4.497 5.691 ( 10.295 -3.951 -9.967) 14.864 6.480 ( 2.771 -13.527 -6.886) 15.430 6.755 ( -1.137 -6.155 7.727) 9.944 6.943 ( 9.009 6.174 4.422) 11.783 7.019 ( 0.301 1.027 -0.496) 1.179 7.272 ( -0.745 -10.043 4.249) 10.930 7.346 ( 5.275 -8.043 11.933) 15.327 7.777 ( -6.448 -17.171 -6.957) 19.617 8.521 ( 2.982 -1.487 -6.419) 7.232 8.803 ( -1.708 -0.455 3.793) 4.184 8.914 ( 6.543 -0.235 0.514) 6.568 9.204 ( -4.933 -1.473 -4.962) 7.150 9.422 ( 1.608 -0.883 -8.338) 8.537 9.706 ( -11.496 -5.578 19.003) 22.900 10.567 ( 1.902 -1.745 -3.074) 4.014 11.126 ( -24.742 -1.024 -1.031) 24.785 11.711 ( -2.575 8.794 6.423) 11.190 11.959 ( 0.888 -6.829 -2.408) 7.295 12.231 ( -4.486 -2.124 10.401) 11.524 12.750 ( 14.173 11.992 2.663) 18.755 13.357 ( 9.254 3.451 4.420) 10.820 13.804 ( -11.286 -1.565 -1.623) 11.509 15.371 ( 10.683 0.520 -22.218) 24.658 15.693 ( 7.044 0.529 -14.122) 15.790 17.596 ( -1.480 6.378 0.763) 6.592 17.888 ( -9.673 2.099 15.873) 18.706 18.413 ( -2.986 -1.264 5.411) 6.308 19.221 ( 44.462 4.738 17.366) 47.967 20.576 ( 0.590 -0.570 2.990) 3.100 21.169 ( -33.460 -12.233 -26.525) 44.416 ======================= Grid point 121 (49/227) ======================= q-point: (-0.20 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -30.276 19.763 -9.270) 37.325 1.984 ( -4.454 16.481 11.135) 20.382 2.065 ( -4.283 12.812 2.089) 13.669 2.152 ( -1.255 23.734 0.075) 23.767 2.427 ( -7.395 7.313 2.174) 10.625 3.397 ( -8.281 42.558 15.628) 46.087 4.202 ( -1.502 1.313 6.639) 6.933 4.444 ( -0.409 -4.225 -4.261) 6.014 4.719 ( -4.162 3.982 6.932) 9.013 5.037 ( 1.242 8.083 4.779) 9.472 5.485 ( 6.142 -4.993 -14.042) 16.119 5.596 ( 3.489 -8.970 -3.090) 10.109 5.850 ( 7.571 -7.973 -8.761) 14.059 6.739 ( 0.616 -17.613 -1.531) 17.690 6.880 ( 3.134 -0.497 5.475) 6.328 6.909 ( -5.222 -0.695 4.261) 6.776 7.093 ( 7.554 -1.483 3.188) 8.332 7.490 ( 0.210 -15.423 -0.629) 15.437 7.564 ( 5.901 -3.695 8.025) 10.625 7.878 ( 1.727 -8.702 -23.703) 25.309 8.563 ( 3.373 -3.249 -5.592) 7.294 8.794 ( -3.470 2.036 6.975) 8.053 8.980 ( 5.156 1.870 1.209) 5.616 9.159 ( -1.899 -2.376 -4.421) 5.366 9.451 ( 4.810 -2.700 -6.305) 8.378 9.823 ( -9.830 -12.043 18.975) 24.530 10.624 ( -4.919 -5.906 11.773) 14.060 10.913 ( -14.500 -0.757 4.707) 15.264 11.527 ( -4.592 13.546 8.700) 16.741 12.048 ( 0.574 -4.755 -4.008) 6.245 12.327 ( -4.495 -9.680 10.525) 14.989 12.674 ( 4.622 11.241 -1.556) 12.254 13.398 ( 4.087 4.065 1.712) 6.014 13.717 ( -7.429 -1.778 1.567) 7.798 15.397 ( 11.991 -2.474 -22.475) 25.593 15.702 ( 6.582 -0.391 -10.941) 12.775 17.441 ( -0.370 11.808 0.199) 11.815 17.836 ( -8.684 2.390 17.898) 20.036 18.440 ( -2.334 -2.172 5.698) 6.529 19.837 ( 61.820 6.097 21.724) 65.809 20.380 ( -40.935 -1.837 -24.709) 47.850 20.892 ( -11.450 -4.748 -11.579) 16.962 ======================= Grid point 122 (50/227) ======================= q-point: (-0.10 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 49.993 15.909 29.989) 60.429 1.444 ( -1.771 37.536 11.074) 39.175 1.861 ( 2.296 15.881 2.360) 16.219 2.027 ( -5.867 -0.067 7.830) 9.784 2.281 ( -1.805 13.752 12.477) 18.656 2.685 ( -8.734 41.286 21.955) 47.570 4.139 ( -3.031 4.562 -1.601) 5.706 4.492 ( -4.893 -6.305 4.176) 9.007 4.678 ( -3.779 0.448 5.192) 6.437 4.898 ( -7.052 5.539 -1.264) 9.056 5.519 ( 6.062 -2.490 -20.948) 21.950 5.657 ( -9.009 -5.547 -12.034) 16.023 6.012 ( 3.904 -11.200 -8.935) 14.850 6.727 ( -6.277 10.571 -11.072) 16.545 6.979 ( -1.873 -10.187 -5.334) 11.650 7.004 ( -5.217 -6.013 15.257) 17.209 7.238 ( 0.033 -8.223 5.062) 9.657 7.605 ( -9.080 -4.009 -4.958) 11.095 7.742 ( 4.543 -11.896 -5.984) 14.070 7.928 ( 30.332 5.658 -19.831) 36.678 8.649 ( 0.901 -4.780 -1.725) 5.161 8.721 ( -2.347 5.393 8.108) 10.017 8.987 ( 1.375 2.379 3.421) 4.388 9.196 ( -0.222 -4.978 -2.129) 5.418 9.526 ( 5.240 -2.725 -5.919) 8.362 10.014 ( 0.344 -8.727 2.260) 9.021 10.763 ( -11.422 -5.340 25.400) 28.357 10.902 ( -3.369 -1.761 15.674) 16.129 11.383 ( -13.811 -7.425 26.930) 31.162 12.089 ( 0.586 -2.670 -3.902) 4.764 12.498 ( -4.186 8.460 -5.361) 10.855 12.521 ( -4.432 -13.037 9.670) 16.826 13.323 ( -4.889 4.037 -2.248) 6.727 13.709 ( -1.308 -1.512 2.294) 3.043 15.488 ( 12.846 -4.687 -17.835) 22.474 15.745 ( 4.371 -3.295 -6.818) 8.743 17.234 ( 0.400 13.546 -0.228) 13.554 17.804 ( -7.441 2.645 18.974) 20.552 18.480 ( -2.530 -2.054 5.161) 6.104 19.355 ( -73.804 23.805 -43.891) 89.107 20.578 ( 23.038 -4.225 10.624) 25.719 21.071 ( 59.521 -6.791 3.968) 60.038 ======================= Grid point 125 (51/227) ======================= q-point: ( 0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 5.483 0.000 28.431) 28.954 1.748 ( -11.061 -0.000 49.960) 51.170 2.261 ( 5.547 0.000 4.708) 7.275 2.287 ( 3.302 0.000 -5.537) 6.447 2.427 ( 10.973 0.000 10.682) 15.314 3.043 ( -8.900 -0.000 -13.351) 16.046 3.833 ( 2.379 0.000 -6.794) 7.198 4.431 ( 30.195 0.000 3.673) 30.417 4.561 ( -4.164 -0.000 5.055) 6.549 4.904 ( 7.482 0.000 3.836) 8.408 5.234 ( 2.061 0.000 -4.897) 5.313 5.464 ( 8.345 0.000 -3.191) 8.934 5.761 ( -0.111 -0.000 -2.353) 2.356 6.273 ( 1.637 0.000 -3.376) 3.752 6.952 ( -16.917 -0.000 15.596) 23.010 7.094 ( 0.590 0.000 4.210) 4.251 7.239 ( 4.152 0.000 -11.879) 12.584 7.736 ( -6.289 -0.000 12.798) 14.260 7.897 ( 10.498 0.000 -22.564) 24.886 8.174 ( -25.108 -0.000 -28.268) 37.808 8.326 ( -3.959 -0.000 7.332) 8.333 8.927 ( -6.411 -0.000 -0.416) 6.424 8.978 ( -1.914 -0.000 4.495) 4.886 9.273 ( -9.520 -0.000 13.592) 16.594 9.488 ( 0.720 0.000 -4.948) 5.000 9.600 ( -19.754 -0.000 17.093) 26.122 10.307 ( 2.826 0.000 -3.911) 4.825 10.906 ( -16.723 -0.000 21.481) 27.223 11.718 ( 6.909 0.000 0.191) 6.912 12.182 ( 4.773 0.000 -6.956) 8.436 12.221 ( 17.931 0.000 4.639) 18.522 12.801 ( -1.216 -0.000 6.472) 6.585 13.841 ( 3.932 0.000 -6.097) 7.255 13.855 ( 16.890 0.000 4.861) 17.575 15.580 ( 6.556 0.000 -15.241) 16.591 16.233 ( 3.219 0.000 3.600) 4.829 16.981 ( 1.636 0.000 -2.787) 3.232 17.089 ( 2.528 0.000 1.594) 2.989 17.768 ( -8.898 -0.000 15.655) 18.007 18.561 ( -2.786 -0.000 6.037) 6.648 20.226 ( -2.757 -0.000 -3.086) 4.138 22.565 ( -14.816 -0.000 -26.718) 30.551 ======================= Grid point 126 (52/227) ======================= q-point: ( 0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 4.887 -11.253 22.631) 25.742 2.060 ( -1.456 1.180 9.831) 10.008 2.287 ( -0.208 -22.405 27.014) 35.097 2.467 ( -2.645 -8.593 4.051) 9.861 2.692 ( 11.953 -10.568 7.289) 17.542 3.109 ( 25.455 0.265 1.921) 25.529 3.859 ( 3.558 -2.837 -4.755) 6.582 4.493 ( -4.073 3.964 1.855) 5.978 4.620 ( 8.628 1.826 -5.493) 10.390 4.958 ( 5.281 3.314 -7.657) 9.875 5.252 ( 2.213 -1.506 -3.665) 4.538 5.523 ( 5.619 3.849 3.273) 7.556 5.892 ( 0.967 -12.964 -0.316) 13.003 6.211 ( 3.098 7.946 -2.475) 8.880 6.770 ( -25.079 0.320 7.598) 26.207 7.107 ( -0.950 2.253 7.654) 8.035 7.218 ( 7.016 3.255 -13.995) 15.990 7.593 ( -10.714 12.501 7.615) 18.139 7.704 ( -18.269 2.848 -11.161) 21.597 7.891 ( 8.303 2.880 -19.325) 21.230 8.403 ( -4.217 -8.098 8.199) 12.271 8.842 ( -5.535 0.301 -0.272) 5.550 8.977 ( -7.211 4.210 5.838) 10.188 9.091 ( -5.805 6.972 6.370) 11.085 9.476 ( -0.523 -0.962 -2.636) 2.855 9.618 ( -10.361 -6.778 13.746) 18.500 10.343 ( 3.161 -2.463 -4.504) 6.029 10.972 ( -10.288 -13.260 17.967) 24.586 11.730 ( -4.173 -0.661 -4.128) 5.907 12.189 ( 6.677 2.403 -6.140) 9.384 12.496 ( 27.355 3.324 7.249) 28.493 12.754 ( -1.846 7.754 6.783) 10.466 13.816 ( 4.980 6.665 -2.806) 8.780 13.939 ( 14.698 12.760 0.511) 19.470 15.586 ( 7.788 -0.505 -15.079) 16.978 16.176 ( -3.597 6.467 -2.765) 7.900 17.069 ( 1.483 -10.631 -0.450) 10.744 17.291 ( 1.756 -18.504 1.320) 18.634 17.777 ( -8.848 -3.521 14.575) 17.410 18.548 ( -3.394 1.116 5.933) 6.926 20.238 ( 5.428 -0.208 0.868) 5.501 22.170 ( -22.341 4.049 -23.288) 32.525 ======================= Grid point 127 (53/227) ======================= q-point: ( 0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 1.181 4.217 3.849) 5.831 2.167 ( 1.514 -23.162 16.518) 28.488 2.543 ( -4.290 -5.406 1.593) 7.083 2.770 ( 7.800 -8.902 8.704) 14.692 3.173 ( 0.237 -33.388 15.211) 36.691 3.585 ( 47.418 -0.022 13.965) 49.431 3.952 ( 2.728 -5.772 0.419) 6.398 4.370 ( -1.285 7.228 -2.724) 7.831 4.517 ( -11.755 5.366 -16.738) 21.146 4.853 ( -7.196 0.621 -1.790) 7.441 5.276 ( 2.437 -0.537 -3.452) 4.259 5.535 ( 3.174 0.829 -0.683) 3.351 5.991 ( -0.548 3.637 -1.928) 4.152 6.116 ( -6.055 -1.461 -5.536) 8.334 6.560 ( -12.508 -3.487 2.154) 13.163 7.057 ( -0.286 9.308 -2.591) 9.667 7.114 ( 2.738 8.069 2.435) 8.862 7.379 ( -5.386 3.229 5.136) 8.113 7.530 ( -4.424 5.276 4.437) 8.192 7.767 ( 1.668 10.699 -7.060) 12.926 8.526 ( -2.083 -6.196 5.591) 8.601 8.763 ( -4.807 7.943 4.728) 10.419 8.799 ( -3.658 -0.070 -1.184) 3.845 9.069 ( -5.504 -5.138 -1.011) 7.597 9.474 ( -1.157 -1.623 -3.184) 3.756 9.661 ( -7.738 -2.686 13.093) 15.444 10.399 ( 3.835 -3.074 -6.229) 7.935 11.220 ( -6.650 -17.269 14.489) 23.503 11.605 ( -14.801 -1.418 -6.744) 16.327 12.179 ( 6.823 5.845 -4.542) 10.067 12.610 ( -2.080 11.138 7.190) 13.419 12.794 ( 30.074 6.920 8.100) 31.905 13.691 ( 9.816 19.112 3.662) 21.795 13.886 ( 4.108 3.816 -7.154) 9.090 15.605 ( 8.084 0.098 -14.132) 16.281 15.964 ( -4.256 8.236 -11.118) 14.476 17.292 ( -0.461 -14.176 2.134) 14.343 17.705 ( 8.879 -24.277 2.741) 25.995 17.819 ( -9.473 -5.313 13.459) 17.295 18.515 ( -3.961 1.770 6.552) 7.858 20.349 ( 9.897 -0.058 4.532) 10.885 21.716 ( -26.340 2.202 -20.904) 33.699 ======================= Grid point 128 (54/227) ======================= q-point: ( 0.50 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 0.346 2.816 9.555) 9.968 2.492 ( -5.935 -4.811 -0.877) 7.690 2.707 ( 0.387 -21.850 10.656) 24.313 2.891 ( -2.194 -0.629 1.271) 2.613 3.603 ( -2.079 -7.313 -6.563) 10.044 3.903 ( -30.223 7.679 -20.894) 37.536 4.158 ( 1.510 -10.984 4.059) 11.807 4.261 ( 39.542 2.163 11.216) 41.159 4.346 ( 7.935 -5.235 11.065) 14.587 4.854 ( -5.208 -7.781 6.511) 11.404 5.298 ( 5.148 0.604 -4.446) 6.829 5.561 ( 3.897 0.386 -3.469) 5.232 5.808 ( -0.723 11.882 -2.950) 12.264 6.108 ( -3.306 -9.037 -8.549) 12.872 6.575 ( -3.132 -3.676 3.397) 5.904 6.840 ( -1.454 11.981 0.425) 12.077 7.072 ( 0.025 4.092 7.091) 8.187 7.355 ( -1.974 1.648 8.698) 9.070 7.402 ( 0.495 11.401 2.473) 11.676 7.586 ( -3.588 6.834 4.124) 8.751 8.567 ( 2.158 2.146 -3.802) 4.870 8.696 ( -2.711 -2.905 3.317) 5.175 8.797 ( -1.178 -2.814 -0.138) 3.054 9.084 ( -5.272 -5.314 -1.243) 7.588 9.457 ( -1.284 -0.890 -5.768) 5.976 9.670 ( -7.619 -0.313 14.686) 16.548 10.459 ( 4.863 -2.945 -8.413) 10.154 11.360 ( -21.158 -2.673 -5.415) 22.003 11.498 ( -4.793 -12.927 9.874) 16.958 12.103 ( 4.098 8.917 -2.168) 10.050 12.450 ( -2.230 10.518 7.174) 12.925 13.028 ( 25.966 9.740 6.470) 28.477 13.543 ( 9.968 14.988 3.964) 18.431 13.831 ( -2.655 -0.493 -7.541) 8.010 15.595 ( 6.666 4.007 -13.510) 15.589 15.754 ( 0.790 3.847 -17.096) 17.541 17.495 ( -1.633 -10.976 1.989) 11.273 17.856 ( -9.613 -4.093 14.099) 17.549 18.269 ( 17.891 -20.496 3.522) 27.433 18.493 ( -1.387 -1.512 9.198) 9.424 20.491 ( 9.274 0.396 6.072) 11.093 21.283 ( -29.217 -1.586 -19.968) 35.424 ======================= Grid point 129 (55/227) ======================= q-point: (-0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -2.446 1.312 12.389) 12.696 2.410 ( -6.473 5.091 -6.391) 10.424 2.642 ( -22.334 6.525 -10.432) 25.499 3.098 ( -7.993 -13.245 16.833) 22.862 3.143 ( -19.708 12.934 -12.270) 26.575 3.684 ( 3.330 0.379 -13.115) 13.537 4.317 ( 11.097 -0.849 -8.133) 13.784 4.428 ( -3.022 -4.827 12.728) 13.944 4.847 ( 20.154 -0.795 11.434) 23.185 5.065 ( 6.166 -10.605 12.422) 17.458 5.312 ( 3.871 1.760 -3.195) 5.318 5.540 ( 1.072 5.119 -0.748) 5.283 5.673 ( 5.975 3.722 -7.040) 9.956 6.215 ( 4.368 -9.772 -12.904) 16.765 6.588 ( -4.077 -1.385 5.358) 6.874 6.743 ( -4.632 -3.667 7.751) 9.746 7.072 ( 1.672 0.739 5.152) 5.467 7.214 ( -0.551 9.794 3.593) 10.447 7.376 ( -0.456 3.309 9.644) 10.207 7.510 ( -4.455 1.024 5.308) 7.005 8.527 ( 2.764 1.986 -6.527) 7.361 8.749 ( -0.908 -3.213 2.217) 4.008 8.855 ( 2.280 -3.788 -0.397) 4.439 9.099 ( -4.677 -4.201 -0.713) 6.327 9.413 ( -0.250 -0.068 -9.034) 9.038 9.660 ( -8.394 0.520 17.081) 19.039 10.510 ( 5.118 -2.258 -9.284) 10.839 11.100 ( -21.572 -0.789 -2.535) 21.735 11.685 ( -2.001 -8.186 7.427) 11.232 11.993 ( 1.273 7.302 -0.154) 7.414 12.312 ( -3.210 7.363 7.445) 10.952 13.135 ( 17.257 11.685 2.907) 21.043 13.497 ( 8.695 7.151 2.881) 11.621 13.755 ( -6.497 -0.875 -4.758) 8.100 15.481 ( 5.967 5.813 -18.973) 20.721 15.699 ( 6.448 -0.227 -15.252) 16.561 17.613 ( -1.714 -5.112 1.573) 5.616 17.878 ( -9.364 -2.931 14.252) 17.303 18.409 ( -2.813 0.953 5.661) 6.393 19.008 ( 31.147 -18.720 10.640) 37.865 20.589 ( 2.845 1.202 3.684) 4.807 20.885 ( -29.375 -4.711 -18.100) 34.824 ======================= Grid point 130 (56/227) ======================= q-point: (-0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -16.046 15.134 -4.515) 22.514 2.027 ( -6.951 4.184 6.246) 10.239 2.462 ( 2.383 2.710 -0.586) 3.656 2.766 ( -6.785 15.275 -2.247) 16.864 3.019 ( -6.495 18.033 10.035) 21.635 3.804 ( 3.575 -12.643 -5.537) 14.258 4.379 ( 4.056 0.036 -8.515) 9.432 4.429 ( -1.974 7.506 7.995) 11.143 4.924 ( -3.414 5.983 7.185) 9.954 5.247 ( 2.834 1.096 6.040) 6.762 5.368 ( 4.470 -3.407 -1.495) 5.816 5.448 ( -0.618 5.999 -0.227) 6.035 5.706 ( 8.256 -1.430 -10.450) 13.395 6.322 ( 4.534 -6.061 -10.741) 13.140 6.656 ( -2.463 -6.610 6.116) 9.336 6.922 ( -2.253 -15.674 5.039) 16.618 7.113 ( 2.254 3.019 3.000) 4.816 7.163 ( -1.460 -4.604 2.835) 5.600 7.371 ( 1.663 -0.065 7.719) 7.896 7.496 ( -8.201 -3.881 6.647) 11.247 8.507 ( 2.966 0.199 -6.528) 7.173 8.788 ( -0.629 -1.515 1.654) 2.330 8.961 ( 5.517 -3.801 -0.337) 6.708 9.090 ( -5.520 -2.257 -1.148) 6.073 9.384 ( 3.298 -1.200 -9.131) 9.782 9.653 ( -9.049 -0.370 19.253) 21.276 10.548 ( 4.269 -1.642 -8.005) 9.220 10.914 ( -10.479 0.608 5.022) 11.636 11.784 ( -1.686 -1.778 5.373) 5.905 11.912 ( 0.263 2.829 -0.683) 2.922 12.234 ( -4.410 2.306 8.580) 9.919 13.073 ( 5.860 13.160 -2.017) 14.546 13.512 ( 4.341 3.237 -0.314) 5.424 13.680 ( -4.501 -0.232 1.100) 4.640 15.389 ( 8.773 2.271 -22.209) 23.987 15.705 ( 7.237 0.012 -13.659) 15.457 17.640 ( -1.379 0.489 1.889) 2.389 17.885 ( -7.853 -0.421 15.010) 16.946 18.398 ( -3.013 -0.090 6.310) 6.993 19.721 ( 32.508 -15.835 6.447) 36.730 20.375 ( -24.103 2.590 -13.192) 27.598 20.735 ( -3.384 -3.348 0.734) 4.816 ======================= Grid point 131 (57/227) ======================= q-point: (-0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 30.386 17.349 15.870) 38.421 1.982 ( -5.681 0.192 7.949) 9.772 2.440 ( 2.158 19.393 0.693) 19.525 2.459 ( 3.165 8.573 2.606) 9.503 2.639 ( 0.069 25.735 7.461) 26.795 3.891 ( -0.348 12.234 1.712) 12.359 4.241 ( -5.796 5.654 11.683) 14.215 4.365 ( 0.798 1.445 -11.413) 11.531 4.782 ( -5.839 6.577 3.648) 9.521 5.150 ( -11.826 9.695 1.950) 15.416 5.388 ( 1.939 -5.283 -6.469) 8.575 5.453 ( -1.251 -4.155 -6.220) 7.584 5.759 ( 3.163 -4.412 -11.492) 12.710 6.462 ( 1.766 -13.249 -6.499) 14.863 6.773 ( -4.443 -7.374 8.784) 12.299 7.003 ( -0.433 5.513 0.303) 5.538 7.111 ( -1.871 -1.738 1.403) 2.913 7.249 ( -5.007 -10.974 -1.798) 12.196 7.493 ( -10.654 -8.135 4.570) 14.162 7.669 ( 11.973 -17.465 1.941) 21.264 8.522 ( 3.052 -2.158 -6.584) 7.571 8.801 ( -1.962 -0.003 3.985) 4.442 9.036 ( -5.157 -0.219 -0.378) 5.176 9.087 ( 6.315 -3.137 -1.277) 7.166 9.435 ( 6.474 -2.752 -6.735) 9.739 9.691 ( -8.899 -4.766 21.776) 24.002 10.581 ( 1.849 -1.853 -2.541) 3.648 10.915 ( 6.175 1.843 11.604) 13.274 11.712 ( -3.208 9.654 5.669) 11.646 11.944 ( 0.720 -5.580 -3.257) 6.501 12.234 ( -4.758 -3.001 10.135) 11.592 12.846 ( -4.749 12.680 -6.554) 15.043 13.442 ( -5.955 2.631 -3.722) 7.500 13.695 ( 3.704 1.052 4.723) 6.093 15.379 ( 10.767 -1.728 -21.407) 24.025 15.717 ( 7.269 0.032 -12.648) 14.588 17.588 ( -0.258 6.216 1.679) 6.444 17.877 ( -6.491 1.674 17.315) 18.567 18.413 ( -2.654 -1.518 6.190) 6.904 19.679 ( -44.439 -0.009 -27.974) 52.511 20.503 ( 26.852 -1.122 12.160) 29.498 20.839 ( 18.437 -7.237 4.166) 20.240 ======================= Grid point 132 (58/227) ======================= q-point: (-0.10 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -6.295 -1.651 6.419) 9.141 2.014 ( 19.624 20.509 13.790) 31.558 2.114 ( 4.875 24.143 5.575) 25.253 2.335 ( 42.925 16.865 19.668) 50.138 2.527 ( 8.095 9.468 6.038) 13.843 3.434 ( -1.646 41.145 15.644) 44.049 4.176 ( -4.591 5.894 -0.030) 7.471 4.347 ( -3.464 -7.173 -1.864) 8.181 4.570 ( -23.531 2.387 -9.695) 25.562 4.858 ( -10.222 4.998 0.985) 11.421 5.421 ( -1.506 -0.525 -9.127) 9.266 5.456 ( 1.747 -4.415 -13.686) 14.486 5.834 ( 1.895 -9.218 -7.454) 12.005 6.627 ( -7.611 -5.967 -9.805) 13.772 6.805 ( -0.844 -2.440 -1.109) 2.810 6.950 ( -4.466 -3.960 11.936) 13.345 7.130 ( -5.858 -4.825 4.459) 8.803 7.375 ( -4.284 -11.429 -3.887) 12.810 7.571 ( -3.805 -10.430 6.082) 12.659 8.056 ( 16.399 -11.821 -13.559) 24.341 8.570 ( 2.292 -4.072 -5.774) 7.428 8.782 ( -4.233 1.764 7.331) 8.647 8.983 ( -5.837 -1.480 0.930) 6.093 9.181 ( 6.647 0.289 -1.517) 6.824 9.513 ( 4.864 -1.941 -5.016) 7.252 9.861 ( -4.430 -11.931 18.328) 22.313 10.632 ( -6.081 -4.555 11.680) 13.934 11.097 ( 17.732 2.191 13.241) 22.239 11.506 ( -4.919 13.736 7.648) 16.473 12.015 ( 0.210 -4.444 -4.487) 6.319 12.336 ( -5.134 -9.465 9.635) 14.449 12.518 ( -11.319 10.219 -8.967) 17.690 13.279 ( -9.031 2.935 -4.054) 10.325 13.748 ( 5.795 1.813 2.266) 6.481 15.461 ( 11.653 -4.800 -16.958) 21.128 15.744 ( 7.880 -1.078 -10.901) 13.494 17.452 ( 0.378 11.917 1.680) 12.041 17.871 ( -5.786 2.585 19.058) 20.084 18.439 ( -3.587 -1.443 3.749) 5.386 18.873 ( -42.828 17.527 -22.327) 51.380 20.579 ( -7.374 -0.754 0.235) 7.417 21.539 ( 48.127 -16.999 4.317) 51.223 ======================= Grid point 136 (59/227) ======================= q-point: ( 0.30 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 3.835 0.000 22.330) 22.657 1.978 ( -12.942 -0.000 43.949) 45.814 2.292 ( -7.057 -0.000 10.217) 12.418 2.298 ( 2.233 0.000 -3.731) 4.348 2.836 ( 14.285 0.000 6.057) 15.516 3.592 ( 48.148 0.000 10.758) 49.336 3.857 ( 4.090 0.000 -3.802) 5.584 4.483 ( -2.668 -0.000 -2.581) 3.713 4.616 ( -5.891 -0.000 -14.442) 15.597 4.927 ( -7.295 -0.000 -10.881) 13.100 5.253 ( 4.019 0.000 -3.804) 5.534 5.636 ( -6.033 -0.000 7.804) 9.864 5.746 ( 1.122 0.000 -2.427) 2.674 6.300 ( 2.551 0.000 -2.187) 3.360 6.509 ( -17.228 -0.000 0.296) 17.230 7.149 ( -1.290 -0.000 5.484) 5.633 7.267 ( 9.233 0.000 -11.316) 14.605 7.465 ( -11.917 -0.000 -1.886) 12.065 7.716 ( -7.423 -0.000 13.066) 15.028 7.887 ( 8.994 0.000 -20.902) 22.755 8.333 ( -1.767 -0.000 6.207) 6.454 8.738 ( -7.304 -0.000 -2.789) 7.818 8.955 ( -3.743 -0.000 3.768) 5.311 9.169 ( -10.260 -0.000 9.758) 14.159 9.498 ( -6.903 -0.000 13.581) 15.235 9.515 ( 2.622 0.000 1.334) 2.942 10.333 ( 3.312 0.000 -5.068) 6.055 10.841 ( -9.495 -0.000 19.200) 21.420 11.582 ( -14.205 -0.000 -8.687) 16.651 12.252 ( 7.962 0.000 -7.047) 10.633 12.827 ( -2.970 -0.000 6.878) 7.491 12.914 ( 31.389 0.000 8.099) 32.417 13.823 ( 0.461 0.000 -5.683) 5.701 14.340 ( 20.050 0.000 3.601) 20.370 15.594 ( 7.918 0.000 -13.460) 15.617 16.115 ( -9.789 -0.000 -7.554) 12.365 16.993 ( 1.739 0.000 -1.997) 2.648 17.145 ( 1.455 0.000 0.565) 1.561 17.740 ( -6.268 -0.000 14.611) 15.899 18.549 ( -3.844 -0.000 6.596) 7.634 20.349 ( 10.512 0.000 4.646) 11.493 21.773 ( -28.902 -0.000 -22.505) 36.631 ======================= Grid point 137 (60/227) ======================= q-point: ( 0.40 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -1.938 -7.223 19.455) 20.843 2.107 ( -5.119 2.704 13.473) 14.664 2.370 ( -5.491 -7.596 2.730) 9.762 2.553 ( -3.839 -32.336 25.278) 41.223 3.009 ( 9.317 -0.290 3.338) 9.902 3.906 ( 2.096 -2.841 -1.287) 3.757 4.162 ( -36.192 4.783 -31.653) 48.318 4.236 ( 46.943 -0.322 12.497) 48.579 4.446 ( 0.220 2.728 -2.143) 3.476 4.811 ( -5.549 1.392 4.753) 7.438 5.304 ( 7.548 -0.086 -2.420) 7.927 5.580 ( 1.271 1.362 -0.954) 2.093 5.823 ( -1.146 -7.617 -2.810) 8.199 6.206 ( -0.100 9.365 -5.901) 11.069 6.465 ( 0.496 -2.202 2.881) 3.660 7.136 ( -0.626 2.659 0.625) 2.802 7.276 ( 5.430 5.625 -5.623) 9.630 7.374 ( -5.612 0.643 7.061) 9.043 7.617 ( -6.407 7.202 13.089) 16.256 7.867 ( 7.245 3.298 -17.995) 19.677 8.417 ( -1.953 -7.282 7.112) 10.365 8.672 ( -5.936 -3.149 -2.258) 7.089 8.889 ( -5.180 6.860 4.043) 9.499 9.034 ( -6.409 4.599 7.112) 10.621 9.452 ( -1.000 2.026 1.862) 2.928 9.613 ( -2.766 -3.693 9.114) 10.215 10.362 ( 2.924 -2.360 -5.419) 6.595 10.965 ( -7.601 -13.936 18.207) 24.155 11.334 ( -20.285 -0.843 -9.382) 22.366 12.295 ( 8.102 2.003 -6.848) 10.796 12.763 ( -3.890 7.290 7.140) 10.921 13.266 ( 27.695 4.146 6.106) 28.662 13.788 ( -0.865 1.010 -3.086) 3.360 14.352 ( 15.906 24.282 0.263) 29.029 15.621 ( 7.704 -0.336 -11.820) 14.113 15.919 ( -7.513 3.465 -14.597) 16.779 17.091 ( 0.626 -10.233 -0.264) 10.255 17.375 ( 3.841 -23.964 0.542) 24.275 17.784 ( -1.951 -1.955 15.003) 15.255 18.531 ( -4.010 1.200 7.231) 8.355 20.503 ( 10.322 0.260 6.575) 12.241 21.306 ( -29.444 1.432 -19.641) 35.423 ======================= Grid point 138 (61/227) ======================= q-point: ( 0.50 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -2.791 2.563 10.312) 10.986 2.269 ( -4.347 -16.253 10.215) 19.683 2.444 ( -4.344 -11.079 5.109) 12.951 2.943 ( -4.072 7.680 -2.620) 9.079 3.253 ( -6.137 -31.120 9.452) 33.097 3.477 ( -28.341 1.352 -19.748) 34.569 3.999 ( -2.518 -6.831 6.892) 10.025 4.416 ( 5.595 2.828 -3.287) 7.078 4.768 ( 10.073 -2.413 8.865) 13.633 4.785 ( 13.649 -1.585 5.963) 14.979 5.403 ( 13.498 2.651 -0.449) 13.763 5.594 ( 4.732 0.157 -5.297) 7.104 5.929 ( 3.592 -6.190 -5.934) 9.297 5.999 ( 1.473 12.087 -4.418) 12.953 6.523 ( -0.242 -2.278 2.273) 3.228 7.032 ( 0.781 10.530 -3.336) 11.073 7.164 ( -4.095 6.490 5.270) 9.309 7.371 ( -3.604 -0.508 9.547) 10.217 7.547 ( -1.346 3.478 6.654) 7.628 7.726 ( 1.669 12.118 -7.139) 14.163 8.553 ( -1.161 -6.563 6.052) 9.002 8.679 ( -3.425 -4.451 -0.380) 5.629 8.711 ( -2.690 6.765 0.523) 7.299 8.996 ( -3.792 -1.866 2.704) 5.017 9.418 ( -0.186 0.968 -4.365) 4.475 9.660 ( -4.813 -1.160 11.169) 12.217 10.412 ( 3.465 -3.518 -7.482) 8.965 11.069 ( -17.842 -1.072 -3.229) 18.163 11.252 ( -6.356 -17.455 14.993) 23.872 12.279 ( 6.237 7.079 -4.865) 10.615 12.612 ( -4.062 9.611 6.590) 12.341 13.463 ( 18.961 8.079 2.318) 20.741 13.744 ( -1.304 1.834 0.520) 2.309 14.049 ( 8.570 27.131 -3.069) 28.617 15.644 ( 6.837 1.273 -12.163) 14.011 15.712 ( -0.694 3.226 -19.470) 19.747 17.284 ( -1.049 -13.356 0.715) 13.416 17.733 ( -6.993 -10.216 9.772) 15.772 18.103 ( 16.401 -26.071 6.008) 31.382 18.504 ( -3.674 0.764 8.247) 9.060 20.627 ( 6.146 0.925 6.046) 8.671 20.867 ( -24.745 2.080 -15.043) 29.033 ======================= Grid point 139 (62/227) ======================= q-point: (-0.40 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -7.471 1.972 9.793) 12.474 2.383 ( 1.019 -0.606 -3.042) 3.264 2.532 ( -9.998 12.801 -5.739) 17.227 2.775 ( -6.479 -24.532 14.838) 29.393 3.158 ( -2.140 7.929 -4.681) 9.453 3.643 ( 2.699 -7.366 -8.436) 11.520 4.214 ( -5.939 -17.245 13.181) 22.503 4.442 ( 6.123 0.948 -2.538) 6.696 4.809 ( -5.609 -7.091 8.454) 12.378 5.106 ( 8.126 -9.157 2.407) 12.477 5.451 ( 7.170 8.172 -1.289) 10.948 5.601 ( 3.541 1.404 -7.044) 8.008 5.815 ( 4.305 9.297 -3.948) 10.980 6.062 ( 4.418 -6.677 -6.832) 10.525 6.555 ( -2.101 -1.825 3.262) 4.288 6.826 ( -1.157 12.231 2.706) 12.580 7.076 ( -5.417 -0.008 1.661) 5.666 7.398 ( -3.357 -0.751 10.169) 10.735 7.443 ( 0.292 14.464 1.063) 14.506 7.544 ( -3.656 4.013 3.374) 6.391 8.574 ( 2.364 3.981 -4.711) 6.606 8.684 ( -2.404 -5.123 5.346) 7.784 8.768 ( 0.628 -7.226 -0.763) 7.293 9.005 ( -3.551 -2.986 0.607) 4.679 9.372 ( 1.306 0.400 -9.161) 9.262 9.669 ( -6.656 0.254 14.916) 16.335 10.468 ( 4.134 -3.583 -9.550) 11.006 10.935 ( -6.084 0.391 6.526) 8.931 11.523 ( -4.632 -14.105 12.466) 19.385 12.163 ( 2.986 11.086 -1.610) 11.593 12.448 ( -3.881 9.442 5.495) 11.594 13.464 ( 7.339 10.845 -2.556) 13.342 13.704 ( -2.793 3.980 -2.130) 5.308 13.751 ( 5.674 14.000 1.019) 15.141 15.521 ( 5.020 5.207 -22.150) 23.301 15.689 ( 6.809 -0.999 -13.159) 14.850 17.474 ( -1.102 -10.966 0.873) 11.056 17.804 ( -7.416 -3.747 13.880) 16.177 18.429 ( -2.181 0.931 5.063) 5.591 18.870 ( 10.976 -34.068 0.778) 35.801 20.519 ( -9.767 5.357 -6.253) 12.775 20.697 ( -0.089 0.254 4.055) 4.064 ======================= Grid point 140 (63/227) ======================= q-point: (-0.30 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -7.291 1.763 6.033) 9.626 2.295 ( 22.664 16.206 8.374) 29.093 2.516 ( 3.747 -1.277 4.448) 5.954 2.979 ( 4.334 13.189 -2.100) 14.041 3.095 ( -7.451 -10.735 17.510) 21.849 3.661 ( 5.830 -1.998 -12.825) 14.229 4.355 ( -0.972 -2.513 -5.004) 5.684 4.481 ( -1.539 -0.805 4.010) 4.370 4.921 ( -6.223 -4.704 8.112) 11.255 5.250 ( -7.800 -4.053 -0.821) 8.828 5.350 ( 1.351 3.346 -1.137) 3.784 5.525 ( -3.509 5.679 -4.861) 8.257 5.721 ( 1.667 2.839 -9.322) 9.886 6.211 ( 6.362 -9.700 -11.101) 16.056 6.578 ( -2.066 -2.521 6.182) 6.988 6.735 ( -3.858 -2.910 8.906) 10.132 7.048 ( -5.402 -3.923 -2.526) 7.138 7.225 ( -1.997 9.843 2.752) 10.414 7.429 ( -7.379 2.598 7.255) 10.670 7.455 ( -0.869 0.969 5.443) 5.596 8.529 ( 3.157 2.139 -5.944) 7.062 8.755 ( -0.837 -3.177 2.845) 4.346 8.901 ( 1.150 -6.947 -0.427) 7.055 9.011 ( -1.430 -2.572 -0.986) 3.103 9.367 ( 5.662 -1.417 -8.860) 10.610 9.666 ( -7.635 0.874 18.301) 19.849 10.515 ( 3.983 -2.889 -9.582) 10.772 10.992 ( 9.065 2.590 15.532) 18.170 11.710 ( -3.345 -8.105 8.433) 12.165 12.014 ( 0.856 9.101 -0.549) 9.158 12.295 ( -4.714 6.765 6.395) 10.435 13.257 ( -5.458 12.561 -7.837) 15.779 13.524 ( -4.478 4.876 -6.703) 9.421 13.763 ( 6.396 3.044 7.863) 10.583 15.405 ( 8.179 3.252 -23.889) 25.459 15.711 ( 7.169 -0.570 -13.379) 15.189 17.601 ( -0.588 -5.300 1.545) 5.552 17.855 ( -6.302 -2.979 15.307) 16.819 18.407 ( -2.741 1.091 5.941) 6.634 19.294 ( -21.027 -24.864 -16.906) 36.690 20.520 ( 22.901 2.779 9.622) 24.995 20.699 ( -0.480 -1.342 2.762) 3.108 ======================= Grid point 141 (64/227) ======================= q-point: (-0.20 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -6.233 -0.590 5.200) 8.138 2.419 ( 12.817 11.187 9.346) 19.410 2.619 ( 17.387 4.322 7.984) 19.614 2.900 ( 23.914 15.381 5.312) 28.925 3.068 ( 3.345 17.534 15.383) 23.564 3.796 ( 2.178 -13.695 -8.285) 16.154 4.290 ( -1.168 3.067 -8.626) 9.230 4.418 ( -7.766 5.666 3.167) 10.122 4.742 ( -22.288 7.136 -7.385) 24.540 5.119 ( -13.694 6.253 5.957) 16.190 5.316 ( -0.415 -0.886 -2.404) 2.595 5.416 ( 0.325 0.098 -1.413) 1.454 5.680 ( 2.463 -1.105 -11.157) 11.478 6.315 ( 5.530 -4.746 -12.119) 14.141 6.675 ( -2.191 -5.668 7.637) 9.759 6.928 ( -2.444 -16.270 5.383) 17.311 7.015 ( -7.427 -2.428 -1.239) 7.911 7.136 ( -2.139 3.962 0.249) 4.509 7.296 ( -8.775 -0.542 8.829) 12.460 7.561 ( 0.427 -9.617 6.439) 11.581 8.512 ( 3.486 0.627 -6.271) 7.202 8.796 ( -0.428 -1.135 2.010) 2.348 8.922 ( -6.303 -2.564 -2.050) 7.106 9.122 ( 8.475 -4.398 -0.304) 9.553 9.443 ( 8.075 -2.488 -6.601) 10.722 9.674 ( -7.608 -0.578 20.478) 21.853 10.553 ( 3.170 -2.466 -6.869) 7.957 11.195 ( 17.860 3.821 17.797) 25.501 11.792 ( -2.889 -0.582 5.795) 6.501 11.903 ( 0.455 3.382 -2.264) 4.095 12.211 ( -5.735 1.210 8.531) 10.351 12.887 ( -14.238 12.320 -11.297) 21.958 13.359 ( -8.702 2.628 -5.950) 10.865 13.845 ( 8.549 3.343 6.953) 11.515 15.360 ( 9.726 -0.593 -22.171) 24.218 15.729 ( 7.436 -0.357 -13.778) 15.661 17.649 ( 0.074 0.230 2.578) 2.590 17.910 ( -5.037 -1.048 16.723) 17.496 18.402 ( -2.322 -0.182 5.441) 5.919 19.070 ( -33.434 -4.815 -19.079) 38.794 20.579 ( -7.241 0.659 0.487) 7.287 21.125 ( 38.512 -9.656 10.121) 40.974 ======================= Grid point 142 (65/227) ======================= q-point: (-0.10 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -5.950 -1.551 4.076) 7.377 2.344 ( 2.908 7.985 3.032) 9.023 2.633 ( 7.046 23.618 5.567) 25.268 2.828 ( 7.830 12.485 5.981) 15.905 3.260 ( 43.511 13.333 19.747) 49.608 3.921 ( 5.088 3.047 -2.980) 6.637 4.074 ( -38.260 3.517 -17.133) 42.068 4.194 ( -0.423 0.192 -11.134) 11.144 4.315 ( -9.516 11.982 12.457) 19.730 4.925 ( -1.468 9.659 6.524) 11.748 5.337 ( -0.113 -3.274 -7.730) 8.396 5.428 ( 2.753 0.617 -2.004) 3.461 5.703 ( 1.331 -4.999 -4.189) 6.657 6.412 ( 2.646 -8.099 -11.998) 14.716 6.769 ( -3.146 -3.395 8.233) 9.445 6.909 ( -7.846 3.300 3.393) 9.164 7.034 ( -4.724 -1.263 2.419) 5.456 7.143 ( -1.923 -11.691 1.670) 11.965 7.383 ( -6.431 -10.458 9.222) 15.355 7.831 ( -0.115 -19.444 -3.953) 19.843 8.523 ( 3.189 -1.250 -6.250) 7.127 8.799 ( -1.767 1.103 3.513) 4.084 8.878 ( -5.770 -2.329 -1.279) 6.352 9.267 ( 8.822 -0.786 -1.392) 8.965 9.526 ( 5.255 -0.987 -3.909) 6.624 9.769 ( -3.149 -6.837 18.871) 20.317 10.592 ( 0.833 -1.724 -0.867) 2.102 11.434 ( 17.830 3.563 14.085) 23.000 11.682 ( -3.841 10.346 3.888) 11.701 11.922 ( -0.353 -3.806 -3.426) 5.133 12.199 ( -9.591 -3.364 7.251) 12.485 12.477 ( -12.789 8.561 -8.790) 17.723 13.186 ( -8.738 1.743 -4.236) 9.866 13.905 ( 8.795 5.054 2.036) 10.346 15.418 ( 10.399 -5.077 -16.875) 20.461 15.755 ( 8.074 -1.280 -12.926) 15.294 17.616 ( 0.091 6.354 3.031) 7.040 17.946 ( -4.958 1.379 18.481) 19.184 18.393 ( -5.539 0.929 -1.310) 5.767 18.615 ( -22.599 6.786 -7.096) 24.639 20.461 ( -10.388 0.190 -2.308) 10.643 21.755 ( 30.849 -13.083 1.789) 33.557 ======================= Grid point 147 (66/227) ======================= q-point: ( 0.40 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -3.914 -0.000 11.007) 11.683 2.100 ( -16.164 -0.000 41.809) 44.825 2.241 ( -8.154 -0.000 15.905) 17.873 2.328 ( 2.126 0.000 0.522) 2.189 3.142 ( 7.971 0.000 1.434) 8.099 3.535 ( -40.446 -0.000 -29.539) 50.085 3.910 ( 1.395 0.000 -0.048) 1.395 4.466 ( 2.719 0.000 -3.426) 4.374 4.725 ( 25.716 0.000 5.913) 26.387 4.797 ( -4.956 -0.000 7.268) 8.797 5.446 ( 16.610 0.000 1.008) 16.641 5.596 ( 3.089 0.000 -4.302) 5.296 5.790 ( 7.697 0.000 -2.483) 8.088 6.258 ( 1.022 0.000 -5.798) 5.887 6.487 ( 2.030 0.000 2.506) 3.225 7.136 ( -3.249 -0.000 -0.289) 3.262 7.344 ( 4.559 0.000 -8.660) 9.786 7.356 ( -5.603 -0.000 9.861) 11.342 7.686 ( -7.421 -0.000 13.724) 15.602 7.875 ( 8.618 0.000 -18.252) 20.184 8.371 ( 0.023 0.000 4.241) 4.241 8.578 ( -3.991 -0.000 -1.238) 4.179 8.898 ( -3.428 -0.000 1.492) 3.739 9.034 ( -8.399 -0.000 6.127) 10.396 9.506 ( -4.823 -0.000 12.068) 12.996 9.584 ( 0.478 0.000 0.376) 0.608 10.343 ( 2.085 0.000 -4.905) 5.330 10.858 ( -7.632 -0.000 20.284) 21.672 11.059 ( -17.266 -0.000 -4.692) 17.892 12.362 ( 8.131 0.000 -8.194) 11.544 12.811 ( -5.023 -0.000 7.536) 9.057 13.595 ( 19.278 0.000 1.904) 19.371 13.782 ( -0.382 -0.000 0.316) 0.496 14.741 ( 13.053 0.000 -5.034) 13.990 15.651 ( 6.430 0.000 -7.924) 10.205 15.775 ( -4.572 -0.000 -18.503) 19.060 17.016 ( 1.357 0.000 -0.769) 1.560 17.177 ( 1.240 0.000 -0.545) 1.354 17.846 ( 0.908 0.000 14.890) 14.918 18.534 ( -3.976 -0.000 7.203) 8.228 20.642 ( 6.667 0.000 6.615) 9.392 20.915 ( -22.985 -0.000 -14.526) 27.190 ======================= Grid point 148 (67/227) ======================= q-point: ( 0.50 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -3.897 -6.295 10.239) 12.635 2.087 ( -12.048 -0.004 20.806) 24.043 2.331 ( -1.345 -3.896 5.891) 7.190 2.664 ( -8.720 -35.263 21.798) 42.364 2.971 ( -9.582 10.818 -11.033) 18.181 3.248 ( -0.623 -2.172 -4.734) 5.246 3.945 ( -0.165 -2.138 3.105) 3.774 4.481 ( 4.394 0.653 -3.951) 5.945 4.770 ( -4.632 1.442 7.869) 9.245 4.929 ( 6.988 -2.545 0.305) 7.443 5.596 ( 8.411 0.989 -0.762) 8.503 5.613 ( 3.811 -0.221 -5.303) 6.534 5.933 ( 12.155 -1.823 -3.551) 12.794 6.169 ( 2.012 8.880 -6.181) 11.005 6.514 ( -0.068 -0.439 1.418) 1.486 7.059 ( -7.637 0.644 -1.411) 7.792 7.265 ( 0.562 7.484 -7.726) 10.771 7.363 ( -4.083 -0.871 8.160) 9.166 7.619 ( -5.916 5.084 13.055) 15.208 7.857 ( 8.468 4.592 -16.668) 19.251 8.454 ( -1.227 -6.712 5.731) 8.911 8.576 ( -0.759 -3.735 0.186) 3.815 8.827 ( -3.362 7.071 2.896) 8.348 8.942 ( -6.076 1.157 3.499) 7.106 9.436 ( -1.739 4.678 -2.134) 5.428 9.622 ( -4.243 -3.726 6.046) 8.273 10.357 ( 1.599 -2.407 -5.253) 5.995 10.940 ( -3.649 0.022 7.837) 8.645 11.005 ( -6.801 -13.865 19.631) 24.977 12.392 ( 6.976 1.936 -8.188) 10.930 12.730 ( -5.717 7.125 7.757) 11.984 13.714 ( 7.547 4.291 -3.202) 9.253 13.781 ( 0.800 1.814 3.997) 4.461 14.569 ( 5.804 27.109 -7.300) 28.668 15.640 ( 2.195 0.853 -20.691) 20.825 15.670 ( 5.089 0.838 -10.151) 11.386 17.096 ( 0.142 -8.755 -0.343) 8.763 17.423 ( -0.218 -24.009 1.431) 24.052 17.971 ( -0.169 -8.114 10.078) 12.939 18.518 ( -3.853 1.013 7.076) 8.120 20.658 ( -6.868 2.664 -5.679) 9.302 20.715 ( 0.791 0.490 4.821) 4.910 ======================= Grid point 149 (68/227) ======================= q-point: (-0.40 -0.60 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -8.499 2.341 7.350) 11.478 2.317 ( -0.572 -16.714 7.353) 18.269 2.449 ( -3.131 -10.126 11.809) 15.868 2.809 ( 17.863 13.951 3.594) 22.948 3.220 ( -2.432 -9.721 -0.630) 10.041 3.297 ( 2.168 -23.588 8.210) 25.070 4.012 ( -3.602 -5.746 9.167) 11.403 4.495 ( 2.915 0.791 -3.690) 4.768 4.746 ( -3.159 0.103 7.331) 7.983 5.017 ( -2.450 -5.376 -1.136) 6.017 5.592 ( -3.828 4.449 -2.003) 6.202 5.610 ( 4.020 1.619 -7.741) 8.872 5.978 ( -0.251 8.594 -10.068) 13.239 6.002 ( 0.736 0.038 -3.230) 3.313 6.524 ( -1.243 -1.427 1.665) 2.521 6.966 ( -5.456 -1.177 -4.096) 6.923 7.055 ( -0.428 13.842 -4.040) 14.426 7.377 ( -4.883 -1.337 9.681) 10.925 7.559 ( -4.240 2.424 6.944) 8.489 7.711 ( 4.411 14.747 -8.246) 17.462 8.582 ( -2.168 -7.263 6.406) 9.924 8.666 ( -1.870 6.002 0.694) 6.324 8.676 ( 2.624 -4.513 1.490) 5.429 8.917 ( -3.064 -2.707 -0.963) 4.200 9.352 ( 2.059 0.939 -9.672) 9.933 9.661 ( -5.419 -1.990 12.160) 13.461 10.396 ( 2.230 -3.919 -7.522) 8.770 11.052 ( 10.729 1.033 18.512) 21.421 11.286 ( -6.005 -16.733 16.936) 24.553 12.353 ( 4.810 7.623 -5.705) 10.668 12.565 ( -6.121 9.063 6.742) 12.848 13.598 ( -5.175 8.092 -8.578) 12.878 13.779 ( 1.453 4.656 5.406) 7.281 14.105 ( 0.964 26.238 -5.269) 26.779 15.533 ( 7.178 3.566 -24.334) 25.620 15.682 ( 6.100 -0.933 -11.805) 13.321 17.272 ( -0.393 -12.864 0.296) 12.873 17.714 ( -4.256 -9.516 11.041) 15.184 18.246 ( -7.842 -27.767 -6.529) 29.582 18.501 ( -4.651 -1.210 7.307) 8.746 20.646 ( 15.243 4.060 5.084) 16.574 20.702 ( -4.062 0.735 2.525) 4.839 ======================= Grid point 150 (69/227) ======================= q-point: (-0.30 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -6.882 2.000 4.500) 8.462 2.543 ( 3.468 -4.050 4.688) 7.100 2.738 ( -6.227 -21.091 11.234) 24.695 2.842 ( 9.211 5.702 5.860) 12.317 3.335 ( 29.036 7.907 2.633) 30.208 3.664 ( 8.805 -6.188 -3.414) 11.291 4.170 ( -7.643 -13.959 9.902) 18.744 4.468 ( -2.832 1.784 -0.484) 3.382 4.803 ( -2.771 -5.224 6.302) 8.642 4.939 ( -27.159 -4.763 -3.357) 27.777 5.400 ( -5.562 3.125 -3.854) 7.454 5.554 ( 1.683 5.368 -7.356) 9.260 5.751 ( -0.607 8.208 -9.349) 12.455 6.094 ( 5.273 -8.121 -2.725) 10.059 6.561 ( -0.717 -2.526 3.932) 4.728 6.821 ( -1.230 11.225 0.340) 11.297 6.923 ( -2.469 -1.437 -4.388) 5.236 7.383 ( -5.702 1.350 7.180) 9.268 7.449 ( -1.404 13.527 3.286) 13.991 7.501 ( -2.086 4.407 1.845) 5.213 8.574 ( 2.133 3.214 -4.755) 6.123 8.696 ( -1.576 -5.399 5.485) 7.856 8.805 ( -0.597 -5.059 0.632) 5.133 8.954 ( 3.306 -4.908 -1.447) 6.091 9.366 ( 6.811 -2.134 -8.799) 11.329 9.687 ( -6.617 -0.122 16.980) 18.224 10.446 ( 2.844 -4.183 -9.192) 10.492 11.306 ( 17.274 2.401 21.918) 28.010 11.544 ( -5.008 -13.084 12.995) 19.109 12.203 ( 2.020 12.471 -1.930) 12.780 12.388 ( -6.132 8.279 5.060) 11.478 13.260 ( -16.105 10.751 -12.761) 23.190 13.577 ( -5.209 14.109 -6.480) 16.377 13.939 ( 5.950 3.788 8.538) 11.074 15.433 ( 9.752 4.339 -25.678) 27.808 15.705 ( 6.766 -1.175 -13.774) 15.391 17.471 ( -0.095 -11.280 0.976) 11.323 17.817 ( -5.310 -3.721 15.113) 16.446 18.401 ( -5.586 -5.762 -2.683) 8.462 18.577 ( -17.175 -19.676 -4.585) 26.517 20.609 ( -8.735 1.023 0.105) 8.795 20.960 ( 32.775 -0.703 11.121) 34.618 ======================= Grid point 151 (70/227) ======================= q-point: (-0.20 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -5.402 0.527 3.405) 6.407 2.538 ( -4.211 3.469 -0.305) 5.465 2.883 ( 9.005 1.307 2.271) 9.378 3.076 ( -7.922 -15.816 14.621) 22.949 3.553 ( 18.316 2.446 -5.282) 19.219 3.778 ( 23.059 10.037 1.532) 25.195 4.239 ( -34.209 6.569 -6.693) 35.471 4.290 ( 4.105 -0.621 -2.570) 4.882 4.534 ( -15.361 -0.038 0.969) 15.392 5.030 ( -3.662 -11.287 9.937) 15.477 5.362 ( 0.568 2.334 0.046) 2.403 5.407 ( 0.045 5.224 -5.035) 7.256 5.665 ( 2.819 0.430 -6.334) 6.946 6.270 ( 8.501 -4.176 -9.997) 13.771 6.629 ( 0.286 -3.435 8.774) 9.427 6.745 ( -2.944 -3.692 6.254) 7.836 6.909 ( -2.324 -2.387 -1.180) 3.534 7.212 ( -1.248 8.780 1.129) 8.940 7.337 ( -7.164 7.146 7.953) 12.870 7.458 ( -3.391 -2.522 3.704) 5.619 8.542 ( 3.527 1.698 -6.022) 7.182 8.773 ( -0.718 -2.839 3.519) 4.577 8.809 ( -4.419 -2.028 -2.394) 5.420 9.142 ( 10.566 -6.508 -0.027) 12.409 9.458 ( 8.348 -3.126 -7.199) 11.458 9.701 ( -6.800 0.524 19.940) 21.074 10.498 ( 3.038 -4.044 -7.536) 9.076 11.562 ( 14.961 3.427 18.424) 23.979 11.718 ( -2.947 -7.265 9.079) 11.996 12.018 ( 0.583 10.698 -2.190) 10.936 12.228 ( -7.688 5.392 6.402) 11.365 12.796 ( -20.681 10.394 -13.990) 27.045 13.295 ( -8.333 6.694 -6.750) 12.641 14.034 ( 7.859 2.196 8.929) 12.096 15.357 ( 10.135 2.040 -24.446) 26.542 15.725 ( 7.209 -1.010 -14.919) 16.600 17.620 ( 0.295 -6.035 2.109) 6.400 17.900 ( -5.337 -3.834 16.496) 17.757 18.384 ( -5.531 -2.419 -2.758) 6.637 18.577 ( -16.551 -8.500 -2.980) 18.843 20.477 ( -10.504 0.713 -1.763) 10.675 21.459 ( 32.781 -5.472 7.773) 34.132 ======================= Grid point 152 (71/227) ======================= q-point: (-0.10 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -4.202 -0.637 2.257) 4.813 2.439 ( -0.692 2.299 -2.935) 3.792 2.926 ( 4.413 4.251 -4.617) 7.672 3.147 ( -1.939 10.002 15.676) 18.696 3.594 ( -26.235 3.526 -6.417) 27.237 3.707 ( -5.734 -4.022 -6.414) 9.497 3.893 ( 11.546 2.342 -0.746) 11.805 4.262 ( 3.022 7.317 0.057) 7.917 4.506 ( 5.842 3.611 4.011) 7.953 5.130 ( 5.078 3.688 1.726) 6.509 5.280 ( 0.362 2.243 -1.911) 2.968 5.435 ( 0.699 -3.225 1.914) 3.815 5.691 ( 3.628 0.271 2.388) 4.352 6.318 ( 7.153 -2.022 -14.397) 16.203 6.730 ( -1.207 -2.671 10.085) 10.503 6.879 ( -3.265 -7.918 1.381) 8.675 6.935 ( -5.177 -2.328 8.897) 10.554 7.076 ( -2.063 5.301 0.668) 5.727 7.246 ( -5.620 -2.453 10.116) 11.829 7.515 ( -6.263 -10.312 -0.428) 12.072 8.531 ( 4.022 0.896 -6.649) 7.822 8.774 ( -4.073 -1.707 -1.087) 4.547 8.810 ( -0.453 -0.618 1.562) 1.740 9.333 ( 8.597 -2.652 -1.575) 9.134 9.546 ( 4.638 -1.314 -4.135) 6.351 9.763 ( -1.880 -2.748 16.971) 17.294 10.567 ( 3.301 -3.139 -3.679) 5.855 11.718 ( 7.855 2.883 9.913) 12.972 11.778 ( -3.459 3.787 4.300) 6.693 11.874 ( -1.428 2.901 -2.427) 4.043 12.085 ( -12.381 1.940 4.265) 13.238 12.420 ( -8.686 4.660 -4.324) 10.764 13.107 ( -6.432 2.299 -3.643) 7.742 14.098 ( 6.853 5.197 2.519) 8.962 15.365 ( 9.689 -3.689 -18.739) 21.416 15.748 ( 7.434 -1.457 -14.832) 16.655 17.683 ( -0.339 0.154 3.193) 3.215 17.979 ( -5.713 -2.051 17.545) 18.565 18.295 ( -8.875 0.069 -7.688) 11.742 18.510 ( -5.658 0.374 6.488) 8.617 20.341 ( -8.611 0.617 -2.518) 8.992 21.893 ( 20.813 -6.353 -0.650) 21.770 ======================= Grid point 158 (72/227) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -4.661 -0.000 5.001) 6.836 2.138 ( -19.756 -0.000 42.307) 46.692 2.205 ( -11.168 -0.000 15.100) 18.782 2.395 ( 2.080 0.000 3.459) 4.037 3.128 ( 26.567 0.000 1.235) 26.596 3.206 ( -2.007 -0.000 -2.792) 3.438 3.950 ( 0.639 0.000 3.467) 3.525 4.504 ( 2.224 0.000 -2.811) 3.584 4.785 ( -2.885 -0.000 8.494) 8.970 4.932 ( -1.233 -0.000 -1.827) 2.204 5.623 ( 3.955 0.000 -5.765) 6.991 5.629 ( -1.377 -0.000 -0.367) 1.425 5.960 ( -5.536 -0.000 -7.756) 9.529 6.235 ( 2.112 0.000 -5.900) 6.267 6.506 ( -1.872 -0.000 0.362) 1.907 6.945 ( -6.289 -0.000 -5.233) 8.181 7.282 ( 3.915 0.000 -17.499) 17.932 7.352 ( -4.811 -0.000 11.275) 12.258 7.679 ( -6.204 -0.000 14.306) 15.594 7.905 ( 10.052 0.000 -16.701) 19.493 8.409 ( 0.237 0.000 1.946) 1.960 8.557 ( 2.010 0.000 1.650) 2.600 8.840 ( -1.559 -0.000 -1.086) 1.900 8.936 ( -5.878 -0.000 6.903) 9.067 9.470 ( -3.383 -0.000 -9.994) 10.551 9.526 ( -4.735 -0.000 11.994) 12.895 10.324 ( 0.469 0.000 -3.845) 3.873 10.916 ( -7.179 -0.000 21.825) 22.976 11.078 ( 12.006 0.000 20.425) 23.692 12.426 ( 5.365 0.000 -9.851) 11.217 12.769 ( -5.690 -0.000 8.429) 10.170 13.732 ( -4.907 -0.000 -8.895) 10.159 13.850 ( 2.598 0.000 8.007) 8.418 14.804 ( 0.839 0.000 -12.335) 12.364 15.579 ( 7.270 0.000 -23.743) 24.832 15.676 ( 2.577 0.000 -7.533) 7.962 17.029 ( 0.271 0.000 -0.486) 0.556 17.185 ( 0.174 0.000 -1.169) 1.182 17.906 ( -9.843 -0.000 9.020) 13.351 18.521 ( -3.211 -0.000 6.455) 7.210 20.717 ( -4.882 -0.000 2.597) 5.530 20.719 ( 14.207 0.000 3.893) 14.731 ======================= Grid point 159 (73/227) ======================= q-point: (-0.40 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -7.980 3.738 8.066) 11.947 2.051 ( -9.728 -10.137 13.188) 19.269 2.396 ( -4.575 -8.651 15.702) 18.502 2.634 ( -11.475 -30.128 17.165) 36.524 3.096 ( -3.440 4.462 -2.904) 6.339 3.594 ( 46.492 2.807 6.661) 47.050 3.988 ( 0.159 -1.053 4.858) 4.974 4.504 ( -0.327 0.394 -0.245) 0.568 4.791 ( -0.219 2.102 7.164) 7.470 4.855 ( -16.337 -1.672 -2.656) 16.636 5.498 ( -17.558 1.914 -6.297) 18.751 5.636 ( 2.453 1.438 -2.508) 3.791 5.847 ( -2.513 -5.018 -5.843) 8.101 6.149 ( 2.219 9.257 -6.330) 11.432 6.485 ( -2.804 -1.410 0.468) 3.173 6.892 ( 1.262 -0.174 -7.190) 7.302 7.191 ( 3.667 5.740 -15.248) 16.700 7.364 ( -3.601 -0.234 9.727) 10.374 7.623 ( -6.008 6.153 13.659) 16.141 7.893 ( 9.757 5.837 -17.011) 20.460 8.479 ( -1.078 -6.426 4.731) 8.052 8.635 ( 3.453 -3.527 2.800) 5.674 8.799 ( -2.181 6.928 3.475) 8.052 8.858 ( -2.923 1.133 1.647) 3.542 9.349 ( 1.978 2.222 -9.629) 10.078 9.604 ( -5.012 -5.385 10.968) 13.207 10.327 ( 0.315 -2.388 -4.277) 4.909 11.054 ( -7.204 -11.973 20.738) 25.006 11.379 ( 17.834 0.777 25.010) 30.727 12.416 ( 3.026 0.865 -9.857) 10.347 12.685 ( -5.329 8.067 8.756) 13.044 13.513 ( -16.221 4.312 -13.551) 21.571 13.915 ( 3.517 2.886 10.376) 11.330 14.470 ( -5.887 25.055 -11.120) 28.037 15.546 ( 11.119 1.648 -25.172) 27.567 15.666 ( 4.443 -0.922 -11.917) 12.752 17.093 ( 0.074 -8.432 -0.507) 8.448 17.412 ( -1.736 -24.905 -0.664) 24.974 17.844 ( -13.381 -4.008 7.205) 15.717 18.515 ( -2.268 1.087 6.627) 7.088 20.635 ( -9.464 0.503 0.146) 9.478 21.000 ( 29.249 1.608 9.740) 30.870 ======================= Grid point 160 (74/227) ======================= q-point: (-0.30 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -6.213 2.535 1.809) 6.950 2.281 ( -9.336 -23.916 7.732) 26.813 2.531 ( -1.862 -3.821 6.643) 7.887 2.894 ( -10.603 -4.302 0.624) 11.459 3.195 ( -7.778 -29.267 8.475) 31.446 4.024 ( -0.987 -0.182 4.304) 4.419 4.079 ( 38.453 3.600 3.921) 38.820 4.438 ( -25.522 4.225 -1.162) 25.895 4.534 ( -16.151 -0.315 0.903) 16.179 4.802 ( 1.872 1.301 5.175) 5.655 5.310 ( -4.410 -1.474 -6.524) 8.012 5.606 ( 0.607 2.701 -1.822) 3.314 5.896 ( 5.728 10.625 -10.211) 15.810 6.055 ( 5.568 -5.101 5.439) 9.306 6.520 ( 0.105 -4.005 4.438) 5.979 6.868 ( 1.541 1.006 -6.901) 7.142 7.024 ( 2.497 11.156 -8.473) 14.230 7.374 ( -2.477 0.954 7.877) 8.312 7.535 ( -4.711 4.374 9.212) 11.233 7.735 ( 5.447 15.839 -9.100) 19.061 8.608 ( -2.696 -6.518 8.187) 10.807 8.636 ( -0.836 5.007 -0.145) 5.078 8.750 ( 0.725 -1.447 -0.001) 1.618 8.917 ( 6.274 -6.213 -0.409) 8.840 9.358 ( 6.639 -2.513 -9.180) 11.605 9.680 ( -5.768 -3.075 15.229) 16.573 10.359 ( 1.216 -4.081 -6.304) 7.607 11.300 ( -6.970 -15.107 17.246) 23.963 11.684 ( 15.163 2.074 23.345) 27.915 12.351 ( 0.985 4.572 -8.777) 9.945 12.504 ( -5.664 12.071 9.124) 16.157 13.099 ( -23.819 7.821 -16.156) 29.824 13.780 ( -6.722 22.601 -4.856) 24.074 14.095 ( 1.543 4.827 7.046) 8.679 15.494 ( 12.549 4.694 -26.880) 30.034 15.680 ( 6.357 -1.787 -14.892) 16.290 17.272 ( -0.021 -13.199 0.440) 13.206 17.765 ( -2.176 -11.456 10.724) 15.842 17.837 ( -14.786 -19.736 -4.264) 25.026 18.510 ( -1.334 1.567 7.361) 7.644 20.500 ( -11.193 0.615 -1.504) 11.310 21.406 ( 34.147 1.203 9.875) 35.566 ======================= Grid point 161 (75/227) ======================= q-point: (-0.20 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -3.936 0.846 -1.285) 4.226 2.487 ( -7.442 1.122 -3.727) 8.398 2.633 ( -10.022 -28.457 6.114) 30.784 2.897 ( -2.196 -4.771 -0.183) 5.256 3.531 ( -3.285 -16.217 -2.248) 16.698 3.853 ( -33.918 5.853 2.252) 34.493 4.038 ( -5.821 2.420 2.959) 6.964 4.403 ( 4.892 -4.915 4.598) 8.320 4.517 ( 10.998 6.114 1.626) 12.688 4.892 ( 3.124 -7.125 4.789) 9.135 5.312 ( 0.680 -3.527 -4.680) 5.900 5.544 ( -0.175 5.612 -1.902) 5.928 5.704 ( 3.162 8.008 -7.088) 11.152 6.276 ( 6.916 -5.644 0.392) 8.935 6.670 ( 5.756 -2.772 14.690) 16.019 6.794 ( 1.150 7.841 -4.341) 9.036 6.876 ( -0.082 1.874 -2.111) 2.824 7.333 ( -2.405 5.848 3.342) 7.152 7.443 ( -1.916 11.151 4.786) 12.285 7.517 ( 3.241 8.549 1.813) 9.321 8.571 ( 1.923 1.595 -4.809) 5.420 8.726 ( -1.368 -4.964 5.934) 7.857 8.744 ( -1.361 -0.130 -2.092) 2.500 9.155 ( 11.541 -8.172 0.070) 14.141 9.453 ( 7.768 -4.060 -8.099) 11.934 9.739 ( -5.017 -0.914 19.814) 20.460 10.418 ( 2.331 -5.184 -5.686) 8.040 11.528 ( -5.776 -12.491 12.044) 18.288 11.881 ( 6.800 3.584 17.503) 19.116 12.182 ( -2.486 10.586 -7.722) 13.337 12.289 ( -7.466 11.255 7.929) 15.661 12.615 ( -20.873 6.852 -12.715) 25.383 13.329 ( -8.219 14.531 -6.895) 18.062 14.166 ( 2.967 -0.232 10.128) 10.556 15.405 ( 12.057 5.358 -27.254) 30.279 15.702 ( 6.977 -1.698 -16.070) 17.601 17.485 ( -0.130 -12.064 1.544) 12.163 17.843 ( -7.350 -5.419 14.061) 16.765 18.045 ( -7.218 -16.943 -5.218) 19.141 18.515 ( -1.407 1.150 7.882) 8.089 20.361 ( -9.043 0.559 -1.716) 9.221 21.802 ( 28.434 0.603 4.612) 28.812 ======================= Grid point 162 (76/227) ======================= q-point: (-0.10 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 0.239 -0.012 0.442) 0.502 2.394 ( -1.506 -1.563 -6.058) 6.435 2.907 ( -2.044 -1.735 -5.152) 5.808 2.987 ( -10.359 -24.079 8.797) 27.649 3.484 ( -18.303 5.591 13.724) 23.550 3.635 ( 4.274 -0.090 -6.601) 7.864 3.977 ( -0.280 1.885 -1.006) 2.154 4.379 ( -4.770 5.538 7.022) 10.135 4.598 ( 4.353 -1.171 -3.342) 5.612 5.095 ( 3.703 -9.083 -3.983) 10.586 5.372 ( 0.638 -3.400 -0.054) 3.459 5.403 ( 0.424 6.882 -2.455) 7.319 5.688 ( -2.367 -4.472 0.569) 5.092 6.356 ( 8.241 2.343 -10.837) 13.814 6.725 ( -3.129 -3.822 3.252) 5.914 6.778 ( -2.057 1.592 10.166) 10.494 6.921 ( 0.686 -2.730 9.274) 9.691 7.178 ( -1.009 9.675 -0.960) 9.775 7.283 ( -4.633 7.349 7.096) 11.217 7.491 ( 7.347 7.170 4.396) 11.168 8.552 ( 3.004 0.765 -6.941) 7.602 8.723 ( -0.545 -0.078 -1.015) 1.155 8.796 ( -0.785 -2.228 3.423) 4.159 9.357 ( 6.580 -3.971 -2.934) 8.226 9.540 ( 3.132 -2.188 -4.689) 6.049 9.815 ( -0.697 0.277 14.938) 14.957 10.527 ( 4.122 -5.345 -1.503) 6.915 11.689 ( -3.273 -8.245 6.736) 11.139 11.849 ( -7.736 8.865 -4.847) 12.725 11.931 ( -4.877 4.361 5.708) 8.682 12.093 ( -3.834 8.390 6.205) 11.117 12.381 ( -4.908 1.542 0.098) 5.146 13.084 ( -3.717 4.649 -2.847) 6.598 14.219 ( 0.075 1.936 4.259) 4.679 15.344 ( 10.809 0.791 -23.116) 25.530 15.722 ( 7.040 -1.635 -16.300) 17.831 17.642 ( -0.903 -6.527 2.399) 7.012 17.939 ( -6.275 -5.406 16.120) 18.123 18.144 ( -2.261 -6.738 -2.971) 7.703 18.517 ( -3.072 0.841 7.405) 8.061 20.272 ( -3.230 0.648 -0.332) 3.311 22.042 ( 14.274 1.535 -3.891) 14.874 ======================= Grid point 169 (77/227) ======================= q-point: (-0.40 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -6.333 -0.000 0.545) 6.356 2.021 ( -15.849 -0.000 7.565) 17.562 2.089 ( -24.166 -0.000 42.015) 48.469 2.503 ( 1.138 0.000 7.737) 7.820 3.001 ( -11.314 -0.000 -5.598) 12.623 4.006 ( 0.414 0.000 5.455) 5.471 4.191 ( 40.731 0.000 -4.857) 41.020 4.502 ( -39.710 -0.000 -2.978) 39.821 4.517 ( 2.027 0.000 3.861) 4.361 4.866 ( 3.931 0.000 5.941) 7.124 5.289 ( -8.556 -0.000 -8.642) 12.161 5.729 ( 4.682 0.000 9.981) 11.025 5.759 ( 0.601 0.000 -2.779) 2.843 6.222 ( 2.338 0.000 -6.296) 6.717 6.448 ( -0.547 -0.000 3.418) 3.462 6.886 ( 3.315 0.000 -7.499) 8.199 7.181 ( 4.882 0.000 -19.429) 20.033 7.399 ( 1.142 0.000 9.207) 9.278 7.701 ( -5.321 -0.000 14.043) 15.017 7.949 ( 9.840 0.000 -18.304) 20.782 8.433 ( 0.063 0.000 1.919) 1.920 8.679 ( 6.112 0.000 2.621) 6.650 8.807 ( 0.658 0.000 -3.119) 3.188 8.911 ( -5.005 -0.000 10.634) 11.753 9.343 ( 2.417 0.000 -10.834) 11.100 9.544 ( -5.255 -0.000 13.129) 14.142 10.288 ( -0.645 -0.000 -2.351) 2.438 10.985 ( -7.994 -0.000 23.248) 24.584 11.719 ( 15.118 0.000 24.845) 29.083 12.385 ( 0.583 0.000 -10.111) 10.128 12.748 ( -3.828 -0.000 8.085) 8.946 13.228 ( -24.266 -0.000 -16.864) 29.550 14.042 ( 3.013 0.000 12.717) 13.069 14.513 ( -12.908 -0.000 -13.705) 18.827 15.571 ( 14.884 0.000 -27.631) 31.384 15.634 ( 4.000 0.000 -12.424) 13.053 17.023 ( 0.085 0.000 -1.080) 1.084 17.161 ( -1.019 -0.000 -1.326) 1.672 17.746 ( -9.729 -0.000 12.017) 15.461 18.542 ( -0.964 -0.000 6.827) 6.895 20.511 ( -11.626 -0.000 -1.420) 11.712 21.443 ( 35.029 0.000 10.174) 36.476 ======================= Grid point 170 (78/227) ======================= q-point: (-0.30 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -14.349 -1.566 4.855) 15.229 1.912 ( -7.095 -8.548 -1.177) 11.171 2.342 ( -22.442 -29.510 29.778) 47.553 2.547 ( -6.322 -0.780 4.606) 7.860 2.867 ( -10.825 -6.703 -2.929) 13.064 3.992 ( -28.110 2.822 4.352) 28.585 4.048 ( -11.618 -0.924 5.506) 12.890 4.388 ( 7.028 1.127 -6.081) 9.361 4.609 ( 8.883 1.132 -1.670) 9.109 4.931 ( 8.781 3.842 -0.199) 9.586 5.222 ( 0.363 -1.649 -7.113) 7.311 5.650 ( -4.060 5.448 0.783) 6.840 5.936 ( 0.316 -9.889 -0.105) 9.895 6.144 ( 2.312 8.141 -3.471) 9.147 6.586 ( 11.888 -1.554 18.809) 22.306 6.873 ( 2.297 0.973 -6.563) 7.021 7.117 ( 5.702 3.416 -17.593) 18.806 7.487 ( 10.792 3.805 7.123) 13.480 7.641 ( -4.426 7.217 13.960) 16.326 7.927 ( 10.070 5.770 -18.802) 22.096 8.506 ( -1.539 -6.898 5.580) 9.005 8.728 ( -0.474 5.011 4.887) 7.015 8.790 ( -1.191 5.449 1.889) 5.889 8.898 ( 6.023 -4.976 1.616) 7.978 9.342 ( 6.009 -2.001 -9.880) 11.735 9.621 ( -5.090 -5.977 15.089) 17.009 10.288 ( -0.352 -2.387 -2.395) 3.400 11.104 ( -8.473 -10.386 22.095) 25.843 11.960 ( 6.363 1.299 20.571) 21.572 12.330 ( -0.677 0.583 -8.808) 8.853 12.675 ( -4.051 8.820 6.647) 11.764 12.807 ( -25.930 3.589 -16.207) 30.788 14.019 ( -8.899 19.036 -2.667) 21.182 14.184 ( -4.537 3.828 3.955) 7.133 15.568 ( 14.290 3.127 -27.690) 31.316 15.639 ( 6.642 -1.948 -16.328) 17.734 17.089 ( 0.068 -8.814 -0.601) 8.834 17.318 ( -3.380 -20.031 -2.574) 20.477 17.742 ( -6.295 -2.341 14.728) 16.187 18.562 ( -0.704 1.132 7.108) 7.232 20.374 ( -9.618 0.218 -1.318) 9.710 21.878 ( 34.431 2.493 6.899) 35.204 ======================= Grid point 171 (79/227) ======================= q-point: (-0.20 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 1.255 -1.532 -3.904) 4.378 2.087 ( -11.582 -25.217 2.991) 27.910 2.404 ( -9.573 2.768 -2.419) 10.255 2.677 ( -12.010 -18.733 10.156) 24.461 3.011 ( -14.625 -26.758 7.941) 31.511 3.669 ( -19.743 3.409 15.649) 25.423 4.044 ( -1.498 0.982 4.598) 4.935 4.398 ( -0.684 -1.114 -0.097) 1.310 4.612 ( -3.016 0.697 -2.892) 4.236 4.928 ( 2.759 2.988 -3.106) 5.117 5.247 ( 2.680 -3.162 -5.579) 6.950 5.521 ( -5.531 1.140 -5.637) 7.980 5.901 ( 5.191 12.470 -10.364) 17.025 6.158 ( -2.245 -10.784 0.790) 11.043 6.825 ( 2.409 0.924 15.704) 15.914 6.851 ( 3.370 0.768 0.308) 3.471 7.001 ( 4.802 9.499 -8.435) 13.581 7.466 ( -2.243 8.642 8.975) 12.660 7.667 ( 14.021 10.425 -0.513) 17.480 7.800 ( 13.425 12.846 -3.042) 18.828 8.606 ( -2.467 3.855 4.209) 6.218 8.646 ( -1.241 -5.979 4.783) 7.756 8.749 ( 1.764 1.592 -2.529) 3.470 9.141 ( 10.547 -9.290 -1.177) 14.105 9.423 ( 6.512 -4.387 -8.518) 11.585 9.765 ( -0.972 -4.973 20.293) 20.916 10.337 ( 1.009 -4.992 -0.603) 5.128 11.315 ( -7.781 -13.538 17.528) 23.475 12.024 ( -5.019 2.617 11.799) 13.087 12.193 ( -10.779 8.380 -8.784) 16.234 12.399 ( -9.404 2.871 -8.887) 13.254 12.517 ( -5.624 11.773 7.837) 15.220 13.480 ( -10.247 21.428 -7.314) 24.853 14.205 ( -3.217 -1.003 9.857) 10.417 15.496 ( 13.188 6.223 -29.457) 32.869 15.663 ( 6.950 -2.161 -16.581) 18.108 17.274 ( -0.520 -13.745 0.578) 13.767 17.598 ( -3.258 -19.773 0.126) 20.040 17.834 ( -4.186 -6.680 13.568) 15.692 18.560 ( -2.287 1.696 6.599) 7.187 20.289 ( -3.553 0.354 0.682) 3.635 22.183 ( 25.860 6.406 -0.105) 26.642 ======================= Grid point 172 (80/227) ======================= q-point: (-0.10 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 5.075 1.110 4.090) 6.612 2.311 ( -2.582 -3.636 -4.493) 6.330 2.431 ( -10.852 -31.277 1.895) 33.161 2.807 ( -2.345 -8.097 -0.157) 8.431 3.343 ( -8.356 -22.351 9.678) 25.750 3.596 ( -1.968 2.639 17.345) 17.655 4.028 ( 0.544 3.130 3.907) 5.036 4.401 ( -9.383 -5.742 0.814) 11.031 4.487 ( -11.721 1.738 -3.459) 12.343 4.929 ( -4.800 -7.141 -0.244) 8.608 5.316 ( 3.189 -3.988 -3.178) 6.015 5.432 ( -0.297 1.898 -8.677) 8.887 5.709 ( 3.700 10.474 -6.870) 13.061 6.342 ( 5.443 -9.730 -2.312) 11.387 6.769 ( -0.174 10.901 -3.758) 11.532 6.814 ( 0.432 1.932 0.264) 1.998 6.973 ( -2.636 0.914 15.797) 16.041 7.338 ( -1.658 9.433 4.271) 10.487 7.459 ( 0.304 15.684 0.304) 15.690 7.863 ( 20.034 13.316 2.395) 24.174 8.555 ( 1.453 1.263 -5.060) 5.414 8.744 ( 3.204 0.839 -1.777) 3.759 8.754 ( -2.012 -4.343 6.793) 8.310 9.325 ( 4.383 -5.018 -5.695) 8.765 9.499 ( 1.612 -2.950 -5.207) 6.198 9.909 ( 0.762 2.264 11.587) 11.831 10.487 ( 3.247 -6.569 7.708) 10.635 11.520 ( -5.401 -12.125 10.638) 17.010 11.866 ( -5.004 6.749 -3.898) 9.262 11.929 ( -10.834 2.951 4.718) 12.180 12.261 ( -1.539 10.779 1.912) 11.055 12.359 ( -4.730 2.250 5.491) 7.588 13.137 ( -2.676 8.175 -2.683) 9.010 14.205 ( -7.593 -0.829 5.496) 9.410 15.390 ( 12.118 4.947 -27.410) 30.375 15.686 ( 6.940 -1.833 -16.565) 18.053 17.484 ( -1.289 -12.459 1.266) 12.589 17.850 ( -2.842 -9.171 14.243) 17.177 17.998 ( 2.170 -12.008 3.270) 12.633 18.527 ( -4.599 1.472 5.845) 7.582 20.292 ( 3.421 0.668 3.415) 4.880 22.232 ( 8.973 10.053 -9.432) 16.448 ======================= Grid point 180 (81/227) ======================= q-point: (-0.30 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -24.658 -0.000 10.861) 26.944 1.828 ( 4.994 0.000 -8.868) 10.178 1.916 ( -30.130 -0.000 42.058) 51.737 2.573 ( -3.073 -0.000 8.040) 8.607 2.599 ( -17.221 -0.000 -6.947) 18.570 3.726 ( -21.165 -0.000 16.065) 26.571 4.049 ( -1.258 -0.000 5.945) 6.077 4.394 ( -0.518 -0.000 -5.413) 5.437 4.626 ( -3.687 -0.000 -5.879) 6.940 5.033 ( 3.852 0.000 -5.661) 6.847 5.193 ( 3.121 0.000 -6.508) 7.217 5.621 ( -15.956 -0.000 -4.595) 16.605 5.765 ( 1.149 0.000 -1.246) 1.695 6.225 ( 2.628 0.000 -4.667) 5.356 6.832 ( 5.751 0.000 25.857) 26.489 6.873 ( 2.223 0.000 -6.064) 6.459 7.109 ( 7.216 0.000 -19.513) 20.804 7.715 ( -3.488 -0.000 12.875) 13.339 7.867 ( 33.719 0.000 8.413) 34.752 7.972 ( 10.220 0.000 -20.135) 22.580 8.450 ( -0.810 -0.000 2.805) 2.919 8.802 ( 2.133 0.000 -3.879) 4.427 8.849 ( -0.573 -0.000 9.440) 9.457 8.927 ( 2.456 0.000 4.032) 4.721 9.341 ( 6.456 0.000 -9.301) 11.322 9.593 ( -3.643 -0.000 18.633) 18.985 10.255 ( -0.880 -0.000 0.431) 0.980 11.042 ( -9.635 -0.000 25.623) 27.375 12.064 ( -5.845 -0.000 12.180) 13.510 12.298 ( 1.095 0.000 -4.727) 4.852 12.455 ( -22.812 -0.000 -14.608) 27.089 12.752 ( -3.119 -0.000 6.959) 7.626 14.031 ( -15.551 -0.000 -10.669) 18.859 14.183 ( -3.601 -0.000 11.874) 12.408 15.607 ( 14.703 0.000 -31.632) 34.883 15.612 ( 6.563 0.000 -14.182) 15.627 17.014 ( 0.295 0.000 -1.310) 1.343 17.112 ( -1.942 -0.000 -1.232) 2.300 17.733 ( -5.893 -0.000 15.884) 16.942 18.593 ( -2.199 -0.000 6.249) 6.624 20.294 ( -3.651 -0.000 1.094) 3.812 22.318 ( 32.809 0.000 1.216) 32.831 ======================= Grid point 181 (82/227) ======================= q-point: (-0.20 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -19.593 -16.300 9.079) 27.055 1.910 ( 11.199 -0.251 -0.512) 11.214 2.071 ( -28.489 -29.172 31.857) 51.745 2.330 ( -14.817 0.116 -1.502) 14.894 2.652 ( -7.025 -9.816 4.069) 12.738 3.707 ( 1.460 2.234 24.372) 24.518 4.069 ( -0.710 0.035 5.659) 5.704 4.263 ( -19.812 -1.123 -17.301) 26.327 4.507 ( -10.015 -0.320 3.403) 10.582 4.944 ( -7.957 3.858 0.149) 8.844 5.222 ( 4.814 -1.687 -4.858) 7.044 5.461 ( 2.218 1.092 -11.658) 11.917 5.890 ( 2.594 -11.967 -2.830) 12.567 6.149 ( 2.271 9.018 -4.540) 10.349 6.861 ( 2.512 1.011 -5.151) 5.819 6.954 ( -2.345 1.333 18.354) 18.551 7.093 ( 6.878 1.283 -13.961) 15.616 7.631 ( -6.181 10.051 13.866) 18.207 7.927 ( 10.636 7.568 -19.540) 23.499 8.239 ( 30.689 8.984 -2.336) 32.062 8.527 ( -2.118 -7.688 7.294) 10.807 8.741 ( -3.296 9.763 7.105) 12.516 8.793 ( 1.301 2.760 -0.882) 3.176 9.097 ( 8.931 -8.429 -2.404) 12.514 9.388 ( 5.584 -2.270 -7.557) 9.666 9.786 ( 4.744 -8.592 22.114) 24.194 10.289 ( -0.124 -3.664 7.795) 8.614 11.146 ( -9.385 -8.483 25.999) 28.914 11.981 ( -13.933 0.946 4.870) 14.790 12.129 ( -11.354 6.113 -7.817) 15.080 12.301 ( -2.515 -1.402 -2.735) 3.972 12.686 ( -3.441 8.118 7.431) 11.531 13.640 ( -12.663 18.356 -7.792) 23.622 14.177 ( -8.179 -0.330 9.102) 12.241 15.564 ( 12.599 3.661 -31.971) 34.559 15.629 ( 7.172 -1.279 -14.127) 15.895 17.080 ( -0.306 -8.890 -0.811) 8.932 17.261 ( 0.344 -19.591 0.195) 19.595 17.777 ( -6.300 -3.188 16.074) 17.556 18.576 ( -4.312 1.074 4.882) 6.602 20.308 ( 3.634 0.297 4.500) 5.791 22.580 ( 24.702 8.648 -8.367) 27.477 ======================= Grid point 182 (83/227) ======================= q-point: (-0.10 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -12.316 -29.036 4.147) 31.811 1.980 ( -1.285 0.310 4.110) 4.317 2.147 ( -8.158 -6.459 -2.891) 10.800 2.509 ( -16.141 -24.678 14.766) 32.978 2.839 ( -9.979 -24.249 8.915) 27.696 3.738 ( -38.935 -4.555 -17.344) 42.866 3.956 ( 9.519 0.938 16.274) 18.877 4.140 ( 4.395 -0.380 12.632) 13.380 4.475 ( -4.018 0.254 8.198) 9.133 4.826 ( -5.959 0.364 1.649) 6.194 5.301 ( 6.373 -2.285 -2.404) 7.184 5.457 ( 9.806 1.457 -13.986) 17.143 5.926 ( 5.464 13.504 -8.563) 16.898 6.215 ( 8.336 -15.174 1.770) 17.403 6.846 ( 2.549 1.803 -2.978) 4.315 6.945 ( 2.662 7.387 -0.535) 7.870 7.050 ( -1.882 4.516 6.785) 8.365 7.474 ( -5.129 8.412 11.059) 14.812 7.739 ( 5.069 16.575 -10.371) 20.199 8.274 ( 15.052 12.238 -11.135) 22.367 8.604 ( -0.193 6.148 1.012) 6.234 8.679 ( -1.576 -6.878 8.927) 11.379 8.794 ( 4.189 0.593 -1.992) 4.676 9.251 ( 3.518 -4.897 -7.638) 9.731 9.442 ( 2.234 -2.538 -5.259) 6.252 10.007 ( 4.059 1.011 2.108) 4.684 10.504 ( 0.759 -5.803 29.291) 29.870 11.329 ( -8.282 -10.204 20.085) 24.002 11.778 ( -20.795 1.667 2.499) 21.011 11.963 ( 4.893 3.734 -0.389) 6.168 12.275 ( -1.604 -1.356 -3.247) 3.868 12.514 ( -4.185 13.018 9.525) 16.665 13.238 ( -4.425 11.241 -3.573) 12.598 14.106 ( -12.082 -0.375 5.494) 13.278 15.460 ( 11.818 5.129 -29.939) 32.593 15.656 ( 7.071 -1.153 -13.948) 15.680 17.259 ( -0.854 -13.765 -0.134) 13.792 17.718 ( 10.298 -22.872 10.564) 27.217 17.855 ( -4.689 -8.010 11.538) 14.808 18.523 ( -4.927 1.581 4.570) 6.903 20.399 ( 7.709 0.885 6.633) 10.208 22.456 ( 3.807 18.494 -20.439) 27.826 ======================= Grid point 191 (84/227) ======================= q-point: (-0.20 -0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -26.864 -0.000 17.658) 32.148 1.623 ( -35.604 -0.000 46.068) 58.222 2.050 ( 7.531 0.000 3.367) 8.250 2.107 ( -18.255 -0.000 -5.553) 19.081 2.524 ( -7.159 -0.000 5.299) 8.907 3.669 ( -54.296 -0.000 -28.796) 61.459 4.028 ( 23.337 0.000 28.662) 36.961 4.100 ( -0.222 -0.000 6.314) 6.318 4.466 ( -3.676 -0.000 8.191) 8.978 4.889 ( -8.794 -0.000 4.289) 9.784 5.263 ( 8.375 0.000 -1.912) 8.591 5.480 ( 10.730 0.000 -14.983) 18.429 5.786 ( 1.943 0.000 -0.651) 2.050 6.237 ( 2.953 0.000 -4.948) 5.762 6.874 ( 3.630 0.000 -5.980) 6.995 7.026 ( -5.899 -0.000 20.763) 21.585 7.095 ( 9.186 0.000 -18.426) 20.589 7.731 ( -5.906 -0.000 12.903) 14.191 7.985 ( 9.651 0.000 -20.662) 22.805 8.452 ( -2.002 -0.000 3.381) 3.929 8.559 ( 16.662 0.000 -20.326) 26.283 8.818 ( 2.229 0.000 -3.777) 4.386 8.844 ( -5.499 -0.000 10.104) 11.503 9.110 ( 8.441 0.000 -0.348) 8.449 9.418 ( 6.991 0.000 -6.208) 9.350 9.892 ( 9.406 0.000 14.962) 17.673 10.331 ( 0.585 0.000 23.418) 23.425 11.164 ( -6.451 -0.000 43.672) 44.146 11.804 ( -21.392 -0.000 2.368) 21.523 12.080 ( -0.796 -0.000 -1.100) 1.358 12.241 ( -2.856 -0.000 -4.605) 5.419 12.751 ( -3.409 -0.000 7.070) 7.849 13.619 ( -11.891 -0.000 -6.870) 13.732 14.107 ( -11.628 -0.000 7.607) 13.895 15.556 ( 11.250 0.000 -31.860) 33.787 15.650 ( 8.777 0.000 -8.833) 12.452 17.007 ( 0.259 0.000 -1.208) 1.235 17.051 ( -2.125 -0.000 -1.054) 2.372 17.761 ( -7.712 -0.000 17.399) 19.032 18.554 ( -4.661 -0.000 3.871) 6.059 20.416 ( 8.107 0.000 7.362) 10.951 22.862 ( 21.860 0.000 -23.798) 32.314 ======================= Grid point 192 (85/227) ======================= q-point: (-0.10 -0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -20.921 -22.833 12.945) 33.565 1.761 ( -25.090 -24.417 27.166) 44.313 1.955 ( -18.705 -14.851 8.910) 25.491 2.090 ( -1.900 2.067 7.018) 7.559 2.527 ( -8.843 -8.050 3.026) 12.336 2.810 ( -70.314 -5.797 -29.059) 76.303 4.122 ( 1.066 0.883 4.846) 5.040 4.474 ( 22.279 -0.894 20.057) 29.990 4.493 ( 1.050 0.278 13.562) 13.606 4.789 ( -7.502 2.876 4.380) 9.151 5.402 ( 15.147 0.297 3.673) 15.589 5.524 ( 12.209 0.862 -17.023) 20.966 6.025 ( 12.199 -18.163 -1.430) 21.926 6.168 ( 3.846 6.913 -3.252) 8.553 6.887 ( 4.884 0.573 -4.900) 6.942 7.045 ( -3.926 1.813 15.383) 15.979 7.116 ( 7.455 0.574 -12.472) 14.542 7.626 ( -7.149 10.614 14.064) 19.015 7.928 ( 8.335 7.166 -20.019) 22.838 8.393 ( -0.589 5.071 -22.021) 22.605 8.586 ( -0.872 -7.982 -2.751) 8.487 8.748 ( -1.954 9.031 6.112) 11.079 8.832 ( 2.587 -0.037 -0.232) 2.598 9.206 ( 5.318 -1.180 -4.705) 7.198 9.447 ( 5.438 1.036 -4.268) 6.990 10.041 ( 6.644 -2.028 -8.322) 10.840 10.585 ( -0.855 -9.116 33.354) 34.588 11.399 ( -3.977 8.538 63.347) 64.044 11.523 ( -27.468 0.516 1.804) 27.532 12.095 ( 7.831 2.843 -0.074) 8.331 12.215 ( 1.503 -3.011 -3.222) 4.659 12.690 ( -3.518 7.607 8.837) 12.180 13.334 ( -7.451 11.565 -4.572) 14.497 13.991 ( -13.106 0.745 5.002) 14.048 15.494 ( 11.275 2.797 -29.307) 31.525 15.699 ( 8.786 3.573 -4.253) 10.395 17.061 ( -0.092 -8.941 -1.470) 9.062 17.434 ( 16.557 -39.343 8.271) 43.479 17.779 ( -9.002 -2.091 18.266) 20.471 18.518 ( -3.587 1.020 4.268) 5.668 20.548 ( 7.929 0.915 7.876) 11.213 22.644 ( -1.972 23.213 -46.375) 51.897 ======================= Grid point 202 (86/227) ======================= q-point: (-0.10 -0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -24.558 -0.000 30.358) 39.047 1.326 ( -36.784 -0.000 54.157) 65.468 1.694 ( -12.287 -0.000 -1.783) 12.416 1.711 ( -81.238 -0.000 -27.974) 85.919 2.110 ( -5.191 -0.000 8.747) 10.172 2.392 ( -6.795 -0.000 2.050) 7.097 4.154 ( 0.501 0.000 -0.102) 0.512 4.585 ( 3.210 0.000 14.413) 14.766 4.726 ( 9.237 0.000 6.589) 11.347 4.819 ( -3.309 -0.000 17.525) 17.834 5.570 ( 11.515 0.000 -19.611) 22.741 5.613 ( 12.002 0.000 1.639) 12.114 5.931 ( 11.576 0.000 8.227) 14.202 6.258 ( 3.340 0.000 -4.467) 5.577 6.935 ( 7.424 0.000 -3.069) 8.034 7.086 ( -7.743 -0.000 19.802) 21.262 7.128 ( 10.071 0.000 -16.492) 19.324 7.731 ( -6.131 -0.000 13.219) 14.572 7.958 ( 7.722 0.000 -21.664) 22.999 8.195 ( -17.075 -0.000 -40.601) 44.046 8.430 ( -3.665 -0.000 4.907) 6.125 8.834 ( 1.773 0.000 -0.724) 1.915 8.859 ( -1.446 -0.000 7.838) 7.970 9.278 ( 6.639 0.000 -0.052) 6.639 9.510 ( 6.307 0.000 -5.549) 8.400 10.039 ( 6.486 0.000 -11.171) 12.918 10.576 ( -6.047 -0.000 18.496) 19.459 11.199 ( -28.403 -0.000 1.162) 28.426 12.134 ( 0.065 0.000 -7.291) 7.291 12.256 ( 30.633 0.000 60.979) 68.240 12.282 ( 18.199 0.000 52.931) 55.972 12.749 ( -3.404 -0.000 7.210) 7.973 13.346 ( -6.644 -0.000 -3.477) 7.499 13.881 ( -11.322 -0.000 3.952) 11.992 15.505 ( 12.272 0.000 -25.229) 28.055 16.107 ( 37.390 0.000 42.469) 56.583 17.002 ( -1.093 -0.000 -0.744) 1.322 17.008 ( 0.682 0.000 1.434) 1.588 17.774 ( -8.049 -0.000 24.721) 25.999 18.517 ( -2.293 -0.000 4.758) 5.281 20.674 ( 4.848 0.000 7.144) 8.633 22.367 ( -31.117 -0.000 -108.990) 113.345 ======================= Grid point 203 (87/227) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -9.783 -0.000 38.850) 40.063 1.605 ( 65.178 0.000 39.839) 76.389 1.688 ( 4.149 0.000 7.054) 8.184 2.155 ( -7.319 -0.000 5.528) 9.172 2.412 ( -6.334 -0.000 18.299) 19.364 2.540 ( -19.104 -0.000 50.482) 53.975 3.855 ( -0.229 -0.000 -15.376) 15.377 4.529 ( -17.955 -0.000 -13.982) 22.757 4.877 ( -3.339 -0.000 4.570) 5.661 4.969 ( -1.331 -0.000 -5.016) 5.190 5.249 ( -4.587 -0.000 -2.298) 5.130 5.341 ( -8.472 -0.000 -19.871) 21.601 5.864 ( -7.100 -0.000 -4.922) 8.639 6.223 ( 0.494 0.000 -2.800) 2.843 6.783 ( 9.281 0.000 -17.162) 19.511 7.276 ( 16.701 0.000 -34.037) 37.914 7.399 ( -0.078 -0.000 3.776) 3.777 7.405 ( -3.438 -0.000 13.578) 14.007 7.891 ( 0.135 0.000 11.262) 11.263 8.179 ( -1.510 -0.000 23.211) 23.260 8.669 ( -9.717 -0.000 17.806) 20.284 8.937 ( 6.941 0.000 -5.721) 8.995 8.941 ( 2.409 0.000 4.302) 4.931 9.407 ( 0.479 0.000 -4.221) 4.248 9.521 ( 6.866 0.000 -1.067) 6.948 9.848 ( 7.247 0.000 -11.924) 13.954 10.784 ( -12.826 -0.000 14.169) 19.112 11.069 ( 5.941 0.000 12.010) 13.399 11.931 ( 6.221 0.000 -10.599) 12.290 12.208 ( -8.078 -0.000 -9.656) 12.589 12.901 ( -5.163 -0.000 8.490) 9.937 13.126 ( -30.162 -0.000 1.245) 30.188 13.335 ( -0.926 -0.000 3.693) 3.807 13.791 ( -5.400 -0.000 2.247) 5.849 15.317 ( 30.624 0.000 -15.845) 34.480 16.319 ( -57.200 -0.000 -30.272) 64.717 16.954 ( -4.781 -0.000 0.116) 4.782 16.981 ( 0.988 0.000 -0.424) 1.075 18.308 ( -26.321 -0.000 17.646) 31.688 18.666 ( -0.993 -0.000 6.677) 6.750 20.771 ( -12.599 -0.000 3.817) 13.164 21.194 ( 87.332 0.000 -4.740) 87.460 ======================= Grid point 204 (88/227) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -7.347 -5.858 36.344) 37.539 1.865 ( 8.647 -5.020 6.629) 11.996 2.125 ( -1.827 -1.160 0.838) 2.321 2.447 ( -0.579 -2.361 12.360) 12.597 2.541 ( 39.084 -9.142 33.042) 51.990 2.901 ( 6.909 -20.535 45.388) 50.294 3.802 ( 0.504 -3.402 -15.252) 15.635 4.125 ( -36.212 -1.593 -20.546) 41.665 4.790 ( -6.392 4.631 -2.876) 8.401 4.944 ( -5.165 1.508 15.053) 15.985 5.140 ( 3.076 3.759 -11.032) 12.054 5.191 ( -1.302 -2.480 -13.146) 13.441 5.904 ( 0.138 -6.659 -9.323) 11.458 6.180 ( -4.222 -1.086 -2.985) 5.284 6.793 ( 9.113 1.649 -16.582) 18.993 7.303 ( 9.109 -0.498 -18.559) 20.679 7.364 ( -4.018 2.065 4.268) 6.215 7.445 ( -2.022 -2.811 3.545) 4.955 7.911 ( -3.574 4.637 11.861) 13.227 8.157 ( 3.163 12.063 10.934) 16.585 8.749 ( -8.300 -6.824 15.386) 18.767 8.893 ( 2.681 5.965 0.475) 6.557 9.052 ( 4.001 -3.689 0.806) 5.502 9.322 ( -2.729 11.064 0.781) 11.422 9.444 ( 2.167 6.013 -7.766) 10.058 9.869 ( 7.472 -0.162 -12.758) 14.786 10.855 ( -13.966 -16.205 12.499) 24.776 11.287 ( 14.865 -1.990 13.299) 20.045 11.933 ( 4.414 2.618 -8.858) 10.237 12.078 ( -10.135 -4.971 -10.648) 15.518 12.446 ( -44.515 23.014 26.038) 56.473 12.872 ( -11.494 4.704 10.195) 16.068 13.273 ( 8.605 11.440 0.839) 14.339 13.749 ( -1.324 0.731 -0.522) 1.600 15.414 ( 5.536 14.092 -13.727) 20.437 15.645 ( 10.803 5.309 -12.710) 17.506 17.051 ( -0.173 -13.339 2.082) 13.501 17.372 ( -12.144 -36.960 -10.461) 40.286 18.209 ( -13.975 -1.641 19.403) 23.968 18.681 ( -2.357 0.675 7.425) 7.819 20.605 ( -16.135 0.538 -0.229) 16.145 21.852 ( 52.269 8.945 -21.041) 57.050 ======================= Grid point 205 (89/227) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -2.262 -3.044 5.918) 7.028 1.983 ( -3.124 -16.302 19.245) 25.414 2.251 ( 8.166 -4.623 6.864) 11.627 2.524 ( -0.883 -7.954 -3.210) 8.623 3.201 ( 7.749 -20.555 26.413) 34.355 3.611 ( -8.473 -6.191 -0.508) 10.506 3.646 ( 7.124 -8.663 8.500) 14.073 3.814 ( -0.155 -5.805 -13.245) 14.462 4.637 ( -5.962 4.883 6.275) 9.938 4.938 ( -4.641 0.902 12.125) 13.014 5.111 ( 8.877 0.573 -11.204) 14.305 5.239 ( 2.912 -5.570 -3.375) 7.134 5.875 ( 6.343 6.892 -7.980) 12.305 6.182 ( -8.303 -9.605 -5.062) 13.669 6.766 ( 8.408 3.544 -12.825) 15.739 7.223 ( -5.371 5.449 1.956) 7.897 7.332 ( -1.377 3.714 7.094) 8.124 7.480 ( 1.262 0.156 -3.306) 3.542 7.798 ( -6.061 8.855 13.859) 17.528 8.022 ( -3.484 7.495 -7.011) 10.839 8.675 ( -0.980 13.589 3.399) 14.042 8.894 ( -4.647 -2.001 7.528) 9.071 9.043 ( -6.358 11.226 2.000) 13.056 9.170 ( 4.376 -3.650 -1.696) 5.945 9.411 ( 3.913 -1.314 -8.853) 9.768 9.884 ( 7.039 0.046 -13.206) 14.965 10.973 ( -22.780 -12.491 14.631) 29.817 11.565 ( 12.881 -3.422 11.170) 17.390 11.796 ( -12.326 15.993 19.479) 28.055 11.878 ( -17.230 -3.726 1.376) 17.682 12.097 ( 1.033 -0.476 -3.346) 3.534 12.704 ( -5.294 9.931 9.512) 14.735 13.193 ( 5.789 8.968 -1.126) 10.733 13.742 ( 2.386 -1.040 -4.509) 5.207 15.245 ( 7.026 3.783 -18.856) 20.475 15.684 ( 20.093 11.141 -11.016) 25.479 17.338 ( -1.216 -18.162 7.509) 19.691 17.696 ( -8.834 -26.254 -8.116) 28.865 18.223 ( -9.233 -3.688 18.581) 21.074 18.669 ( -3.544 1.550 7.784) 8.692 20.407 ( -14.838 -0.117 -3.327) 15.207 21.999 ( 25.040 11.192 -19.770) 33.810 ======================= Grid point 206 (90/227) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -4.776 1.531 -0.523) 5.042 2.312 ( -0.068 -4.526 -7.314) 8.602 2.443 ( 6.256 -15.943 7.803) 18.820 2.739 ( 5.118 -16.690 4.133) 17.940 3.401 ( -19.405 -8.454 10.332) 23.554 3.634 ( 3.924 -12.909 7.203) 15.295 3.840 ( -0.007 -2.532 -8.102) 8.489 4.066 ( 20.516 -0.717 -8.235) 22.119 4.602 ( -4.967 0.255 16.481) 17.215 4.962 ( -1.756 -3.662 3.899) 5.630 5.205 ( 7.493 -1.762 2.096) 7.978 5.355 ( 5.445 -4.755 -1.342) 7.353 5.840 ( 5.415 2.113 0.962) 5.892 6.184 ( -0.844 -1.074 -9.337) 9.436 6.773 ( 4.212 -2.141 -4.415) 6.467 7.073 ( -4.603 7.644 4.140) 9.837 7.250 ( -5.137 8.812 9.328) 13.823 7.418 ( -1.680 6.947 10.260) 12.504 7.632 ( -12.798 7.790 2.306) 15.158 7.790 ( -7.657 5.271 -5.617) 10.861 8.460 ( 3.283 11.276 -5.854) 13.122 8.857 ( -3.699 4.610 -1.316) 6.056 8.890 ( -5.295 0.593 7.294) 9.032 9.268 ( 3.776 -3.299 -3.207) 5.953 9.439 ( 2.870 -2.101 -8.104) 8.851 9.885 ( 5.814 0.462 -12.327) 13.637 10.876 ( -28.368 -2.831 23.843) 37.166 11.643 ( -0.605 5.012 9.444) 10.708 11.780 ( 3.696 -4.288 8.318) 10.062 11.860 ( -1.367 -3.674 4.102) 5.674 12.108 ( 2.552 0.992 -1.179) 2.981 12.565 ( -3.307 7.115 8.650) 11.679 13.117 ( 3.891 6.440 -0.945) 7.583 13.790 ( 4.640 -4.407 -9.282) 11.274 15.200 ( 10.420 2.911 -19.343) 22.163 15.616 ( 13.047 11.979 -15.089) 23.268 17.612 ( -4.352 -13.680 9.126) 17.010 17.937 ( -2.713 -15.853 -1.716) 16.175 18.296 ( -8.084 -4.700 18.284) 20.536 18.642 ( -3.643 1.381 7.182) 8.171 20.261 ( -7.779 -0.998 -3.308) 8.512 21.938 ( 9.403 7.298 -17.877) 21.477 ======================= Grid point 207 (91/227) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 4.698 0.711 5.033) 6.921 2.342 ( 10.806 1.253 -6.337) 12.590 2.721 ( 5.001 -8.094 -0.595) 9.533 3.175 ( 5.384 -22.709 9.256) 25.107 3.478 ( -8.417 -9.778 16.887) 21.252 3.713 ( -1.860 10.694 -7.200) 13.025 3.829 ( 2.341 -5.386 2.215) 6.276 4.171 ( 8.281 -1.009 -16.009) 18.052 4.624 ( -3.239 1.002 12.095) 12.561 5.035 ( 1.899 -3.404 -2.138) 4.446 5.289 ( -1.135 -2.613 5.339) 6.051 5.486 ( 4.034 -2.904 -1.657) 5.239 5.896 ( -3.637 -0.737 6.659) 7.623 6.092 ( 5.098 6.659 -14.481) 16.734 6.872 ( -3.727 -7.015 2.763) 8.410 6.946 ( -1.968 3.942 3.651) 5.722 7.058 ( -8.654 7.065 5.258) 12.347 7.327 ( -4.499 6.668 -1.315) 8.151 7.414 ( -8.126 2.722 18.487) 20.377 7.635 ( -3.326 6.842 6.698) 10.136 8.362 ( 5.439 2.458 -11.308) 12.787 8.762 ( -1.113 2.978 -0.767) 3.270 8.865 ( -3.000 0.451 4.324) 5.282 9.313 ( 1.961 -1.184 -5.860) 6.292 9.437 ( -0.073 -1.458 -9.575) 9.685 9.875 ( 4.808 0.805 -10.595) 11.663 10.753 ( -22.977 -2.917 26.073) 34.875 11.659 ( 5.159 1.375 4.176) 6.778 11.893 ( 1.091 -1.502 6.635) 6.890 11.931 ( -1.551 -2.271 5.140) 5.829 12.120 ( 3.261 1.608 3.654) 5.154 12.493 ( -3.013 3.129 7.208) 8.416 13.083 ( 4.430 3.680 1.004) 5.846 13.881 ( 4.368 -7.774 -13.130) 15.871 15.154 ( 10.623 6.510 -17.985) 21.879 15.470 ( 7.827 8.166 -20.334) 23.268 17.767 ( -5.208 -6.843 9.032) 12.471 18.116 ( 2.660 -7.078 1.671) 7.744 18.347 ( -9.739 -1.861 17.680) 20.270 18.628 ( -3.535 -0.227 6.461) 7.368 20.239 ( 1.880 -1.363 0.611) 2.401 21.820 ( -0.441 1.368 -18.318) 18.374 ======================= Grid point 208 (92/227) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 4.518 -1.051 12.829) 13.642 2.410 ( 9.307 5.152 -0.616) 10.655 2.850 ( 4.818 -1.819 -2.774) 5.850 3.315 ( -2.250 19.510 -9.576) 21.849 3.637 ( -2.398 -11.962 19.217) 22.763 3.685 ( 4.521 -5.587 7.155) 10.141 3.938 ( 0.806 -4.791 2.836) 5.626 4.141 ( 0.406 -4.397 -13.439) 14.146 4.618 ( -2.450 3.284 6.990) 8.102 5.072 ( 2.931 -0.149 -3.642) 4.677 5.339 ( -3.673 -1.697 4.033) 5.713 5.460 ( -0.103 4.871 -3.863) 6.218 5.729 ( -14.507 8.611 0.547) 16.879 6.046 ( 7.553 -4.021 -14.160) 16.544 6.832 ( -5.445 -0.782 3.906) 6.747 6.924 ( -1.127 8.257 5.788) 10.147 7.029 ( -2.140 -6.919 1.425) 7.382 7.268 ( -3.428 -4.355 2.189) 5.960 7.393 ( -5.015 3.323 19.603) 20.505 7.656 ( 2.643 -3.659 12.908) 13.675 8.350 ( 5.021 -0.463 -11.764) 12.799 8.731 ( 2.415 1.491 -0.540) 2.889 8.862 ( -2.151 -1.493 3.481) 4.356 9.288 ( 0.879 1.409 -8.515) 8.676 9.390 ( -2.547 -1.683 -10.108) 10.559 9.855 ( 4.700 1.541 -10.203) 11.339 10.731 ( -18.622 -6.708 27.273) 33.698 11.742 ( 2.681 -1.911 3.121) 4.537 11.907 ( 0.496 4.516 4.813) 6.618 11.928 ( -11.165 -4.089 4.942) 12.876 12.205 ( 10.974 1.982 7.389) 13.378 12.461 ( -2.973 1.322 5.904) 6.741 13.114 ( 6.327 2.034 3.670) 7.592 13.980 ( 0.544 -9.465 -13.530) 16.521 15.022 ( 8.618 10.646 -19.929) 24.182 15.365 ( 8.637 2.196 -22.290) 24.005 17.802 ( -6.105 0.288 8.284) 10.294 18.250 ( 7.031 0.167 4.311) 8.249 18.333 ( -6.094 1.219 15.071) 16.302 18.630 ( -3.314 -0.453 6.731) 7.516 20.340 ( 8.172 -1.246 5.714) 10.049 21.691 ( -8.126 -4.549 -21.383) 23.323 ======================= Grid point 209 (93/227) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 0.191 -0.356 11.810) 11.817 2.354 ( -3.314 6.286 4.578) 8.453 2.775 ( -9.327 15.019 -4.485) 18.240 2.870 ( -4.913 16.786 0.185) 17.492 3.369 ( -34.977 10.237 -18.897) 41.052 3.924 ( 7.620 -4.856 10.315) 13.713 4.096 ( -0.551 -4.144 -2.221) 4.734 4.398 ( 20.549 -5.665 18.095) 27.960 4.518 ( -2.690 4.481 8.875) 10.300 5.085 ( 4.882 1.384 -4.490) 6.776 5.221 ( -2.803 5.735 -5.416) 8.372 5.410 ( -2.183 8.067 3.963) 9.249 5.518 ( -0.772 -1.853 -1.423) 2.461 6.215 ( 10.029 -12.603 -12.489) 20.381 6.810 ( 0.137 8.285 6.833) 10.740 6.846 ( 2.773 1.698 2.410) 4.047 7.075 ( -3.830 -4.949 1.509) 6.437 7.352 ( -2.985 -7.934 3.354) 9.116 7.472 ( -3.764 -5.822 17.337) 18.672 7.841 ( 0.484 -7.594 6.064) 9.730 8.360 ( 4.543 -1.839 -10.908) 11.959 8.760 ( 5.618 0.464 -1.054) 5.735 8.900 ( -2.497 -3.237 5.689) 7.006 9.205 ( 0.573 3.107 -10.521) 10.985 9.343 ( -2.243 -2.208 -7.642) 8.265 9.826 ( 5.451 1.913 -11.822) 13.158 10.840 ( -16.500 -13.276 30.500) 37.132 11.692 ( -17.574 -1.001 1.760) 17.690 11.854 ( -5.349 3.915 6.516) 9.295 11.946 ( -0.271 -5.188 3.549) 6.291 12.351 ( 15.112 4.416 6.426) 17.005 12.449 ( -3.533 -1.052 6.637) 7.592 13.192 ( 7.753 1.897 5.694) 9.804 14.028 ( -7.037 -8.113 -8.188) 13.505 14.855 ( 11.870 7.393 -27.991) 31.290 15.347 ( 10.449 0.183 -19.208) 21.867 17.706 ( -5.859 7.712 6.075) 11.433 18.246 ( -7.509 2.499 13.508) 15.656 18.418 ( 13.244 4.545 7.242) 15.764 18.655 ( 5.616 2.997 8.629) 10.723 20.502 ( 8.695 -1.287 8.737) 12.394 21.533 ( -16.397 -8.872 -27.538) 33.255 ======================= Grid point 210 (94/227) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -9.274 7.977 -1.997) 12.394 2.223 ( -18.476 20.288 5.496) 27.985 2.278 ( -8.406 6.238 11.867) 15.824 2.492 ( -36.489 13.125 -11.425) 40.426 2.707 ( -18.348 8.002 -3.979) 20.408 3.819 ( -13.059 25.871 22.357) 36.601 4.104 ( 7.991 0.836 -7.463) 10.966 4.495 ( -1.324 -7.825 0.137) 7.937 4.869 ( 7.687 -2.490 19.317) 20.939 5.044 ( -0.586 9.839 14.630) 17.641 5.136 ( 9.560 1.121 -17.855) 20.284 5.381 ( 11.265 -2.425 -1.010) 11.567 5.617 ( 4.812 -7.693 -5.855) 10.799 6.511 ( 15.747 -12.002 -9.475) 21.950 6.718 ( 5.060 10.013 2.925) 11.594 6.880 ( 7.048 2.223 1.927) 7.637 7.161 ( -6.074 -10.332 4.178) 12.693 7.461 ( 0.208 -6.164 -2.060) 6.502 7.620 ( -4.092 -6.941 15.126) 17.138 7.913 ( -6.494 -4.128 -1.251) 7.796 8.423 ( 3.848 -7.319 -7.584) 11.220 8.821 ( 7.282 0.399 -2.128) 7.597 8.939 ( -3.060 -0.234 6.999) 7.643 9.116 ( 0.647 2.143 -7.369) 7.702 9.333 ( 0.726 -2.186 -5.153) 5.645 9.803 ( 6.704 0.766 -13.935) 15.483 11.082 ( -13.134 -15.402 27.131) 33.850 11.491 ( -26.817 -6.141 6.812) 28.342 11.751 ( -7.655 3.378 11.393) 14.135 12.033 ( -0.818 -4.166 0.869) 4.334 12.423 ( 14.705 9.496 0.181) 17.506 12.546 ( -5.695 -11.067 11.624) 17.030 13.278 ( 7.445 2.722 6.411) 10.195 13.988 ( -13.020 -5.006 -0.563) 13.960 14.790 ( 18.035 1.112 -34.840) 39.247 15.397 ( 10.957 -2.563 -13.841) 17.838 17.504 ( -3.798 13.508 3.874) 14.557 18.191 ( -7.614 2.992 14.850) 16.954 18.508 ( 5.212 1.923 6.086) 8.241 18.793 ( 32.266 14.099 13.828) 37.829 20.648 ( 2.905 -2.046 7.500) 8.299 21.263 ( -27.054 -8.749 -35.931) 45.820 ======================= Grid point 211 (95/227) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -54.326 10.598 -13.144) 56.889 1.776 ( -14.637 23.790 18.765) 33.651 1.894 ( -5.422 12.043 0.218) 13.210 2.335 ( -8.999 -1.509 18.734) 20.838 2.450 ( -10.171 5.661 1.474) 11.734 3.290 ( -18.440 34.400 34.916) 52.369 4.079 ( 3.191 3.507 -12.206) 13.094 4.618 ( -1.299 -7.809 1.401) 8.040 4.900 ( -7.932 0.704 14.830) 16.833 4.987 ( 0.797 5.535 4.917) 7.446 5.142 ( 8.650 -0.122 -17.869) 19.853 5.610 ( 9.150 -4.541 -5.264) 11.492 5.797 ( 5.853 -11.944 -8.829) 15.965 6.601 ( 8.910 16.036 0.577) 18.354 6.784 ( 10.418 -6.214 -17.767) 21.513 6.999 ( 16.717 0.609 5.969) 17.761 7.268 ( -5.217 -7.699 3.348) 9.884 7.489 ( 4.249 0.911 -13.585) 14.263 7.765 ( -7.789 -9.747 17.038) 21.118 7.853 ( -9.270 -1.115 5.144) 10.660 8.610 ( 1.985 -13.718 -1.715) 13.966 8.883 ( 7.638 1.020 -3.155) 8.327 8.902 ( -4.702 5.322 10.948) 13.049 9.098 ( 4.041 -2.029 -3.747) 5.873 9.370 ( 2.968 -2.471 -4.592) 5.999 9.808 ( 7.536 -0.438 -14.321) 16.188 11.085 ( -14.272 2.518 6.586) 15.919 11.351 ( -16.122 5.678 11.520) 20.612 11.867 ( -5.042 -13.954 5.855) 15.950 12.178 ( -7.567 -24.573 20.750) 33.040 12.415 ( 8.203 7.648 -2.476) 11.485 12.753 ( -7.256 -16.188 11.969) 21.400 13.331 ( 4.233 3.517 5.337) 7.667 13.909 ( -12.725 -3.333 3.288) 13.559 14.856 ( 22.313 -3.306 -33.647) 40.508 15.565 ( 8.536 -12.853 -5.797) 16.483 17.256 ( -1.559 15.150 2.221) 15.391 18.123 ( -5.355 6.574 13.219) 15.705 18.562 ( 0.692 -0.838 5.655) 5.759 19.103 ( 59.576 23.975 16.180) 66.226 20.522 ( -42.086 -3.144 -31.583) 52.712 20.903 ( -8.841 0.585 -5.977) 10.688 ======================= Grid point 212 (96/227) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 15.878 8.836 27.533) 32.989 1.495 ( -12.413 8.466 33.204) 36.445 1.709 ( -3.011 7.047 5.980) 9.721 2.252 ( -10.838 2.208 4.991) 12.134 2.391 ( -5.639 0.495 17.373) 18.272 2.760 ( -21.776 27.282 45.831) 57.611 3.965 ( 0.258 3.122 -14.856) 15.183 4.679 ( -4.184 -3.193 -5.475) 7.595 4.888 ( -4.216 2.294 12.835) 13.703 4.975 ( -1.676 -4.655 -4.706) 6.828 5.174 ( 3.367 -5.701 -7.647) 10.115 5.577 ( -5.594 2.176 -17.862) 18.844 5.983 ( 2.284 -7.509 -9.433) 12.272 6.347 ( -1.530 17.892 -4.167) 18.434 6.794 ( 7.700 1.440 -18.827) 20.392 7.223 ( 14.850 -0.696 -4.302) 15.476 7.328 ( -0.381 -3.299 2.716) 4.290 7.423 ( 6.194 4.387 -11.607) 13.868 7.835 ( -4.880 -0.801 14.564) 15.381 7.973 ( -7.547 -13.179 22.483) 27.132 8.767 ( -7.453 5.326 14.212) 16.909 8.820 ( 2.940 -3.956 0.158) 4.931 8.928 ( 6.325 2.238 -1.124) 6.803 9.284 ( 7.769 -11.564 0.621) 13.945 9.414 ( 3.891 -1.724 -6.094) 7.433 9.829 ( 7.542 -0.270 -13.036) 15.063 10.927 ( -8.474 6.404 10.845) 15.181 11.099 ( -12.149 8.209 10.314) 17.926 11.924 ( 3.615 -0.959 -9.991) 10.668 12.338 ( -0.544 4.292 -6.315) 7.655 12.740 ( -7.313 -25.683 13.284) 29.825 13.065 ( -5.551 -26.950 11.275) 29.736 13.310 ( -5.672 1.012 2.708) 6.366 13.844 ( -9.323 -1.944 3.787) 10.249 15.046 ( 26.722 -4.969 -25.911) 37.552 16.004 ( -5.064 -43.079 -2.331) 43.439 17.039 ( -0.329 10.795 0.692) 10.822 17.900 ( -4.594 28.420 -4.173) 29.090 18.607 ( -2.952 -1.652 5.070) 6.095 18.991 ( -36.348 30.187 -28.842) 55.356 20.183 ( 51.613 1.418 18.879) 54.976 20.860 ( -4.897 1.071 6.260) 8.020 ======================= Grid point 214 (97/227) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -5.669 -0.000 35.731) 36.178 2.021 ( 13.834 0.000 8.712) 16.349 2.095 ( 0.846 0.000 -3.329) 3.435 2.412 ( -6.055 -0.000 3.022) 6.767 2.605 ( -13.936 -0.000 50.704) 52.584 3.494 ( 49.963 0.000 21.628) 54.444 3.564 ( -37.086 -0.000 -14.621) 39.864 3.715 ( 3.451 0.000 -13.803) 14.228 4.750 ( -5.669 -0.000 -1.210) 5.797 4.977 ( -3.333 -0.000 10.964) 11.460 5.097 ( 3.097 0.000 -13.479) 13.831 5.206 ( 5.638 0.000 0.606) 5.671 5.751 ( -1.145 -0.000 -3.048) 3.256 6.201 ( 1.151 0.000 -3.952) 4.116 6.829 ( 10.512 0.000 -16.723) 19.753 7.295 ( 15.897 0.000 -31.546) 35.325 7.317 ( -5.299 -0.000 -0.856) 5.368 7.430 ( -10.172 -0.000 19.744) 22.210 7.967 ( -2.573 -0.000 7.086) 7.539 8.335 ( -6.176 -0.000 5.358) 8.176 8.633 ( -9.823 -0.000 17.849) 20.374 8.988 ( 0.997 0.000 -4.388) 4.500 9.031 ( 0.593 0.000 5.411) 5.443 9.359 ( 2.221 0.000 -8.026) 8.328 9.522 ( -4.118 -0.000 0.271) 4.127 9.865 ( 3.605 0.000 -10.959) 11.537 10.578 ( -18.340 -0.000 13.448) 22.742 11.508 ( 14.078 0.000 9.628) 17.055 11.794 ( -25.270 -0.000 3.168) 25.468 11.989 ( 6.957 0.000 -8.545) 11.019 12.220 ( -31.659 -0.000 20.360) 37.641 12.893 ( -2.529 -0.000 7.079) 7.517 13.545 ( 12.198 0.000 2.727) 12.499 13.741 ( 0.575 0.000 -2.714) 2.774 15.359 ( -5.685 -0.000 -20.727) 21.492 15.924 ( 25.019 0.000 -0.012) 25.019 16.937 ( 0.641 0.000 -0.864) 1.076 17.031 ( 3.304 0.000 1.054) 3.468 18.154 ( -11.692 -0.000 18.533) 21.913 18.700 ( -2.876 -0.000 8.031) 8.531 20.406 ( -15.750 -0.000 -3.856) 16.215 22.229 ( 25.377 0.000 -30.391) 39.593 ======================= Grid point 215 (98/227) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -2.914 -4.853 28.237) 28.799 1.997 ( 1.713 6.853 -2.468) 7.482 2.313 ( 7.362 -10.970 1.283) 13.273 2.371 ( 5.243 0.333 -4.521) 6.931 2.935 ( -10.765 -23.631 42.897) 50.144 3.222 ( -20.966 -2.729 7.442) 22.415 3.699 ( 3.969 -3.245 -11.685) 12.760 4.049 ( 31.550 -0.317 -3.101) 31.704 4.662 ( -5.444 2.973 4.716) 7.792 4.970 ( -2.643 2.107 6.531) 7.354 5.130 ( 3.575 -4.963 -6.117) 8.651 5.299 ( 13.394 4.088 6.414) 15.402 5.839 ( 1.355 -11.242 -3.697) 11.911 6.117 ( 1.326 8.256 -4.335) 9.418 6.845 ( 10.553 2.213 -16.738) 19.911 7.243 ( -5.361 2.506 3.953) 7.116 7.343 ( 6.427 -2.412 -14.788) 16.304 7.425 ( -5.494 -3.374 6.846) 9.404 7.911 ( -6.236 3.410 -1.315) 7.228 8.047 ( -18.328 15.240 3.411) 24.079 8.695 ( -10.061 -5.782 15.454) 19.326 8.921 ( -1.142 3.141 -1.223) 3.559 9.101 ( -1.463 -4.512 1.738) 5.052 9.277 ( -4.008 19.891 4.242) 20.729 9.363 ( 2.448 -1.564 -11.741) 12.095 9.851 ( 1.002 -2.133 -10.363) 10.628 10.569 ( -19.740 -12.512 15.144) 27.849 11.587 ( -25.638 -4.586 23.395) 35.009 11.695 ( 7.464 -2.030 6.161) 9.889 11.985 ( 4.961 4.625 -3.588) 7.673 12.121 ( 3.728 0.943 3.149) 4.970 12.848 ( -1.967 7.174 7.317) 10.434 13.562 ( 14.286 16.816 2.340) 22.188 13.737 ( 2.489 0.023 -5.165) 5.733 15.242 ( 6.659 0.828 -21.128) 22.168 16.045 ( 13.295 11.907 -4.162) 18.326 17.059 ( -0.427 -15.156 1.623) 15.249 17.280 ( 1.744 -20.296 2.428) 20.515 18.145 ( -10.728 -3.204 17.117) 20.454 18.697 ( -3.639 1.281 8.459) 9.298 20.240 ( -8.351 -0.352 -4.289) 9.394 22.182 ( 5.211 5.858 -27.584) 28.677 ======================= Grid point 216 (99/227) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 5.519 4.350 -0.411) 7.039 2.181 ( 7.563 -12.990 12.528) 19.567 2.443 ( 9.755 -4.387 -1.002) 10.743 2.629 ( 9.649 -9.202 7.179) 15.143 3.214 ( -5.916 -5.876 19.109) 20.849 3.427 ( -4.192 -22.067 24.160) 32.988 3.769 ( 6.232 -4.774 -9.479) 12.308 4.209 ( 12.889 2.292 -19.502) 23.488 4.612 ( -5.880 0.011 10.274) 11.838 4.947 ( -1.950 0.803 5.869) 6.236 5.220 ( 0.559 -4.361 -0.881) 4.484 5.414 ( 9.145 2.311 2.826) 9.847 5.971 ( 3.659 8.258 -2.885) 9.482 6.050 ( 2.796 -10.257 -3.047) 11.060 6.824 ( 7.898 3.360 -13.159) 15.710 7.158 ( -4.045 5.213 4.614) 8.051 7.235 ( -25.612 2.515 5.477) 26.311 7.478 ( 3.409 -2.114 -9.948) 10.727 7.583 ( -9.164 7.776 -5.260) 13.119 7.814 ( -5.669 6.981 11.553) 14.641 8.671 ( -4.058 8.556 7.234) 11.916 8.869 ( -2.628 0.954 0.350) 2.818 8.924 ( -5.592 12.365 3.712) 14.069 9.166 ( -3.593 -5.803 -1.574) 7.004 9.376 ( 2.898 -2.237 -10.931) 11.527 9.848 ( 1.237 -2.569 -9.368) 9.792 10.599 ( -19.771 -7.339 21.216) 29.914 11.596 ( -14.616 -8.241 22.666) 28.201 11.801 ( -1.479 -3.019 3.939) 5.178 11.976 ( 8.650 4.404 -2.873) 10.123 12.224 ( 17.321 3.571 1.768) 17.773 12.720 ( -1.977 10.229 7.571) 12.878 13.428 ( 13.029 19.319 1.012) 23.324 13.746 ( 3.448 -1.248 -7.543) 8.387 15.230 ( 10.692 0.151 -20.351) 22.989 15.868 ( 4.363 14.849 -13.971) 20.850 17.350 ( -1.610 -18.425 4.925) 19.139 17.641 ( -0.299 -20.976 3.763) 21.313 18.186 ( -10.753 -5.925 15.941) 20.121 18.670 ( -3.824 2.072 8.226) 9.305 20.203 ( 2.709 -0.818 -0.159) 2.835 21.936 ( -6.983 5.083 -23.810) 25.328 ======================= Grid point 217 (100/227) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 5.415 0.997 7.268) 9.118 2.514 ( 15.112 -1.380 -1.320) 15.232 2.664 ( 6.509 -9.686 6.067) 13.153 2.945 ( 2.899 -17.234 10.850) 20.570 3.463 ( 15.593 -5.745 18.481) 24.853 3.724 ( -4.631 -5.940 11.224) 13.517 3.840 ( 13.096 -0.640 -12.816) 18.335 4.129 ( -1.235 2.922 -23.266) 23.481 4.632 ( -7.807 -3.296 15.482) 17.650 4.995 ( 0.985 -4.621 4.427) 6.475 5.248 ( -4.104 -1.634 2.864) 5.265 5.467 ( 2.767 -1.282 -3.789) 4.863 5.864 ( -5.218 4.119 -1.159) 6.748 6.125 ( -0.673 0.366 -10.136) 10.165 6.798 ( 0.703 -0.897 -5.258) 5.380 6.843 ( -20.647 0.387 -1.251) 20.689 7.106 ( 0.286 4.933 5.651) 7.506 7.402 ( 0.283 8.332 -1.589) 8.487 7.528 ( -2.361 2.086 16.895) 17.187 7.723 ( -3.928 4.812 7.290) 9.578 8.466 ( 2.753 11.207 -6.191) 13.096 8.786 ( -2.254 1.657 0.440) 2.832 8.861 ( -3.349 0.397 5.256) 6.245 9.193 ( -5.535 -5.737 -3.140) 8.568 9.365 ( 1.631 -0.772 -12.477) 12.607 9.858 ( 2.363 -1.836 -7.942) 8.487 10.591 ( -17.356 -3.481 25.009) 30.640 11.697 ( -5.813 -5.566 14.536) 16.615 11.785 ( -13.137 -3.331 2.268) 13.741 11.992 ( 4.477 2.622 -0.113) 5.189 12.405 ( 24.980 8.561 5.474) 26.968 12.590 ( -0.663 7.436 6.341) 9.795 13.304 ( 11.155 13.094 -0.073) 17.202 13.773 ( 2.681 -3.176 -8.922) 9.843 15.242 ( 11.323 1.946 -18.705) 21.951 15.576 ( 0.627 11.875 -21.950) 24.964 17.607 ( -3.722 -12.569 7.537) 15.121 17.987 ( 5.974 -17.306 2.775) 18.517 18.237 ( -11.847 -5.995 14.775) 19.865 18.640 ( -3.446 1.618 7.927) 8.794 20.310 ( 9.886 -0.664 5.614) 11.388 21.634 ( -14.942 0.973 -22.301) 26.862 ======================= Grid point 218 (101/227) ======================= q-point: (-0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 3.785 -0.342 11.938) 12.528 2.535 ( -3.052 4.151 1.817) 5.463 2.833 ( 0.438 -2.179 -3.260) 3.945 3.349 ( 2.173 -18.259 3.654) 18.747 3.553 ( -12.825 7.646 8.430) 17.146 3.725 ( -15.548 9.877 -24.682) 30.797 3.894 ( 17.056 -4.072 -5.248) 18.304 4.175 ( 27.132 -7.486 16.600) 32.676 4.666 ( -4.493 0.317 13.334) 14.074 5.100 ( 6.319 -0.708 -4.654) 7.880 5.264 ( -6.393 -4.913 7.174) 10.793 5.469 ( 0.379 0.200 -6.052) 6.067 5.681 ( -8.153 4.783 -3.594) 10.113 6.038 ( 2.966 1.319 -9.938) 10.455 6.745 ( -6.767 -2.690 3.979) 8.298 6.857 ( -2.865 -9.776 2.132) 10.408 7.079 ( 1.815 4.627 5.882) 7.700 7.261 ( -1.103 7.231 2.918) 7.875 7.530 ( -3.697 6.088 14.481) 16.138 7.685 ( -3.363 -0.637 13.183) 13.620 8.362 ( 5.079 2.842 -11.141) 12.570 8.773 ( 1.287 -0.002 0.960) 1.605 8.845 ( -1.834 0.249 2.689) 3.264 9.194 ( -4.887 -4.254 -2.829) 7.070 9.305 ( 0.636 0.577 -14.632) 14.657 9.867 ( 3.103 -0.239 -7.143) 7.791 10.594 ( -15.007 -3.605 26.046) 30.275 11.635 ( -22.447 -3.017 0.851) 22.665 11.782 ( -1.031 -2.527 8.373) 8.807 11.985 ( 0.397 2.786 2.627) 3.850 12.447 ( -0.644 5.937 9.047) 10.840 12.651 ( 23.690 8.342 2.978) 25.292 13.282 ( 10.344 5.546 0.173) 11.738 13.805 ( -0.236 -4.593 -8.406) 9.582 15.158 ( 5.820 9.763 -21.778) 24.565 15.369 ( 7.371 1.774 -22.765) 23.994 17.734 ( -5.589 -5.582 7.010) 10.561 18.245 ( -10.364 -3.234 14.545) 18.150 18.360 ( 12.609 -9.468 2.996) 16.050 18.654 ( 1.934 -1.714 8.943) 9.309 20.479 ( 10.207 -0.202 8.942) 13.572 21.328 ( -21.068 -3.631 -22.958) 31.371 ======================= Grid point 219 (102/227) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 2.955 0.858 12.576) 12.947 2.368 ( -15.089 6.209 1.284) 16.367 2.663 ( -22.556 5.454 -11.586) 25.937 3.010 ( -21.728 11.206 -12.841) 27.614 3.225 ( -7.162 22.708 -4.036) 24.150 3.812 ( -2.485 -19.782 13.714) 24.199 4.082 ( 11.889 -2.951 -10.094) 15.873 4.587 ( -0.726 5.285 9.636) 11.014 4.775 ( 23.910 -1.733 18.161) 30.075 5.136 ( 8.872 0.537 -11.247) 14.335 5.255 ( -0.948 2.162 1.265) 2.678 5.471 ( 0.837 -1.247 1.522) 2.138 5.532 ( -2.491 5.514 1.156) 6.160 6.081 ( 7.577 -6.892 -11.655) 15.516 6.774 ( -3.681 -5.603 5.694) 8.796 6.996 ( -1.246 -5.172 2.435) 5.851 7.053 ( 4.138 5.904 6.379) 9.627 7.230 ( -2.132 -3.797 1.909) 4.755 7.478 ( -3.050 1.660 13.753) 14.184 7.755 ( -6.430 -4.207 13.413) 15.458 8.340 ( 4.943 0.022 -11.160) 12.206 8.818 ( 3.227 -1.258 1.562) 3.799 8.852 ( -0.032 -1.590 0.697) 1.736 9.173 ( -2.794 -0.046 -5.436) 6.112 9.238 ( 0.403 -2.247 -11.073) 11.305 9.857 ( 3.603 1.467 -7.497) 8.446 10.653 ( -13.883 -7.174 27.452) 31.588 11.399 ( -25.582 -2.120 1.648) 25.723 11.852 ( -1.005 -3.274 5.055) 6.106 11.940 ( -1.237 4.055 3.223) 5.325 12.410 ( -4.087 0.951 8.991) 9.923 12.764 ( 19.565 11.055 0.693) 22.483 13.346 ( 9.128 1.767 1.160) 9.369 13.815 ( -4.683 -4.554 -5.062) 8.264 14.940 ( 8.177 7.620 -29.346) 31.403 15.366 ( 10.321 -0.269 -17.919) 20.681 17.742 ( -5.004 0.926 5.659) 7.611 18.232 ( -10.182 -0.693 15.103) 18.228 18.508 ( -0.068 -0.403 5.078) 5.095 18.963 ( 29.773 -4.619 9.225) 31.510 20.615 ( 3.399 -0.005 6.845) 7.642 21.017 ( -24.626 -6.257 -22.922) 34.219 ======================= Grid point 220 (103/227) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -36.478 14.357 -13.265) 41.385 2.276 ( 0.559 2.938 14.808) 15.107 2.307 ( -8.908 7.290 -0.060) 11.511 2.653 ( -11.125 11.968 -1.801) 16.439 2.750 ( -5.088 26.376 4.490) 27.235 4.055 ( -5.551 -1.040 15.912) 16.885 4.156 ( 7.177 -0.671 -13.796) 15.565 4.432 ( -3.900 7.519 6.194) 10.493 4.962 ( -2.809 3.485 9.402) 10.413 5.146 ( 8.997 1.521 -19.115) 21.181 5.319 ( 3.426 4.928 13.768) 15.019 5.393 ( 0.555 0.082 -2.368) 2.434 5.583 ( 6.291 -3.149 -2.877) 7.601 6.306 ( 6.977 -16.989 -10.472) 21.141 6.898 ( 0.506 -7.367 6.820) 10.051 7.011 ( -2.007 4.278 1.855) 5.076 7.051 ( 8.005 2.994 5.235) 10.022 7.317 ( -1.855 -8.461 -0.747) 8.694 7.575 ( -0.081 -6.106 8.770) 10.687 7.789 ( -9.062 -2.957 12.356) 15.606 8.354 ( 4.933 -2.277 -10.768) 12.061 8.893 ( 4.055 -1.776 0.838) 4.506 8.897 ( 0.771 -2.894 -0.090) 2.996 9.107 ( -0.451 0.895 -4.610) 4.717 9.261 ( 1.461 -4.027 -5.944) 7.327 9.830 ( 4.694 1.863 -9.355) 10.631 10.812 ( -14.103 -13.949 29.745) 35.752 11.174 ( -20.362 -1.835 6.657) 21.501 11.836 ( -3.135 6.700 6.059) 9.561 11.941 ( -1.436 -5.005 0.473) 5.229 12.426 ( -4.408 -3.270 9.656) 11.107 12.744 ( 9.888 11.800 -3.272) 15.739 13.418 ( 5.476 1.521 1.109) 5.790 13.791 ( -7.184 -3.267 -0.045) 7.892 14.828 ( 15.045 1.924 -32.629) 35.982 15.404 ( 9.343 -1.352 -15.122) 17.827 17.655 ( -3.177 7.486 4.773) 9.429 18.206 ( -8.730 0.738 16.547) 18.723 18.528 ( -1.970 -0.777 5.825) 6.198 19.475 ( 43.933 0.234 6.958) 44.481 20.461 ( -29.006 -0.795 -19.443) 34.928 20.846 ( -4.785 -2.986 0.411) 5.656 ======================= Grid point 221 (104/227) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 13.109 16.406 14.388) 25.457 2.102 ( 1.461 14.937 2.591) 15.230 2.189 ( -5.117 23.983 5.823) 25.205 2.287 ( -12.425 6.364 16.852) 21.883 2.493 ( -1.911 6.095 5.898) 8.694 3.787 ( -11.766 28.085 22.517) 37.871 4.111 ( 3.027 4.153 -15.254) 16.096 4.473 ( -2.666 -7.832 4.721) 9.526 4.883 ( -9.507 1.418 10.208) 14.021 5.080 ( 2.248 4.802 -15.083) 15.988 5.199 ( -0.269 7.796 2.545) 8.205 5.480 ( -4.567 -6.559 -10.153) 12.921 5.679 ( 5.370 -5.992 -8.363) 11.606 6.582 ( 3.566 -16.232 -14.923) 22.336 6.856 ( -2.503 11.087 -1.555) 11.472 7.095 ( -0.748 -10.121 7.238) 12.465 7.164 ( 6.624 -2.379 4.283) 8.239 7.414 ( -0.845 -7.560 -4.066) 8.626 7.699 ( 0.976 -3.844 2.998) 4.972 7.810 ( -4.977 -1.495 16.630) 17.423 8.434 ( 4.132 -8.622 -7.530) 12.170 8.943 ( -2.407 -0.827 6.350) 6.841 8.972 ( 8.748 -0.348 -4.231) 9.724 9.091 ( -1.002 -0.929 0.643) 1.510 9.325 ( 3.925 -3.754 -5.828) 7.967 9.819 ( 6.732 0.325 -12.094) 13.845 10.982 ( -6.314 -2.731 13.495) 15.148 11.197 ( -14.478 -17.148 27.895) 35.802 11.710 ( -6.442 4.768 9.822) 12.677 12.001 ( -1.517 -4.894 0.194) 5.128 12.532 ( -4.238 -9.521 10.105) 14.516 12.592 ( -0.183 10.212 -6.673) 12.201 13.408 ( -2.257 2.751 -0.738) 3.634 13.766 ( -5.396 -1.969 2.672) 6.335 14.882 ( 20.892 -3.779 -29.395) 36.260 15.463 ( 6.446 -4.365 -13.313) 15.422 17.489 ( -1.168 13.150 4.483) 13.942 18.185 ( -7.260 2.057 17.241) 18.820 18.555 ( -2.179 -1.620 5.380) 6.027 19.656 ( -29.721 7.462 -37.210) 48.203 20.248 ( 39.331 2.187 14.179) 41.866 20.861 ( -2.666 -1.457 3.762) 4.836 ======================= Grid point 222 (105/227) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 53.149 8.137 34.040) 63.638 1.790 ( -1.969 22.331 23.971) 32.820 1.930 ( 6.813 13.891 5.250) 16.338 2.176 ( -8.918 0.251 5.477) 10.468 2.470 ( -0.255 3.943 11.878) 12.518 3.280 ( -14.482 33.706 35.039) 50.730 3.959 ( 0.280 5.621 -15.867) 16.836 4.511 ( -11.625 -2.121 -7.054) 13.763 4.816 ( -14.092 -4.852 4.527) 15.576 4.935 ( -5.619 2.974 6.256) 8.919 5.135 ( 4.486 1.071 -11.826) 12.693 5.357 ( -8.413 -0.385 -18.071) 19.937 5.834 ( 5.894 -9.880 -9.516) 14.930 6.519 ( -11.377 14.623 -10.289) 21.193 6.736 ( 6.769 -5.176 -15.510) 17.697 7.260 ( 3.697 -4.555 -0.574) 5.894 7.287 ( -0.860 -5.283 6.283) 8.254 7.493 ( 3.015 -0.987 -6.139) 6.910 7.783 ( -5.032 -7.566 12.551) 15.495 7.915 ( 4.626 -2.764 11.606) 12.796 8.645 ( 1.890 -14.216 -0.406) 14.347 8.910 ( -5.308 5.243 11.430) 13.650 9.037 ( 6.352 2.393 -0.167) 6.789 9.152 ( -0.448 -9.069 -1.161) 9.154 9.392 ( 5.003 -2.396 -7.393) 9.243 9.842 ( 8.219 -0.614 -13.354) 15.692 11.044 ( 6.002 3.933 12.894) 14.757 11.242 ( -8.630 10.235 14.312) 19.598 11.829 ( -3.410 -14.443 4.697) 15.566 12.145 ( -12.415 -21.515 16.650) 29.904 12.363 ( -8.482 5.288 -7.091) 12.255 12.736 ( -6.096 -14.920 12.155) 20.187 13.274 ( -8.654 3.841 -2.709) 9.848 13.755 ( -3.148 -1.243 1.628) 3.756 15.106 ( 23.453 -8.572 -20.208) 32.123 15.548 ( 1.559 -9.370 -13.380) 16.409 17.272 ( 0.162 15.881 4.113) 16.406 18.113 ( -7.396 11.136 7.034) 15.106 18.506 ( -21.392 7.384 -6.114) 23.442 18.769 ( -27.278 14.562 -9.404) 32.320 20.715 ( -3.091 -2.371 5.754) 6.949 21.096 ( 56.859 -5.015 -1.333) 57.096 ======================= Grid point 225 (106/227) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 5.872 0.000 25.290) 25.962 2.108 ( 4.596 0.000 -6.216) 7.730 2.240 ( 6.787 0.000 0.459) 6.803 2.553 ( 17.970 0.000 4.391) 18.498 2.817 ( -15.820 -0.000 52.267) 54.609 3.130 ( -4.266 -0.000 19.172) 19.641 3.672 ( 6.205 0.000 -10.615) 12.295 4.247 ( 15.609 0.000 -21.381) 26.472 4.655 ( -5.610 -0.000 6.139) 8.316 5.006 ( -3.620 -0.000 9.462) 10.131 5.082 ( 6.054 0.000 -11.616) 13.099 5.600 ( 14.859 0.000 13.879) 20.333 5.709 ( 0.124 0.000 -2.994) 2.996 6.202 ( 2.876 0.000 -3.650) 4.646 6.893 ( 11.033 0.000 -18.694) 21.707 7.219 ( 1.042 0.000 -6.881) 6.960 7.255 ( -31.834 -0.000 11.313) 33.784 7.342 ( 13.242 0.000 -21.313) 25.091 7.724 ( -14.227 -0.000 -13.866) 19.866 8.079 ( -13.323 -0.000 20.090) 24.106 8.606 ( -8.962 -0.000 17.567) 19.721 8.872 ( -6.026 -0.000 -4.055) 7.263 9.067 ( -2.525 -0.000 4.696) 5.332 9.303 ( 0.176 0.000 -12.624) 12.625 9.475 ( 0.362 0.000 4.228) 4.243 9.766 ( -3.953 -0.000 -1.389) 4.190 10.375 ( -9.368 -0.000 13.393) 16.344 11.411 ( -22.432 -0.000 31.114) 38.357 11.747 ( -0.626 -0.000 2.335) 2.418 12.024 ( 4.838 0.000 -9.393) 10.565 12.303 ( 21.235 0.000 4.133) 21.634 12.930 ( -1.280 -0.000 6.943) 7.060 13.740 ( 2.576 0.000 -4.601) 5.273 13.917 ( 17.649 0.000 1.266) 17.694 15.226 ( 9.940 0.000 -20.803) 23.056 16.207 ( -1.313 -0.000 -5.076) 5.243 16.948 ( 1.071 0.000 -0.649) 1.252 17.126 ( 1.707 0.000 2.103) 2.709 18.081 ( -10.798 -0.000 16.267) 19.525 18.710 ( -4.093 -0.000 8.876) 9.774 20.190 ( 3.066 0.000 -0.403) 3.093 22.040 ( -9.911 -0.000 -27.746) 29.463 ======================= Grid point 226 (107/227) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 3.950 5.463 0.860) 6.796 2.254 ( 4.368 -3.400 28.086) 28.627 2.437 ( 9.121 -7.339 -0.028) 11.707 2.756 ( 11.416 0.696 8.539) 14.273 3.136 ( -11.101 -23.054 40.519) 47.922 3.352 ( 23.824 -1.472 20.414) 31.408 3.733 ( 8.373 -3.920 -8.884) 12.822 4.212 ( 4.045 1.531 -27.906) 28.240 4.582 ( -8.513 1.908 2.829) 9.171 4.988 ( -3.080 2.189 9.242) 9.984 5.138 ( 3.513 -4.452 -7.487) 9.393 5.585 ( 1.985 7.670 1.473) 8.059 5.901 ( -0.116 -9.836 1.007) 9.888 6.142 ( 3.297 8.627 -4.914) 10.461 6.796 ( -31.493 0.917 -6.994) 32.273 6.911 ( 4.946 0.724 -17.676) 18.370 7.219 ( 2.376 -0.078 -3.693) 4.392 7.419 ( 11.161 -3.749 -17.298) 20.925 7.590 ( -5.843 1.599 9.021) 10.866 7.961 ( -9.482 9.669 19.077) 23.395 8.655 ( -7.986 -4.662 15.432) 17.990 8.795 ( -6.202 -2.179 -3.419) 7.409 9.034 ( -5.217 3.058 1.354) 6.197 9.185 ( -3.659 7.548 -2.579) 8.776 9.384 ( 4.677 8.377 -3.223) 10.121 9.765 ( -1.262 -3.235 -2.313) 4.172 10.432 ( -8.730 -6.798 16.547) 19.905 11.415 ( -16.211 -7.829 28.860) 34.014 11.691 ( -12.456 -1.772 -0.212) 12.583 12.044 ( 7.399 -0.084 -9.246) 11.843 12.605 ( 30.564 3.469 4.092) 31.031 12.888 ( -1.837 7.486 7.351) 10.651 13.744 ( 2.577 0.414 -3.604) 4.450 13.949 ( 17.516 20.102 -1.167) 26.688 15.253 ( 12.213 -0.195 -18.703) 22.338 15.980 ( -8.437 10.693 -16.458) 21.364 17.083 ( 0.709 -14.857 1.554) 14.955 17.319 ( -0.087 -19.041 1.393) 19.092 18.074 ( -9.830 -3.004 15.789) 18.840 18.698 ( -4.245 1.297 8.575) 9.655 20.297 ( 11.340 -0.186 6.026) 12.843 21.707 ( -18.817 2.191 -24.848) 31.246 ======================= Grid point 227 (108/227) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 4.758 1.210 5.553) 7.412 2.537 ( -1.211 -5.915 14.889) 16.066 2.583 ( -2.107 -11.112 10.206) 15.234 2.896 ( 5.731 -0.950 6.018) 8.364 3.533 ( -6.292 -15.026 19.091) 25.097 3.834 ( 16.543 -3.570 -5.869) 17.912 3.944 ( -14.905 3.742 -31.302) 34.870 3.962 ( 36.101 -4.566 14.738) 39.260 4.507 ( -10.173 -5.331 12.081) 16.669 4.984 ( -4.094 -0.128 12.381) 13.041 5.188 ( 1.576 -2.080 -5.362) 5.964 5.487 ( 0.062 3.778 -4.417) 5.812 5.921 ( -5.286 9.742 -12.181) 16.469 5.966 ( -4.887 -5.483 -2.855) 7.880 6.587 ( -7.487 -4.521 0.910) 8.793 6.864 ( 6.593 4.374 -13.193) 15.384 7.215 ( 1.817 3.170 1.240) 3.858 7.485 ( 6.166 0.422 -9.571) 11.393 7.590 ( -4.865 0.176 16.530) 17.232 7.809 ( -6.769 7.772 13.763) 17.194 8.654 ( -2.970 7.262 5.058) 9.335 8.757 ( -4.208 -0.466 -2.896) 5.129 8.844 ( -6.240 3.983 5.061) 8.967 9.096 ( -2.580 0.326 2.756) 3.790 9.318 ( 2.627 1.839 -11.751) 12.181 9.798 ( 0.831 -3.390 -4.486) 5.684 10.507 ( -10.833 -3.527 21.892) 24.679 11.513 ( -18.484 -4.282 3.602) 19.313 11.583 ( -11.620 -9.863 17.214) 22.992 12.079 ( 6.922 1.636 -6.293) 9.497 12.750 ( -2.604 10.888 7.621) 13.543 12.900 ( 30.275 6.822 3.030) 31.182 13.740 ( 10.267 14.789 -9.022) 20.137 13.753 ( 5.571 9.649 3.135) 11.574 15.297 ( 12.190 0.606 -17.037) 20.957 15.595 ( -6.546 10.586 -26.191) 28.998 17.358 ( -3.264 -16.914 4.302) 17.755 17.731 ( 8.269 -26.505 0.304) 27.767 18.109 ( -8.528 -3.832 15.688) 18.262 18.669 ( -3.996 1.645 8.279) 9.339 20.483 ( 12.064 0.317 10.181) 15.789 21.305 ( -23.365 1.417 -21.870) 32.035 ======================= Grid point 228 (109/227) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 5.023 -0.551 10.779) 11.904 2.491 ( -11.513 0.610 3.046) 11.925 2.799 ( -4.829 2.509 -2.931) 6.181 3.045 ( -6.440 -19.323 12.035) 23.658 3.346 ( -25.500 6.251 -21.768) 34.106 3.660 ( -5.843 1.872 3.154) 6.898 3.984 ( 15.233 -1.945 -14.830) 21.348 4.586 ( 18.351 -3.196 18.425) 26.200 4.659 ( 12.298 -8.383 15.043) 21.162 5.073 ( -4.293 -9.245 14.378) 17.625 5.197 ( 5.351 1.424 -5.340) 7.693 5.445 ( 2.879 0.128 -7.967) 8.472 5.696 ( 0.013 6.682 -8.648) 10.929 5.985 ( -1.569 -3.916 -2.828) 5.079 6.633 ( -2.761 -5.205 2.493) 6.398 6.796 ( 2.312 2.997 -4.802) 6.115 7.176 ( -0.245 3.681 2.689) 4.565 7.425 ( 1.051 8.580 0.770) 8.678 7.621 ( -5.085 1.268 16.183) 17.010 7.715 ( -5.494 3.354 10.716) 12.500 8.459 ( 3.016 10.165 -6.970) 12.689 8.753 ( -0.860 -3.367 0.121) 3.477 8.828 ( -4.308 -1.377 5.457) 7.087 9.097 ( -2.782 -2.179 2.095) 4.108 9.240 ( 0.930 1.138 -15.624) 15.692 9.837 ( 2.000 -2.761 -5.831) 6.755 10.541 ( -11.579 -1.784 24.673) 27.313 11.318 ( -21.900 -2.753 1.440) 22.119 11.749 ( -4.962 -7.680 15.880) 18.324 12.066 ( 3.701 4.799 -2.147) 6.430 12.589 ( -3.150 9.823 7.524) 12.768 13.091 ( 23.135 9.353 0.115) 24.954 13.534 ( 10.064 14.315 -7.929) 19.211 13.755 ( 0.473 0.687 1.873) 2.050 15.218 ( 1.080 9.193 -28.633) 30.092 15.358 ( 9.513 -0.145 -19.309) 21.525 17.565 ( -4.826 -12.016 4.835) 13.822 18.127 ( -9.587 -6.991 12.837) 17.480 18.322 ( 16.707 -18.069 2.415) 24.728 18.678 ( 0.804 -3.594 8.961) 9.688 20.640 ( 6.514 1.305 9.361) 11.479 20.911 ( -23.592 -0.277 -17.718) 29.506 ======================= Grid point 229 (110/227) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -20.423 11.812 -11.874) 26.412 2.285 ( -4.434 0.548 17.543) 18.103 2.481 ( -7.647 2.825 -4.887) 9.505 2.973 ( -4.764 8.703 -6.560) 11.894 3.461 ( 3.168 -5.155 -7.932) 9.977 3.493 ( -10.726 -4.538 21.710) 24.637 4.105 ( 10.817 -2.690 -13.105) 17.204 4.660 ( -5.182 1.036 11.607) 12.753 5.044 ( 10.131 -2.492 7.869) 13.068 5.194 ( 8.882 3.017 -10.357) 13.974 5.261 ( 1.313 -4.522 4.575) 6.565 5.447 ( 1.677 -1.336 -2.871) 3.583 5.624 ( 5.189 3.992 -1.217) 6.659 6.034 ( 3.121 -3.614 -4.156) 6.330 6.682 ( -3.201 -4.116 4.190) 6.689 6.839 ( -1.365 -8.521 2.998) 9.136 7.144 ( -1.905 -0.214 1.888) 2.691 7.286 ( -0.898 9.024 3.462) 9.707 7.568 ( -3.936 5.557 9.373) 11.586 7.712 ( -7.505 -1.697 16.568) 18.267 8.364 ( 5.182 3.079 -10.344) 11.972 8.814 ( -0.473 -1.370 4.227) 4.469 8.835 ( 0.845 -3.059 -1.977) 3.739 9.103 ( -3.915 -1.845 -0.781) 4.398 9.165 ( 2.550 -0.853 -13.488) 13.754 9.861 ( 2.577 -0.928 -6.455) 7.013 10.578 ( -11.364 -2.853 25.996) 28.515 11.152 ( -14.441 -0.449 7.702) 16.373 11.851 ( -1.968 -1.452 9.959) 10.255 12.005 ( -0.204 4.509 0.919) 4.607 12.463 ( -3.902 5.776 8.191) 10.756 13.123 ( 12.420 11.396 -4.180) 17.366 13.446 ( 5.843 3.152 -9.178) 11.328 13.760 ( 0.077 1.345 5.302) 5.470 14.964 ( 6.676 6.088 -33.500) 34.697 15.384 ( 9.807 -0.322 -16.911) 19.552 17.682 ( -3.873 -5.754 5.091) 8.604 18.168 ( -9.054 -3.326 15.506) 18.261 18.520 ( -1.342 -0.369 4.533) 4.742 19.122 ( 23.466 -21.411 0.389) 31.768 20.494 ( -18.572 2.977 -12.021) 22.322 20.781 ( -0.629 -0.691 7.214) 7.274 ======================= Grid point 230 (111/227) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 9.791 15.659 4.108) 18.919 2.227 ( -11.672 1.074 11.372) 16.331 2.504 ( 9.218 3.349 5.687) 11.337 2.721 ( -5.406 12.615 -2.476) 13.946 3.158 ( -0.456 23.722 3.209) 23.943 3.845 ( -5.528 -20.451 8.927) 22.989 4.151 ( 4.517 -0.092 -12.082) 12.899 4.589 ( -4.360 7.936 7.788) 11.943 5.031 ( -6.538 6.566 3.482) 9.899 5.177 ( 7.693 2.537 -15.638) 17.611 5.322 ( 0.559 -1.900 -2.412) 3.121 5.487 ( -2.195 1.182 6.317) 6.791 5.586 ( -0.472 1.965 -3.627) 4.152 6.115 ( 3.582 -6.746 -9.474) 12.170 6.778 ( -1.672 -7.678 6.243) 10.036 7.002 ( -0.729 -8.588 3.483) 9.296 7.148 ( -3.551 -1.518 0.396) 3.883 7.195 ( -2.211 0.791 1.027) 2.563 7.518 ( -4.427 -1.265 8.722) 9.863 7.747 ( -7.393 -2.211 17.641) 19.255 8.340 ( 5.154 0.594 -10.657) 11.852 8.838 ( -1.322 -2.352 3.439) 4.371 8.916 ( 5.927 -3.108 -5.625) 8.743 9.074 ( -3.246 -1.265 -0.724) 3.558 9.193 ( 4.848 -3.871 -8.152) 10.244 9.856 ( 3.098 0.933 -7.086) 7.790 10.664 ( -11.282 -6.643 28.222) 31.111 11.106 ( -0.858 2.456 14.768) 14.995 11.882 ( -0.994 -0.948 4.190) 4.409 11.926 ( -2.480 5.015 2.456) 6.110 12.412 ( -4.435 0.799 9.623) 10.626 12.969 ( 0.526 12.498 -8.915) 15.361 13.427 ( -0.474 -0.978 -7.648) 7.725 13.775 ( 2.115 2.506 6.623) 7.390 14.838 ( 13.285 1.150 -33.254) 35.828 15.406 ( 8.521 -0.565 -16.883) 18.920 17.716 ( -2.368 0.572 5.815) 6.305 18.198 ( -7.339 -1.419 16.956) 18.531 18.521 ( -2.990 -0.379 5.207) 6.017 19.534 ( -9.471 -15.047 -22.346) 28.556 20.334 ( 17.725 3.749 6.823) 19.359 20.805 ( -4.170 -1.207 5.686) 7.154 ======================= Grid point 231 (112/227) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 25.636 6.072 18.328) 32.093 2.178 ( 6.432 5.239 13.176) 15.570 2.448 ( 6.615 16.627 0.654) 17.907 2.564 ( 3.433 7.284 8.248) 11.527 2.781 ( 2.970 26.220 7.336) 27.388 4.041 ( -5.140 -6.605 -0.060) 8.369 4.059 ( -2.557 8.117 -6.254) 10.561 4.447 ( -3.931 5.722 7.276) 10.056 4.805 ( -18.575 4.453 -0.702) 19.114 5.098 ( 2.142 6.168 -12.727) 14.304 5.257 ( -9.960 2.950 -4.621) 11.369 5.368 ( -0.714 4.357 0.564) 4.451 5.624 ( 3.212 -3.679 -1.711) 5.174 6.259 ( 1.495 -15.190 -14.022) 20.726 6.894 ( -4.098 -1.594 4.011) 5.952 7.057 ( -0.191 0.493 5.212) 5.239 7.135 ( -3.019 -3.659 0.864) 4.822 7.228 ( -3.777 -9.650 0.642) 10.383 7.608 ( -3.746 -7.954 6.485) 10.925 7.824 ( -2.398 -4.309 14.025) 14.867 8.353 ( 5.088 -2.515 -10.877) 12.269 8.894 ( -2.784 -3.952 5.424) 7.265 8.986 ( 0.805 -3.258 -5.910) 6.797 9.076 ( 2.796 -0.691 0.749) 2.975 9.295 ( 7.560 -4.073 -6.683) 10.882 9.839 ( 4.688 0.868 -8.961) 10.151 10.846 ( -12.403 -13.468 31.804) 36.697 11.206 ( 10.498 3.832 18.664) 21.755 11.805 ( -4.004 7.417 2.714) 8.855 11.923 ( -0.740 -3.301 1.794) 3.830 12.435 ( -4.676 -3.630 10.407) 11.973 12.668 ( -8.611 11.474 -11.917) 18.650 13.353 ( -7.380 0.502 -5.405) 9.162 13.784 ( 3.045 3.619 2.609) 5.402 14.891 ( 18.594 -4.968 -26.832) 33.021 15.420 ( 7.727 -1.319 -17.737) 19.392 17.673 ( -0.781 7.018 7.041) 9.972 18.225 ( -5.765 0.519 18.030) 18.937 18.521 ( -4.083 -1.210 3.445) 5.478 19.172 ( -33.192 3.921 -24.059) 41.182 20.669 ( 3.654 -0.432 6.645) 7.596 20.914 ( 30.601 -6.010 2.753) 31.307 ======================= Grid point 232 (113/227) ======================= q-point: (-0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -9.796 2.123 4.455) 10.969 2.206 ( 6.546 11.828 6.607) 15.047 2.306 ( -2.386 23.397 15.859) 28.366 2.616 ( 8.297 8.345 4.480) 12.592 2.795 ( 53.237 9.228 23.205) 58.803 3.772 ( -5.102 22.437 14.057) 26.963 3.954 ( -2.286 4.079 -14.770) 15.492 4.229 ( -31.335 4.389 -13.769) 34.507 4.593 ( -11.441 -4.380 11.343) 16.695 4.954 ( -4.539 4.379 7.242) 9.603 5.128 ( 3.733 1.663 -16.264) 16.770 5.309 ( 1.149 3.972 -2.484) 4.824 5.731 ( 5.332 -5.687 -4.283) 8.894 6.387 ( -4.490 -7.071 -14.736) 16.950 6.751 ( -0.030 6.847 -2.777) 7.389 7.167 ( -5.998 -8.222 5.846) 11.737 7.206 ( 0.369 -6.642 4.720) 8.157 7.381 ( -1.595 -10.225 4.001) 11.095 7.702 ( -4.268 -5.077 7.561) 10.058 7.948 ( 1.585 -4.886 2.357) 5.651 8.448 ( 3.705 -10.232 -6.873) 12.871 8.929 ( -5.031 -1.125 7.190) 8.847 8.992 ( -5.973 -5.100 -0.450) 7.867 9.145 ( 7.964 1.186 -2.168) 8.338 9.392 ( 6.692 -1.382 -6.547) 9.463 9.853 ( 7.407 -0.831 -11.883) 14.027 11.101 ( -15.369 -12.687 29.020) 35.204 11.395 ( 13.345 3.406 18.074) 22.724 11.658 ( -5.842 2.896 7.109) 9.647 11.976 ( -2.531 -3.503 2.122) 4.814 12.298 ( -13.724 7.961 -12.028) 19.910 12.550 ( -4.197 -8.452 10.655) 14.233 13.201 ( -8.331 1.958 -4.107) 9.492 13.763 ( 2.645 2.799 -2.261) 4.465 15.103 ( 17.649 -8.174 -18.234) 26.661 15.458 ( 11.119 -3.827 -18.138) 21.616 17.549 ( 0.062 13.313 8.512) 15.801 18.215 ( -6.230 6.509 9.318) 12.961 18.359 ( -20.184 9.540 -6.120) 23.149 18.692 ( -10.832 3.610 2.804) 11.757 20.586 ( -14.127 -0.372 0.385) 14.137 21.505 ( 40.261 -10.405 -6.420) 42.076 ======================= Grid point 236 (114/227) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 6.158 0.000 -3.179) 6.930 2.327 ( -6.919 -0.000 22.985) 24.004 2.514 ( 2.123 0.000 16.497) 16.633 2.938 ( 9.945 0.000 4.728) 11.012 2.976 ( -19.276 -0.000 52.194) 55.640 3.751 ( 8.985 0.000 -8.690) 12.499 3.885 ( 46.356 0.000 18.928) 50.071 4.010 ( -14.491 -0.000 -36.042) 38.846 4.499 ( -9.098 -0.000 0.844) 9.137 5.017 ( -5.815 -0.000 12.958) 14.203 5.122 ( 8.948 0.000 -10.251) 13.607 5.687 ( 1.081 0.000 -3.825) 3.975 5.700 ( -14.579 -0.000 -1.641) 14.671 6.201 ( -1.404 -0.000 -7.516) 7.646 6.514 ( -8.056 -0.000 1.161) 8.139 6.927 ( 9.237 0.000 -17.859) 20.106 7.201 ( 11.010 0.000 -23.897) 26.311 7.450 ( 6.340 0.000 -3.022) 7.023 7.596 ( -5.896 -0.000 14.276) 15.446 8.039 ( -10.500 -0.000 19.960) 22.553 8.601 ( -7.565 -0.000 16.819) 18.442 8.684 ( -6.236 -0.000 -2.492) 6.715 9.018 ( -4.983 -0.000 2.864) 5.748 9.136 ( -2.530 -0.000 -11.203) 11.485 9.563 ( 2.730 0.000 1.231) 2.995 9.705 ( -2.781 -0.000 3.180) 4.225 10.370 ( -4.710 -0.000 12.968) 13.797 11.327 ( -15.592 -0.000 32.147) 35.729 11.479 ( -19.519 -0.000 -2.260) 19.649 12.081 ( 9.025 0.000 -11.086) 14.296 12.966 ( -2.605 -0.000 7.813) 8.236 13.014 ( 31.138 0.000 2.427) 31.232 13.767 ( 2.386 0.000 -0.215) 2.396 14.321 ( 17.847 0.000 -6.380) 18.953 15.316 ( 13.878 0.000 -14.248) 19.890 15.812 ( -14.964 -0.000 -23.128) 27.547 16.976 ( 1.590 0.000 0.106) 1.593 17.148 ( 0.548 0.000 -0.410) 0.684 18.046 ( -6.330 -0.000 16.762) 17.917 18.702 ( -4.489 -0.000 7.868) 9.058 20.489 ( 12.879 0.000 10.934) 16.894 21.343 ( -24.074 -0.000 -22.369) 32.862 ======================= Grid point 237 (115/227) ======================= q-point: ( 0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 3.641 3.096 5.951) 7.633 2.424 ( -7.125 -7.563 10.010) 14.428 2.556 ( -7.711 1.148 25.918) 27.065 3.019 ( 5.382 3.479 2.807) 6.997 3.252 ( -14.893 -21.158 37.044) 45.186 3.496 ( -31.705 1.610 -34.935) 47.204 3.850 ( 9.230 -4.387 -7.905) 12.920 4.427 ( -1.637 -0.072 4.566) 4.852 4.500 ( 35.199 -2.167 13.056) 37.604 5.005 ( -7.026 1.365 14.488) 16.160 5.220 ( 15.386 -0.270 -6.098) 16.553 5.498 ( -3.057 2.891 -7.724) 8.795 5.736 ( -1.054 -5.340 -6.581) 8.540 6.073 ( 1.524 9.326 -6.723) 11.597 6.521 ( 0.322 -1.600 3.029) 3.441 6.924 ( 8.137 1.788 -15.891) 17.943 7.226 ( 7.696 -2.080 -18.359) 20.016 7.492 ( 3.269 -0.854 -5.376) 6.349 7.612 ( -6.298 -0.362 16.892) 18.032 7.946 ( -9.469 8.670 18.957) 22.895 8.633 ( -4.269 -2.626 -1.201) 5.154 8.656 ( -6.303 -4.852 14.476) 16.517 8.919 ( -4.136 6.822 -1.531) 8.124 9.058 ( -3.999 -0.897 -4.612) 6.170 9.434 ( 0.533 12.847 -2.926) 13.187 9.734 ( -0.169 -3.065 -1.562) 3.444 10.442 ( -6.910 -4.977 17.138) 19.137 11.254 ( -18.584 -1.046 1.439) 18.669 11.409 ( -12.105 -9.090 28.608) 32.366 12.131 ( 8.746 -0.423 -10.650) 13.788 12.911 ( -3.655 7.607 8.640) 12.078 13.314 ( 24.647 3.817 -1.018) 24.961 13.790 ( 2.150 1.528 3.001) 3.995 14.265 ( 13.391 22.042 -9.669) 27.544 15.376 ( 11.701 2.458 -13.321) 17.900 15.479 ( -8.131 5.009 -30.083) 31.562 17.103 ( -0.388 -12.373 1.408) 12.458 17.372 ( 3.984 -24.764 -1.116) 25.107 18.098 ( -2.659 -1.411 17.188) 17.450 18.682 ( -4.479 0.831 7.128) 8.460 20.675 ( 8.537 0.679 12.043) 14.778 20.948 ( -22.582 1.372 -17.565) 28.642 ======================= Grid point 238 (116/227) ======================= q-point: ( 0.50 0.30 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 3.628 -1.835 9.432) 10.271 2.383 ( -12.747 1.159 6.475) 14.344 2.710 ( -9.372 -3.237 5.526) 11.352 2.772 ( -14.668 -1.078 -0.977) 14.740 3.167 ( -1.722 1.428 -8.108) 8.411 3.566 ( -8.214 -12.068 18.027) 23.196 4.004 ( 9.884 -5.861 -10.622) 15.648 4.495 ( -4.992 -8.173 14.814) 17.640 4.878 ( 11.092 -4.723 2.223) 12.259 4.996 ( -5.501 -2.047 16.120) 17.155 5.357 ( 12.971 4.423 -6.994) 15.385 5.473 ( 9.769 0.814 -4.123) 10.635 5.754 ( 6.218 1.457 -10.747) 12.502 5.945 ( 0.957 3.205 -1.485) 3.660 6.566 ( -0.829 -2.548 2.232) 3.488 6.879 ( 6.101 4.829 -11.654) 14.012 7.189 ( -4.493 1.535 -5.386) 7.180 7.496 ( 2.711 -0.079 -10.409) 10.757 7.640 ( -7.041 -0.923 17.637) 19.013 7.799 ( -7.403 8.165 14.955) 18.578 8.653 ( -0.143 11.751 0.154) 11.753 8.660 ( -1.377 -5.242 -0.824) 5.482 8.781 ( -5.283 -1.409 8.862) 10.413 9.022 ( -5.003 -2.607 -0.947) 5.720 9.230 ( 0.082 6.468 -13.149) 14.653 9.775 ( 1.415 -3.494 -4.867) 6.156 10.513 ( -9.775 -2.705 22.514) 24.693 11.135 ( -8.408 -0.406 10.054) 13.113 11.607 ( -8.286 -11.987 22.282) 26.624 12.164 ( 6.730 2.038 -7.562) 10.326 12.757 ( -4.511 10.936 8.908) 14.809 13.432 ( 14.168 7.435 -5.498) 16.919 13.783 ( 2.639 6.920 0.437) 7.419 13.950 ( 7.162 21.284 -4.430) 22.890 15.169 ( 0.843 5.786 -35.248) 35.730 15.391 ( 9.607 1.557 -14.784) 17.700 17.320 ( -2.632 -14.896 2.862) 15.395 17.864 ( 0.097 -25.487 1.985) 25.564 18.245 ( 4.203 -9.922 9.943) 14.662 18.665 ( -3.720 -0.977 7.233) 8.192 20.613 ( -12.699 3.656 -9.864) 16.491 20.791 ( 1.350 0.824 9.897) 10.023 ======================= Grid point 239 (117/227) ======================= q-point: (-0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -10.529 4.840 6.281) 13.181 2.355 ( 6.610 4.836 4.485) 9.338 2.524 ( 7.330 2.751 3.869) 8.733 3.031 ( -0.046 -4.080 0.780) 4.154 3.100 ( -6.970 -12.546 6.957) 15.950 3.630 ( -2.629 3.875 8.655) 9.841 4.110 ( 9.445 -2.147 -15.258) 18.073 4.630 ( -6.606 -4.379 13.008) 15.232 5.008 ( -3.849 -7.627 7.162) 11.148 5.152 ( -0.905 -9.964 7.257) 12.360 5.336 ( 7.967 5.350 -12.335) 15.628 5.474 ( 1.270 4.841 -3.248) 5.966 5.734 ( 3.324 4.612 -6.121) 8.353 5.978 ( 1.683 -4.185 0.406) 4.529 6.613 ( -1.524 -3.606 2.646) 4.725 6.807 ( 2.322 3.254 -4.685) 6.158 7.059 ( -10.819 -1.384 -3.583) 11.481 7.415 ( -0.108 7.234 -4.508) 8.524 7.647 ( -6.198 3.214 13.058) 14.807 7.698 ( -7.783 1.598 14.523) 16.554 8.458 ( 3.341 9.037 -7.033) 11.929 8.753 ( 1.312 -6.227 -1.069) 6.453 8.819 ( -2.123 -1.266 8.179) 8.544 9.002 ( -5.384 -2.998 -1.799) 6.419 9.124 ( 4.104 0.045 -13.992) 14.582 9.820 ( 2.689 -3.057 -7.238) 8.304 10.558 ( -10.770 -1.835 26.251) 28.434 11.185 ( 5.283 2.083 18.649) 19.495 11.797 ( -6.110 -8.369 16.137) 19.178 12.120 ( 3.218 7.197 -2.998) 8.434 12.582 ( -4.993 9.528 8.678) 13.821 13.341 ( 1.511 10.227 -10.429) 14.685 13.551 ( 2.279 13.428 -11.467) 17.804 13.883 ( 4.545 4.331 9.908) 11.729 14.942 ( 8.194 4.736 -37.233) 38.417 15.397 ( 8.418 0.086 -16.894) 18.875 17.527 ( -2.578 -12.049 4.404) 13.085 18.085 ( -6.571 -6.624 14.461) 17.210 18.485 ( -1.539 -6.398 -1.417) 6.731 18.818 ( -3.496 -22.145 -3.905) 22.757 20.477 ( 8.402 4.748 1.400) 9.752 20.803 ( -4.631 0.859 6.996) 8.434 ======================= Grid point 240 (118/227) ======================= q-point: (-0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -9.637 1.590 10.618) 14.427 2.497 ( 31.585 10.342 12.138) 35.382 2.619 ( 1.978 -0.181 5.647) 5.986 2.918 ( 10.413 11.291 -4.239) 15.934 3.427 ( -2.381 -18.746 -3.592) 19.235 3.525 ( -3.169 8.972 18.431) 20.742 4.126 ( 4.174 -0.057 -14.143) 14.746 4.634 ( -6.339 1.165 8.146) 10.387 4.995 ( -15.145 3.018 -1.683) 15.534 5.240 ( 1.333 2.479 -7.281) 7.806 5.285 ( 2.886 -0.302 -2.717) 3.975 5.449 ( -2.850 -4.333 2.948) 5.965 5.573 ( -6.551 4.744 -7.151) 10.796 6.055 ( 2.809 -1.352 -5.106) 5.982 6.688 ( -0.620 -5.937 5.511) 8.124 6.847 ( -1.526 -8.569 3.344) 9.324 6.987 ( -7.433 -5.303 -3.501) 9.778 7.259 ( -1.815 7.636 0.413) 7.860 7.550 ( -5.534 5.604 8.754) 11.775 7.706 ( -9.182 -2.559 16.818) 19.332 8.374 ( 5.122 3.055 -10.045) 11.682 8.820 ( -0.881 -1.677 1.907) 2.687 8.885 ( 1.203 -2.900 0.021) 3.140 8.993 ( -1.395 -3.885 -0.730) 4.192 9.166 ( 8.904 -3.409 -10.647) 14.292 9.848 ( 3.286 -1.297 -8.486) 9.192 10.617 ( -11.029 -3.088 29.040) 31.217 11.362 ( 14.547 4.938 22.613) 27.337 11.889 ( -4.263 -2.047 10.183) 11.227 12.000 ( -0.170 7.754 -0.980) 7.818 12.451 ( -5.517 5.000 9.710) 12.236 13.045 ( -9.717 11.605 -14.381) 20.878 13.369 ( -2.501 3.492 -9.808) 10.708 13.935 ( 6.580 4.677 9.021) 12.106 14.819 ( 13.150 0.861 -35.486) 37.854 15.398 ( 7.954 -0.406 -18.702) 20.327 17.679 ( -1.710 -6.465 6.476) 9.309 18.173 ( -5.930 -3.644 17.278) 18.627 18.493 ( -4.129 -1.368 0.648) 4.398 18.961 ( -19.696 -16.475 -15.667) 30.081 20.683 ( 12.315 1.353 6.907) 14.184 20.773 ( 9.950 -2.012 4.664) 11.172 ======================= Grid point 241 (119/227) ======================= q-point: (-0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -10.787 -0.498 9.607) 14.454 2.506 ( -4.055 7.668 1.200) 8.757 2.748 ( 10.161 4.364 3.538) 11.611 3.046 ( 34.956 12.007 9.670) 38.205 3.301 ( 15.788 20.890 3.552) 26.424 3.748 ( -7.958 -17.926 4.013) 20.020 4.068 ( -0.439 1.681 -8.921) 9.089 4.443 ( -26.274 9.114 -3.405) 28.018 4.656 ( -13.654 4.656 1.236) 14.479 5.185 ( 1.978 1.850 -9.015) 9.413 5.228 ( -1.170 8.220 1.593) 8.454 5.410 ( -1.287 1.654 -0.974) 2.311 5.606 ( 3.679 -5.072 5.890) 8.600 6.061 ( 4.298 -3.604 -13.825) 14.919 6.824 ( -0.963 -6.159 7.618) 9.844 6.976 ( -5.149 -6.700 0.578) 8.470 7.051 ( -0.462 -9.963 3.740) 10.652 7.147 ( -2.983 5.329 1.165) 6.217 7.495 ( -6.020 -2.690 10.983) 12.810 7.743 ( -9.496 -5.633 13.098) 17.131 8.347 ( 5.436 1.105 -10.835) 12.173 8.846 ( -1.457 -2.230 1.295) 2.962 8.882 ( -4.926 -2.054 -0.560) 5.366 9.108 ( 8.217 -3.617 -1.482) 9.099 9.293 ( 10.067 -4.271 -7.963) 13.528 9.850 ( 3.861 0.054 -8.770) 9.583 10.723 ( -11.336 -6.430 31.131) 33.749 11.567 ( 15.422 6.582 20.700) 26.639 11.868 ( -2.133 6.163 -1.396) 6.669 11.910 ( -2.076 -0.299 6.457) 6.789 12.395 ( -7.817 0.504 9.198) 12.081 12.635 ( -14.375 10.378 -14.202) 22.716 13.240 ( -7.328 0.794 -6.484) 9.817 13.946 ( 6.926 7.604 0.538) 10.299 14.863 ( 16.398 -5.950 -26.167) 31.448 15.397 ( 8.647 -0.873 -20.209) 21.998 17.760 ( -0.983 -0.290 9.075) 9.133 18.253 ( -4.863 -1.963 18.268) 19.006 18.447 ( -7.452 -1.012 -3.894) 8.469 18.794 ( -18.426 -2.074 -7.621) 20.048 20.589 ( -12.977 0.596 0.550) 13.002 21.234 ( 34.632 -6.537 1.636) 35.281 ======================= Grid point 242 (120/227) ======================= q-point: (-0.10 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -10.815 -0.243 4.750) 11.814 2.373 ( -1.315 3.944 -0.599) 4.200 2.678 ( 2.333 13.542 -2.772) 14.018 2.950 ( 6.071 21.834 7.974) 24.024 3.536 ( 32.969 5.720 4.401) 33.750 3.786 ( -18.436 2.986 -5.045) 19.345 3.937 ( -16.632 1.205 -6.188) 17.786 3.996 ( 2.052 5.269 -0.705) 5.698 4.568 ( -4.552 1.109 13.300) 14.101 5.062 ( -3.513 7.047 2.666) 8.313 5.169 ( 8.173 4.930 -3.416) 10.138 5.379 ( 2.896 3.201 -1.389) 4.535 5.745 ( 5.027 -1.159 5.969) 7.890 6.149 ( 2.987 -9.995 -14.607) 17.950 6.871 ( -0.988 7.589 3.325) 8.344 6.989 ( -6.222 -6.459 3.677) 9.693 7.110 ( -2.918 -6.515 5.434) 8.972 7.241 ( 0.205 -9.739 6.972) 11.979 7.580 ( -7.130 -7.225 11.169) 15.092 7.796 ( -9.698 -8.788 1.639) 13.189 8.356 ( 5.375 -2.330 -10.979) 12.445 8.848 ( -4.483 -3.605 -2.431) 6.245 8.886 ( -3.574 -1.994 5.588) 6.926 9.231 ( 8.460 -0.647 -3.369) 9.129 9.418 ( 7.784 -2.008 -6.004) 10.034 9.858 ( 5.944 -0.777 -10.265) 11.887 10.888 ( -14.687 -9.941 32.571) 37.086 11.696 ( -1.102 5.879 2.211) 6.377 11.722 ( 5.645 6.688 9.852) 13.178 11.935 ( -2.691 0.121 5.086) 5.755 12.179 ( -12.524 4.373 -8.344) 15.672 12.480 ( -3.440 -2.286 8.440) 9.396 13.114 ( -6.146 0.548 -3.342) 7.017 13.872 ( 6.017 7.574 -7.566) 12.281 15.062 ( 14.926 -8.544 -17.882) 24.810 15.432 ( 11.738 -3.830 -19.801) 23.335 17.753 ( -1.938 6.469 11.172) 13.055 18.237 ( -10.138 6.804 -8.608) 14.939 18.319 ( -6.660 1.052 17.717) 18.957 18.651 ( -6.061 0.817 5.484) 8.214 20.419 ( -13.317 0.680 -2.375) 13.544 21.685 ( 25.163 -7.779 -8.281) 27.609 ======================= Grid point 247 (121/227) ======================= q-point: ( 0.40 0.40 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -11.583 -0.000 15.798) 19.589 2.318 ( 5.680 0.000 1.752) 5.944 2.625 ( -10.265 -0.000 23.778) 25.900 2.984 ( -22.194 -0.000 -24.565) 33.106 3.055 ( -21.524 -0.000 48.488) 53.051 3.143 ( 5.453 0.000 -1.434) 5.639 3.876 ( 7.948 0.000 -6.078) 10.006 4.428 ( -0.177 -0.000 3.061) 3.066 4.796 ( 13.265 0.000 0.915) 13.296 5.015 ( -7.411 -0.000 15.004) 16.734 5.448 ( 1.655 0.000 -11.114) 11.237 5.460 ( 22.435 0.000 1.074) 22.460 5.703 ( 8.066 0.000 -6.722) 10.500 6.142 ( 1.592 0.000 -5.385) 5.615 6.533 ( 0.221 0.000 2.398) 2.408 6.932 ( 6.452 0.000 -16.218) 17.455 7.187 ( 8.781 0.000 -25.102) 26.594 7.446 ( -2.965 -0.000 -9.765) 10.206 7.622 ( -7.263 -0.000 17.363) 18.821 8.017 ( -9.905 -0.000 20.063) 22.375 8.558 ( -3.219 -0.000 1.082) 3.396 8.627 ( -5.617 -0.000 15.428) 16.419 8.916 ( -5.048 -0.000 0.432) 5.066 8.972 ( -0.585 -0.000 -11.373) 11.388 9.525 ( -5.034 -0.000 -6.938) 8.572 9.688 ( -1.491 -0.000 2.343) 2.777 10.407 ( -5.423 -0.000 15.086) 16.031 11.130 ( -5.848 -0.000 11.271) 12.698 11.356 ( -12.515 -0.000 32.610) 34.929 12.163 ( 8.859 0.000 -12.904) 15.652 12.976 ( -4.759 -0.000 9.971) 11.049 13.554 ( 14.616 0.000 -6.187) 15.872 13.862 ( 2.618 0.000 7.964) 8.384 14.527 ( 11.056 0.000 -16.825) 20.133 15.261 ( -2.966 -0.000 -34.517) 34.645 15.487 ( 9.164 0.000 -9.410) 13.135 17.015 ( 1.084 0.000 0.552) 1.217 17.158 ( 1.000 0.000 -1.470) 1.778 18.154 ( -2.718 -0.000 16.638) 16.859 18.671 ( -4.480 -0.000 5.833) 7.355 20.678 ( -11.766 -0.000 -10.264) 15.614 20.808 ( 2.060 0.000 10.992) 11.183 ======================= Grid point 248 (122/227) ======================= q-point: ( 0.50 0.40 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -10.527 -2.304 13.472) 17.252 2.356 ( 0.668 2.948 3.792) 4.849 2.611 ( -11.097 -3.143 24.105) 26.722 2.772 ( 11.770 6.297 -8.032) 15.579 3.165 ( 0.830 0.409 -4.564) 4.657 3.285 ( -16.790 -20.876 38.555) 46.949 3.961 ( 6.111 -3.889 -4.824) 8.703 4.463 ( 0.609 -1.250 6.191) 6.345 4.886 ( 2.454 -1.124 -2.665) 3.793 5.005 ( -6.154 -0.051 14.270) 15.541 5.431 ( 7.364 1.298 -11.251) 13.510 5.609 ( 4.779 0.535 0.117) 4.811 5.810 ( 10.367 -0.019 -8.979) 13.715 6.056 ( 1.846 8.194 -4.734) 9.642 6.542 ( -1.362 -0.733 1.575) 2.207 6.913 ( 3.232 -0.321 -13.177) 13.572 7.070 ( -10.728 1.653 -12.831) 16.807 7.404 ( 8.730 -4.493 -26.477) 28.239 7.632 ( -8.099 -0.656 17.425) 19.226 7.939 ( -8.949 8.319 19.324) 22.863 8.575 ( -0.566 -3.695 1.248) 3.940 8.692 ( -4.408 -4.515 14.329) 15.657 8.832 ( -1.116 5.185 -2.500) 5.863 8.921 ( -2.318 -0.942 -5.717) 6.240 9.291 ( -4.547 11.243 -9.633) 15.488 9.715 ( 0.421 -2.939 -2.090) 3.631 10.466 ( -7.957 -4.077 19.217) 21.195 11.234 ( 8.572 1.049 21.383) 23.061 11.465 ( -10.381 -8.547 29.501) 32.421 12.197 ( 7.420 -0.811 -12.450) 14.516 12.908 ( -5.699 7.807 11.149) 14.755 13.574 ( 2.399 3.963 -11.461) 12.362 13.925 ( 3.314 3.175 10.767) 11.704 14.346 ( 6.151 21.543 -15.571) 27.283 15.070 ( 5.816 1.944 -37.324) 37.825 15.457 ( 5.521 4.430 -13.053) 14.848 17.104 ( -0.660 -10.035 1.289) 10.139 17.414 ( 0.905 -27.413 -2.564) 27.547 18.193 ( -7.878 -2.406 12.832) 15.248 18.648 ( -4.097 0.298 5.368) 6.759 20.597 ( 6.858 2.238 -0.888) 7.268 20.836 ( -4.861 0.757 7.745) 9.175 ======================= Grid point 249 (123/227) ======================= q-point: (-0.40 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -12.855 2.969 10.940) 17.139 2.448 ( 3.854 -6.731 7.208) 10.589 2.747 ( -10.180 -13.108 17.279) 23.958 2.877 ( 22.585 9.711 3.098) 24.778 3.142 ( 10.714 2.457 -6.387) 12.713 3.597 ( -6.346 -12.530 21.263) 25.483 4.068 ( 4.468 -4.895 -7.392) 9.928 4.552 ( -2.840 -4.696 11.741) 12.960 4.890 ( -4.395 -2.771 3.269) 6.138 5.042 ( -6.414 -4.307 9.387) 12.158 5.435 ( 8.966 3.792 -9.130) 13.347 5.540 ( -9.030 7.081 -3.985) 12.147 5.741 ( -3.386 4.036 -13.676) 14.655 5.974 ( 2.792 0.454 0.645) 2.901 6.560 ( -1.137 -2.909 2.074) 3.750 6.854 ( -8.296 0.626 -11.129) 13.896 6.874 ( 2.305 1.605 -9.334) 9.747 7.439 ( 7.760 -1.231 -19.721) 21.229 7.641 ( -8.789 -1.092 16.769) 18.965 7.792 ( -7.587 9.345 15.939) 19.973 8.631 ( 0.763 6.720 -1.618) 6.954 8.692 ( 1.350 1.756 1.186) 2.513 8.802 ( -2.132 -4.477 11.060) 12.121 8.886 ( -4.357 -2.423 -2.191) 5.445 9.114 ( 4.910 1.615 -13.681) 14.625 9.760 ( 2.636 -3.377 -6.685) 7.940 10.537 ( -10.469 -3.181 25.433) 27.687 11.481 ( 15.211 2.227 25.555) 29.823 11.662 ( -7.187 -9.877 23.015) 26.055 12.208 ( 4.456 1.539 -9.089) 10.239 12.740 ( -6.342 11.459 11.642) 17.523 13.365 ( -9.645 7.624 -15.897) 20.097 13.811 ( 0.452 22.336 -7.494) 23.564 14.075 ( 4.602 6.559 7.551) 11.010 14.919 ( 11.907 4.083 -39.418) 41.379 15.397 ( 6.117 0.874 -17.547) 18.603 17.308 ( -1.405 -14.521 3.446) 14.990 17.853 ( -2.140 -26.378 -1.157) 26.490 18.196 ( -12.986 -7.591 5.569) 16.040 18.631 ( -4.018 -0.553 5.396) 6.750 20.752 ( 9.338 2.384 5.182) 10.942 20.770 ( 5.106 1.063 4.696) 7.018 ======================= Grid point 250 (124/227) ======================= q-point: (-0.30 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -12.968 1.609 9.339) 16.062 2.609 ( -1.762 -2.938 1.898) 3.917 2.841 ( 0.092 -0.264 0.189) 0.337 2.996 ( -8.006 -17.137 8.633) 20.791 3.350 ( 31.112 5.743 -0.826) 31.648 3.762 ( 7.373 2.593 12.757) 14.961 4.111 ( 5.633 0.084 -11.558) 12.858 4.607 ( -6.185 -0.288 9.493) 11.334 4.775 ( -28.379 3.722 -4.617) 28.992 5.105 ( -10.955 -10.922 15.664) 22.015 5.294 ( -6.441 -1.949 -6.802) 9.568 5.427 ( 9.004 5.291 -4.494) 11.370 5.575 ( 1.142 5.583 -7.628) 9.521 6.083 ( 7.654 -1.434 1.048) 7.857 6.640 ( 2.180 -4.481 3.987) 6.382 6.749 ( -1.129 -1.177 -5.265) 5.511 6.853 ( -0.746 -2.542 -3.898) 4.713 7.372 ( 1.605 7.245 -6.699) 9.997 7.635 ( -7.764 2.161 13.900) 16.067 7.655 ( -8.583 4.318 13.084) 16.233 8.458 ( 3.105 8.008 -7.032) 11.101 8.757 ( -1.220 -3.482 -1.585) 4.015 8.862 ( -4.260 -1.232 6.343) 7.739 8.947 ( 6.119 -5.564 1.593) 8.422 9.161 ( 9.800 -3.614 -11.758) 15.727 9.805 ( 4.129 -2.873 -10.349) 11.506 10.607 ( -11.348 -2.706 30.653) 32.798 11.738 ( 9.099 1.024 21.501) 23.370 11.836 ( 0.318 -3.220 18.941) 19.215 12.131 ( 0.766 7.552 -4.674) 8.914 12.550 ( -7.141 9.775 11.241) 16.520 12.966 ( -18.006 9.736 -18.028) 27.276 13.415 ( -4.049 14.652 -10.456) 18.450 14.139 ( 6.487 3.665 11.871) 14.016 14.802 ( 14.844 2.556 -39.350) 42.134 15.374 ( 7.417 -0.677 -20.264) 21.589 17.542 ( -1.375 -12.885 6.461) 14.480 18.125 ( -3.915 -8.141 13.407) 16.167 18.216 ( -13.971 -15.677 -9.049) 22.866 18.634 ( -4.271 -2.258 5.094) 7.020 20.618 ( -13.139 1.061 0.573) 13.194 21.119 ( 32.304 -0.585 5.358) 32.750 ======================= Grid point 251 (125/227) ======================= q-point: (-0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -12.923 -0.728 4.916) 13.845 2.496 ( -8.940 3.518 -3.550) 10.242 2.875 ( 3.039 1.142 -2.825) 4.303 3.262 ( -7.618 -23.209 -1.691) 24.486 3.508 ( 11.975 8.028 4.858) 15.214 3.842 ( 10.369 7.591 8.064) 15.171 4.101 ( 8.362 6.390 -9.575) 14.228 4.221 ( -27.657 8.896 -1.708) 29.102 4.604 ( -5.425 -0.728 4.421) 7.037 5.155 ( -4.815 -0.602 1.125) 4.981 5.342 ( 2.247 -5.044 -2.345) 6.000 5.387 ( -0.113 4.761 2.213) 5.252 5.632 ( 7.780 -5.664 5.735) 11.203 6.096 ( 7.204 6.907 -8.831) 13.326 6.788 ( -1.363 -4.132 1.896) 4.746 6.812 ( 2.754 -8.164 7.544) 11.452 6.935 ( 2.485 -7.628 3.627) 8.804 7.220 ( -1.923 7.737 -0.330) 7.979 7.526 ( -5.429 6.103 11.091) 13.774 7.611 ( -13.010 -1.971 12.340) 18.039 8.381 ( 5.039 2.662 -10.502) 11.948 8.755 ( -3.214 -2.338 -3.437) 5.254 8.867 ( -1.969 0.464 6.133) 6.458 9.135 ( 9.630 -5.024 -1.575) 10.975 9.296 ( 10.641 -4.924 -8.475) 14.467 9.832 ( 4.752 -1.610 -11.358) 12.417 10.698 ( -10.478 -3.151 33.370) 35.118 11.841 ( -2.658 -0.369 9.988) 10.342 11.947 ( -2.401 8.534 0.396) 8.874 11.994 ( 6.751 5.382 14.746) 17.088 12.358 ( -14.541 7.230 0.892) 16.264 12.552 ( -11.128 6.123 -5.523) 13.850 13.166 ( -5.679 4.492 -6.550) 9.764 14.164 ( 6.807 8.650 0.613) 11.024 14.805 ( 15.192 -5.244 -28.873) 33.045 15.369 ( 8.818 -1.206 -21.606) 23.368 17.734 ( -1.729 -7.588 9.778) 12.497 18.213 ( -9.742 -7.006 1.154) 12.055 18.252 ( -5.692 -5.752 6.879) 10.622 18.648 ( -3.654 -1.222 5.767) 6.935 20.447 ( -12.544 1.012 -1.624) 12.690 21.516 ( 27.940 -2.710 -1.625) 28.118 ======================= Grid point 252 (126/227) ======================= q-point: (-0.10 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -7.225 -1.453 0.805) 7.414 2.345 ( -3.974 1.462 -5.758) 7.147 2.815 ( 1.011 5.518 -4.659) 7.292 3.387 ( 6.269 11.719 -2.840) 13.590 3.543 ( -3.972 -9.370 6.670) 12.168 3.751 ( -20.199 8.132 9.760) 23.862 3.859 ( 0.924 3.106 3.981) 5.133 4.158 ( 15.701 5.076 -13.477) 21.305 4.592 ( -2.351 -0.251 6.211) 6.645 5.093 ( -1.764 2.237 -2.547) 3.822 5.317 ( 0.397 4.501 4.810) 6.599 5.451 ( 3.686 -2.775 -0.785) 4.680 5.834 ( 4.343 -2.902 9.863) 11.161 6.036 ( 6.694 0.242 -14.725) 16.176 6.853 ( -1.430 -4.935 2.568) 5.744 6.968 ( -1.394 -5.196 6.437) 8.389 7.066 ( -3.712 7.638 3.174) 9.066 7.152 ( 3.314 -7.515 8.623) 11.908 7.480 ( -10.567 -0.808 14.730) 18.146 7.554 ( -9.934 -4.745 5.410) 12.267 8.355 ( 5.516 1.047 -11.497) 12.795 8.744 ( -2.361 -2.609 -2.236) 4.169 8.867 ( -1.883 0.193 4.373) 4.765 9.274 ( 7.345 -2.488 -5.923) 9.758 9.436 ( 7.064 -2.613 -5.755) 9.479 9.852 ( 5.483 -1.218 -10.881) 12.245 10.806 ( -12.483 -2.914 32.158) 34.619 11.713 ( -6.844 7.233 -6.129) 11.693 11.865 ( -1.203 -0.355 5.397) 5.541 11.992 ( -3.852 5.390 5.338) 8.508 12.129 ( -2.962 4.097 5.134) 7.205 12.467 ( -3.668 0.042 7.785) 8.606 13.056 ( -2.884 0.531 -1.487) 3.288 14.042 ( 6.065 10.776 -11.497) 16.885 14.978 ( 12.777 -9.958 -18.335) 24.466 15.391 ( 9.939 -2.919 -21.519) 23.882 17.825 ( -4.142 -0.370 11.074) 11.829 18.171 ( -3.371 -0.528 -4.594) 5.722 18.330 ( -6.763 -2.894 18.086) 19.524 18.645 ( -3.216 0.838 6.746) 7.520 20.299 ( -7.314 1.305 -1.972) 7.687 21.781 ( 15.481 -2.477 -10.672) 18.966 ======================= Grid point 258 (127/227) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -12.471 -0.000 11.221) 16.776 2.476 ( 6.460 0.000 5.846) 8.713 2.557 ( -16.945 -0.000 21.591) 27.446 3.006 ( -5.338 -0.000 29.419) 29.899 3.130 ( -3.531 -0.000 -5.070) 6.179 3.180 ( 20.287 0.000 19.054) 27.832 3.979 ( 5.366 0.000 -2.951) 6.124 4.500 ( 1.839 0.000 5.113) 5.433 4.875 ( -0.443 -0.000 -4.479) 4.501 5.002 ( -7.112 -0.000 14.047) 15.745 5.512 ( 12.961 0.000 -4.798) 13.820 5.620 ( -4.183 -0.000 -0.639) 4.231 5.756 ( -10.432 -0.000 -13.326) 16.924 6.129 ( 1.591 0.000 -4.273) 4.560 6.518 ( -2.830 -0.000 1.078) 3.029 6.811 ( -5.558 -0.000 -9.000) 10.578 6.926 ( 0.756 0.000 -19.662) 19.676 7.347 ( 17.036 0.000 -36.175) 39.986 7.623 ( -8.509 -0.000 16.679) 18.724 8.018 ( -8.986 -0.000 20.408) 22.299 8.557 ( 0.673 0.000 3.790) 3.849 8.674 ( -4.373 -0.000 14.295) 14.949 8.811 ( -3.021 -0.000 -1.940) 3.591 8.911 ( 5.215 0.000 -8.573) 10.035 9.299 ( -4.851 -0.000 -7.953) 9.316 9.682 ( -0.311 -0.000 0.368) 0.482 10.438 ( -7.410 -0.000 18.169) 19.622 11.437 ( -11.582 -0.000 33.745) 35.678 11.539 ( 17.484 0.000 26.775) 31.978 12.194 ( 6.307 0.000 -14.404) 15.724 12.968 ( -6.328 -0.000 12.574) 14.077 13.489 ( -9.321 -0.000 -16.583) 19.023 14.063 ( 4.056 0.000 14.295) 14.859 14.498 ( 2.895 0.000 -19.237) 19.454 14.979 ( 11.882 0.000 -38.357) 40.155 15.464 ( 0.796 0.000 -14.739) 14.760 17.026 ( -0.417 -0.000 0.327) 0.529 17.155 ( 0.293 0.000 -1.906) 1.929 18.124 ( -12.344 -0.000 13.325) 18.164 18.638 ( -2.719 -0.000 4.709) 5.438 20.783 ( -10.675 -0.000 4.130) 11.447 20.807 ( 23.353 0.000 4.888) 23.859 ======================= Grid point 259 (128/227) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -14.296 -1.042 5.442) 15.332 2.398 ( -13.724 0.957 19.008) 23.464 2.626 ( -2.299 -3.842 10.512) 11.425 3.006 ( -7.933 2.422 -3.410) 8.968 3.203 ( -13.961 -17.607 29.282) 36.910 3.633 ( 36.401 -1.216 1.869) 36.469 4.039 ( 4.488 -1.768 -1.493) 5.050 4.555 ( 0.869 -0.812 7.221) 7.318 4.799 ( -13.308 -0.193 -2.420) 13.527 4.985 ( -7.959 1.130 12.629) 14.971 5.319 ( -24.864 1.521 -12.494) 27.868 5.604 ( 8.843 5.469 -1.073) 10.453 5.756 ( 11.132 -1.392 -3.711) 11.817 6.062 ( 3.081 5.537 -1.111) 6.433 6.517 ( -0.109 -2.306 3.280) 4.011 6.751 ( 1.601 -0.333 -8.563) 8.718 6.865 ( 3.549 -0.217 -16.928) 17.297 7.382 ( 15.142 -3.524 -33.026) 36.502 7.614 ( -8.342 -0.364 15.061) 17.221 7.947 ( -8.558 8.688 19.652) 23.128 8.624 ( 1.948 -3.073 3.812) 5.270 8.751 ( -3.212 -5.261 12.396) 13.844 8.781 ( -1.154 -0.490 -2.387) 2.696 8.895 ( 3.320 7.214 -1.425) 8.068 9.140 ( 1.133 5.116 -11.029) 12.211 9.708 ( 1.639 -2.699 -3.748) 4.901 10.489 ( -9.325 -4.188 22.535) 24.745 11.538 ( -10.624 -6.136 30.986) 33.326 11.879 ( 16.883 1.422 26.496) 31.450 12.190 ( 3.807 -1.195 -13.125) 13.718 12.895 ( -6.746 8.106 13.320) 16.990 13.195 ( -18.691 3.861 -19.784) 27.489 14.115 ( 0.064 15.042 2.245) 15.209 14.249 ( 0.105 9.325 -3.884) 10.101 14.923 ( 15.888 2.413 -38.945) 42.130 15.371 ( 3.506 0.943 -18.819) 19.167 17.104 ( -0.773 -10.228 1.717) 10.400 17.357 ( -2.170 -23.551 -4.256) 24.031 18.072 ( -10.870 -1.320 15.148) 18.691 18.636 ( -1.202 0.645 5.096) 5.276 20.647 ( -13.759 0.584 0.817) 13.796 21.149 ( 31.569 1.297 5.561) 32.081 ======================= Grid point 260 (129/227) ======================= q-point: (-0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -16.139 0.241 0.982) 16.170 2.454 ( -11.627 -14.412 11.401) 21.746 2.625 ( -10.522 0.285 2.840) 10.902 2.903 ( -5.017 -1.783 0.395) 5.339 3.459 ( -7.685 -13.976 13.983) 21.212 3.950 ( 14.620 0.311 -5.104) 15.488 4.155 ( 12.979 -2.869 -1.511) 13.378 4.448 ( -35.505 4.409 2.749) 35.883 4.616 ( -0.877 -0.094 8.498) 8.543 4.957 ( -5.528 -2.850 11.562) 13.128 5.154 ( -1.882 -3.807 -8.700) 9.681 5.579 ( 2.498 4.299 -0.847) 5.044 5.702 ( 4.422 11.047 -9.615) 15.298 6.168 ( 6.772 -3.611 4.696) 8.998 6.687 ( 14.282 -2.640 10.075) 17.676 6.736 ( 5.335 0.764 -5.711) 7.853 6.815 ( 1.963 0.385 -9.603) 9.809 7.413 ( 7.645 -0.008 -19.074) 20.549 7.599 ( -7.052 0.178 10.795) 12.895 7.794 ( -7.319 10.374 16.423) 20.758 8.630 ( -0.053 12.503 -1.098) 12.552 8.705 ( -0.200 0.796 -1.779) 1.959 8.815 ( -3.452 -3.875 8.468) 9.931 8.940 ( 6.018 -6.577 3.844) 9.709 9.147 ( 9.127 -3.711 -12.149) 15.642 9.752 ( 4.392 -2.888 -9.444) 10.808 10.587 ( -10.322 -4.721 29.926) 32.006 11.684 ( -9.272 -7.203 23.441) 26.216 12.136 ( 10.364 3.418 22.992) 25.450 12.161 ( 0.079 0.971 -9.741) 9.790 12.685 ( -14.518 11.181 -1.114) 18.358 12.790 ( -15.279 7.856 -4.852) 17.852 13.618 ( -7.030 24.705 -11.032) 27.955 14.299 ( 2.794 0.704 13.144) 13.456 14.834 ( 17.477 5.353 -41.443) 45.294 15.331 ( 7.242 -1.151 -21.268) 22.497 17.323 ( -1.427 -15.624 4.985) 16.462 17.679 ( -5.671 -24.206 -6.862) 25.791 18.096 ( -6.743 -3.513 17.569) 19.143 18.644 ( -0.390 0.920 5.869) 5.954 20.477 ( -12.771 0.802 -1.031) 12.837 21.513 ( 31.209 1.855 1.241) 31.289 ======================= Grid point 261 (130/227) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -7.743 -1.602 -0.514) 7.924 2.430 ( -9.280 3.802 -1.817) 10.192 2.707 ( -10.257 -23.246 2.713) 25.553 2.901 ( -5.460 -4.011 0.379) 6.786 3.615 ( -2.080 -6.495 6.474) 9.403 3.990 ( 3.187 2.943 1.326) 4.536 4.027 ( -24.427 6.820 10.177) 27.328 4.327 ( 15.299 0.581 -13.670) 20.524 4.591 ( -3.366 4.130 5.836) 7.902 5.055 ( -7.482 -6.401 11.064) 14.811 5.211 ( 2.163 -8.042 -4.430) 9.433 5.495 ( -2.241 4.965 -3.104) 6.270 5.612 ( 1.324 -1.748 -1.268) 2.533 6.237 ( 3.231 2.300 -4.664) 6.122 6.700 ( 1.097 -1.110 -4.834) 5.079 6.794 ( 0.220 -2.401 -3.444) 4.204 7.073 ( 20.493 0.832 22.726) 30.613 7.328 ( 0.101 7.728 -5.494) 9.482 7.543 ( -7.914 2.972 8.193) 11.772 7.656 ( -2.858 8.021 11.164) 14.041 8.448 ( 2.763 7.046 -7.504) 10.658 8.691 ( -0.278 -0.670 -3.233) 3.313 8.879 ( -2.410 -1.388 8.796) 9.225 9.136 ( 7.655 -6.042 -3.731) 10.441 9.292 ( 10.583 -5.935 -6.639) 13.831 9.796 ( 6.417 -2.325 -13.343) 14.987 10.729 ( -7.840 -3.687 36.414) 37.430 11.782 ( -7.607 -4.507 14.099) 16.642 12.004 ( -8.514 8.801 -8.978) 15.184 12.188 ( -8.067 6.204 5.801) 11.714 12.332 ( -4.463 6.000 1.253) 7.582 12.576 ( -7.019 8.589 11.713) 16.131 13.197 ( -5.051 11.776 -6.834) 14.522 14.347 ( 0.738 5.107 6.802) 8.538 14.759 ( 17.094 -0.291 -37.822) 41.506 15.332 ( 9.018 -1.515 -22.067) 23.887 17.581 ( -2.911 -14.263 8.385) 16.799 17.909 ( -3.543 -16.170 -4.197) 17.078 18.193 ( -5.584 -4.789 16.646) 18.199 18.657 ( -1.481 0.499 6.397) 6.585 20.338 ( -7.219 1.070 -0.675) 7.329 21.782 ( 22.741 2.500 -6.609) 23.813 ======================= Grid point 262 (131/227) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 8.330 -1.129 7.376) 11.183 2.308 ( -1.281 -0.047 -2.879) 3.152 2.847 ( 0.141 -0.310 -1.643) 1.677 3.042 ( -8.832 -25.506 -2.870) 27.144 3.694 ( -0.249 0.570 8.463) 8.485 3.768 ( -10.957 7.110 10.260) 16.609 3.976 ( 2.628 6.878 9.496) 12.016 4.299 ( 6.007 7.322 -17.019) 19.477 4.563 ( -2.501 -2.997 2.999) 4.923 5.073 ( -2.473 -0.945 1.013) 2.835 5.349 ( 0.373 -7.664 -3.955) 8.632 5.405 ( -1.096 2.848 2.642) 4.036 5.699 ( -9.592 -11.928 1.712) 15.402 6.147 ( 6.905 9.094 -11.447) 16.169 6.765 ( -0.587 -6.824 2.075) 7.157 6.846 ( -2.789 -5.954 1.281) 6.698 7.152 ( -3.960 7.311 0.952) 8.369 7.300 ( 6.762 6.120 18.509) 20.634 7.423 ( -10.325 3.882 10.150) 14.990 7.613 ( 5.774 5.991 8.881) 12.170 8.376 ( 4.563 2.034 -11.113) 12.185 8.695 ( 1.112 -1.155 -2.118) 2.656 8.890 ( -2.115 1.586 6.201) 6.741 9.252 ( 5.097 -4.127 -9.007) 11.142 9.431 ( 4.032 -2.495 -5.431) 7.209 9.829 ( 6.315 -1.770 -13.448) 14.962 10.850 ( -11.261 2.963 34.847) 36.741 11.731 ( -0.970 5.037 -4.668) 6.935 11.824 ( -4.393 -3.746 6.433) 8.644 12.026 ( -4.963 4.053 1.274) 6.533 12.236 ( -5.170 7.268 9.812) 13.260 12.479 ( -5.079 2.407 9.135) 10.726 13.055 ( 0.235 1.683 0.263) 1.720 14.205 ( 1.263 10.973 -10.203) 15.037 14.854 ( 12.248 -8.977 -23.119) 27.661 15.347 ( 9.509 -1.771 -22.124) 24.146 17.762 ( -5.436 -7.763 9.403) 13.350 18.094 ( 4.335 -8.320 -0.247) 9.385 18.279 ( -7.289 -4.254 16.595) 18.618 18.653 ( -4.068 0.481 6.355) 7.561 20.285 ( 1.209 1.452 1.912) 2.688 21.857 ( 8.217 3.646 -15.177) 17.639 ======================= Grid point 269 (132/227) ======================= q-point: (-0.40 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -15.704 -0.000 -1.196) 15.749 2.306 ( -23.576 -0.000 19.955) 30.887 2.660 ( 1.514 0.000 9.042) 9.168 2.886 ( -12.024 -0.000 -6.396) 13.619 2.963 ( -26.619 -0.000 44.639) 51.973 3.959 ( 20.745 0.000 -13.249) 24.615 4.105 ( 11.250 0.000 0.245) 11.252 4.511 ( -33.863 -0.000 4.224) 34.126 4.601 ( 1.409 0.000 6.305) 6.461 4.998 ( -4.020 -0.000 9.589) 10.398 5.077 ( -3.772 -0.000 -13.717) 14.226 5.700 ( 3.207 0.000 -3.651) 4.859 5.862 ( 1.291 0.000 -0.275) 1.320 6.153 ( 2.895 0.000 0.753) 2.991 6.638 ( 20.946 0.000 17.322) 27.181 6.746 ( 5.257 0.000 -10.967) 12.162 6.804 ( 3.865 0.000 -16.218) 16.672 7.347 ( 17.949 0.000 -39.037) 42.966 7.606 ( -5.268 -0.000 12.721) 13.768 8.036 ( -8.768 -0.000 20.641) 22.426 8.643 ( -1.234 -0.000 10.716) 10.787 8.745 ( 1.651 0.000 6.813) 7.010 8.746 ( -0.106 -0.000 -3.375) 3.377 9.003 ( 6.431 0.000 -2.112) 6.769 9.136 ( -1.512 -0.000 -9.146) 9.270 9.684 ( 1.367 0.000 -1.725) 2.201 10.464 ( -8.567 -0.000 21.889) 23.506 11.540 ( -11.960 -0.000 35.906) 37.846 12.129 ( 5.619 0.000 -14.815) 15.845 12.200 ( 7.559 0.000 23.951) 25.115 12.864 ( -23.648 -0.000 -21.300) 31.827 12.960 ( -6.680 -0.000 13.985) 15.499 14.228 ( -8.993 -0.000 -16.008) 18.361 14.298 ( 2.312 0.000 12.251) 12.467 14.936 ( 17.868 0.000 -36.721) 40.838 15.312 ( 4.659 0.000 -20.563) 21.084 17.016 ( -0.640 -0.000 0.496) 0.809 17.131 ( -0.670 -0.000 -1.778) 1.900 18.039 ( -8.253 -0.000 17.472) 19.323 18.666 ( 0.190 0.000 5.235) 5.238 20.491 ( -13.122 -0.000 -0.778) 13.145 21.558 ( 33.092 0.000 1.660) 33.134 ======================= Grid point 270 (133/227) ======================= q-point: (-0.30 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -8.123 -0.553 -2.408) 8.491 2.163 ( -22.543 -5.644 19.488) 30.329 2.594 ( -10.653 6.318 -0.393) 12.392 2.777 ( -7.945 -4.639 4.725) 10.343 3.086 ( -22.950 -20.565 32.389) 44.706 4.028 ( 6.549 0.406 -9.126) 11.240 4.176 ( -24.791 2.406 12.364) 27.808 4.244 ( 8.263 -2.296 -5.527) 10.203 4.653 ( -0.049 -0.720 8.144) 8.176 4.978 ( -0.527 2.584 3.833) 4.653 5.055 ( 2.332 -2.958 -7.602) 8.484 5.611 ( -9.099 6.102 -4.365) 11.793 5.797 ( -0.041 0.538 -10.783) 10.797 6.137 ( -2.574 0.379 1.125) 2.834 6.747 ( 6.763 -0.107 -14.931) 16.392 6.777 ( 1.873 -0.034 -8.827) 9.024 7.094 ( 25.761 -0.077 29.794) 39.387 7.374 ( 15.387 -2.778 -33.208) 36.704 7.640 ( 6.492 2.564 6.334) 9.425 7.961 ( -8.650 9.153 19.439) 23.162 8.693 ( 1.144 0.916 0.620) 1.591 8.745 ( -3.912 -4.449 9.489) 11.186 8.852 ( 3.373 3.455 2.212) 5.311 8.940 ( 0.006 3.546 1.136) 3.724 9.132 ( 9.145 -3.004 -10.793) 14.462 9.719 ( 4.435 -2.250 -6.088) 7.861 10.547 ( -7.660 -5.869 27.593) 29.232 11.627 ( -11.411 -3.616 33.200) 35.292 12.090 ( 0.480 -1.220 -13.723) 13.785 12.356 ( -1.379 2.957 17.189) 17.496 12.465 ( -19.126 2.890 -14.900) 24.416 12.898 ( -6.715 7.364 14.385) 17.501 13.841 ( -10.624 20.940 -11.760) 26.261 14.370 ( -0.528 -0.411 9.261) 9.285 14.907 ( 17.012 4.529 -37.771) 41.672 15.285 ( 8.432 -1.216 -21.331) 22.970 17.104 ( -1.160 -11.141 2.224) 11.420 17.270 ( -1.476 -17.987 -2.452) 18.213 18.071 ( -6.285 -2.244 18.716) 19.870 18.686 ( -0.786 0.812 4.986) 5.113 20.363 ( -7.396 0.411 0.186) 7.410 21.891 ( 29.090 2.884 -5.605) 29.765 ======================= Grid point 271 (134/227) ======================= q-point: (-0.20 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 10.782 -1.210 7.814) 13.370 2.216 ( -17.949 -19.435 11.055) 28.672 2.362 ( -12.101 3.148 -2.010) 12.664 2.793 ( -5.903 -4.027 3.386) 7.907 3.344 ( -16.317 -21.030 20.501) 33.597 3.952 ( -8.649 4.353 4.460) 10.661 4.084 ( 1.428 0.568 9.008) 9.139 4.297 ( -2.336 -4.348 -9.992) 11.144 4.682 ( -3.119 3.119 9.201) 10.204 4.968 ( -3.404 -1.224 8.257) 9.015 5.121 ( 5.132 -4.776 -6.397) 9.491 5.355 ( -14.373 -0.112 -11.168) 18.203 5.713 ( 5.655 8.157 -8.479) 13.054 6.167 ( -1.852 -7.206 0.608) 7.465 6.716 ( 5.485 2.703 -14.840) 16.051 6.766 ( 2.162 0.024 -3.554) 4.160 7.344 ( -3.135 2.119 11.976) 12.560 7.439 ( 9.705 -1.335 -4.706) 10.868 7.697 ( 8.418 13.524 11.385) 19.580 7.841 ( 6.342 7.419 6.581) 11.772 8.607 ( -0.398 13.354 -1.409) 13.434 8.698 ( 2.347 2.615 -2.832) 4.513 8.850 ( -3.534 -4.890 11.477) 12.967 9.081 ( 5.663 -6.710 -6.096) 10.689 9.273 ( 8.532 -6.182 -5.183) 11.742 9.775 ( 7.883 -1.674 -12.632) 14.983 10.778 ( -1.734 -8.040 36.049) 36.976 11.717 ( -8.611 -2.953 22.173) 23.969 11.978 ( -8.329 6.952 -5.796) 12.300 12.115 ( -9.404 2.076 -7.032) 11.925 12.394 ( -6.704 2.194 10.532) 12.676 12.748 ( -6.703 11.510 15.874) 20.722 13.335 ( -7.249 18.574 -7.884) 21.441 14.394 ( -6.415 0.022 9.981) 11.865 14.797 ( 18.314 5.683 -42.962) 47.048 15.301 ( 10.156 -1.216 -20.930) 23.296 17.329 ( -3.190 -16.413 4.973) 17.444 17.589 ( 2.519 -21.832 -0.601) 21.985 18.150 ( -6.205 -3.627 18.100) 19.475 18.672 ( -3.497 0.893 4.332) 5.638 20.325 ( 1.132 0.955 3.356) 3.668 22.037 ( 17.954 6.791 -15.070) 24.404 ======================= Grid point 272 (135/227) ======================= q-point: (-0.10 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 8.363 1.118 15.834) 17.941 2.246 ( -2.101 -4.507 -2.197) 5.436 2.471 ( -12.664 -27.702 3.957) 30.715 2.814 ( -2.926 -3.941 0.358) 4.921 3.536 ( -13.769 -12.848 3.126) 19.089 3.859 ( 0.325 4.014 8.892) 9.762 4.163 ( -4.041 -2.383 7.439) 8.795 4.239 ( -2.219 -1.431 -1.970) 3.294 4.567 ( -3.695 7.782 4.805) 9.864 5.025 ( -2.840 -4.064 6.503) 8.178 5.217 ( -2.828 -4.417 -11.857) 12.965 5.263 ( -1.246 -9.742 -0.214) 9.824 5.599 ( 1.814 6.596 -4.195) 8.025 6.278 ( 8.173 0.054 -5.183) 9.678 6.673 ( 1.366 -1.772 -4.055) 4.631 6.789 ( 2.236 -1.707 -1.481) 3.179 7.242 ( -4.634 8.257 2.834) 9.884 7.463 ( -2.889 3.938 7.349) 8.824 7.560 ( -3.970 11.278 16.122) 20.072 7.880 ( 11.863 8.163 1.326) 14.461 8.428 ( 2.808 6.704 -7.687) 10.579 8.707 ( 4.207 0.063 -2.347) 4.818 8.916 ( -2.704 -0.562 9.029) 9.442 9.176 ( 3.395 -4.662 -10.046) 11.584 9.388 ( 1.359 -2.897 -5.182) 6.090 9.806 ( 7.246 -0.961 -15.544) 17.177 11.007 ( -7.543 5.228 36.233) 37.377 11.755 ( -8.888 -0.223 14.900) 17.351 11.805 ( 7.198 1.112 -1.645) 7.467 11.996 ( -8.339 0.832 1.263) 8.475 12.294 ( -7.351 3.092 3.549) 8.729 12.563 ( -6.962 10.559 13.616) 18.584 13.110 ( 1.538 3.280 0.649) 3.681 14.276 ( -9.169 6.564 -0.705) 11.299 14.765 ( 16.979 -2.783 -34.865) 38.879 15.326 ( 10.531 -0.679 -20.198) 22.789 17.562 ( -5.304 -14.271 6.260) 16.462 17.999 ( 12.651 -17.171 2.928) 21.528 18.223 ( -7.447 -3.435 17.643) 19.456 18.635 ( -4.906 0.216 4.742) 6.827 20.385 ( 7.412 1.494 6.743) 10.131 21.913 ( 0.735 9.226 -23.569) 25.321 ======================= Grid point 280 (136/227) ======================= q-point: (-0.30 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 10.635 0.000 7.526) 13.029 1.960 ( -24.726 -0.000 21.453) 32.736 2.473 ( -17.042 -0.000 -5.557) 17.925 2.694 ( -10.747 -0.000 13.644) 17.368 2.793 ( -24.314 -0.000 36.905) 44.194 4.033 ( 2.379 0.000 -11.368) 11.614 4.079 ( -9.619 -0.000 20.126) 22.306 4.220 ( -4.074 -0.000 -7.138) 8.219 4.676 ( -3.670 -0.000 10.979) 11.577 5.029 ( 0.244 0.000 4.439) 4.446 5.036 ( 7.465 0.000 -9.655) 12.204 5.433 ( -21.422 -0.000 -13.048) 25.083 5.731 ( 2.328 0.000 -2.392) 3.338 6.161 ( 0.192 0.000 -1.345) 1.359 6.716 ( 8.539 0.000 -21.425) 23.063 6.770 ( 1.940 0.000 -5.259) 5.606 7.354 ( 19.111 0.000 -38.933) 43.371 7.367 ( -3.590 -0.000 28.612) 28.836 7.942 ( 28.520 0.000 0.545) 28.525 8.057 ( -7.452 -0.000 22.715) 23.907 8.695 ( -6.375 -0.000 16.121) 17.336 8.737 ( 2.282 0.000 -2.913) 3.701 8.898 ( 7.655 0.000 -2.980) 8.215 8.989 ( -3.096 -0.000 -0.390) 3.121 9.174 ( 9.456 0.000 -6.080) 11.242 9.730 ( 6.090 0.000 -4.982) 7.868 10.571 ( -3.468 -0.000 28.678) 28.887 11.662 ( -10.379 -0.000 36.032) 37.497 12.003 ( -0.441 -0.000 -14.383) 14.390 12.221 ( -12.640 -0.000 -5.274) 13.696 12.425 ( -8.703 -0.000 14.233) 16.683 12.957 ( -6.733 -0.000 14.071) 15.599 13.829 ( -11.842 -0.000 -10.461) 15.801 14.383 ( -3.781 -0.000 6.172) 7.238 14.933 ( 14.606 0.000 -36.071) 38.916 15.277 ( 11.515 0.000 -19.615) 22.745 17.010 ( -0.513 -0.000 0.887) 1.025 17.086 ( -1.667 -0.000 -1.565) 2.286 18.085 ( -6.310 -0.000 19.893) 20.870 18.691 ( -3.397 -0.000 3.279) 4.721 20.341 ( 1.257 0.000 4.029) 4.221 22.173 ( 23.975 0.000 -16.190) 28.929 ======================= Grid point 281 (137/227) ======================= q-point: (-0.20 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -23.116 -7.596 21.369) 32.384 2.037 ( 14.977 -0.802 14.415) 20.802 2.221 ( -16.499 2.226 -1.899) 16.757 2.665 ( -11.520 -4.608 9.505) 15.630 2.898 ( -22.233 -20.532 30.850) 43.216 3.852 ( -27.095 -2.181 -16.436) 31.765 4.098 ( -2.973 2.222 0.305) 3.725 4.216 ( 8.219 -1.907 17.166) 19.128 4.699 ( -6.190 -0.817 16.108) 17.276 5.011 ( -2.909 4.656 6.106) 8.211 5.116 ( 9.150 -2.036 -5.299) 10.767 5.163 ( -3.422 0.650 -17.706) 18.045 5.804 ( 6.027 -2.941 -5.718) 8.813 6.101 ( -0.123 2.828 -0.040) 2.831 6.718 ( 7.108 -0.175 -16.373) 17.850 6.778 ( 4.303 -1.228 -7.249) 8.519 7.372 ( 9.139 0.248 -18.918) 21.011 7.440 ( -1.387 -2.193 8.835) 9.209 7.961 ( -9.059 9.476 18.659) 22.804 8.148 ( 14.372 8.530 -3.105) 16.998 8.727 ( 3.137 2.654 -2.242) 4.682 8.773 ( -5.402 -6.669 14.844) 17.146 8.845 ( -2.183 10.566 -1.055) 10.841 9.023 ( 6.999 -3.263 -5.139) 9.276 9.261 ( 7.508 -2.395 -4.456) 9.053 9.784 ( 7.759 -0.840 -10.906) 13.410 10.810 ( 1.789 -10.131 29.945) 31.663 11.764 ( 1.215 -0.134 21.568) 21.603 11.929 ( -5.130 -1.767 -6.430) 8.413 12.106 ( -5.560 8.264 18.554) 21.058 12.337 ( -14.365 0.386 6.813) 15.904 12.904 ( -6.393 6.251 15.188) 17.625 13.492 ( -9.900 17.005 -7.757) 21.151 14.343 ( -10.046 0.116 7.482) 12.526 14.857 ( 16.156 4.542 -40.927) 44.234 15.329 ( 14.094 0.949 -15.905) 21.272 17.088 ( -2.089 -10.703 1.492) 11.006 17.270 ( 3.475 -22.381 0.712) 22.660 18.133 ( -6.921 -1.827 20.272) 21.498 18.652 ( -4.717 0.542 2.456) 5.346 20.424 ( 7.695 0.736 7.959) 11.095 22.211 ( 11.277 7.100 -29.355) 32.238 ======================= Grid point 282 (138/227) ======================= q-point: (-0.10 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -16.817 -22.248 12.675) 30.634 2.055 ( -11.821 -2.979 1.771) 12.318 2.235 ( 2.054 -0.310 16.254) 16.386 2.661 ( -10.872 -6.164 2.096) 12.672 3.046 ( -34.980 -12.410 -4.835) 37.430 3.513 ( -36.585 -23.367 11.357) 44.871 4.065 ( 5.051 1.680 -4.807) 7.172 4.495 ( 16.920 0.690 13.488) 21.649 4.707 ( -0.779 4.927 18.584) 19.242 4.941 ( -8.255 -1.649 12.106) 14.745 5.118 ( 9.505 -0.393 -20.257) 22.379 5.253 ( 11.779 -1.351 -1.783) 11.989 5.754 ( 5.925 10.726 -8.723) 15.041 6.263 ( 9.643 -12.753 3.694) 16.409 6.702 ( 7.422 2.925 -13.277) 15.489 6.807 ( 4.577 0.045 -4.134) 6.168 7.324 ( -2.072 5.281 1.193) 5.797 7.498 ( 2.922 -1.040 -3.991) 5.055 7.768 ( -8.871 12.773 18.918) 24.489 8.064 ( 0.418 6.745 -7.540) 10.125 8.594 ( 0.782 13.970 -1.484) 14.070 8.759 ( 5.378 0.820 -2.386) 5.941 8.891 ( -3.736 -4.971 10.793) 12.456 9.095 ( 3.035 -3.254 -8.067) 9.213 9.342 ( 3.128 -1.808 -4.160) 5.510 9.801 ( 7.210 0.214 -15.284) 16.901 11.119 ( -2.922 -6.914 22.196) 23.431 11.789 ( -13.704 -0.823 -1.654) 13.828 11.905 ( -12.422 20.220 29.604) 37.942 11.993 ( 10.515 -0.798 11.936) 15.927 12.226 ( -4.609 -1.706 -0.783) 4.976 12.770 ( -7.085 13.775 16.811) 22.859 13.187 ( 0.448 4.653 -0.923) 4.765 14.210 ( -15.407 2.686 5.396) 16.544 14.779 ( 19.838 2.582 -40.806) 45.446 15.377 ( 13.279 2.973 -13.742) 19.339 17.289 ( -3.417 -15.760 2.913) 16.387 17.853 ( 20.242 -28.526 4.855) 35.314 18.197 ( -6.362 -2.684 21.495) 22.577 18.610 ( -3.578 0.190 3.866) 5.271 20.553 ( 8.678 1.661 9.831) 13.218 21.874 ( -10.425 11.946 -38.635) 41.762 ======================= Grid point 291 (139/227) ======================= q-point: (-0.20 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -24.756 -0.000 25.029) 35.204 2.028 ( -16.396 -0.000 0.021) 16.396 2.263 ( 4.261 0.000 17.530) 18.040 2.479 ( -25.713 -0.000 28.338) 38.265 2.651 ( -15.388 -0.000 17.244) 23.111 3.186 ( -60.335 -0.000 -17.866) 62.924 4.097 ( 1.856 0.000 -7.911) 8.126 4.481 ( 17.632 0.000 16.795) 24.351 4.726 ( -4.020 -0.000 18.499) 18.931 5.049 ( -5.458 -0.000 6.216) 8.273 5.121 ( 9.690 0.000 -15.299) 18.109 5.240 ( 17.721 0.000 0.827) 17.740 5.785 ( 4.938 0.000 1.353) 5.120 6.161 ( 1.595 0.000 -2.112) 2.646 6.719 ( 10.750 0.000 -18.243) 21.175 6.762 ( 4.441 0.000 -8.797) 9.855 7.375 ( 17.729 0.000 -37.491) 41.472 7.454 ( -8.659 -0.000 22.429) 24.042 8.026 ( -7.170 -0.000 11.656) 13.684 8.262 ( -5.014 -0.000 -3.115) 5.903 8.707 ( -7.987 -0.000 17.011) 18.793 8.775 ( 2.541 0.000 -0.951) 2.714 8.863 ( 0.613 0.000 -7.906) 7.929 9.106 ( 7.655 0.000 -0.264) 7.659 9.319 ( 7.292 0.000 -3.758) 8.204 9.802 ( 6.497 0.000 -11.098) 12.860 10.852 ( -2.920 -0.000 22.727) 22.914 11.771 ( -12.411 -0.000 -7.597) 14.552 11.949 ( 14.554 0.000 7.134) 16.208 12.170 ( -14.706 -0.000 -1.073) 14.745 12.424 ( 9.560 0.000 54.432) 55.265 12.950 ( -6.688 -0.000 13.290) 14.878 13.496 ( -9.263 -0.000 -5.693) 10.873 14.246 ( -13.961 -0.000 6.888) 15.567 14.867 ( 17.373 0.000 -40.167) 43.764 15.528 ( 25.942 0.000 -1.294) 25.975 17.015 ( -0.027 -0.000 2.114) 2.114 17.028 ( -1.754 -0.000 -1.379) 2.231 18.153 ( -7.036 -0.000 22.685) 23.751 18.619 ( -3.524 -0.000 2.359) 4.240 20.584 ( 9.228 0.000 10.682) 14.116 22.123 ( -3.808 -0.000 -49.620) 49.766 ======================= Grid point 292 (140/227) ======================= q-point: (-0.10 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -20.368 -9.339 24.770) 33.401 1.859 ( -14.531 -2.213 3.146) 15.031 2.180 ( -61.242 -4.562 -20.062) 64.605 2.336 ( -5.544 1.072 18.459) 19.303 2.505 ( -18.006 -4.600 3.038) 18.831 2.843 ( -28.126 -25.950 39.072) 54.690 4.073 ( 2.485 -0.687 -10.361) 10.677 4.676 ( 5.879 2.156 3.541) 7.194 4.810 ( -0.599 -3.241 16.019) 16.354 4.983 ( -2.928 5.746 8.344) 10.545 5.143 ( 9.540 1.376 -15.375) 18.146 5.473 ( 19.676 0.585 2.099) 19.796 5.940 ( 9.001 4.793 -4.586) 11.181 6.193 ( 8.516 -10.134 5.257) 14.243 6.776 ( 13.100 -0.288 -15.552) 20.336 6.814 ( 7.478 -2.619 -4.432) 9.078 7.363 ( 7.368 1.492 -18.703) 20.158 7.476 ( -1.975 -1.755 3.619) 4.481 7.943 ( -7.488 6.975 12.007) 15.776 8.046 ( -14.231 8.030 0.394) 16.345 8.777 ( 1.213 3.725 -0.068) 3.918 8.789 ( -7.608 -5.836 14.849) 17.676 8.819 ( 4.784 1.071 -4.786) 6.851 9.123 ( 6.669 5.765 -3.827) 9.610 9.367 ( 5.279 0.593 -3.553) 6.390 9.809 ( 6.612 0.320 -13.397) 14.943 10.998 ( -6.616 -10.833 15.872) 20.324 11.537 ( -24.619 -0.900 -0.323) 24.638 12.009 ( -2.998 2.285 -7.012) 7.961 12.183 ( 12.753 -4.837 0.030) 13.639 12.594 ( 3.765 29.568 39.607) 49.570 12.986 ( -1.733 6.386 24.897) 25.762 13.251 ( -3.631 7.628 -4.098) 9.389 14.094 ( -15.814 1.750 6.011) 17.008 14.848 ( 21.157 3.029 -38.322) 43.879 15.690 ( 22.617 20.585 4.012) 30.844 17.054 ( -1.444 -10.299 0.500) 10.412 17.578 ( 24.286 -43.371 6.060) 50.076 18.239 ( -0.440 -3.007 28.136) 28.300 18.604 ( -1.432 -0.021 4.047) 4.293 20.721 ( 5.474 1.779 10.466) 11.945 21.540 ( -33.239 7.038 -60.977) 69.803 ======================= Grid point 302 (141/227) ======================= q-point: (-0.10 -0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -68.961 -0.000 -15.901) 70.771 1.422 ( -15.717 -0.000 30.188) 34.034 1.721 ( -12.162 -0.000 7.343) 14.207 2.314 ( -17.454 -0.000 17.853) 24.967 2.377 ( -7.754 -0.000 18.912) 20.440 2.549 ( -22.028 -0.000 39.113) 44.889 4.015 ( 0.651 0.000 -13.640) 13.655 4.745 ( 1.923 0.000 -3.817) 4.274 4.836 ( -3.486 -0.000 14.846) 15.250 5.046 ( 6.420 0.000 -15.421) 16.704 5.247 ( 4.572 0.000 5.332) 7.024 5.547 ( 4.564 0.000 -7.630) 8.891 6.058 ( 3.075 0.000 2.386) 3.892 6.198 ( 3.120 0.000 -1.239) 3.357 6.763 ( 9.245 0.000 -18.294) 20.497 6.996 ( 20.757 0.000 5.195) 21.398 7.351 ( 14.836 0.000 -35.333) 38.322 7.432 ( -10.326 -0.000 11.641) 15.561 7.876 ( -10.146 -0.000 4.189) 10.977 8.088 ( -11.722 -0.000 23.021) 25.834 8.695 ( -9.150 -0.000 17.699) 19.924 8.843 ( 3.005 0.000 1.784) 3.494 8.846 ( 6.061 0.000 -8.444) 10.394 9.286 ( 9.205 0.000 -0.190) 9.207 9.411 ( 4.361 0.000 -4.583) 6.326 9.818 ( 6.454 0.000 -12.162) 13.769 10.886 ( -9.836 -0.000 15.787) 18.601 11.239 ( -24.343 -0.000 2.282) 24.450 11.955 ( 1.160 0.000 -10.990) 11.051 12.276 ( 8.653 0.000 -1.894) 8.858 12.932 ( -6.418 -0.000 11.246) 12.949 13.233 ( 5.432 0.000 3.486) 6.454 13.354 ( 5.154 0.000 10.610) 11.796 13.969 ( -13.619 -0.000 5.365) 14.637 14.946 ( 24.362 0.000 -32.660) 40.745 16.622 ( 39.009 0.000 3.421) 39.158 16.986 ( -0.654 -0.000 -0.979) 1.178 17.176 ( 16.133 0.000 9.712) 18.831 18.470 ( 21.947 0.000 39.457) 45.150 18.615 ( -0.499 -0.000 4.733) 4.759 20.623 ( -68.274 -0.000 -60.767) 91.400 20.834 ( 0.567 0.000 10.038) 10.054 ======================= Grid point 303 (142/227) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 6.705 0.000 7.807) 10.291 2.086 ( -1.416 -0.000 -4.096) 4.334 2.244 ( -9.445 -0.000 36.388) 37.594 2.314 ( 52.188 0.000 31.182) 60.794 2.737 ( -14.715 -0.000 13.566) 20.014 3.363 ( -3.648 -0.000 -1.808) 4.072 3.640 ( -8.746 -0.000 24.993) 26.479 4.246 ( -26.513 -0.000 -13.760) 29.871 4.522 ( 11.491 0.000 -22.484) 25.250 4.923 ( -4.199 -0.000 -24.469) 24.827 5.234 ( -9.973 -0.000 22.133) 24.276 5.416 ( -8.741 -0.000 12.771) 15.476 5.773 ( -3.795 -0.000 -5.425) 6.621 6.199 ( -3.020 -0.000 0.866) 3.142 6.435 ( 10.798 0.000 -25.135) 27.356 6.571 ( 19.048 0.000 -30.710) 36.138 7.515 ( -6.122 -0.000 5.127) 7.985 7.561 ( 6.162 0.000 3.714) 7.195 8.160 ( -10.466 -0.000 16.726) 19.730 8.677 ( -8.244 -0.000 27.639) 28.842 8.757 ( 12.194 0.000 -12.706) 17.610 9.007 ( -9.600 -0.000 17.612) 20.058 9.039 ( 2.669 0.000 6.025) 6.590 9.285 ( -0.661 -0.000 -7.264) 7.294 9.453 ( 8.239 0.000 -8.581) 11.896 9.608 ( 8.159 0.000 -13.740) 15.980 11.045 ( -13.399 -0.000 13.252) 18.846 11.278 ( 10.974 0.000 8.083) 13.630 11.744 ( 7.285 0.000 -7.020) 10.117 11.999 ( -9.689 -0.000 -12.197) 15.577 13.042 ( -5.403 -0.000 6.016) 8.086 13.143 ( -9.001 -0.000 0.129) 9.002 13.442 ( -4.418 -0.000 7.970) 9.112 13.783 ( -5.429 -0.000 -4.468) 7.031 15.137 ( 39.847 0.000 -0.570) 39.852 15.768 ( -42.989 -0.000 -27.639) 51.108 16.959 ( -3.726 -0.000 0.321) 3.740 16.973 ( 1.706 0.000 -0.415) 1.755 18.582 ( -14.498 -0.000 11.375) 18.428 18.753 ( 2.530 0.000 2.093) 3.283 20.859 ( -21.213 -0.000 5.469) 21.906 21.090 ( 51.940 0.000 -6.095) 52.296 ======================= Grid point 304 (143/227) ======================= q-point: ( 0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 1.883 -1.703 2.738) 3.734 2.063 ( 3.856 -5.063 -0.673) 6.400 2.358 ( -6.563 -2.310 34.445) 35.141 2.547 ( -21.293 0.207 -6.054) 22.138 3.030 ( 37.607 -3.140 15.351) 40.740 3.365 ( 9.729 -2.407 -18.277) 20.845 3.774 ( -11.421 -7.113 27.235) 30.377 3.883 ( -27.044 -5.662 3.716) 27.880 4.576 ( 13.361 -0.648 -9.570) 16.448 4.826 ( 4.997 -1.442 -19.320) 20.008 5.248 ( -9.254 -2.162 17.222) 19.669 5.343 ( -5.160 5.485 19.380) 20.792 5.750 ( 2.649 0.559 -7.703) 8.165 6.117 ( -2.980 0.997 -6.228) 6.976 6.455 ( 8.831 -2.968 -17.869) 20.152 6.780 ( 15.403 -15.633 -24.498) 32.891 7.427 ( -7.946 2.815 2.896) 8.913 7.625 ( 5.069 3.219 4.797) 7.685 8.105 ( -11.466 1.317 12.392) 16.935 8.522 ( -12.127 17.816 22.630) 31.251 8.786 ( 9.253 4.634 -10.238) 14.557 9.058 ( -8.238 -2.573 13.213) 15.782 9.101 ( 1.823 -0.942 5.189) 5.580 9.243 ( -0.476 -2.247 -6.845) 7.220 9.299 ( 1.856 16.407 -9.481) 19.040 9.635 ( 6.896 -0.127 -11.951) 13.798 11.066 ( -13.749 -12.867 9.932) 21.290 11.487 ( 12.394 -3.237 4.424) 13.552 11.800 ( 2.300 0.252 -2.724) 3.574 11.879 ( -1.613 -4.676 -8.706) 10.013 12.840 ( -19.785 12.443 16.397) 28.551 13.047 ( -16.018 -1.237 7.417) 17.695 13.313 ( 5.836 18.732 5.077) 20.266 13.693 ( -1.669 2.226 -5.667) 6.313 15.116 ( -14.098 10.150 -18.640) 25.480 15.490 ( 31.644 12.609 -0.469) 34.066 17.114 ( -1.636 -20.091 3.684) 20.492 17.239 ( -0.037 -24.983 -3.260) 25.195 18.514 ( -10.502 -1.261 12.709) 16.535 18.786 ( 1.251 0.704 3.340) 3.635 20.600 ( -24.149 0.329 -0.528) 24.157 21.503 ( 34.936 3.642 -16.402) 38.766 ======================= Grid point 305 (144/227) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -9.738 -0.957 -4.873) 10.931 2.191 ( -15.584 -4.099 -16.064) 22.754 2.308 ( 9.542 -5.260 4.381) 11.744 2.608 ( -0.225 -11.273 24.281) 26.772 3.306 ( 10.206 -4.116 -18.500) 21.526 3.565 ( 24.688 -1.997 -8.799) 26.285 3.683 ( -18.587 -5.660 14.817) 24.435 3.992 ( -9.104 -7.298 17.466) 21.005 4.718 ( 5.233 -3.588 0.434) 6.360 4.902 ( 10.972 -3.780 -1.837) 11.750 5.264 ( 1.161 2.132 9.855) 10.150 5.380 ( -6.341 -1.713 22.695) 23.626 5.724 ( 9.381 3.367 -7.708) 12.600 6.066 ( -1.322 -2.239 -9.860) 10.197 6.550 ( 3.809 -8.422 -6.877) 11.521 7.069 ( 11.311 -13.935 -17.239) 24.886 7.291 ( -6.343 5.430 2.331) 8.669 7.619 ( 3.039 6.346 1.725) 7.244 7.977 ( -17.139 1.480 9.153) 19.486 8.161 ( -15.259 18.840 18.328) 30.392 8.668 ( 6.230 19.103 -5.174) 20.748 8.911 ( -0.819 9.858 -11.271) 14.997 9.084 ( -5.797 2.345 4.934) 7.966 9.169 ( 2.092 -0.777 1.820) 2.879 9.280 ( -1.293 -4.788 -2.673) 5.633 9.639 ( 6.280 0.914 -12.250) 13.796 11.170 ( -15.073 -14.058 6.644) 21.655 11.665 ( 8.218 -2.618 -1.063) 8.690 11.813 ( 2.220 -3.528 -0.593) 4.211 11.987 ( 4.167 -4.325 3.992) 7.211 12.461 ( -25.684 15.144 31.281) 43.215 12.874 ( -9.361 8.516 8.735) 15.377 13.146 ( 9.826 13.379 -4.760) 17.268 13.624 ( 1.962 2.239 -7.196) 7.788 14.880 ( 2.737 1.697 -19.656) 19.918 15.510 ( 19.743 18.244 -6.246) 27.598 17.446 ( -5.448 -22.808 -0.358) 23.452 17.679 ( 4.251 -22.619 10.139) 25.149 18.520 ( -7.658 -4.208 12.548) 15.291 18.790 ( -0.574 2.213 4.985) 5.484 20.333 ( -18.031 -0.681 -4.691) 18.643 21.629 ( 17.656 5.252 -18.961) 26.436 ======================= Grid point 306 (145/227) ======================= q-point: ( 0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 3.402 -0.907 -5.163) 6.250 2.138 ( 1.740 -4.680 -6.594) 8.271 2.548 ( 8.135 -6.953 3.515) 11.264 2.953 ( 3.584 -14.982 12.949) 20.124 3.396 ( 10.797 -5.160 -17.274) 21.014 3.698 ( -4.794 -5.127 9.444) 11.767 3.752 ( 8.917 -2.695 -9.595) 13.373 4.038 ( -10.507 -3.449 13.577) 17.510 4.815 ( 2.238 -3.231 0.371) 3.948 5.024 ( -2.167 -0.956 9.158) 9.460 5.338 ( 7.334 0.446 2.986) 7.931 5.415 ( -4.659 -0.070 10.937) 11.888 5.823 ( 10.827 -0.681 -4.825) 11.873 6.035 ( 0.420 0.057 -4.720) 4.739 6.730 ( -0.600 -13.070 1.392) 13.157 7.143 ( -3.751 7.299 2.139) 8.480 7.240 ( 3.399 -1.827 -5.932) 7.076 7.438 ( -11.182 6.806 -9.879) 16.400 7.821 ( -15.212 -0.188 19.571) 24.788 7.894 ( -5.001 10.311 12.241) 16.768 8.333 ( 4.304 20.274 -8.167) 22.277 8.770 ( 1.436 3.727 -9.056) 9.898 9.017 ( -5.402 1.918 5.176) 7.723 9.203 ( 2.437 0.312 -2.258) 3.337 9.301 ( -3.159 -3.669 -5.293) 7.173 9.621 ( 6.802 1.838 -14.033) 15.703 11.235 ( -14.641 -10.253 11.297) 21.145 11.781 ( 9.139 1.639 5.627) 10.857 11.915 ( 4.856 -2.744 -0.191) 5.581 12.086 ( -8.553 -0.134 18.653) 20.520 12.194 ( -9.173 6.190 17.845) 20.997 12.702 ( -3.752 7.742 5.347) 10.130 13.053 ( 7.317 6.271 -7.957) 12.497 13.594 ( 5.018 1.093 -9.130) 10.475 14.838 ( 8.922 0.399 -18.837) 20.847 15.345 ( 8.077 15.403 -12.248) 21.272 17.705 ( -2.534 -16.238 -0.322) 16.438 18.048 ( -2.388 -13.171 13.180) 18.786 18.598 ( -7.628 -7.017 12.814) 16.481 18.756 ( -2.258 3.379 5.577) 6.901 20.206 ( -2.904 -1.753 -2.129) 4.005 21.579 ( 4.876 3.457 -19.459) 20.356 ======================= Grid point 307 (146/227) ======================= q-point: ( 0.40 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 15.902 -2.730 12.916) 20.668 2.256 ( 16.059 -1.332 -2.503) 16.307 2.728 ( 4.465 -4.814 0.916) 6.629 3.198 ( 6.161 -4.122 -8.384) 11.191 3.561 ( 5.464 -9.425 -0.023) 10.894 3.725 ( 4.483 -0.378 -21.389) 21.857 3.863 ( -3.769 -6.033 14.240) 15.918 4.057 ( -6.896 -5.985 16.731) 19.060 4.844 ( -0.278 3.545 5.156) 6.263 5.042 ( -3.031 -1.157 6.651) 7.400 5.394 ( 0.536 -0.534 -2.194) 2.321 5.438 ( -1.072 -1.739 3.216) 3.810 5.764 ( 1.673 7.936 -16.682) 18.549 6.010 ( -6.019 1.501 0.981) 6.280 6.932 ( -3.895 -11.766 4.007) 13.025 6.978 ( -6.453 4.619 -0.330) 7.942 7.125 ( -5.240 3.446 3.067) 6.981 7.291 ( -0.790 3.203 -1.971) 3.842 7.748 ( -5.596 5.749 11.295) 13.854 7.876 ( -2.859 -0.747 21.432) 21.635 8.137 ( 5.746 4.977 -11.878) 14.102 8.702 ( 3.301 2.966 -6.813) 8.131 8.959 ( -4.582 1.051 4.774) 6.700 9.178 ( 0.905 2.309 -6.610) 7.060 9.280 ( -4.345 -3.321 -5.782) 7.959 9.589 ( 8.233 2.675 -16.699) 18.810 11.291 ( -15.703 -7.583 21.955) 28.038 11.861 ( 3.159 5.336 17.747) 18.799 11.994 ( 3.875 -0.271 1.438) 4.142 12.026 ( -3.503 4.562 11.398) 12.767 12.212 ( -2.793 -4.015 5.945) 7.698 12.603 ( -2.901 3.211 3.598) 5.628 13.041 ( 7.764 0.059 -9.485) 12.258 13.604 ( 7.594 -0.331 -12.021) 14.223 14.844 ( 9.967 2.020 -15.115) 18.218 15.104 ( 0.577 10.438 -16.192) 19.274 17.895 ( -0.750 -8.328 3.196) 8.952 18.213 ( -2.189 -5.734 8.250) 10.283 18.640 ( -12.325 -2.482 12.771) 17.921 18.717 ( -0.630 0.843 2.547) 2.756 20.294 ( 9.818 -1.665 6.137) 11.697 21.444 ( -4.421 -0.013 -20.768) 21.234 ======================= Grid point 308 (147/227) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 0.336 -1.670 6.587) 6.804 2.510 ( 15.995 2.760 14.455) 21.734 2.810 ( 0.588 -1.428 -1.420) 2.098 3.146 ( 3.586 10.984 -7.098) 13.561 3.493 ( -17.204 4.340 -21.842) 28.140 3.756 ( 7.266 -4.693 -7.466) 11.426 4.022 ( -2.491 -11.373 13.920) 18.147 4.355 ( 12.370 -11.356 23.172) 28.617 4.763 ( -0.833 9.044 5.838) 10.796 5.023 ( -8.090 1.598 -2.946) 8.756 5.256 ( -2.287 7.322 -7.913) 11.021 5.475 ( 0.516 -0.602 3.076) 3.177 5.638 ( -2.976 -3.598 -11.426) 12.343 5.891 ( -0.898 2.892 -1.458) 3.361 6.887 ( -1.945 0.582 2.004) 2.853 7.024 ( -1.211 3.348 3.255) 4.824 7.087 ( -1.693 -1.349 5.591) 5.996 7.276 ( -1.436 -4.615 -1.237) 4.989 7.686 ( -5.327 1.308 11.968) 13.165 7.997 ( -2.472 -2.482 21.805) 22.084 8.118 ( 5.659 -0.744 -12.386) 13.638 8.677 ( 5.567 2.250 -6.855) 9.113 8.944 ( -3.372 -2.218 3.405) 5.281 9.101 ( -0.652 1.924 -6.354) 6.671 9.254 ( -3.395 -2.743 -4.481) 6.255 9.551 ( 9.322 2.735 -18.324) 20.740 11.352 ( -16.860 -6.861 28.399) 33.732 11.885 ( -8.295 0.952 15.682) 17.766 11.974 ( -0.339 2.657 2.408) 3.602 12.021 ( -5.285 -2.368 5.824) 8.213 12.304 ( 10.484 1.969 3.287) 11.162 12.561 ( -3.660 -0.197 3.730) 5.229 13.123 ( 9.112 -3.915 -8.787) 13.251 13.643 ( 9.448 -1.676 -16.590) 19.165 14.745 ( -3.681 8.784 -8.176) 12.552 14.968 ( 10.110 0.350 -18.263) 20.877 17.949 ( -6.316 0.249 6.241) 8.883 18.319 ( 8.607 0.612 3.303) 9.239 18.585 ( -8.240 0.025 10.383) 13.256 18.726 ( 0.802 0.328 3.109) 3.227 20.500 ( 12.112 -1.072 11.560) 16.777 21.258 ( -11.950 -3.178 -23.345) 26.417 ======================= Grid point 309 (148/227) ======================= q-point: (-0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -1.920 4.328 0.888) 4.818 2.612 ( -8.027 1.393 16.760) 18.635 2.683 ( -18.393 6.031 -6.253) 20.342 2.913 ( -3.037 16.687 5.902) 17.958 2.977 ( -28.380 6.463 -16.300) 33.360 3.859 ( 9.110 -1.022 -10.245) 13.748 4.245 ( 0.744 -9.566 6.199) 11.423 4.551 ( -4.653 15.049 6.871) 17.185 4.809 ( 2.997 4.449 -17.843) 18.632 4.901 ( 19.763 -10.169 21.920) 31.216 5.218 ( 1.614 0.154 3.250) 3.632 5.485 ( 0.429 -0.353 -2.928) 2.980 5.538 ( -5.986 6.771 5.274) 10.464 6.007 ( 9.856 -11.628 -7.931) 17.183 6.891 ( 4.741 3.027 2.508) 6.159 6.948 ( 0.869 8.924 7.002) 11.377 7.109 ( -2.005 -2.444 2.170) 3.834 7.345 ( -2.643 -7.042 -3.606) 8.341 7.721 ( -4.739 -5.368 10.101) 12.381 8.098 ( -6.057 -2.142 19.065) 20.118 8.145 ( 4.903 -3.847 -11.371) 12.967 8.670 ( 6.437 1.760 -11.480) 13.279 8.954 ( 0.866 0.109 -2.234) 2.398 9.092 ( -2.298 -4.194 4.957) 6.888 9.247 ( -1.638 -2.646 -3.016) 4.334 9.525 ( 9.136 1.936 -16.974) 19.374 11.410 ( -13.166 -4.288 19.068) 23.565 11.796 ( -22.728 -5.835 13.091) 26.870 11.953 ( -2.357 1.886 3.679) 4.759 12.059 ( -7.616 -6.493 11.121) 14.961 12.381 ( 15.570 8.468 -1.306) 17.772 12.586 ( -3.418 -5.559 5.488) 8.527 13.263 ( 8.511 -4.818 -4.382) 10.717 13.691 ( 10.724 -3.297 -23.757) 26.273 14.508 ( -7.108 6.558 -5.616) 11.184 15.042 ( 12.780 -2.246 -11.879) 17.592 17.822 ( -7.770 8.620 5.534) 12.857 18.386 ( 8.175 5.677 2.236) 10.201 18.593 ( -2.611 -1.225 9.264) 9.702 18.788 ( 14.559 4.180 4.748) 15.875 20.687 ( 4.234 -1.435 8.257) 9.389 21.021 ( -15.833 -3.783 -22.119) 27.463 ======================= Grid point 310 (149/227) ======================= q-point: (-0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -42.178 7.367 -10.119) 43.996 2.121 ( -11.208 10.031 -6.596) 16.424 2.463 ( -10.853 14.852 12.317) 22.138 2.681 ( -10.194 5.942 2.768) 12.120 2.737 ( -10.766 2.869 22.914) 25.479 3.855 ( 5.661 3.035 -17.420) 18.566 4.227 ( -9.641 17.465 17.580) 26.590 4.424 ( 5.858 -4.924 -8.837) 11.690 4.735 ( 7.642 2.260 -18.011) 19.695 5.197 ( -5.683 -1.677 14.381) 15.554 5.369 ( 12.282 -4.765 0.851) 13.201 5.382 ( -6.778 8.681 14.141) 17.924 5.517 ( 2.774 -5.555 -3.780) 7.269 6.284 ( 11.953 -10.917 -13.236) 20.910 6.827 ( 3.690 14.275 7.384) 16.490 6.944 ( 11.808 4.541 3.704) 13.182 7.147 ( 4.646 -0.295 -3.439) 5.788 7.372 ( -4.527 -5.217 -6.159) 9.254 7.856 ( -6.280 -12.402 12.764) 18.873 8.140 ( -8.715 -1.656 19.070) 21.032 8.275 ( 4.041 -13.384 -7.965) 16.091 8.647 ( 7.540 0.490 -16.796) 18.417 8.972 ( 4.827 1.348 1.839) 5.338 9.177 ( -3.223 -3.779 8.954) 10.240 9.265 ( -0.281 -2.538 -2.362) 3.478 9.521 ( 8.242 0.477 -14.252) 16.470 11.332 ( -12.796 1.728 3.254) 13.316 11.713 ( -17.067 -1.871 11.415) 20.618 11.901 ( -5.093 1.873 1.435) 5.613 12.213 ( -10.953 -18.539 21.118) 30.160 12.389 ( 11.958 8.871 -3.793) 15.365 12.712 ( -4.446 -11.845 5.729) 13.889 13.397 ( 3.468 -2.523 3.391) 5.467 13.749 ( 11.436 -6.947 -30.726) 33.513 14.347 ( -1.678 3.610 -2.929) 4.943 15.206 ( 10.502 -7.860 -5.732) 14.316 17.585 ( -4.472 14.977 4.401) 16.238 18.365 ( 4.418 7.774 2.797) 9.369 18.625 ( -1.892 -0.942 5.971) 6.334 18.982 ( 32.409 10.023 4.228) 34.186 20.518 ( -27.984 -1.252 -23.463) 36.541 20.960 ( 1.386 -1.453 9.242) 9.457 ======================= Grid point 311 (150/227) ======================= q-point: (-0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -19.115 8.479 8.621) 22.618 1.906 ( -0.870 11.248 2.341) 11.522 2.227 ( -13.187 8.164 24.262) 28.795 2.453 ( -11.810 6.397 1.953) 13.572 2.751 ( -10.170 -1.397 23.259) 25.423 3.716 ( 0.722 6.007 -19.664) 20.574 3.932 ( -11.044 18.141 25.484) 33.174 4.492 ( 6.172 -2.897 -16.033) 17.423 4.676 ( 4.824 2.901 -17.145) 18.045 5.227 ( -5.940 -3.210 10.942) 12.857 5.274 ( -7.415 5.351 18.822) 20.926 5.423 ( -3.196 -0.900 -9.684) 10.237 5.666 ( 0.261 -11.485 -6.429) 13.165 6.408 ( 6.162 -4.290 -22.340) 23.568 6.631 ( 0.451 17.637 3.131) 17.918 6.919 ( 11.811 13.258 -17.393) 24.855 7.287 ( 13.913 -1.461 9.944) 17.164 7.386 ( -1.902 -5.099 -1.955) 5.783 8.116 ( -8.514 -19.124 21.154) 29.761 8.164 ( -9.422 -1.191 20.521) 22.612 8.518 ( 5.981 -11.244 -9.263) 15.748 8.725 ( 12.002 -8.645 -11.240) 18.577 9.036 ( 5.721 -0.306 3.507) 6.717 9.195 ( -5.321 2.300 11.576) 12.946 9.294 ( 1.126 -2.367 -3.624) 4.473 9.549 ( 7.733 -1.270 -12.439) 14.702 11.175 ( -9.973 1.918 3.812) 10.848 11.545 ( -10.318 10.037 8.851) 16.898 11.801 ( -1.925 2.640 -6.049) 6.875 12.322 ( 3.964 7.256 -7.201) 10.964 12.606 ( -9.747 -28.334 19.948) 35.997 12.906 ( -3.571 -14.711 4.065) 15.675 13.436 ( -3.424 0.102 4.913) 5.989 13.835 ( 2.899 -9.112 -20.729) 22.828 14.366 ( 15.878 -0.771 -7.142) 17.427 15.485 ( 2.481 -21.077 -2.873) 21.416 17.312 ( -1.181 17.473 3.527) 17.865 18.226 ( 2.484 18.038 -4.033) 18.649 18.653 ( -0.178 -1.041 3.822) 3.966 19.111 ( 12.527 13.066 -13.414) 22.529 20.134 ( -6.542 2.063 -1.819) 7.097 21.034 ( -4.203 -1.336 11.896) 12.687 ======================= Grid point 312 (151/227) ======================= q-point: (-0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 42.906 3.820 35.060) 55.540 1.787 ( 2.188 6.930 6.671) 9.865 2.165 ( -11.791 -0.252 25.829) 28.394 2.256 ( -9.908 4.381 5.614) 12.202 2.774 ( -11.007 -1.311 20.947) 23.699 3.499 ( -6.913 7.713 -1.670) 10.491 3.709 ( -8.210 10.110 18.588) 22.696 4.487 ( 0.141 -1.597 -16.697) 16.773 4.563 ( 2.851 3.051 -20.862) 21.275 5.167 ( -9.865 1.234 -20.638) 22.908 5.239 ( -9.148 2.125 22.693) 24.560 5.364 ( -10.202 -8.332 10.224) 16.675 5.807 ( -0.155 -9.246 -9.617) 13.342 6.290 ( -4.521 9.075 -7.009) 12.326 6.450 ( 7.063 2.320 -14.889) 16.642 6.699 ( 16.212 16.588 -28.828) 37.001 7.457 ( 2.896 -3.700 2.802) 5.471 7.488 ( 3.081 -1.753 8.404) 9.121 8.175 ( -10.353 -0.870 19.524) 22.116 8.452 ( -7.859 -17.104 26.544) 32.541 8.659 ( 12.213 -2.744 -12.608) 17.767 8.950 ( 5.608 -3.995 2.637) 7.374 9.095 ( -8.101 5.519 16.854) 19.497 9.238 ( 11.290 -9.755 -6.383) 16.228 9.314 ( 0.559 -1.976 -4.784) 5.206 9.590 ( 7.734 -0.436 -12.119) 14.383 11.117 ( -2.388 1.350 8.983) 9.392 11.291 ( -8.102 11.816 9.103) 16.975 11.736 ( 3.530 1.589 -8.493) 9.334 12.179 ( -4.793 3.780 -10.407) 12.065 12.953 ( -7.361 -14.868 9.619) 19.177 13.131 ( 3.223 -10.070 -1.601) 10.694 13.406 ( -9.994 -4.528 6.697) 12.854 13.848 ( -5.993 -4.546 -7.191) 10.406 14.669 ( 33.062 -5.849 -8.779) 34.704 15.860 ( -16.241 -36.613 -11.794) 41.754 17.066 ( 0.272 13.655 2.033) 13.808 17.616 ( -13.969 42.458 -19.096) 48.605 18.688 ( -3.378 -1.854 3.670) 5.322 18.785 ( -15.788 4.691 -1.023) 16.502 20.459 ( 48.671 -0.005 9.630) 49.614 21.012 ( -12.914 -0.619 9.810) 16.229 ======================= Grid point 314 (152/227) ======================= q-point: ( 0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 1.159 0.000 -7.567) 7.655 2.030 ( -8.986 -0.000 -8.977) 12.702 2.263 ( -1.621 -0.000 -8.052) 8.214 2.483 ( -4.378 -0.000 34.683) 34.958 3.200 ( 6.717 0.000 -7.389) 9.986 3.505 ( 17.430 0.000 -3.769) 17.833 3.598 ( -19.078 -0.000 15.946) 24.864 3.830 ( -1.488 -0.000 23.463) 23.510 4.736 ( 12.816 0.000 7.011) 14.608 4.781 ( 8.621 0.000 -20.715) 22.438 5.212 ( -9.263 -0.000 19.121) 21.247 5.490 ( 2.443 0.000 20.554) 20.699 5.688 ( -0.392 -0.000 -3.806) 3.826 6.148 ( -0.901 -0.000 -1.246) 1.537 6.424 ( 14.244 0.000 -30.337) 33.514 6.678 ( 14.821 0.000 -24.095) 28.289 7.385 ( -5.864 -0.000 3.599) 6.881 7.723 ( 2.272 0.000 5.329) 5.793 7.999 ( -18.871 -0.000 5.893) 19.770 8.645 ( -18.506 -0.000 21.165) 28.115 8.842 ( 4.909 0.000 -9.705) 10.877 8.980 ( -8.824 -0.000 16.568) 18.771 9.137 ( 0.051 0.000 5.739) 5.739 9.155 ( -0.968 -0.000 -11.488) 11.529 9.439 ( 2.452 0.000 -10.685) 10.963 9.633 ( 6.334 0.000 -13.635) 15.035 10.836 ( -15.773 -0.000 13.908) 21.029 11.599 ( 10.885 0.000 -3.520) 11.440 11.754 ( 2.187 0.000 -3.759) 4.349 11.906 ( 5.615 0.000 3.171) 6.448 12.676 ( -34.969 -0.000 25.379) 43.208 13.017 ( -2.234 -0.000 5.937) 6.343 13.592 ( 10.143 0.000 2.704) 10.497 13.668 ( -0.279 -0.000 -5.038) 5.046 14.935 ( -4.839 -0.000 -23.028) 23.531 16.003 ( 22.735 0.000 8.991) 24.448 16.935 ( -0.034 -0.000 0.416) 0.418 17.060 ( 5.447 0.000 2.171) 5.864 18.449 ( -10.385 -0.000 12.538) 16.281 18.829 ( 0.558 0.000 5.352) 5.381 20.323 ( -19.249 -0.000 -5.280) 19.959 21.731 ( 18.102 0.000 -23.025) 29.289 ======================= Grid point 315 (153/227) ======================= q-point: ( 0.20 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 6.089 2.137 -12.494) 14.062 2.002 ( 4.026 -3.687 -9.246) 10.738 2.410 ( 13.700 -2.066 5.429) 14.881 2.632 ( -2.390 -2.882 30.517) 30.746 3.259 ( 10.492 -3.385 -17.493) 20.677 3.554 ( -11.672 -2.465 23.448) 26.308 3.678 ( 11.582 -3.756 -6.553) 13.827 3.913 ( -6.175 -3.065 14.658) 16.198 4.736 ( 4.341 1.871 -7.921) 9.224 4.933 ( 2.288 -5.554 5.319) 8.023 5.252 ( -5.490 -3.222 15.615) 16.862 5.550 ( 2.868 6.991 13.732) 15.674 5.806 ( 8.254 -6.539 1.934) 10.707 6.030 ( 1.379 8.014 -6.354) 10.320 6.476 ( 11.251 -4.011 -21.275) 24.399 6.839 ( 10.638 -14.700 -23.073) 29.353 7.341 ( -1.243 3.225 5.552) 6.540 7.616 ( -23.020 3.199 -18.829) 29.912 7.814 ( -12.620 -0.004 21.894) 25.270 8.392 ( -14.499 15.655 20.388) 29.513 8.832 ( 2.262 1.121 -8.280) 8.657 8.962 ( -8.322 1.190 6.703) 10.752 9.121 ( -4.176 -2.950 -4.267) 6.660 9.171 ( -0.105 -0.911 1.950) 2.155 9.247 ( 3.697 16.189 -8.046) 18.452 9.638 ( 4.767 -0.545 -11.569) 12.525 10.861 ( -12.355 -11.336 15.734) 22.994 11.708 ( 9.030 -2.940 -5.652) 11.051 11.852 ( 10.874 -1.078 4.570) 11.844 11.972 ( -1.809 -2.847 4.176) 5.368 12.434 ( -25.863 3.407 28.919) 38.946 12.977 ( -1.622 6.544 6.228) 9.179 13.552 ( 11.668 16.446 -4.542) 20.670 13.660 ( 4.121 3.259 -1.766) 5.542 14.836 ( 7.678 -0.140 -21.114) 22.467 15.965 ( 4.851 21.235 -3.859) 22.121 17.083 ( -0.245 -16.897 0.604) 16.910 17.379 ( 0.678 -24.358 7.860) 25.603 18.422 ( -9.680 -3.013 11.975) 15.691 18.842 ( -2.025 1.616 6.491) 6.989 20.167 ( -2.768 -0.667 -2.958) 4.105 21.697 ( 3.040 2.773 -23.710) 24.064 ======================= Grid point 316 (154/227) ======================= q-point: ( 0.30 0.10 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 12.372 -0.495 4.184) 13.069 2.174 ( 26.910 -3.288 -3.226) 27.302 2.611 ( 9.653 -1.619 6.934) 11.995 2.870 ( 2.346 -9.763 19.001) 21.491 3.350 ( 11.465 -3.916 -16.972) 20.852 3.660 ( -0.505 -4.952 21.544) 22.111 3.746 ( 7.830 -0.608 -24.331) 25.567 3.964 ( -9.434 -2.433 18.387) 20.809 4.760 ( 0.693 -4.620 -0.932) 4.764 5.024 ( -2.314 -2.505 5.979) 6.883 5.329 ( -4.370 -4.633 9.361) 11.322 5.506 ( -2.113 6.381 8.686) 10.983 5.913 ( 1.889 4.209 -3.141) 5.581 5.981 ( 3.112 -3.084 -6.021) 7.446 6.578 ( 6.056 -7.034 -10.486) 14.004 7.010 ( -9.400 -6.909 -15.808) 19.646 7.144 ( -20.450 -4.797 -16.466) 26.690 7.330 ( 4.639 3.844 5.743) 8.323 7.841 ( -4.918 0.223 21.242) 21.805 8.111 ( -8.252 15.443 17.022) 24.419 8.703 ( 0.080 22.384 -6.459) 23.297 8.786 ( 0.583 1.804 -8.153) 8.370 9.013 ( -3.392 3.641 2.219) 5.449 9.157 ( -3.952 -2.970 -0.710) 4.995 9.196 ( -0.806 -1.163 -2.646) 3.001 9.635 ( 4.952 0.175 -11.448) 12.475 11.009 ( -11.020 -10.884 19.479) 24.887 11.831 ( 3.794 -4.786 -2.269) 6.515 11.947 ( -5.464 -2.581 1.544) 6.237 12.068 ( -1.624 -2.609 20.844) 21.070 12.323 ( 2.542 6.415 15.205) 16.697 12.851 ( -1.466 10.582 6.134) 12.319 13.358 ( 13.392 19.816 -9.403) 25.699 13.649 ( 5.168 3.032 -2.213) 6.387 14.856 ( 12.350 -0.327 -18.680) 22.396 15.572 ( -4.501 18.856 -16.318) 25.339 17.407 ( 1.673 -20.831 1.005) 20.923 17.759 ( -8.027 -22.347 7.749) 24.977 18.445 ( -9.909 -5.749 11.129) 15.972 18.803 ( -3.328 2.641 4.799) 6.410 20.255 ( 12.437 -0.780 6.951) 14.269 21.495 ( -7.790 2.647 -22.378) 23.843 ======================= Grid point 317 (155/227) ======================= q-point: ( 0.40 0.10 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 5.335 -3.310 5.358) 8.254 2.559 ( 21.953 -0.501 8.084) 23.399 2.745 ( 5.179 -1.091 2.886) 6.028 3.154 ( 6.692 -9.233 6.081) 12.923 3.493 ( 11.412 -6.699 -8.160) 15.547 3.595 ( -7.068 1.767 -30.425) 31.285 3.882 ( -2.415 1.105 15.212) 15.442 4.038 ( 10.582 -7.851 20.683) 24.524 4.849 ( 0.022 -4.268 0.073) 4.269 5.037 ( -3.216 0.274 4.606) 5.625 5.372 ( -0.579 -0.214 -4.374) 4.417 5.433 ( -6.286 1.262 12.432) 13.988 5.727 ( -11.487 5.449 -13.516) 18.556 5.990 ( 0.937 0.140 -3.868) 3.982 6.723 ( -1.084 -11.684 -0.451) 11.742 6.799 ( -12.569 -4.794 -2.270) 13.642 7.147 ( 0.945 -1.763 -4.713) 5.120 7.368 ( 4.728 3.030 1.312) 5.766 7.869 ( -5.161 7.364 14.795) 17.314 7.946 ( -4.216 2.153 18.297) 18.899 8.327 ( 3.323 18.622 -8.847) 20.883 8.742 ( 2.212 1.290 -5.766) 6.309 8.947 ( -2.928 1.519 -0.115) 3.301 9.133 ( -3.781 -0.843 -4.849) 6.206 9.181 ( -2.485 -1.141 -0.389) 2.762 9.621 ( 6.172 1.109 -13.764) 15.125 11.138 ( -13.256 -7.471 26.020) 30.142 11.833 ( -18.037 -5.340 3.033) 19.054 11.966 ( 2.301 -1.558 0.582) 2.839 12.098 ( -12.402 2.390 26.880) 29.700 12.472 ( 27.832 6.930 1.646) 28.729 12.699 ( -1.473 9.369 4.852) 10.653 13.180 ( 12.356 11.935 -14.293) 22.347 13.661 ( 6.515 2.290 -3.020) 7.537 14.911 ( 12.897 0.661 -15.885) 20.472 15.142 ( -8.095 12.052 -21.666) 26.081 17.730 ( -1.283 -14.766 4.585) 15.514 18.036 ( 0.293 -17.983 2.167) 18.115 18.477 ( -10.666 -5.603 10.325) 15.867 18.757 ( -1.303 1.902 3.498) 4.190 20.487 ( 14.787 0.174 13.848) 20.259 21.218 ( -14.989 0.634 -21.087) 25.879 ======================= Grid point 318 (156/227) ======================= q-point: (-0.50 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 4.750 -1.401 3.860) 6.279 2.674 ( -5.427 2.329 12.848) 14.140 2.776 ( -5.727 1.281 -3.696) 6.936 3.163 ( -24.840 4.856 -24.871) 35.485 3.314 ( 7.954 3.386 -5.866) 10.447 3.718 ( 8.937 -8.814 -5.843) 13.845 3.912 ( -5.527 -5.963 17.381) 19.189 4.564 ( 29.119 -7.809 20.847) 36.654 4.866 ( -0.870 1.324 1.737) 2.351 4.967 ( -3.185 3.465 -7.674) 9.002 5.285 ( -1.605 2.690 -1.670) 3.550 5.466 ( -1.673 -3.287 4.659) 5.943 5.522 ( -0.734 1.941 -10.760) 10.959 5.960 ( 2.452 3.710 -0.743) 4.509 6.794 ( -4.871 -5.289 1.328) 7.312 6.913 ( -3.122 -12.493 4.510) 13.644 7.155 ( 1.210 0.420 1.074) 1.671 7.313 ( 1.228 8.412 2.935) 8.994 7.752 ( -4.602 6.158 10.170) 12.748 8.018 ( -5.544 -2.329 19.399) 20.310 8.144 ( 5.583 4.914 -10.817) 13.127 8.727 ( 4.333 1.303 -8.706) 9.811 8.902 ( -2.582 -0.330 0.730) 2.703 9.061 ( -3.222 0.307 -4.900) 5.872 9.180 ( -1.776 -1.501 1.209) 2.621 9.595 ( 7.840 1.862 -16.933) 18.753 11.224 ( -15.838 -5.542 30.704) 34.990 11.682 ( -24.184 -4.512 4.416) 24.994 11.990 ( -1.698 2.181 8.919) 9.338 12.056 ( -4.437 3.862 12.951) 14.224 12.584 ( -1.532 5.048 5.027) 7.287 12.665 ( 23.809 8.526 -1.446) 25.331 13.134 ( 11.842 0.639 -17.659) 21.272 13.686 ( 7.098 1.971 -5.156) 8.992 14.749 ( -7.952 8.485 -17.809) 21.269 15.000 ( 12.036 -0.757 -15.398) 19.559 17.862 ( -7.190 -5.907 5.968) 11.055 18.374 ( 13.270 -10.688 -1.444) 17.100 18.487 ( -9.449 -3.792 9.947) 14.234 18.783 ( 5.139 -2.040 4.137) 6.905 20.683 ( 5.498 1.102 9.551) 11.076 20.931 ( -15.462 -1.451 -14.803) 21.455 ======================= Grid point 319 (157/227) ======================= q-point: (-0.40 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -24.171 7.270 -9.793) 27.074 2.388 ( -10.269 6.110 -8.953) 14.931 2.648 ( -10.501 0.856 16.836) 19.861 2.851 ( -6.864 5.434 -4.052) 9.647 3.186 ( -0.596 15.472 2.734) 15.723 3.861 ( 5.719 -3.737 -10.980) 12.932 4.123 ( -1.089 -11.877 13.474) 17.994 4.741 ( -3.952 10.076 4.412) 11.688 4.833 ( 6.474 4.191 -17.203) 18.852 5.069 ( 12.353 -5.034 12.379) 18.198 5.264 ( 1.481 0.772 2.680) 3.158 5.477 ( 3.635 0.363 -8.175) 8.954 5.542 ( 0.016 -3.996 2.290) 4.605 5.974 ( 6.383 -0.956 0.952) 6.524 6.859 ( -2.109 -6.928 3.134) 7.891 7.043 ( -0.585 -3.638 2.886) 4.680 7.170 ( 2.283 3.346 4.934) 6.384 7.237 ( -1.059 0.099 -0.488) 1.170 7.695 ( -4.516 1.126 10.364) 11.361 8.079 ( -6.716 -2.196 16.264) 17.733 8.123 ( 4.712 0.114 -8.847) 10.025 8.685 ( 4.664 1.481 -16.655) 17.359 8.926 ( -0.940 -3.274 4.702) 5.806 9.037 ( -0.971 -2.656 0.239) 2.838 9.196 ( -1.149 -1.405 1.576) 2.404 9.567 ( 8.915 1.756 -18.289) 20.421 11.275 ( -16.068 -4.430 23.585) 28.880 11.518 ( -21.827 -3.953 16.616) 27.715 11.975 ( -2.943 1.214 4.586) 5.582 12.010 ( -3.781 2.921 10.354) 11.403 12.543 ( -1.653 0.894 4.421) 4.804 12.725 ( 15.043 10.440 -4.701) 18.905 13.222 ( 10.851 -5.933 -16.752) 20.823 13.697 ( 7.045 1.996 -10.052) 12.436 14.482 ( -4.899 4.757 -12.366) 14.126 15.078 ( 10.223 -1.854 -12.194) 16.020 17.851 ( -5.674 1.269 5.574) 8.054 18.471 ( -4.254 0.356 8.532) 9.541 18.568 ( 0.936 -3.112 1.514) 3.585 19.053 ( 24.525 -6.438 -0.627) 25.364 20.507 ( -20.520 0.815 -15.770) 25.893 20.917 ( 1.614 -0.792 11.632) 11.770 ======================= Grid point 320 (158/227) ======================= q-point: (-0.30 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -11.633 11.754 0.422) 16.543 2.258 ( 3.006 9.121 -1.645) 9.743 2.553 ( -10.449 7.016 5.563) 13.761 2.717 ( -5.803 2.533 11.491) 13.120 2.898 ( -6.873 18.946 13.685) 24.362 3.850 ( 2.645 1.414 -17.531) 17.786 4.326 ( -1.166 -5.373 7.465) 9.271 4.513 ( -1.421 13.367 2.480) 13.670 4.772 ( 7.949 3.606 -16.974) 19.087 5.158 ( -9.488 -1.568 11.872) 15.279 5.319 ( -0.483 -3.260 -3.302) 4.665 5.470 ( 2.025 1.718 -5.941) 6.508 5.564 ( 0.793 3.700 4.979) 6.254 6.126 ( 2.645 -10.594 -7.656) 13.335 6.998 ( 1.188 -7.892 3.302) 8.637 7.067 ( -1.411 4.032 4.339) 6.089 7.148 ( 2.803 2.629 3.522) 5.213 7.277 ( 0.560 -5.332 -1.713) 5.628 7.725 ( -3.506 -4.598 8.744) 10.483 8.126 ( -7.913 -2.019 19.631) 21.262 8.140 ( 5.049 -3.450 -11.315) 12.861 8.656 ( 10.192 -0.156 -17.752) 20.470 9.013 ( -0.019 -4.155 5.580) 6.957 9.111 ( -0.179 -4.475 4.591) 6.414 9.210 ( -1.624 -2.184 -0.125) 2.725 9.552 ( 8.569 1.021 -16.352) 18.489 11.228 ( -9.160 0.895 10.556) 14.005 11.546 ( -14.527 -8.207 28.598) 33.109 11.908 ( -3.711 3.621 1.097) 5.300 12.027 ( -6.234 -4.599 12.376) 14.601 12.563 ( -0.092 -1.419 2.507) 2.882 12.638 ( 3.279 8.445 -6.354) 11.065 13.351 ( 5.038 -6.305 -10.128) 12.951 13.679 ( 6.975 0.737 -17.271) 18.641 14.376 ( 3.953 1.007 -6.141) 7.372 15.157 ( 5.755 -4.180 -10.713) 12.860 17.759 ( -2.460 8.271 6.038) 10.531 18.457 ( -2.953 1.968 7.760) 8.533 18.606 ( -1.781 -1.881 3.047) 4.000 19.352 ( 13.433 -1.536 -19.397) 23.645 20.226 ( -3.253 3.667 -1.356) 5.086 20.985 ( -4.072 -1.344 10.972) 11.780 ======================= Grid point 321 (159/227) ======================= q-point: (-0.20 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 39.326 8.942 25.739) 47.843 2.131 ( 4.609 11.990 1.207) 12.902 2.316 ( -11.125 7.806 4.394) 14.283 2.572 ( -5.670 17.402 15.988) 24.302 2.742 ( -9.196 0.166 18.833) 20.959 3.702 ( 1.019 5.184 -23.112) 23.708 4.205 ( -9.080 14.531 15.742) 23.268 4.454 ( 2.769 0.226 -7.236) 7.752 4.693 ( 4.528 4.970 -16.880) 18.170 5.138 ( -16.494 -5.845 11.868) 21.144 5.226 ( -8.251 2.009 -12.370) 15.004 5.395 ( -5.662 5.167 10.831) 13.269 5.562 ( 4.539 -0.850 -3.272) 5.659 6.237 ( 2.357 -9.139 -20.216) 22.310 6.873 ( -7.093 14.452 3.829) 16.547 7.088 ( 6.442 2.947 -6.792) 9.814 7.255 ( 3.184 -7.605 3.179) 8.836 7.389 ( 1.336 -5.854 1.360) 6.156 7.861 ( -5.273 -11.869 12.685) 18.155 8.161 ( -7.383 -1.751 18.642) 20.128 8.292 ( 4.327 -14.858 -6.970) 16.972 8.746 ( 15.621 -2.843 -14.750) 21.672 9.090 ( -0.269 -1.583 5.075) 5.323 9.171 ( -5.000 -3.001 5.731) 8.176 9.250 ( 1.575 -2.994 -1.211) 3.593 9.560 ( 7.856 -0.361 -13.288) 15.441 11.216 ( 3.468 3.981 12.634) 13.693 11.622 ( -6.443 2.428 14.624) 16.163 11.802 ( -3.548 2.623 -1.330) 4.608 12.187 ( -10.530 -16.749 18.725) 27.240 12.422 ( -3.333 6.977 -8.751) 11.677 12.694 ( -2.046 -10.225 5.569) 11.821 13.378 ( -6.242 -1.320 -1.923) 6.664 13.675 ( 5.146 -3.541 -17.923) 18.980 14.494 ( 17.935 -3.999 -4.979) 19.038 15.224 ( -0.705 -8.020 -11.820) 14.301 17.601 ( 0.684 14.809 7.313) 16.531 18.383 ( -4.108 8.085 -1.310) 9.163 18.627 ( -3.979 -2.085 4.121) 6.097 19.056 ( -21.015 9.171 -22.650) 32.230 20.463 ( 37.878 0.202 8.142) 38.743 20.973 ( -11.007 -1.629 7.784) 13.579 ======================= Grid point 322 (160/227) ======================= q-point: (-0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 4.203 10.739 5.108) 12.613 2.138 ( -4.583 4.206 2.433) 6.680 2.363 ( 21.548 7.606 24.291) 33.350 2.388 ( 24.928 7.140 30.893) 40.333 2.718 ( -11.306 -0.454 11.265) 15.967 3.499 ( 1.495 5.468 -23.184) 23.867 3.949 ( -11.052 15.266 24.203) 30.675 4.310 ( -20.832 3.405 -10.601) 23.621 4.561 ( 7.189 4.079 -16.738) 18.668 4.947 ( -7.608 0.229 -18.971) 20.442 5.215 ( -7.200 -5.372 14.708) 17.235 5.320 ( -7.171 5.255 19.738) 21.648 5.657 ( 5.858 -7.011 -9.569) 13.230 6.241 ( 0.948 -1.313 -20.814) 20.877 6.575 ( -3.089 13.047 -0.146) 13.409 6.986 ( 11.991 13.565 -18.802) 26.102 7.420 ( -2.802 -6.137 4.739) 8.245 7.479 ( 3.600 -4.217 1.108) 5.655 8.078 ( -9.733 -10.638 16.634) 22.014 8.248 ( -7.566 -10.601 21.318) 24.982 8.583 ( 6.616 -15.341 -6.912) 18.080 8.926 ( 11.492 -8.285 -10.090) 17.393 9.121 ( -3.101 -1.181 6.385) 7.196 9.175 ( -4.764 -2.229 4.179) 6.718 9.283 ( 1.696 0.517 -2.442) 3.018 9.600 ( 7.655 -1.406 -11.549) 13.927 11.282 ( 5.966 7.352 11.701) 15.052 11.462 ( -3.666 11.536 8.521) 14.802 11.772 ( 3.550 0.810 -3.353) 4.950 12.107 ( -9.023 5.787 -12.675) 16.600 12.606 ( -11.089 -24.074 20.341) 33.411 12.928 ( 0.248 -17.523 6.261) 18.609 13.249 ( -14.985 1.356 1.870) 15.162 13.695 ( 0.015 -4.116 -10.021) 10.834 14.853 ( 26.225 -11.042 -3.618) 28.683 15.262 ( -6.243 -11.410 -16.454) 20.974 17.387 ( 2.566 19.659 8.177) 21.445 17.895 ( -16.134 29.071 -18.961) 38.274 18.589 ( -11.239 0.208 10.201) 15.179 18.767 ( -2.064 1.487 1.164) 2.798 20.822 ( -15.513 -1.765 5.831) 16.667 21.035 ( 40.822 -3.014 -4.673) 41.199 ======================= Grid point 325 (161/227) ======================= q-point: ( 0.20 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 6.468 0.000 -5.634) 8.578 2.085 ( 34.992 0.000 0.810) 35.001 2.599 ( 14.830 0.000 6.792) 16.312 2.753 ( -1.603 -0.000 29.580) 29.623 3.274 ( 12.924 0.000 -16.538) 20.989 3.576 ( -3.362 -0.000 25.966) 26.183 3.702 ( 6.656 0.000 -11.641) 13.409 3.884 ( -10.300 -0.000 19.763) 22.286 4.789 ( 10.473 0.000 -19.709) 22.318 4.842 ( -12.798 -0.000 15.380) 20.008 5.260 ( -5.362 -0.000 17.194) 18.011 5.648 ( 0.054 0.000 -3.783) 3.783 5.870 ( 3.725 0.000 13.702) 14.199 6.149 ( 2.460 0.000 -2.054) 3.205 6.439 ( 16.591 0.000 -32.983) 36.921 6.693 ( 8.867 0.000 -23.505) 25.122 7.112 ( -41.680 -0.000 -18.582) 45.635 7.414 ( 2.835 0.000 8.187) 8.664 7.847 ( -5.183 -0.000 19.284) 19.969 8.478 ( -13.604 -0.000 20.916) 24.951 8.777 ( -2.852 -0.000 -5.404) 6.110 8.903 ( -6.968 -0.000 3.674) 7.877 9.044 ( -1.297 -0.000 -4.986) 5.152 9.149 ( -3.665 -0.000 4.011) 5.434 9.430 ( 6.507 0.000 -9.221) 11.286 9.622 ( 4.948 0.000 -11.715) 12.717 10.733 ( -10.432 -0.000 22.078) 24.418 11.736 ( 6.445 0.000 -7.176) 9.645 11.892 ( -8.485 -0.000 -1.211) 8.571 12.010 ( -2.518 -0.000 27.110) 27.226 12.423 ( 3.729 0.000 13.480) 13.986 13.056 ( -0.552 -0.000 6.338) 6.362 13.667 ( 4.238 0.000 -3.248) 5.340 13.884 ( 14.821 0.000 -5.216) 15.712 14.850 ( 13.631 0.000 -17.995) 22.575 16.075 ( -16.471 -0.000 -8.542) 18.554 16.951 ( 0.876 0.000 0.756) 1.157 17.155 ( -0.806 -0.000 0.603) 1.006 18.353 ( -9.025 -0.000 12.322) 15.274 18.849 ( -4.026 -0.000 4.499) 6.037 20.243 ( 13.703 0.000 7.536) 15.639 21.550 ( -8.941 -0.000 -24.041) 25.650 ======================= Grid point 326 (162/227) ======================= q-point: ( 0.30 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 7.822 -0.036 -1.161) 7.908 2.503 ( 23.186 -2.080 8.931) 24.933 2.756 ( 3.785 1.287 14.333) 14.880 2.936 ( 7.199 -1.742 19.098) 20.484 3.367 ( 15.428 -2.368 -17.678) 23.583 3.626 ( -2.324 0.164 -31.288) 31.375 3.811 ( 18.895 -3.055 24.723) 31.267 3.924 ( -11.948 -3.263 28.151) 30.755 4.707 ( -5.129 0.570 3.908) 6.473 4.918 ( 0.091 -8.262 -4.043) 9.199 5.288 ( -6.426 -0.807 15.856) 17.128 5.587 ( -3.371 4.426 0.528) 5.588 5.898 ( -10.954 -3.343 -3.335) 11.928 5.996 ( -0.879 11.672 -10.870) 15.974 6.513 ( 11.908 -3.751 -21.932) 25.236 6.674 ( -17.168 -2.520 -5.189) 18.111 6.789 ( 6.202 -14.255 -24.226) 28.785 7.481 ( 3.993 2.914 9.285) 10.519 7.893 ( -5.230 -0.277 19.978) 20.653 8.332 ( -10.405 12.273 19.143) 25.007 8.728 ( -4.229 -1.700 -3.849) 5.965 8.821 ( -1.759 3.811 -9.690) 10.560 9.014 ( -6.620 -0.899 7.337) 9.923 9.134 ( -4.443 -1.869 1.123) 4.949 9.303 ( 7.299 16.123 -8.477) 19.624 9.625 ( 4.011 -0.565 -9.821) 10.624 10.836 ( -9.350 -9.851 22.994) 26.706 11.707 ( -16.005 -2.171 1.936) 16.267 11.846 ( 6.054 -3.450 -11.513) 13.457 12.065 ( -18.648 -1.945 39.219) 43.470 12.649 ( 28.429 3.126 0.994) 28.618 13.025 ( -0.819 7.276 7.080) 10.186 13.674 ( 7.583 6.168 -5.102) 11.026 13.874 ( 12.933 14.359 -6.579) 20.414 14.932 ( 15.946 1.328 -14.562) 21.636 15.608 ( -20.322 14.376 -21.864) 33.131 17.114 ( 1.281 -17.178 1.464) 17.287 17.334 ( -3.600 -20.901 0.072) 21.209 18.345 ( -7.209 -2.109 12.704) 14.758 18.812 ( -3.481 1.073 2.153) 4.232 20.499 ( 17.131 0.358 16.430) 23.740 21.264 ( -16.446 1.348 -21.797) 27.339 ======================= Grid point 327 (163/227) ======================= q-point: ( 0.40 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 7.791 -1.738 2.882) 8.487 2.708 ( -1.468 -0.771 11.766) 11.883 2.828 ( 4.065 2.300 3.613) 5.905 3.123 ( -3.491 -5.992 19.794) 20.973 3.288 ( -19.979 1.948 -33.704) 39.229 3.517 ( 17.237 -4.159 -17.332) 24.796 3.927 ( -8.492 2.453 16.442) 18.667 4.345 ( 35.107 -5.339 20.534) 41.020 4.750 ( -2.246 -6.292 5.607) 8.722 5.011 ( 3.160 -2.891 -4.617) 6.298 5.318 ( -4.021 -3.002 6.456) 8.177 5.432 ( -12.842 4.117 9.377) 16.425 5.651 ( -4.190 5.621 -13.894) 15.563 5.936 ( -0.408 -3.275 -1.853) 3.785 6.576 ( 3.662 -4.272 -6.325) 8.465 6.647 ( -0.135 -4.059 -4.012) 5.708 6.981 ( 5.978 -13.886 -19.820) 24.928 7.500 ( 1.496 4.465 7.035) 8.465 7.947 ( -5.917 -0.566 20.192) 21.049 8.106 ( -7.805 13.637 16.220) 22.582 8.604 ( 1.040 15.345 -10.785) 18.785 8.704 ( -2.707 -2.388 -2.139) 4.196 8.963 ( -2.570 3.998 -0.846) 4.827 9.093 ( -3.706 1.553 -3.008) 5.020 9.147 ( -0.146 2.569 0.835) 2.705 9.621 ( 4.115 -0.026 -10.801) 11.559 11.011 ( -10.789 -9.025 25.663) 29.265 11.544 ( -20.111 -3.325 3.098) 20.618 11.936 ( 5.362 -4.572 -7.771) 10.490 12.103 ( -14.927 -2.247 34.860) 37.988 12.887 ( 6.648 9.724 4.039) 12.453 12.912 ( 19.288 8.161 1.017) 20.968 13.518 ( 11.988 19.879 -14.862) 27.564 13.801 ( 7.820 6.403 0.120) 10.108 15.002 ( 13.867 1.694 -14.025) 19.795 15.059 ( -14.722 10.938 -27.627) 33.160 17.436 ( -3.925 -19.636 3.582) 20.342 17.710 ( 5.852 -26.685 -2.656) 27.447 18.381 ( -5.168 -2.440 12.750) 13.972 18.772 ( -2.105 0.654 1.748) 2.814 20.741 ( 9.626 2.057 15.565) 18.416 20.931 ( -17.466 0.997 -15.508) 23.378 ======================= Grid point 328 (164/227) ======================= q-point: ( 0.50 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 3.272 -0.710 -0.086) 3.350 2.578 ( -22.508 7.053 -16.496) 28.783 2.687 ( -11.385 1.546 12.719) 17.141 2.979 ( -0.660 2.309 -7.946) 8.300 3.316 ( -2.374 -8.552 10.177) 13.504 3.677 ( 12.291 -3.734 -14.272) 19.201 3.891 ( -6.205 0.041 16.927) 18.028 4.795 ( 1.842 -7.000 -3.464) 8.025 4.894 ( 13.880 -1.810 11.938) 18.397 5.011 ( 11.145 5.162 -9.403) 15.468 5.305 ( 0.054 1.476 2.126) 2.589 5.428 ( -1.671 -3.451 10.358) 11.045 5.531 ( 2.387 2.346 -6.252) 7.092 5.999 ( 1.057 -3.149 2.701) 4.282 6.672 ( -2.094 -5.349 1.794) 6.018 6.713 ( 0.475 -9.109 -1.576) 9.257 7.112 ( 2.085 -6.120 -9.653) 11.618 7.446 ( -2.425 4.763 1.922) 5.680 7.886 ( -5.532 10.535 12.684) 17.392 8.018 ( -7.236 -1.217 18.923) 20.296 8.314 ( 3.870 15.368 -8.651) 18.056 8.709 ( 0.686 -1.281 -7.809) 7.943 8.864 ( 0.271 0.189 -9.493) 9.499 9.024 ( -4.887 1.451 4.287) 6.661 9.145 ( -3.034 -2.029 2.454) 4.399 9.605 ( 5.372 0.475 -14.140) 15.133 11.132 ( -13.350 -5.391 28.783) 32.183 11.418 ( -14.620 -2.639 9.761) 17.776 12.007 ( 2.032 -2.356 -3.521) 4.699 12.143 ( -9.407 2.029 27.956) 29.566 12.727 ( -1.657 10.999 6.970) 13.126 13.032 ( 18.458 8.428 -6.240) 21.229 13.273 ( 10.747 13.478 -18.592) 25.354 13.806 ( 8.139 4.680 -2.439) 9.700 14.649 ( -8.757 5.900 -24.548) 26.723 15.053 ( 11.006 0.480 -13.990) 17.807 17.659 ( -5.821 -13.389 4.862) 15.388 18.206 ( 7.624 -23.028 -4.793) 24.727 18.439 ( -0.876 -2.252 9.503) 9.805 18.793 ( 1.887 -4.173 2.733) 5.333 20.573 ( -15.448 2.997 -12.273) 19.956 20.924 ( 2.450 1.121 15.236) 15.472 ======================= Grid point 329 (165/227) ======================= q-point: (-0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -6.454 10.294 -8.308) 14.719 2.440 ( 2.721 2.934 -0.364) 4.018 2.642 ( -7.380 -0.154 18.873) 20.265 2.871 ( -2.683 6.244 -4.462) 8.130 3.377 ( 0.575 4.935 0.712) 5.019 3.759 ( 0.897 -5.107 -6.118) 8.020 4.011 ( -1.871 -8.969 14.601) 17.237 4.800 ( -3.912 1.026 -0.480) 4.073 4.905 ( 9.578 4.643 -16.865) 19.943 5.135 ( 2.925 -1.476 1.729) 3.705 5.293 ( -1.279 1.660 3.330) 3.935 5.496 ( 2.926 -0.298 1.415) 3.264 5.537 ( 3.750 1.005 -3.456) 5.197 6.057 ( 1.904 1.501 2.711) 3.637 6.746 ( -1.248 -6.436 2.650) 7.071 6.902 ( -2.287 -12.547 5.125) 13.745 7.135 ( -3.512 -3.225 -2.781) 5.520 7.317 ( -4.264 5.849 -0.896) 7.293 7.751 ( -5.020 6.086 10.274) 12.954 8.057 ( -7.551 -1.801 17.564) 19.203 8.163 ( 5.271 4.640 -9.442) 11.767 8.663 ( 5.686 0.465 -17.528) 18.433 8.900 ( 1.568 -3.554 1.375) 4.120 8.988 ( -2.751 -0.650 3.985) 4.886 9.149 ( -5.155 -2.670 1.994) 6.138 9.581 ( 7.091 0.625 -17.662) 19.042 11.203 ( -10.055 -2.524 27.653) 29.532 11.408 ( -7.415 -0.887 21.882) 23.121 12.007 ( -0.708 2.245 -0.096) 2.356 12.104 ( -6.801 6.362 18.963) 21.127 12.606 ( -1.575 6.021 6.440) 8.956 12.980 ( 6.474 10.701 -10.884) 16.580 13.187 ( 9.483 -0.226 -17.760) 20.134 13.792 ( 8.943 5.396 -11.191) 15.308 14.418 ( -2.650 1.626 -13.626) 13.976 15.088 ( 7.672 -0.825 -14.378) 16.317 17.790 ( -3.603 -6.398 6.143) 9.573 18.427 ( -5.436 -5.455 10.722) 13.201 18.525 ( 1.609 -3.623 -4.669) 6.125 19.025 ( 6.194 -15.748 -8.993) 19.163 20.356 ( -1.251 4.324 -2.256) 5.035 20.971 ( -4.452 0.597 11.906) 12.725 ======================= Grid point 330 (166/227) ======================= q-point: (-0.30 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 31.022 8.596 12.797) 34.641 2.385 ( -0.956 4.964 5.159) 7.223 2.632 ( -1.782 10.240 1.396) 10.487 2.732 ( -5.096 0.123 9.309) 10.614 3.211 ( -0.087 16.541 4.919) 17.258 3.767 ( -0.495 -1.868 -14.809) 14.934 4.227 ( -4.356 -10.301 14.986) 18.700 4.671 ( -2.531 8.443 -1.833) 9.003 4.868 ( 10.546 5.252 -13.570) 17.971 5.067 ( -12.943 2.636 0.733) 13.229 5.277 ( -2.483 0.500 -0.287) 2.549 5.458 ( -0.665 2.086 -10.161) 10.395 5.598 ( 2.407 -4.093 4.353) 6.442 5.996 ( -5.502 1.121 -4.107) 6.957 6.883 ( 0.745 -8.203 4.669) 9.469 7.066 ( -0.503 -6.668 3.640) 7.613 7.135 ( -7.040 -6.144 -1.263) 9.429 7.206 ( -1.641 2.869 -0.494) 3.342 7.697 ( -4.791 0.271 10.136) 11.214 8.093 ( -5.109 -2.360 11.515) 12.816 8.134 ( 1.855 0.920 -4.043) 4.542 8.684 ( 11.834 -1.481 -15.667) 19.690 8.962 ( -1.935 -2.522 7.685) 8.317 9.059 ( 1.907 -5.545 0.188) 5.866 9.135 ( -5.031 -3.020 0.279) 5.875 9.564 ( 8.064 0.178 -18.638) 20.309 11.304 ( -2.486 -0.815 27.338) 27.462 11.494 ( -3.158 -0.235 28.777) 28.950 11.931 ( -3.426 4.248 1.448) 5.647 12.029 ( -4.555 3.569 10.710) 12.173 12.565 ( -1.422 1.360 5.170) 5.532 12.747 ( -4.143 10.974 -14.183) 18.406 13.245 ( 3.633 -5.182 -11.501) 13.128 13.718 ( 8.481 5.213 -20.749) 23.014 14.400 ( 6.167 -2.279 -2.844) 7.163 15.097 ( 4.344 -1.715 -15.651) 16.333 17.850 ( -0.730 0.447 8.332) 8.376 18.477 ( -3.529 -0.232 9.772) 10.392 18.543 ( -3.194 -3.530 -2.149) 5.224 19.102 ( -13.290 -7.289 -20.133) 25.201 20.475 ( 26.383 0.909 6.571) 27.204 20.933 ( -10.982 -0.534 7.651) 13.395 ======================= Grid point 331 (167/227) ======================= q-point: (-0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -5.866 2.454 8.094) 10.293 2.397 ( -0.388 11.790 2.388) 12.035 2.553 ( 47.430 7.702 14.518) 50.197 2.730 ( -5.525 0.862 7.197) 9.114 2.946 ( 0.054 20.993 11.764) 24.064 3.651 ( 0.239 3.121 -22.154) 22.374 4.294 ( -9.539 2.173 10.156) 14.102 4.466 ( -11.837 8.760 -4.205) 15.315 4.798 ( -0.455 7.619 -3.169) 8.264 4.872 ( -5.308 -2.149 -5.805) 8.154 5.182 ( -5.342 3.077 1.039) 6.252 5.409 ( -1.189 -0.311 -0.313) 1.268 5.664 ( 3.202 4.363 4.621) 7.116 5.983 ( 0.081 -10.991 -13.998) 17.798 6.975 ( -4.483 4.492 5.285) 8.259 7.132 ( 0.606 -0.840 -0.580) 1.187 7.160 ( -2.562 -7.535 4.148) 8.975 7.246 ( 0.299 -9.947 0.283) 9.956 7.744 ( -3.020 -5.365 8.295) 10.330 8.126 ( -1.446 -1.592 0.396) 2.187 8.145 ( -3.547 -5.021 5.838) 8.478 8.778 ( 10.200 -3.064 -13.914) 17.522 9.035 ( -3.568 -4.772 7.543) 9.613 9.100 ( -2.840 -2.026 1.488) 3.793 9.214 ( 4.938 -5.136 -1.746) 7.336 9.565 ( 7.975 -0.653 -16.404) 18.251 11.447 ( 1.959 0.536 23.184) 23.273 11.646 ( -0.161 -1.345 28.738) 28.770 11.808 ( -4.982 5.526 -1.336) 7.559 12.033 ( -3.957 -3.381 11.251) 12.397 12.398 ( -11.553 8.464 -14.601) 20.453 12.603 ( -0.889 -2.983 4.391) 5.382 13.254 ( -6.428 -2.116 -4.479) 8.116 13.633 ( 7.408 1.764 -20.947) 22.288 14.587 ( 15.168 -6.387 -0.908) 16.483 15.078 ( 3.012 -2.428 -18.131) 18.539 17.849 ( 1.869 7.421 11.664) 13.950 18.394 ( -8.224 4.932 -10.086) 13.917 18.568 ( -4.641 -1.898 10.185) 11.352 18.864 ( -12.787 2.390 -8.062) 15.304 20.780 ( -9.819 -0.631 5.422) 11.234 20.926 ( 27.846 -3.506 -1.360) 28.099 ======================= Grid point 332 (168/227) ======================= q-point: (-0.10 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -10.742 5.552 2.357) 12.320 2.301 ( 6.552 7.855 3.524) 10.818 2.538 ( -18.286 4.449 -3.268) 19.101 2.727 ( 1.115 16.840 15.978) 23.240 3.119 ( 40.755 2.145 8.769) 41.743 3.485 ( 6.732 4.832 -23.630) 25.041 4.023 ( -25.082 9.556 1.389) 26.877 4.158 ( -12.427 6.686 9.628) 17.083 4.723 ( 6.480 7.184 3.069) 10.150 4.872 ( 7.806 1.876 -9.167) 12.185 5.153 ( -4.672 -3.022 12.103) 13.321 5.402 ( -4.304 1.425 10.717) 11.637 5.652 ( 6.598 2.584 -3.487) 7.898 6.091 ( 3.301 -7.217 -16.305) 18.134 6.757 ( -5.015 14.310 4.172) 15.727 7.153 ( 4.380 1.400 -5.392) 7.087 7.274 ( -4.461 -6.371 1.006) 7.843 7.440 ( 4.723 -8.716 1.367) 10.007 7.877 ( -4.665 -10.731 11.482) 16.394 8.122 ( -14.148 -3.492 13.820) 20.084 8.315 ( 4.248 -17.722 -7.370) 19.658 8.849 ( 4.052 -4.821 -12.643) 14.125 9.085 ( -5.834 -3.379 6.116) 9.102 9.130 ( 2.536 -0.727 1.163) 2.883 9.312 ( 3.729 -0.584 -1.411) 4.030 9.597 ( 7.914 -1.903 -13.469) 15.738 11.492 ( -7.154 9.428 10.933) 16.112 11.640 ( 1.665 5.012 1.154) 5.406 11.809 ( 1.717 0.088 13.790) 13.896 12.057 ( -3.030 5.003 -8.812) 10.577 12.239 ( -14.348 -15.958 22.705) 31.242 12.721 ( -1.930 -10.361 5.846) 12.052 13.129 ( -9.361 1.515 -3.102) 9.977 13.612 ( 4.122 -1.597 -13.168) 13.890 14.862 ( 8.597 -7.066 -7.829) 13.606 15.116 ( 14.927 -7.307 -15.602) 22.795 17.767 ( 1.200 15.257 13.927) 20.692 18.016 ( -9.706 17.233 -12.807) 23.563 18.577 ( -5.315 2.041 13.250) 14.422 18.758 ( -2.476 -0.581 2.100) 3.298 20.588 ( -21.335 -0.212 -0.305) 21.338 21.341 ( 30.149 -5.376 -10.194) 32.276 ======================= Grid point 336 (169/227) ======================= q-point: ( 0.30 0.30 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 9.469 0.000 -0.079) 9.469 2.669 ( -0.856 -0.000 15.877) 15.900 2.889 ( 4.474 0.000 13.081) 13.825 3.079 ( -0.184 -0.000 17.263) 17.264 3.311 ( -18.724 -0.000 -36.361) 40.898 3.441 ( 14.806 0.000 -17.735) 23.103 3.904 ( -15.135 -0.000 34.815) 37.962 4.261 ( 36.229 0.000 20.245) 41.502 4.663 ( -13.451 -0.000 18.319) 22.727 4.870 ( 16.919 0.000 -16.208) 23.430 5.292 ( -7.087 -0.000 14.041) 15.729 5.597 ( -22.107 -0.000 -6.156) 22.948 5.599 ( 0.189 0.000 -5.779) 5.782 6.088 ( -0.181 -0.000 -2.784) 2.790 6.474 ( 19.323 0.000 -38.325) 42.921 6.561 ( -1.849 -0.000 3.497) 3.956 6.636 ( 7.141 0.000 -19.069) 20.363 7.586 ( 0.256 0.000 9.407) 9.410 7.931 ( -6.197 -0.000 19.976) 20.915 8.420 ( -10.863 -0.000 19.469) 22.295 8.641 ( -4.307 -0.000 -2.094) 4.789 8.778 ( 0.473 0.000 -13.269) 13.277 8.972 ( -6.746 -0.000 9.706) 11.820 9.061 ( -6.355 -0.000 1.789) 6.602 9.475 ( 4.137 0.000 -10.981) 11.735 9.608 ( 4.233 0.000 -10.670) 11.479 10.772 ( -9.142 -0.000 25.616) 27.198 11.490 ( -18.417 -0.000 2.968) 18.654 11.841 ( 9.124 0.000 -14.168) 16.851 12.043 ( -20.222 -0.000 43.410) 47.889 13.005 ( 28.206 0.000 -3.371) 28.407 13.114 ( -0.952 -0.000 7.548) 7.608 13.794 ( 7.503 0.000 1.579) 7.667 14.096 ( 13.328 0.000 -16.684) 21.354 15.091 ( 17.632 0.000 -9.943) 20.243 15.306 ( -25.064 -0.000 -28.638) 38.058 16.991 ( 1.506 0.000 1.345) 2.019 17.128 ( 0.174 0.000 -1.684) 1.693 18.344 ( -3.466 -0.000 14.404) 14.815 18.787 ( -3.096 -0.000 0.160) 3.100 20.779 ( 12.050 0.000 20.048) 23.391 20.955 ( -19.067 -0.000 -18.504) 26.570 ======================= Grid point 337 (170/227) ======================= q-point: ( 0.40 0.30 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 8.040 0.141 2.566) 8.441 2.692 ( -11.126 -0.646 17.097) 20.409 2.797 ( -21.953 4.807 -28.205) 36.064 3.002 ( 1.460 0.014 4.800) 5.018 3.128 ( -6.532 -1.016 16.271) 17.562 3.557 ( 16.399 -2.793 -17.830) 24.385 3.936 ( -11.839 -1.379 26.684) 29.225 4.622 ( 5.465 -1.214 5.962) 8.179 4.737 ( 3.855 -6.880 17.655) 19.337 5.115 ( 28.380 0.269 -3.605) 28.609 5.263 ( -2.340 -1.514 -0.226) 2.796 5.381 ( -11.476 1.510 10.819) 15.844 5.591 ( -0.264 -1.519 -7.939) 8.087 5.976 ( 2.778 7.925 -4.506) 9.530 6.573 ( 4.107 -0.660 -3.422) 5.386 6.591 ( 9.998 -4.323 -18.095) 21.121 6.703 ( 7.472 -13.133 -22.917) 27.450 7.560 ( -8.775 2.521 5.289) 10.552 7.967 ( -7.270 -0.697 19.987) 21.280 8.307 ( -9.205 10.850 18.447) 23.297 8.611 ( -2.602 -2.072 -2.842) 4.375 8.692 ( 2.126 2.881 -14.203) 14.648 8.957 ( -6.327 0.059 7.717) 9.979 9.018 ( -6.375 -2.450 3.702) 7.769 9.290 ( -0.653 13.959 -12.400) 18.682 9.605 ( 3.334 -0.381 -9.727) 10.290 10.885 ( -9.575 -8.446 25.712) 28.707 11.363 ( -9.193 -0.874 9.185) 13.024 11.892 ( 7.308 -2.826 -11.862) 14.216 12.078 ( -16.417 -2.906 40.008) 43.343 13.081 ( -1.610 7.622 8.911) 11.836 13.230 ( 19.782 3.310 -7.695) 21.482 13.835 ( 10.132 9.965 -3.776) 14.704 14.033 ( 9.874 10.947 -11.399) 18.635 14.845 ( -15.038 5.210 -32.210) 35.927 15.159 ( 12.442 6.141 -11.170) 17.813 17.138 ( -0.816 -14.130 2.109) 14.309 17.330 ( 3.316 -23.472 -3.255) 23.927 18.400 ( -1.739 -0.447 14.294) 14.407 18.751 ( -2.601 -0.131 -0.395) 2.635 20.658 ( -14.028 1.714 -12.520) 18.880 20.965 ( 3.201 0.982 17.933) 18.243 ======================= Grid point 338 (171/227) ======================= q-point: ( 0.50 0.30 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -1.365 4.125 -10.231) 11.116 2.506 ( 5.844 2.631 -2.344) 6.824 2.644 ( -13.182 0.239 16.469) 21.097 3.020 ( 2.395 2.967 -2.366) 4.487 3.180 ( -10.710 -6.956 19.011) 22.903 3.693 ( 14.961 -3.233 -18.909) 24.328 3.942 ( -7.204 2.148 20.287) 21.635 4.690 ( 0.311 -3.281 -3.638) 4.909 4.961 ( 2.553 -5.890 9.922) 11.817 5.138 ( 4.057 2.390 -10.707) 11.696 5.352 ( -7.296 -0.310 16.145) 17.720 5.495 ( 11.656 1.190 7.522) 13.924 5.560 ( 6.257 0.131 -9.270) 11.185 5.954 ( 1.507 -3.299 2.551) 4.434 6.606 ( -1.449 -2.318 1.590) 3.163 6.640 ( 7.249 -1.748 -12.381) 14.453 6.909 ( 5.439 -13.830 -19.931) 24.862 7.377 ( -16.663 0.214 -4.385) 17.232 7.998 ( -8.267 -0.914 19.652) 21.339 8.103 ( -7.502 13.446 16.241) 22.380 8.532 ( 3.644 8.844 -11.886) 15.257 8.661 ( 0.564 -0.848 -0.459) 1.117 8.843 ( 0.054 5.735 -12.504) 13.757 9.023 ( -5.078 -0.530 10.255) 11.455 9.061 ( -6.213 0.727 -3.447) 7.142 9.590 ( 3.718 0.079 -11.648) 12.227 11.046 ( -10.624 -7.826 28.146) 31.086 11.410 ( 3.562 0.447 17.280) 17.649 11.957 ( 3.204 -3.430 -5.640) 7.337 12.173 ( -10.576 -3.452 31.155) 33.082 12.943 ( -2.770 12.402 10.673) 16.595 13.262 ( 8.521 6.577 -12.357) 16.388 13.590 ( 9.203 22.789 -17.613) 30.237 13.993 ( 10.054 6.704 -1.682) 12.200 14.492 ( -6.019 3.184 -27.787) 28.609 15.118 ( 7.692 3.786 -14.179) 16.570 17.385 ( -2.763 -16.826 3.939) 17.500 17.805 ( 3.893 -30.387 -7.179) 31.465 18.450 ( -3.499 -0.849 10.329) 10.938 18.740 ( -2.454 -2.398 0.362) 3.450 20.481 ( -0.458 3.188 -4.013) 5.146 21.014 ( -5.066 1.700 13.213) 14.252 ======================= Grid point 339 (172/227) ======================= q-point: ( 0.60 0.30 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 18.739 5.430 1.780) 19.591 2.537 ( 1.990 4.455 8.958) 10.201 2.657 ( 0.955 -2.483 10.662) 10.989 2.928 ( -0.576 6.389 -6.307) 8.996 3.293 ( -8.961 -10.062 10.925) 17.347 3.759 ( 9.360 2.245 -14.641) 17.522 3.970 ( -3.808 -2.271 18.122) 18.657 4.707 ( -1.308 -3.600 -6.870) 7.866 5.038 ( 10.555 5.563 -7.582) 14.136 5.133 ( -1.752 -1.106 1.722) 2.694 5.333 ( -3.147 3.602 3.118) 5.710 5.510 ( -2.860 -0.834 9.095) 9.571 5.579 ( -0.784 3.105 -8.175) 8.780 6.055 ( -2.687 -2.872 3.587) 5.323 6.650 ( -1.058 -5.770 1.946) 6.180 6.723 ( 0.717 -8.467 -1.224) 8.585 6.956 ( -9.813 -5.454 -6.742) 13.096 7.251 ( -2.549 -4.763 -12.599) 13.708 7.892 ( -5.994 11.753 13.350) 18.769 8.028 ( -9.538 -1.831 18.631) 21.010 8.317 ( 4.093 13.815 -8.136) 16.547 8.651 ( 6.521 -0.348 -13.410) 14.915 8.847 ( 4.621 -5.520 -3.845) 8.161 9.011 ( -4.455 -0.794 4.626) 6.471 9.019 ( -5.548 -1.288 3.804) 6.849 9.566 ( 5.115 0.097 -15.353) 16.183 11.191 ( -11.324 -5.740 33.041) 35.397 11.585 ( 12.508 3.214 21.547) 25.121 12.002 ( 0.926 -1.318 -2.194) 2.722 12.224 ( -9.127 3.445 25.095) 26.924 12.768 ( -3.248 11.672 10.881) 16.284 13.084 ( -3.768 9.499 -16.267) 19.210 13.282 ( 6.866 12.885 -17.286) 22.627 13.949 ( 13.191 8.975 -21.453) 26.735 14.341 ( -0.775 -1.390 -6.576) 6.766 15.076 ( 5.343 0.570 -17.003) 17.832 17.632 ( -1.814 -13.677 6.724) 15.348 18.203 ( -1.155 -21.373 -7.963) 22.838 18.457 ( -5.727 -1.706 5.962) 8.441 18.771 ( -5.369 -7.076 -2.428) 9.208 20.535 ( 18.288 2.642 3.785) 18.862 20.948 ( -11.646 1.309 7.959) 14.166 ======================= Grid point 340 (173/227) ======================= q-point: (-0.30 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -7.578 1.844 12.767) 14.961 2.683 ( -8.198 2.480 -0.645) 8.589 2.707 ( 22.677 2.749 8.675) 24.435 2.835 ( 19.950 7.119 -3.380) 21.450 3.360 ( -3.139 -1.714 1.016) 3.718 3.711 ( 4.725 4.429 -9.776) 11.726 4.101 ( -5.790 -7.433 18.451) 20.717 4.695 ( -2.328 -0.167 -4.289) 4.883 4.938 ( -21.629 7.971 -2.249) 23.160 5.047 ( 13.289 7.277 -8.839) 17.541 5.252 ( -3.153 0.335 -0.385) 3.194 5.430 ( -2.725 2.580 -7.341) 8.245 5.600 ( 2.029 -3.703 10.017) 10.870 5.969 ( -3.583 5.482 -6.166) 8.995 6.799 ( 1.979 -8.079 5.838) 10.163 6.908 ( -4.439 -12.434 3.860) 13.756 6.930 ( -3.936 -7.725 -1.295) 8.766 7.223 ( -0.035 1.566 -4.775) 5.026 7.743 ( -5.545 6.415 11.191) 14.041 8.041 ( -11.017 -2.392 17.547) 20.856 8.174 ( 4.820 4.869 -10.136) 12.234 8.692 ( 7.680 -2.283 -13.210) 15.450 8.985 ( -0.335 -5.268 0.258) 5.285 8.993 ( -0.544 1.891 8.336) 8.565 9.031 ( 2.194 -5.144 -2.786) 6.248 9.546 ( 6.873 -0.473 -18.556) 19.794 11.323 ( -12.548 -4.797 36.822) 39.196 11.790 ( 14.215 5.367 18.504) 23.944 11.986 ( 0.133 4.425 3.195) 5.459 12.124 ( -8.157 8.120 16.884) 20.434 12.627 ( -5.416 7.052 4.716) 10.065 12.739 ( -10.436 9.882 -14.741) 20.588 13.169 ( 1.602 0.004 -10.296) 10.420 13.807 ( 13.024 8.252 -32.770) 36.216 14.420 ( 5.695 -4.241 4.919) 8.638 15.036 ( 4.633 -0.618 -19.388) 19.944 17.840 ( 0.028 -7.781 10.548) 13.107 18.349 ( -7.165 -9.539 -13.350) 17.904 18.476 ( -3.688 -2.922 13.196) 14.010 18.784 ( -7.549 -5.963 -4.744) 10.726 20.785 ( -5.975 0.971 4.327) 7.440 20.843 ( 18.871 -1.251 2.062) 19.024 ======================= Grid point 341 (174/227) ======================= q-point: (-0.20 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -17.539 1.023 8.773) 19.638 2.486 ( -9.142 5.124 -3.317) 10.993 2.735 ( 0.732 5.793 -4.311) 7.258 3.160 ( 31.503 0.506 -5.621) 32.004 3.286 ( 4.017 11.614 6.179) 13.755 3.642 ( 8.481 5.302 -13.314) 16.652 4.212 ( -11.410 -4.528 17.290) 21.205 4.390 ( -27.132 12.907 0.311) 30.047 4.704 ( -3.356 -2.727 1.432) 4.555 5.078 ( 11.418 7.004 -0.289) 13.398 5.203 ( 1.802 2.912 -2.752) 4.393 5.389 ( 0.988 -0.808 -1.599) 2.046 5.768 ( 5.798 -2.025 7.640) 9.803 5.827 ( 1.233 0.609 -9.503) 9.602 6.934 ( -4.089 -7.297 2.682) 8.784 7.020 ( 0.945 -4.728 5.342) 7.196 7.103 ( 1.655 -10.284 2.040) 10.614 7.166 ( -1.918 2.321 0.130) 3.014 7.698 ( -4.737 -0.925 10.698) 11.737 8.032 ( -15.080 -3.226 16.596) 22.655 8.126 ( 5.350 1.750 -11.871) 13.138 8.731 ( 2.830 -3.091 -11.173) 11.934 8.983 ( -4.044 -1.109 7.583) 8.665 9.069 ( 3.893 -2.900 -0.945) 4.946 9.193 ( 8.766 -5.714 -2.611) 10.785 9.545 ( 8.089 -1.403 -18.941) 20.643 11.454 ( -12.844 -5.228 37.315) 39.809 11.829 ( -3.153 5.895 -3.192) 7.408 11.930 ( 0.982 7.527 17.701) 19.260 12.085 ( 3.289 3.898 14.441) 15.315 12.284 ( -15.168 7.998 -15.766) 23.294 12.606 ( -1.723 1.724 4.830) 5.410 13.137 ( -4.819 -1.255 -3.422) 6.043 13.666 ( 11.480 5.487 -29.427) 32.060 14.627 ( 9.718 -7.016 2.456) 12.235 15.004 ( 6.854 -1.431 -20.691) 21.844 17.986 ( 0.514 -1.117 14.578) 14.630 18.257 ( -8.745 -0.735 -12.191) 15.021 18.571 ( -2.470 -2.983 14.270) 14.787 18.751 ( -4.218 -1.059 -0.678) 4.401 20.593 ( -18.536 0.522 -0.425) 18.548 21.201 ( 27.584 -3.188 -4.611) 28.147 ======================= Grid point 342 (175/227) ======================= q-point: (-0.10 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -19.840 1.021 -3.726) 20.212 2.287 ( -8.125 3.898 -6.756) 11.263 2.604 ( 4.995 9.905 -2.242) 11.318 3.107 ( 3.993 15.358 5.026) 16.646 3.403 ( 13.220 2.034 -8.629) 15.918 3.648 ( 20.396 4.174 -15.485) 25.946 3.950 ( -20.026 10.677 11.038) 25.237 4.156 ( -12.126 2.761 12.510) 17.640 4.781 ( 0.087 -3.676 5.876) 6.932 5.042 ( -0.723 4.229 4.445) 6.177 5.231 ( 12.262 4.758 3.087) 13.510 5.412 ( -0.710 -0.066 4.116) 4.177 5.764 ( 6.793 0.691 -9.091) 11.369 5.973 ( 5.348 -4.936 0.434) 7.291 6.945 ( -2.756 10.381 4.842) 11.782 7.042 ( -4.623 -6.999 2.645) 8.795 7.191 ( -0.183 -5.660 1.942) 5.986 7.326 ( 3.156 -10.945 1.277) 11.462 7.764 ( -3.016 -5.645 8.461) 10.609 7.954 ( -20.214 -1.710 14.747) 25.080 8.134 ( 5.535 -4.602 -11.863) 13.876 8.747 ( 0.875 -3.634 -9.509) 10.217 9.005 ( -4.824 -2.764 6.626) 8.650 9.154 ( 4.856 -2.040 -2.632) 5.888 9.332 ( 5.473 -1.731 -3.491) 6.718 9.576 ( 8.386 -2.449 -16.517) 18.685 11.539 ( -18.058 6.906 16.399) 25.352 11.630 ( -3.018 -2.814 6.835) 7.984 11.941 ( 0.269 3.106 5.511) 6.332 12.021 ( -9.325 -2.958 7.831) 12.531 12.162 ( 3.565 4.669 11.470) 12.887 12.621 ( -1.836 -3.203 3.891) 5.363 13.054 ( -3.900 1.393 -3.971) 5.738 13.595 ( 7.858 1.380 -18.650) 20.285 14.809 ( 6.920 -4.037 -11.194) 13.765 15.084 ( 12.873 -8.191 -13.775) 20.557 17.964 ( -6.756 8.425 3.355) 11.308 18.131 ( 0.472 5.287 5.791) 7.856 18.648 ( -3.072 0.521 16.057) 16.356 18.725 ( -2.021 -0.116 1.622) 2.594 20.365 ( -15.492 1.278 -3.485) 15.931 21.477 ( 18.059 -3.676 -13.037) 22.574 ======================= Grid point 347 (176/227) ======================= q-point: ( 0.40 0.40 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 2.524 0.000 -6.050) 6.555 2.575 ( 4.562 0.000 -11.161) 12.058 2.635 ( -15.015 -0.000 19.288) 24.444 3.073 ( 1.127 0.000 6.029) 6.134 3.112 ( -10.246 -0.000 15.273) 18.391 3.627 ( 15.919 0.000 -17.204) 23.439 3.925 ( -15.274 -0.000 35.377) 38.533 4.694 ( -7.855 -0.000 26.394) 27.538 4.737 ( 6.962 0.000 -7.592) 10.301 5.192 ( 4.023 0.000 -13.416) 14.007 5.347 ( -10.476 -0.000 18.194) 20.994 5.498 ( 27.619 0.000 0.344) 27.621 5.548 ( 2.250 0.000 -6.925) 7.281 6.086 ( 0.528 0.000 -0.038) 0.530 6.480 ( 17.973 0.000 -40.745) 44.533 6.578 ( -1.289 -0.000 2.373) 2.701 6.640 ( 8.995 0.000 -15.926) 18.291 7.395 ( -24.667 -0.000 -2.773) 24.822 7.976 ( -8.571 -0.000 19.657) 21.444 8.395 ( -9.200 -0.000 19.250) 21.335 8.557 ( -0.511 -0.000 -3.696) 3.731 8.663 ( 4.388 0.000 -14.002) 14.673 8.915 ( -6.584 -0.000 -0.404) 6.597 8.950 ( -6.504 -0.000 14.045) 15.478 9.317 ( -3.452 -0.000 -14.182) 14.596 9.588 ( 3.886 0.000 -10.506) 11.202 10.842 ( -9.564 -0.000 27.093) 28.731 11.417 ( 6.897 0.000 16.338) 17.735 11.894 ( 8.912 0.000 -13.955) 16.558 12.082 ( -17.353 -0.000 44.006) 47.304 13.171 ( -2.134 -0.000 9.668) 9.900 13.369 ( 9.119 0.000 -13.277) 16.107 14.044 ( 10.109 0.000 7.369) 12.510 14.155 ( 10.319 0.000 -21.491) 23.840 14.562 ( -8.538 -0.000 -34.152) 35.203 15.284 ( 7.054 0.000 -12.492) 14.346 17.033 ( 0.560 0.000 1.326) 1.440 17.123 ( 0.891 0.000 -2.163) 2.340 18.441 ( -4.691 -0.000 13.301) 14.104 18.714 ( -2.275 -0.000 -1.717) 2.850 20.536 ( -0.201 -0.000 -4.932) 4.936 21.047 ( -5.474 -0.000 13.982) 15.015 ======================= Grid point 348 (177/227) ======================= q-point: ( 0.50 0.40 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 15.994 2.409 -1.680) 16.261 2.556 ( -16.498 -1.033 16.700) 23.498 2.693 ( 19.668 2.350 0.131) 19.809 3.058 ( -4.564 0.613 -2.066) 5.047 3.079 ( -11.197 -0.224 20.604) 23.451 3.727 ( 14.636 -1.542 -17.030) 22.508 3.969 ( -11.785 -2.070 30.124) 32.414 4.681 ( -0.089 2.380 1.299) 2.713 4.866 ( -5.575 -9.595 14.072) 17.921 5.217 ( 14.658 2.629 -10.150) 18.022 5.333 ( -9.506 -0.363 19.227) 21.452 5.544 ( 3.901 -0.607 -10.045) 10.793 5.681 ( 3.155 2.572 -0.658) 4.124 6.002 ( 2.347 6.051 -1.778) 6.729 6.572 ( -1.309 -0.916 -0.080) 1.599 6.624 ( 11.355 -10.245 -29.243) 33.001 6.649 ( 4.965 -4.165 -13.777) 15.225 7.049 ( -24.017 -2.911 -12.808) 27.374 7.981 ( -9.769 -0.825 19.045) 21.421 8.308 ( -8.288 10.404 19.298) 23.438 8.550 ( 3.744 -0.702 -8.664) 9.464 8.678 ( 6.137 -1.012 -5.443) 8.265 8.840 ( -5.089 0.247 -1.801) 5.404 8.975 ( -4.700 -1.342 6.746) 8.331 9.107 ( -2.883 10.749 -5.282) 12.319 9.574 ( 3.619 0.219 -10.750) 11.345 10.944 ( -10.262 -7.629 27.486) 30.315 11.644 ( 15.722 0.495 14.993) 21.731 11.945 ( 7.175 -0.945 -3.525) 8.050 12.155 ( -14.031 -3.553 38.902) 41.507 13.134 ( -3.452 7.730 11.582) 14.346 13.294 ( -2.679 3.432 -17.736) 18.262 13.954 ( 8.694 20.028 -19.167) 29.053 14.204 ( 11.610 3.725 0.667) 12.211 14.326 ( -1.584 0.532 -27.948) 27.998 15.184 ( 2.043 6.294 -15.936) 17.255 17.142 ( -0.850 -12.182 2.586) 12.483 17.338 ( 0.707 -24.143 -5.038) 24.673 18.427 ( -8.929 -0.315 11.411) 14.492 18.687 ( -1.631 -0.515 -1.570) 2.322 20.609 ( 16.095 1.500 1.679) 16.251 20.993 ( -12.529 1.033 8.480) 15.164 ======================= Grid point 349 (178/227) ======================= q-point: (-0.40 -0.60 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( -14.353 2.302 12.210) 18.984 2.579 ( 4.903 -2.785 5.799) 8.089 2.890 ( 9.415 4.729 -0.481) 10.547 2.994 ( 16.122 2.523 -8.717) 18.500 3.097 ( -12.032 -6.828 18.782) 23.327 3.814 ( 13.041 -0.329 -17.185) 21.576 4.023 ( -5.822 -0.045 22.398) 23.142 4.646 ( 1.589 1.147 -6.907) 7.180 5.014 ( -9.058 -7.721 13.550) 18.036 5.284 ( 7.792 4.847 0.773) 9.209 5.351 ( 1.198 3.514 5.966) 7.027 5.449 ( -21.949 1.182 -5.762) 22.723 5.534 ( 0.101 2.954 0.345) 2.976 6.020 ( 4.229 -2.068 2.269) 5.226 6.560 ( 0.107 -2.711 -8.996) 9.396 6.626 ( 0.334 -4.290 -0.872) 4.391 6.753 ( -2.134 -4.937 -5.960) 8.028 7.007 ( 6.044 -14.461 -24.256) 28.879 7.980 ( -11.280 -1.462 18.353) 21.592 8.112 ( -7.456 14.366 17.522) 23.853 8.539 ( 5.717 7.960 -8.668) 13.083 8.676 ( 1.718 6.708 -5.921) 9.111 8.806 ( 4.656 -4.318 -3.393) 7.200 8.889 ( -1.053 -1.534 -7.241) 7.476 9.056 ( -3.731 -0.143 12.978) 13.505 9.548 ( 4.194 0.627 -12.997) 13.671 11.110 ( -11.281 -8.875 29.804) 33.080 11.848 ( 9.902 -1.579 -2.017) 10.228 12.076 ( 10.938 2.776 19.681) 22.687 12.255 ( -11.418 -2.377 30.778) 32.914 12.965 ( -9.019 10.793 -0.670) 14.081 13.042 ( -9.037 8.276 -5.250) 13.331 13.555 ( 3.789 23.869 -17.571) 29.881 14.097 ( 14.817 8.075 -43.621) 46.771 14.338 ( 2.146 0.112 15.429) 15.578 15.046 ( 2.821 1.892 -19.391) 19.686 17.399 ( -0.927 -17.495 6.200) 18.585 17.717 ( -2.809 -27.028 -9.793) 28.884 18.399 ( -8.187 -1.629 12.239) 14.814 18.676 ( -0.841 -0.863 -0.904) 1.506 20.832 ( -13.226 1.509 3.463) 13.755 20.851 ( 22.724 1.362 3.073) 22.971 ======================= Grid point 350 (179/227) ======================= q-point: (-0.30 -0.60 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -23.030 -0.130 7.681) 24.278 2.618 ( -5.711 2.584 -0.129) 6.270 2.820 ( -0.456 -0.033 -1.814) 1.870 3.102 ( -2.386 -5.288 -0.129) 5.803 3.303 ( 19.030 -2.689 -0.020) 19.219 3.840 ( 12.755 4.245 -15.704) 20.672 4.096 ( -2.867 -1.068 19.871) 20.105 4.615 ( -0.516 -1.229 -7.274) 7.395 4.778 ( -30.312 10.179 1.298) 32.002 5.194 ( -4.726 -2.451 0.779) 5.380 5.295 ( 4.856 6.434 2.376) 8.403 5.422 ( 3.555 2.031 -3.052) 5.106 5.595 ( 0.725 -6.575 15.178) 16.557 6.053 ( 6.889 6.890 -6.526) 11.727 6.683 ( -0.962 -12.514 3.423) 13.009 6.758 ( 3.703 -4.838 3.874) 7.220 6.795 ( 3.996 -6.787 0.309) 7.882 7.162 ( 5.345 -7.325 -15.132) 17.641 7.894 ( -6.619 12.177 13.454) 19.316 7.960 ( -13.610 -1.105 18.229) 22.776 8.317 ( 3.385 13.624 -8.175) 16.245 8.652 ( 2.705 -1.746 -10.303) 10.795 8.898 ( 1.316 -4.943 -2.644) 5.758 8.990 ( 9.020 -6.204 -3.633) 11.534 9.078 ( -0.755 1.728 10.497) 10.665 9.519 ( 5.733 0.052 -16.394) 17.368 11.277 ( -11.649 -7.449 33.025) 35.802 11.908 ( 1.844 -1.088 -6.917) 7.241 12.241 ( -11.316 6.820 23.143) 26.649 12.265 ( 10.827 6.058 24.069) 27.078 12.562 ( -18.610 9.001 -19.276) 28.265 12.836 ( -5.586 12.459 14.341) 19.801 13.200 ( 0.042 10.904 -11.589) 15.913 13.912 ( 17.359 8.533 -44.896) 48.886 14.462 ( 3.200 -2.357 13.139) 13.727 14.975 ( 5.429 -0.520 -21.460) 22.142 17.709 ( -0.585 -15.848 11.216) 19.424 17.969 ( -6.057 -18.100 -11.248) 22.154 18.439 ( -4.987 -3.942 13.595) 15.008 18.690 ( 0.593 -1.360 0.410) 1.539 20.621 ( -17.334 1.203 -0.406) 17.381 21.157 ( 27.304 0.443 -1.199) 27.334 ======================= Grid point 351 (180/227) ======================= q-point: (-0.20 -0.60 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -22.060 -0.994 -0.679) 22.093 2.443 ( -8.903 5.311 -1.192) 10.435 2.815 ( 2.156 2.585 -2.438) 4.156 3.160 ( -2.890 -8.594 -7.566) 11.809 3.511 ( 12.853 -0.527 -1.546) 12.956 3.826 ( 14.945 6.140 -17.094) 23.521 4.171 ( -6.128 0.661 21.235) 22.111 4.305 ( -23.274 10.643 9.412) 27.268 4.626 ( -0.675 -4.140 -3.227) 5.292 5.170 ( -3.584 1.553 1.667) 4.247 5.289 ( 4.884 -0.358 -1.254) 5.055 5.413 ( 2.075 1.826 0.554) 2.819 5.797 ( 2.235 -4.809 3.611) 6.416 5.945 ( 6.768 8.680 -3.119) 11.440 6.796 ( -1.930 -5.956 -0.164) 6.263 6.927 ( -2.610 -12.460 5.255) 13.772 7.074 ( 14.665 -3.585 9.809) 18.003 7.180 ( 0.331 1.470 -4.519) 4.763 7.739 ( -5.198 6.179 11.397) 13.968 7.900 ( -16.713 -1.048 17.853) 24.477 8.170 ( 4.957 4.780 -11.420) 13.336 8.651 ( 0.920 -2.322 -8.674) 9.026 8.972 ( 0.715 -1.845 0.615) 2.072 9.077 ( 1.761 -0.599 1.661) 2.494 9.212 ( 10.885 -4.887 -1.114) 11.984 9.511 ( 7.729 -1.359 -18.793) 20.366 11.433 ( -10.674 -5.421 35.255) 37.233 11.830 ( -6.474 4.532 -9.210) 12.136 12.056 ( -12.463 9.475 15.587) 22.092 12.141 ( -10.361 6.181 -10.681) 16.114 12.379 ( 4.682 7.492 18.040) 20.087 12.674 ( -4.201 7.354 8.163) 11.763 13.081 ( -2.203 1.054 -0.731) 2.549 13.748 ( 16.117 7.692 -39.367) 43.228 14.622 ( 3.787 -5.811 5.398) 8.789 14.956 ( 8.202 -1.696 -20.977) 22.588 17.969 ( -3.201 -8.878 12.808) 15.910 18.066 ( -2.730 -8.812 -5.355) 10.667 18.529 ( -4.463 -5.110 11.575) 13.417 18.734 ( 1.016 -1.056 3.701) 3.981 20.411 ( -13.284 1.569 -2.221) 13.559 21.412 ( 20.614 -0.288 -8.876) 22.446 ======================= Grid point 352 (181/227) ======================= q-point: (-0.10 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 2.640 0.419 1.433) 3.033 2.279 ( -4.190 4.214 -0.962) 6.020 2.768 ( 3.198 5.336 -0.786) 6.270 3.208 ( 2.064 -3.954 -11.857) 12.668 3.598 ( 8.183 4.726 1.294) 9.538 3.793 ( 11.241 4.423 -21.850) 24.967 3.997 ( -12.669 9.375 15.054) 21.795 4.150 ( -9.058 4.993 19.082) 21.705 4.720 ( -0.951 -7.252 6.024) 9.476 5.093 ( -3.064 3.838 3.379) 5.961 5.383 ( 3.952 -2.444 -3.139) 5.607 5.424 ( 1.122 -0.932 2.018) 2.490 5.749 ( 4.317 3.112 -13.485) 14.497 6.002 ( -0.997 -3.504 4.911) 6.115 6.886 ( -0.636 -7.083 1.145) 7.203 7.071 ( -3.447 -6.086 5.060) 8.633 7.104 ( -3.324 4.945 1.189) 6.075 7.266 ( 5.661 -1.012 2.535) 6.285 7.708 ( -5.661 -1.397 9.948) 11.531 7.832 ( -12.196 -0.132 22.195) 25.325 8.123 ( 5.689 1.466 -12.604) 13.906 8.663 ( 1.767 -2.850 -7.448) 8.168 8.973 ( -3.423 0.606 5.862) 6.815 9.137 ( 3.517 -3.253 -5.424) 7.237 9.344 ( 3.910 -1.027 -4.637) 6.152 9.539 ( 8.946 -2.655 -18.718) 20.915 11.515 ( -20.888 6.411 22.122) 31.093 11.628 ( 2.998 -2.782 10.693) 11.449 11.957 ( -4.093 -0.905 6.166) 7.456 11.991 ( -0.720 2.996 0.178) 3.086 12.340 ( -4.372 7.891 12.942) 15.776 12.603 ( -2.917 1.219 4.247) 5.294 13.048 ( 0.751 1.934 -1.418) 2.513 13.632 ( 11.750 4.264 -26.600) 29.391 14.763 ( 5.586 -5.221 -7.367) 10.617 15.005 ( 7.595 -5.676 -16.396) 18.940 17.991 ( -3.781 1.780 1.333) 4.386 18.190 ( -0.714 -3.523 10.501) 11.099 18.616 ( -4.543 -4.983 9.850) 11.937 18.758 ( -2.865 1.346 6.833) 7.530 20.272 ( -2.873 2.261 -0.609) 3.706 21.520 ( 8.835 -0.114 -16.293) 18.534 ======================= Grid point 358 (182/227) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -21.215 -0.000 12.981) 24.871 2.592 ( 13.029 0.000 5.769) 14.250 2.955 ( -15.428 -0.000 10.839) 18.854 3.000 ( 30.569 0.000 -6.961) 31.352 3.056 ( -8.609 -0.000 6.623) 10.862 3.793 ( 13.070 0.000 -14.208) 19.305 3.972 ( -14.069 -0.000 37.670) 40.212 4.751 ( 3.347 0.000 -9.260) 9.846 4.752 ( -8.098 -0.000 21.183) 22.678 5.293 ( -9.108 -0.000 16.908) 19.205 5.482 ( -11.338 -0.000 -15.310) 19.051 5.484 ( 24.453 0.000 2.480) 24.578 5.602 ( -10.037 -0.000 -1.470) 10.144 6.106 ( 0.679 0.000 2.620) 2.707 6.471 ( 17.331 0.000 -34.320) 38.448 6.552 ( -1.919 -0.000 2.652) 3.274 6.564 ( -2.466 -0.000 -18.937) 19.097 6.780 ( -1.801 -0.000 -14.769) 14.878 7.956 ( -10.801 -0.000 18.230) 21.190 8.411 ( -8.186 -0.000 20.740) 22.297 8.552 ( 5.309 0.000 -7.014) 8.797 8.723 ( 8.835 0.000 -5.854) 10.598 8.770 ( -4.355 -0.000 -2.354) 4.951 8.950 ( -4.540 -0.000 8.892) 9.984 9.148 ( -2.412 -0.000 -4.788) 5.361 9.563 ( 3.936 0.000 -10.768) 11.465 10.904 ( -10.596 -0.000 27.515) 29.485 11.802 ( 11.467 0.000 -15.112) 18.970 12.132 ( 14.770 0.000 23.411) 27.681 12.177 ( -15.520 -0.000 43.887) 46.550 13.122 ( -12.874 -0.000 -21.943) 25.441 13.219 ( -4.038 -0.000 12.257) 12.905 14.115 ( 5.235 0.000 -20.544) 21.201 14.172 ( 7.007 0.000 -37.919) 38.561 14.401 ( 9.795 0.000 14.355) 17.378 15.139 ( -2.687 -0.000 -19.244) 19.431 17.042 ( -0.776 -0.000 1.375) 1.579 17.116 ( 0.481 0.000 -2.198) 2.250 18.375 ( -9.773 -0.000 12.615) 15.958 18.670 ( 0.674 0.000 -1.639) 1.772 20.859 ( -17.209 -0.000 3.531) 17.568 20.883 ( 25.854 0.000 2.740) 25.999 ======================= Grid point 359 (183/227) ======================= q-point: (-0.40 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -25.597 -0.877 6.125) 26.334 2.695 ( 2.015 3.942 10.972) 11.831 2.823 ( -14.730 0.110 3.598) 15.163 2.978 ( -11.716 -1.666 9.443) 15.140 3.267 ( 23.288 -0.945 -12.871) 26.625 3.865 ( 9.913 -1.068 -11.738) 15.401 4.054 ( -6.311 -2.129 26.064) 26.902 4.692 ( 2.563 3.751 -3.937) 6.011 4.861 ( -9.441 -6.548 17.227) 20.707 5.079 ( -30.994 0.549 -8.868) 32.242 5.277 ( -10.338 -0.931 17.587) 20.422 5.564 ( 4.562 1.778 -3.899) 6.259 5.685 ( 12.612 9.225 -3.654) 16.047 6.125 ( 9.249 1.438 5.288) 10.750 6.488 ( 3.437 -1.708 -15.563) 16.029 6.613 ( 11.491 -6.142 -3.410) 13.468 6.646 ( 10.250 -7.304 -7.032) 14.418 6.757 ( 6.845 -6.397 -22.038) 23.947 7.926 ( -11.816 -0.434 17.542) 21.155 8.334 ( -8.373 11.063 20.934) 25.114 8.589 ( 6.443 -0.338 -8.547) 10.708 8.732 ( -1.108 -1.351 -2.804) 3.304 8.823 ( 9.471 -2.068 -2.752) 10.078 8.901 ( -0.220 7.622 -8.184) 11.186 9.071 ( -5.369 0.736 12.605) 13.721 9.544 ( 4.206 0.887 -11.563) 12.337 10.996 ( -10.644 -7.737 27.410) 30.405 11.830 ( 6.841 -2.310 -17.695) 19.111 12.251 ( -14.320 -1.988 38.625) 41.242 12.413 ( 11.746 2.510 26.126) 28.754 12.783 ( -19.052 3.767 -21.176) 28.733 13.178 ( -5.446 6.927 14.472) 16.943 13.858 ( 1.089 20.125 -18.556) 27.396 14.080 ( 11.439 1.236 -39.228) 40.880 14.537 ( 6.432 4.992 14.736) 16.835 14.987 ( 1.075 1.442 -21.403) 21.478 17.156 ( -0.956 -13.668 3.736) 14.202 17.274 ( -1.016 -18.930 -4.308) 19.440 18.358 ( -6.987 -1.226 14.230) 15.900 18.681 ( 2.401 0.199 -0.692) 2.506 20.656 ( -17.593 0.721 -0.017) 17.608 21.197 ( 28.188 1.248 -0.566) 28.221 ======================= Grid point 360 (184/227) ======================= q-point: (-0.30 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -22.163 -0.817 2.322) 22.300 2.612 ( -10.031 5.399 -0.785) 11.419 2.717 ( -11.284 -4.981 11.311) 16.735 2.951 ( -8.422 -2.813 5.935) 10.680 3.439 ( 13.793 -2.941 -12.490) 18.838 3.924 ( 8.924 -0.713 -13.054) 15.829 4.145 ( -1.262 -1.635 14.329) 14.477 4.567 ( -23.592 5.672 10.347) 26.378 4.662 ( 2.117 5.310 -10.618) 12.059 5.080 ( -3.775 -8.164 8.843) 12.613 5.284 ( -10.055 -3.117 16.395) 19.484 5.533 ( 1.025 6.949 -8.664) 11.153 5.599 ( -1.617 -1.111 4.846) 5.228 6.183 ( 3.091 2.583 -4.759) 6.235 6.525 ( 1.487 -7.154 -6.644) 9.876 6.704 ( 0.953 -1.713 -3.580) 4.082 6.947 ( 13.892 -14.136 -20.311) 28.379 7.018 ( 30.274 -2.212 10.440) 32.100 7.879 ( -13.349 0.047 17.419) 21.946 8.128 ( -8.263 15.212 18.691) 25.476 8.560 ( 2.935 12.778 -6.833) 14.785 8.624 ( 1.498 5.330 -7.848) 9.604 8.824 ( 3.844 -5.207 -7.017) 9.546 8.990 ( 9.121 -5.285 -1.498) 10.648 9.123 ( -1.969 -2.270 12.888) 13.233 9.511 ( 5.389 1.278 -13.817) 14.886 11.175 ( -9.167 -10.166 27.597) 30.806 11.839 ( 1.614 -2.399 -13.920) 14.217 12.246 ( -15.253 0.075 2.941) 15.534 12.412 ( -16.240 8.219 12.008) 21.805 12.581 ( 3.691 4.731 21.129) 21.965 13.053 ( -6.705 10.733 19.075) 22.891 13.391 ( -3.218 22.423 -12.875) 26.056 13.975 ( 18.326 4.529 -47.332) 50.957 14.570 ( 0.144 3.998 14.001) 14.561 14.917 ( 6.830 -0.912 -21.727) 22.794 17.453 ( -2.112 -20.151 8.547) 21.990 17.562 ( -1.548 -21.188 -5.524) 21.951 18.403 ( -4.521 -2.718 14.162) 15.112 18.708 ( 2.404 -0.053 0.697) 2.504 20.458 ( -12.599 1.228 -0.980) 12.697 21.454 ( 23.900 2.367 -7.195) 25.072 ======================= Grid point 361 (185/227) ======================= q-point: (-0.20 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 1.711 -0.238 8.169) 8.350 2.406 ( -10.384 3.752 -1.195) 11.106 2.782 ( -6.418 -9.283 5.112) 12.390 2.924 ( -8.112 -3.736 2.366) 9.240 3.555 ( 7.471 -3.896 -10.071) 13.131 3.926 ( 6.164 2.196 -16.329) 17.591 4.239 ( -2.795 -0.112 14.359) 14.629 4.319 ( -10.307 4.658 15.573) 19.247 4.580 ( 2.757 3.972 -7.023) 8.527 5.149 ( -1.553 -1.356 3.523) 4.082 5.254 ( -10.001 -0.266 2.749) 10.376 5.446 ( -0.676 -0.562 -1.829) 2.029 5.677 ( -7.656 -9.173 6.895) 13.795 6.093 ( 3.085 7.329 -9.755) 12.585 6.671 ( -1.776 -11.165 2.841) 11.657 6.745 ( 0.161 -5.756 -1.135) 5.869 7.133 ( 5.822 -6.479 -14.089) 16.564 7.395 ( 23.926 6.111 8.876) 26.241 7.826 ( -10.531 0.067 21.108) 23.590 7.895 ( -7.789 12.834 15.086) 21.283 8.299 ( 2.943 13.080 -8.416) 15.829 8.600 ( 2.567 -0.882 -7.532) 8.006 8.925 ( 4.368 -5.200 -7.308) 9.976 9.101 ( -0.499 -0.202 5.739) 5.764 9.257 ( 7.608 -4.009 1.647) 8.756 9.490 ( 7.361 0.122 -16.500) 18.068 11.397 ( -4.748 -9.257 27.098) 29.026 11.740 ( -5.992 2.417 -13.127) 14.631 12.050 ( -4.850 1.034 -8.978) 10.257 12.205 ( -14.491 13.174 26.947) 33.312 12.585 ( -5.152 6.418 15.728) 17.751 12.846 ( -7.309 15.735 12.282) 21.257 13.111 ( -0.824 4.247 1.461) 4.566 13.845 ( 19.632 7.393 -47.073) 51.536 14.598 ( -2.731 -2.312 8.588) 9.304 14.918 ( 9.235 -1.335 -20.466) 22.493 17.767 ( -5.161 -16.605 7.719) 19.025 17.849 ( 1.913 -17.040 0.928) 17.172 18.472 ( -3.901 -3.171 11.578) 12.622 18.740 ( -0.630 -1.199 2.522) 2.863 20.341 ( -2.679 1.965 1.268) 3.557 21.571 ( 13.958 3.203 -15.101) 20.811 ======================= Grid point 362 (186/227) ======================= q-point: (-0.10 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 22.412 0.668 19.043) 29.417 2.274 ( -2.945 0.444 -1.046) 3.157 2.834 ( -0.372 0.658 0.057) 0.758 2.981 ( -6.190 -14.380 -2.436) 15.845 3.609 ( -1.022 -4.162 -10.790) 11.610 3.833 ( 2.107 3.875 -13.871) 14.555 4.148 ( -0.905 10.218 10.350) 14.572 4.343 ( 0.306 8.323 22.346) 23.848 4.593 ( -0.663 -8.520 0.469) 8.559 5.119 ( -8.045 1.358 3.412) 8.844 5.205 ( -3.352 -7.832 -9.705) 12.914 5.458 ( 0.833 0.030 1.721) 1.912 5.730 ( -8.582 -6.348 -1.840) 10.832 5.948 ( 1.884 7.385 -7.244) 10.514 6.797 ( 1.690 -5.712 0.802) 6.010 6.914 ( -3.338 -11.429 6.612) 13.619 7.139 ( -0.562 2.462 -2.206) 3.353 7.411 ( 1.625 9.156 -0.062) 9.299 7.728 ( -6.594 6.340 12.083) 15.155 7.908 ( 0.575 0.804 24.166) 24.186 8.158 ( 4.720 4.234 -11.518) 13.148 8.622 ( 4.171 -1.809 -6.755) 8.143 8.982 ( 0.333 -0.706 -1.887) 2.042 9.101 ( -0.527 0.078 0.500) 0.730 9.336 ( 0.654 0.093 -4.886) 4.930 9.504 ( 8.853 -1.892 -18.101) 20.239 11.508 ( -15.032 3.980 19.189) 24.698 11.719 ( 12.541 -4.518 9.119) 16.150 11.957 ( -6.595 3.982 9.599) 12.308 12.030 ( -3.160 3.311 3.849) 5.980 12.432 ( -12.478 7.829 10.014) 17.812 12.637 ( -5.378 6.498 5.536) 10.089 13.112 ( 3.174 2.100 4.117) 5.606 13.707 ( 15.297 6.342 -35.470) 39.145 14.670 ( -2.263 -6.858 0.250) 7.226 14.943 ( 9.494 -1.390 -19.291) 21.546 17.929 ( -5.139 -7.175 5.536) 10.419 18.130 ( 4.111 -10.586 5.695) 12.704 18.544 ( -3.560 -4.048 10.099) 11.448 18.742 ( -4.558 -0.678 3.347) 5.695 20.358 ( 7.729 2.223 6.280) 10.204 21.503 ( 0.682 3.594 -21.402) 21.712 ======================= Grid point 369 (187/227) ======================= q-point: (-0.40 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -21.781 -0.000 4.066) 22.157 2.654 ( -18.715 -0.000 6.507) 19.814 2.827 ( 1.081 0.000 8.560) 8.628 2.831 ( -17.511 -0.000 10.472) 20.404 3.355 ( 7.559 0.000 -10.203) 12.698 3.879 ( 3.343 0.000 -5.147) 6.138 4.117 ( -1.054 -0.000 16.360) 16.394 4.657 ( -24.804 -0.000 10.773) 27.043 4.783 ( 2.333 0.000 -17.128) 17.286 4.846 ( -3.542 -0.000 20.787) 21.087 5.248 ( -10.186 -0.000 17.317) 20.091 5.602 ( 5.960 0.000 -7.992) 9.970 5.765 ( -9.153 -0.000 -7.472) 11.815 6.225 ( -2.332 -0.000 6.186) 6.611 6.375 ( 6.440 0.000 -23.230) 24.106 6.570 ( 19.326 0.000 -35.047) 40.023 6.695 ( 1.466 0.000 -7.086) 7.236 7.007 ( 40.429 0.000 18.771) 44.574 7.884 ( -11.338 -0.000 17.056) 20.481 8.454 ( -8.742 -0.000 23.295) 24.881 8.629 ( 8.434 0.000 -10.170) 13.212 8.684 ( -0.207 -0.000 -3.011) 3.018 8.880 ( 7.514 0.000 -5.581) 9.359 8.941 ( 1.134 0.000 1.350) 1.763 9.083 ( -5.057 -0.000 8.439) 9.838 9.542 ( 4.743 0.000 -11.281) 12.237 10.955 ( -9.660 -0.000 26.716) 28.408 11.779 ( 6.232 0.000 -21.086) 21.988 12.227 ( -18.584 -0.000 16.350) 24.753 12.537 ( -14.780 -0.000 6.012) 15.956 12.656 ( 3.287 0.000 22.994) 23.228 13.245 ( -5.969 -0.000 13.861) 15.091 13.936 ( -4.369 -0.000 -14.160) 14.819 14.015 ( 14.624 0.000 -39.720) 42.327 14.721 ( 2.517 0.000 13.871) 14.098 14.901 ( 4.214 0.000 -22.272) 22.667 17.039 ( -0.920 -0.000 1.836) 2.054 17.096 ( -0.386 -0.000 -1.861) 1.900 18.359 ( -5.066 -0.000 15.689) 16.487 18.713 ( 2.791 0.000 -0.585) 2.852 20.479 ( -12.695 -0.000 -0.430) 12.703 21.504 ( 25.763 0.000 -7.186) 26.747 ======================= Grid point 370 (188/227) ======================= q-point: (-0.30 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 0.884 -0.122 12.058) 12.090 2.465 ( -17.725 -0.461 0.863) 17.752 2.639 ( -18.208 3.724 17.321) 25.405 2.875 ( -5.110 -1.736 6.053) 8.110 3.400 ( 1.349 -5.378 -6.738) 8.726 3.898 ( 2.460 -2.120 -7.245) 7.939 4.171 ( -2.215 -0.782 7.469) 7.829 4.445 ( -16.054 1.744 12.313) 20.307 4.765 ( 8.122 3.833 -7.754) 11.865 4.984 ( -2.783 -7.195 17.645) 19.258 5.223 ( -11.053 -0.717 15.852) 19.338 5.476 ( -19.357 5.222 -9.938) 22.377 5.617 ( 5.860 1.902 -7.442) 9.661 6.168 ( -3.552 0.730 0.652) 3.685 6.419 ( 5.204 -4.665 -15.401) 16.913 6.673 ( 5.644 -7.567 -19.386) 21.562 6.715 ( 12.831 -6.693 -18.934) 23.831 7.553 ( 36.911 2.802 12.661) 39.123 7.842 ( -11.409 0.780 18.899) 22.089 8.370 ( -8.737 12.617 23.400) 27.983 8.616 ( 4.426 2.577 -7.926) 9.436 8.746 ( 4.282 -4.932 -8.508) 10.726 8.828 ( 3.078 11.428 -6.681) 13.591 9.016 ( 6.390 -2.675 1.436) 7.075 9.106 ( -2.989 -4.183 13.396) 14.349 9.531 ( 6.050 1.320 -12.061) 13.558 11.072 ( -5.972 -8.327 25.073) 27.086 11.742 ( 2.784 -1.209 -18.808) 19.051 12.010 ( -13.923 -1.357 -12.878) 19.014 12.528 ( -8.929 4.542 39.368) 40.623 12.727 ( -6.884 2.344 17.761) 19.192 13.201 ( -6.651 5.487 15.799) 17.999 13.627 ( -6.941 19.551 -9.857) 22.969 13.980 ( 17.774 0.892 -42.830) 46.380 14.709 ( -4.363 6.942 10.076) 12.990 14.884 ( 10.035 -1.027 -19.326) 21.800 17.165 ( -2.337 -14.931 3.892) 15.606 17.227 ( 0.421 -16.878 -2.021) 17.004 18.404 ( -3.929 -1.226 15.797) 16.324 18.725 ( -0.035 0.073 -1.179) 1.182 20.387 ( -2.579 0.795 2.668) 3.795 21.682 ( 18.389 2.607 -15.916) 24.459 ======================= Grid point 371 (189/227) ======================= q-point: (-0.20 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 20.456 -0.700 20.762) 29.155 2.289 ( -12.618 -0.405 -1.268) 12.688 2.535 ( -18.378 -6.067 18.579) 26.828 2.851 ( -6.196 -1.137 2.803) 6.895 3.452 ( -2.835 -6.027 -10.157) 12.146 3.901 ( 1.948 -0.405 -11.230) 11.405 4.191 ( -8.656 -5.993 9.243) 14.010 4.383 ( -1.037 2.840 11.219) 11.620 4.740 ( 8.115 8.240 -0.729) 11.588 5.052 ( -21.033 -0.985 -12.585) 24.530 5.141 ( -0.280 -2.822 9.334) 9.756 5.297 ( -11.100 -6.579 14.937) 19.738 5.598 ( 1.872 2.583 -3.044) 4.410 6.154 ( 2.726 0.483 -5.010) 5.724 6.489 ( 2.041 -8.461 -5.599) 10.349 6.708 ( 2.177 -1.688 -2.693) 3.852 6.954 ( 12.064 -14.730 -24.661) 31.156 7.701 ( 0.161 7.367 0.720) 7.404 7.928 ( 6.818 1.206 20.118) 21.276 8.149 ( -7.562 17.381 23.170) 29.936 8.543 ( 1.796 17.022 -5.932) 18.115 8.604 ( 4.711 1.504 -8.779) 10.077 8.851 ( 5.181 -4.499 -8.248) 10.729 9.113 ( -0.358 -1.868 7.086) 7.337 9.254 ( 2.660 -5.551 3.858) 7.264 9.512 ( 7.241 1.992 -13.904) 15.802 11.323 ( -1.216 -11.172 19.920) 22.871 11.673 ( 2.897 0.087 -11.255) 11.622 11.925 ( -1.090 -5.116 -10.070) 11.348 12.470 ( -11.417 16.608 37.048) 42.175 12.622 ( -15.579 4.291 12.300) 20.308 13.107 ( -8.969 16.051 19.677) 26.931 13.196 ( -2.093 9.368 -3.718) 10.294 13.920 ( 21.410 4.732 -48.463) 53.192 14.583 ( -9.993 3.203 9.730) 14.310 14.928 ( 13.178 0.290 -17.164) 21.641 17.436 ( -5.644 -20.155 5.398) 21.615 17.585 ( 6.293 -22.490 0.583) 23.361 18.463 ( -3.546 -1.395 13.947) 14.458 18.705 ( -2.928 -0.883 -0.643) 3.125 20.424 ( 7.153 1.730 7.453) 10.474 21.653 ( 5.863 5.147 -24.361) 25.580 ======================= Grid point 372 (190/227) ======================= q-point: (-0.10 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -7.467 -2.866 -1.023) 8.063 2.445 ( 13.742 -0.765 24.545) 28.140 2.614 ( -12.726 -15.844 11.335) 23.270 2.815 ( -5.223 -2.206 -0.247) 5.675 3.336 ( -22.381 -5.060 -18.089) 29.219 3.851 ( 4.915 1.806 -11.923) 13.022 4.293 ( -10.763 -8.132 18.603) 22.979 4.384 ( 4.934 1.285 -4.152) 6.575 4.732 ( 11.487 9.121 16.090) 21.772 4.856 ( -5.457 -4.397 -17.019) 18.405 5.189 ( 0.212 0.377 5.355) 5.372 5.407 ( -5.873 -8.813 10.066) 14.611 5.550 ( -3.844 0.665 0.021) 3.901 6.116 ( 9.931 8.344 -11.450) 17.302 6.695 ( 0.146 -13.896 6.249) 15.237 6.773 ( 2.898 -4.522 0.254) 5.377 7.124 ( 5.458 -4.746 -11.609) 13.678 7.535 ( -4.582 8.948 -0.846) 10.089 7.873 ( -6.661 12.237 12.184) 18.508 8.074 ( -0.735 3.563 21.013) 21.326 8.279 ( 3.108 12.749 -8.064) 15.402 8.624 ( 6.323 -0.857 -8.455) 10.593 8.924 ( 2.945 -3.908 -7.536) 8.986 9.139 ( -1.721 2.077 7.345) 7.824 9.316 ( -1.114 0.103 -2.113) 2.391 9.494 ( 7.948 0.096 -15.859) 17.739 11.467 ( -7.242 -2.984 8.882) 11.843 11.827 ( 12.561 -6.571 4.037) 14.740 11.961 ( 0.008 -2.025 -1.736) 2.667 12.183 ( -12.201 18.195 27.384) 35.068 12.389 ( -18.450 4.590 6.058) 19.954 12.773 ( -6.385 14.818 6.115) 17.255 13.219 ( 3.029 1.287 11.122) 11.598 13.800 ( 18.269 7.471 -42.968) 47.284 14.516 ( -9.858 -4.311 4.101) 11.514 14.987 ( 14.094 1.673 -14.060) 19.978 17.686 ( -8.024 -16.297 6.043) 19.144 18.042 ( 14.762 -17.152 1.760) 22.698 18.527 ( -1.842 -2.095 13.125) 13.418 18.689 ( -2.994 -1.583 1.159) 3.579 20.554 ( 10.867 2.127 11.241) 15.779 21.402 ( -8.703 5.584 -28.814) 30.614 ======================= Grid point 380 (191/227) ======================= q-point: (-0.30 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 16.702 0.000 20.421) 26.381 2.263 ( -15.959 -0.000 4.505) 16.583 2.548 ( -20.834 -0.000 20.444) 29.189 2.821 ( -7.776 -0.000 4.717) 9.095 3.288 ( -8.522 -0.000 1.721) 8.694 3.862 ( 0.343 0.000 -6.692) 6.701 4.116 ( -13.665 -0.000 4.823) 14.491 4.405 ( -2.811 -0.000 10.459) 10.830 4.883 ( 11.931 0.000 -3.302) 12.379 4.947 ( -8.748 -0.000 1.278) 8.840 5.108 ( -17.424 -0.000 12.780) 21.608 5.310 ( -9.777 -0.000 6.635) 11.816 5.665 ( 6.154 0.000 -5.372) 8.169 6.193 ( -3.701 -0.000 5.028) 6.243 6.313 ( 9.692 0.000 -22.490) 24.489 6.538 ( 11.232 0.000 -32.010) 33.923 6.738 ( 8.525 0.000 -10.676) 13.662 7.816 ( -6.332 -0.000 9.205) 11.173 7.963 ( 15.050 0.000 12.025) 19.264 8.522 ( -6.442 -0.000 22.113) 23.032 8.662 ( 6.048 0.000 -16.257) 17.346 8.716 ( 2.496 0.000 3.849) 4.588 8.927 ( 5.931 0.000 -5.372) 8.002 9.041 ( -4.714 -0.000 13.561) 14.357 9.126 ( 5.513 0.000 1.160) 5.634 9.554 ( 6.930 0.000 -11.897) 13.768 11.085 ( -2.167 -0.000 24.315) 24.411 11.671 ( 3.971 0.000 -20.326) 20.710 11.816 ( -4.365 -0.000 -9.318) 10.290 12.685 ( -17.547 -0.000 12.658) 21.636 12.734 ( -1.949 -0.000 43.342) 43.385 13.241 ( -6.982 -0.000 13.074) 14.821 13.662 ( -8.847 -0.000 -5.881) 10.624 13.972 ( 19.056 0.000 -40.223) 44.509 14.735 ( -11.974 -0.000 8.518) 14.694 14.944 ( 18.675 0.000 -13.670) 23.144 17.041 ( -0.661 -0.000 2.260) 2.355 17.054 ( -1.511 -0.000 -1.745) 2.308 18.439 ( -3.771 -0.000 16.956) 17.370 18.695 ( -2.623 -0.000 -3.148) 4.098 20.454 ( 7.272 0.000 8.192) 10.954 21.753 ( 8.748 0.000 -26.835) 28.225 ======================= Grid point 381 (192/227) ======================= q-point: (-0.20 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -14.917 -3.019 0.326) 15.223 2.375 ( -14.792 0.018 23.957) 28.156 2.466 ( 6.926 1.632 26.843) 27.770 2.744 ( -10.501 -1.750 1.486) 10.749 3.174 ( -22.614 -4.804 -9.198) 24.881 3.835 ( -7.912 -5.010 1.900) 9.556 3.935 ( -21.256 -4.221 3.405) 21.937 4.483 ( 7.474 0.575 3.160) 8.135 4.755 ( -4.813 -1.203 -22.328) 22.873 5.004 ( 14.415 5.582 9.042) 17.908 5.142 ( -4.013 -3.498 20.271) 20.959 5.264 ( -5.269 2.892 13.617) 14.884 5.703 ( 8.508 4.570 -4.176) 10.522 6.135 ( 0.808 -1.639 1.598) 2.428 6.405 ( 7.787 -3.736 -14.632) 16.990 6.611 ( 7.030 -12.091 -18.706) 23.357 6.796 ( 11.693 -4.207 -18.822) 22.555 7.750 ( -6.965 3.717 4.421) 9.048 8.083 ( 0.220 1.755 10.984) 11.126 8.447 ( -8.484 13.105 22.509) 27.393 8.627 ( 4.906 1.033 -14.537) 15.377 8.723 ( 2.210 4.664 -0.979) 5.253 8.906 ( 6.984 7.590 -5.531) 11.703 9.101 ( -4.716 -4.444 13.862) 15.302 9.220 ( 4.694 -3.103 0.291) 5.634 9.553 ( 6.543 1.725 -12.917) 14.582 11.247 ( -3.195 -7.152 17.379) 19.063 11.639 ( 4.227 -4.117 -14.453) 15.612 11.837 ( 8.982 -2.855 -4.800) 10.577 12.471 ( -25.206 1.941 7.082) 26.254 12.857 ( -1.068 13.105 34.051) 36.502 13.228 ( -4.110 -0.157 13.481) 14.094 13.382 ( -9.014 17.991 1.846) 20.208 13.978 ( 22.344 2.159 -42.835) 48.361 14.551 ( -16.713 5.197 7.432) 19.015 15.114 ( 24.448 6.253 -4.565) 25.645 17.120 ( -3.411 -13.403 1.435) 13.904 17.290 ( 6.414 -24.063 1.475) 24.947 18.493 ( -3.180 -0.384 16.767) 17.070 18.652 ( -2.179 -0.579 -2.357) 3.261 20.613 ( 11.228 1.217 12.280) 16.684 21.569 ( -6.500 3.686 -36.127) 36.892 ======================= Grid point 382 (193/227) ======================= q-point: (-0.10 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -9.385 -6.986 -0.143) 11.701 2.328 ( -17.965 -7.333 22.207) 29.490 2.561 ( -28.668 -2.303 -5.803) 29.340 2.680 ( -6.070 -1.174 18.429) 19.438 2.791 ( -29.216 -4.838 -8.039) 30.686 3.841 ( 5.739 -1.459 -17.692) 18.656 3.969 ( -18.444 -18.434 25.565) 36.518 4.495 ( 6.458 4.860 -11.026) 13.671 4.708 ( 6.923 -2.573 -18.113) 19.560 5.156 ( 8.911 4.166 21.041) 23.227 5.242 ( 1.698 1.236 7.299) 7.595 5.275 ( -1.786 -4.006 13.534) 14.227 5.634 ( 4.655 9.911 -2.506) 11.232 6.288 ( 15.995 0.656 -7.538) 17.694 6.514 ( 3.155 -12.000 -0.118) 12.408 6.756 ( 5.624 -5.201 -2.028) 7.925 6.985 ( 12.547 -12.626 -20.410) 27.081 7.584 ( -7.632 6.885 -2.338) 10.541 8.056 ( -5.609 8.494 15.604) 18.630 8.222 ( -11.029 11.088 20.729) 25.967 8.519 ( 2.803 14.225 -8.071) 16.593 8.645 ( 7.210 2.545 -10.710) 13.159 8.897 ( 4.972 -0.523 -2.988) 5.824 9.175 ( -2.750 -1.387 10.408) 10.854 9.291 ( 0.580 -1.201 -0.570) 1.451 9.520 ( 6.976 2.135 -13.905) 15.703 11.355 ( -5.600 -5.539 4.359) 9.002 11.734 ( -3.606 -9.802 -2.129) 10.659 11.996 ( 4.414 -0.107 1.092) 4.549 12.199 ( -12.342 -1.912 0.259) 12.492 12.611 ( -9.899 26.986 26.185) 38.883 12.989 ( -6.253 17.547 1.999) 18.735 13.328 ( 0.845 -0.209 17.069) 17.091 13.912 ( 20.726 8.644 -44.780) 50.095 14.368 ( -12.863 -1.223 6.444) 14.438 15.211 ( 18.854 10.553 -2.466) 21.747 17.350 ( -4.913 -18.316 3.204) 19.232 17.912 ( 21.182 -27.388 1.118) 34.642 18.577 ( 1.157 -1.283 17.336) 17.422 18.649 ( 0.793 -1.889 -0.071) 2.050 20.764 ( 6.272 2.925 11.039) 13.029 21.141 ( -20.175 3.323 -34.597) 40.188 ======================= Grid point 391 (194/227) ======================= q-point: (-0.20 -0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -14.038 -0.000 2.820) 14.318 2.295 ( -20.965 -0.000 27.035) 34.212 2.514 ( -36.962 -0.000 -13.004) 39.183 2.681 ( -0.073 -0.000 25.832) 25.832 2.702 ( -29.831 -0.000 -5.746) 30.380 3.575 ( -30.111 -0.000 39.826) 49.927 3.816 ( 3.733 0.000 -20.802) 21.134 4.587 ( 8.285 0.000 -4.568) 9.461 4.636 ( 6.275 0.000 -25.203) 25.973 5.154 ( -9.238 -0.000 26.714) 28.266 5.286 ( 16.103 0.000 0.795) 16.123 5.353 ( -0.730 -0.000 14.326) 14.345 5.882 ( 14.762 0.000 9.469) 17.538 6.185 ( -1.476 -0.000 5.205) 5.410 6.342 ( 13.703 0.000 -23.401) 27.118 6.490 ( 14.485 0.000 -26.380) 30.095 6.809 ( 10.537 0.000 -12.169) 16.097 7.701 ( -8.641 -0.000 -1.270) 8.734 8.131 ( -5.171 -0.000 15.715) 16.544 8.565 ( -9.552 -0.000 19.740) 21.930 8.598 ( 5.367 0.000 -17.407) 18.215 8.804 ( 0.264 0.000 6.558) 6.563 9.038 ( 3.705 0.000 0.874) 3.807 9.052 ( -2.657 -0.000 9.174) 9.551 9.267 ( 6.044 0.000 -2.221) 6.439 9.569 ( 6.211 0.000 -13.471) 14.834 11.223 ( -7.481 -0.000 17.511) 19.042 11.524 ( -0.019 -0.000 -17.342) 17.342 11.962 ( 16.062 0.000 -1.323) 16.117 12.194 ( -27.984 -0.000 2.315) 28.079 13.153 ( 4.911 0.000 13.990) 14.827 13.200 ( -7.381 -0.000 10.103) 12.512 13.462 ( -6.336 -0.000 5.611) 8.464 14.054 ( 24.717 0.000 -36.967) 44.469 14.418 ( -19.522 -0.000 5.646) 20.322 15.642 ( 43.629 0.000 11.985) 45.246 17.000 ( -1.393 -0.000 -1.525) 2.066 17.076 ( 1.915 0.000 3.853) 4.302 18.561 ( -0.774 -0.000 19.231) 19.247 18.624 ( 0.453 0.000 -2.029) 2.079 20.822 ( 9.556 0.000 14.754) 17.578 21.201 ( -25.041 -0.000 -44.418) 50.990 ======================= Grid point 392 (195/227) ======================= q-point: (-0.10 -0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -38.052 -2.335 -4.422) 38.379 1.825 ( -31.618 -6.586 -7.149) 33.078 2.204 ( -18.878 -0.140 29.234) 34.799 2.521 ( -13.233 -3.048 -0.219) 13.582 2.754 ( -8.084 1.158 24.679) 25.995 3.629 ( -20.446 -14.643 35.479) 43.488 3.765 ( 3.591 -2.566 -18.437) 18.958 4.557 ( 7.876 3.003 -20.003) 21.707 4.657 ( 6.167 -2.787 -15.072) 16.521 5.198 ( -9.060 -1.950 23.774) 25.517 5.304 ( -2.634 6.057 7.529) 10.016 5.438 ( 7.691 0.515 -2.512) 8.107 5.896 ( 3.158 14.562 -1.675) 14.995 6.310 ( 5.861 -13.327 4.752) 15.315 6.467 ( 9.033 -1.037 -16.500) 18.839 6.635 ( 16.171 -14.206 -25.879) 33.660 6.983 ( 21.246 -2.678 4.335) 21.848 7.552 ( -8.472 3.583 -4.103) 10.072 8.149 ( -6.786 1.134 20.444) 21.571 8.423 ( -12.747 14.940 23.260) 30.442 8.576 ( 7.207 0.557 -16.456) 17.973 8.811 ( 4.319 5.282 1.640) 7.017 9.020 ( 7.517 8.651 -3.121) 11.878 9.118 ( -6.029 -6.126 13.711) 16.182 9.308 ( 3.764 0.542 -3.002) 4.845 9.558 ( 6.747 1.403 -13.204) 14.894 11.234 ( -8.448 -2.724 7.456) 11.593 11.485 ( -9.349 -9.061 -3.752) 13.550 11.905 ( -15.967 1.008 -2.987) 16.275 12.159 ( 11.777 -4.276 -2.806) 12.840 13.004 ( -6.540 17.628 12.794) 22.742 13.165 ( -3.053 10.480 -4.128) 11.670 13.417 ( -1.487 2.083 13.776) 14.012 14.065 ( 13.934 9.022 -33.467) 37.358 14.266 ( -2.736 -1.268 3.617) 4.710 15.803 ( 22.687 32.842 6.213) 40.397 17.069 ( -1.749 -12.410 0.925) 12.567 17.630 ( 20.137 -39.561 -1.042) 44.403 18.636 ( 1.277 -0.090 1.437) 1.924 18.723 ( 11.844 -2.925 17.794) 21.575 20.570 ( -37.903 1.511 -34.712) 51.418 20.983 ( 2.969 -0.010 13.252) 13.580 ======================= Grid point 402 (196/227) ======================= q-point: (-0.10 -0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -23.693 -0.000 12.487) 26.782 1.702 ( -3.845 -0.000 6.671) 7.700 2.172 ( -16.774 -0.000 32.772) 36.815 2.347 ( -11.390 -0.000 -2.215) 11.604 2.788 ( -10.363 -0.000 23.889) 26.039 3.465 ( -20.729 -0.000 37.849) 43.154 3.677 ( 1.680 0.000 -14.993) 15.087 4.558 ( 10.120 0.000 -27.444) 29.250 4.602 ( 0.863 0.000 -11.243) 11.276 5.205 ( -9.261 -0.000 23.468) 25.229 5.340 ( -2.872 -0.000 -14.370) 14.655 5.463 ( -3.843 -0.000 11.027) 11.677 6.013 ( -7.545 -0.000 -6.372) 9.876 6.225 ( -0.877 -0.000 4.444) 4.530 6.414 ( 12.194 0.000 -18.454) 22.119 6.537 ( 16.415 0.000 -40.014) 43.250 7.303 ( 19.499 0.000 15.790) 25.091 7.489 ( -3.864 -0.000 -1.383) 4.104 8.179 ( -8.910 -0.000 21.569) 23.337 8.571 ( -9.892 -0.000 26.578) 28.359 8.602 ( 12.136 0.000 -16.098) 20.160 8.907 ( 2.994 0.000 5.424) 6.195 9.033 ( -9.087 -0.000 17.598) 19.805 9.221 ( 13.723 0.000 -7.095) 15.448 9.334 ( 2.760 0.000 -4.126) 4.964 9.575 ( 7.302 0.000 -13.798) 15.611 11.173 ( -10.933 -0.000 14.569) 18.215 11.244 ( -10.995 -0.000 -3.175) 11.444 11.762 ( -3.675 -0.000 -7.838) 8.657 12.198 ( 4.117 0.000 -6.299) 7.525 13.122 ( -7.186 -0.000 7.044) 10.062 13.192 ( 0.182 0.000 -3.544) 3.549 13.484 ( -1.174 -0.000 4.152) 4.314 14.023 ( -9.931 -0.000 -6.955) 12.124 14.412 ( 28.644 0.000 -14.222) 31.980 16.517 ( 13.094 0.000 -11.590) 17.487 16.967 ( -0.225 -0.000 -1.036) 1.060 17.205 ( -2.268 -0.000 -4.013) 4.609 18.669 ( 3.297 0.000 0.463) 3.330 18.894 ( 1.401 0.000 6.225) 6.380 20.100 ( -8.167 -0.000 -2.225) 8.465 21.056 ( -4.543 -0.000 13.608) 14.346 ======================= Grid point 403 (197/227) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -6.068 -0.000 -7.349) 9.530 1.967 ( 6.068 0.000 7.349) 9.530 2.757 ( -32.840 -0.000 -9.445) 34.172 2.757 ( 32.840 0.000 9.445) 34.172 2.903 ( 10.993 0.000 -28.450) 30.500 2.903 ( -10.993 -0.000 28.450) 30.500 4.134 ( -11.579 -0.000 0.655) 11.597 4.134 ( 11.579 0.000 -0.655) 11.597 4.414 ( -2.727 -0.000 -26.710) 26.849 4.414 ( 2.727 0.000 26.710) 26.849 5.635 ( 1.305 0.000 -9.727) 9.814 5.635 ( -1.305 -0.000 9.727) 9.814 5.773 ( 16.594 0.000 -34.709) 38.472 5.773 ( -16.594 -0.000 34.709) 38.472 6.280 ( 8.802 0.000 -8.327) 12.117 6.280 ( -8.802 -0.000 8.327) 12.117 7.578 ( -8.428 -0.000 1.428) 8.548 7.578 ( 8.428 0.000 -1.428) 8.548 8.479 ( 13.925 0.000 -16.398) 21.513 8.479 ( -13.925 -0.000 16.398) 21.513 9.123 ( 2.747 0.000 -13.629) 13.904 9.123 ( -2.747 -0.000 13.629) 13.904 9.189 ( 4.477 0.000 -13.909) 14.612 9.189 ( -4.477 -0.000 13.909) 14.612 9.331 ( 8.963 0.000 -15.264) 17.701 9.331 ( -8.963 -0.000 15.264) 17.701 11.264 ( 13.554 0.000 -8.838) 16.181 11.264 ( -13.554 -0.000 8.838) 16.181 11.778 ( -8.663 -0.000 -9.712) 13.015 11.778 ( 8.663 0.000 9.712) 13.015 13.122 ( 1.697 0.000 -2.543) 3.057 13.122 ( -1.697 -0.000 2.543) 3.057 13.626 ( 1.366 0.000 -10.635) 10.722 13.626 ( -1.366 -0.000 10.635) 10.722 15.320 ( -40.297 -0.000 -18.542) 44.358 15.320 ( 40.297 0.000 18.542) 44.358 16.965 ( -2.616 -0.000 0.392) 2.645 16.965 ( 2.616 0.000 -0.392) 2.645 18.732 ( 7.559 0.000 -4.515) 8.805 18.732 ( -7.559 -0.000 4.515) 8.805 20.971 ( -33.190 -0.000 6.350) 33.791 20.971 ( 33.190 0.000 -6.350) 33.791 ======================= Grid point 405 (198/227) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -4.594 -3.756 -6.381) 8.714 2.078 ( -12.520 -4.446 -9.415) 16.284 2.224 ( -18.858 -0.954 -15.149) 24.208 2.803 ( 8.179 -0.454 -27.782) 28.964 2.979 ( 0.435 1.101 20.640) 20.674 3.153 ( 18.272 -3.075 -2.725) 18.728 4.044 ( -13.177 -1.683 16.810) 21.426 4.229 ( 1.242 0.125 6.466) 6.585 4.396 ( 7.175 -7.471 -16.879) 19.804 4.732 ( 19.814 -4.095 21.389) 29.442 5.533 ( -3.243 6.556 2.441) 7.711 5.613 ( 5.889 7.572 0.546) 9.608 5.752 ( 10.260 1.271 -26.797) 28.722 5.823 ( -9.747 -2.536 30.354) 31.981 6.355 ( -7.704 -14.584 6.547) 17.746 6.475 ( 8.989 -15.302 -8.553) 19.701 7.465 ( -6.994 3.305 0.998) 7.799 7.620 ( 4.989 3.344 -4.349) 7.415 8.380 ( -16.050 1.484 15.558) 22.402 8.524 ( 12.120 2.047 -16.857) 20.863 8.891 ( -12.661 18.038 12.300) 25.239 8.925 ( 5.630 18.507 -19.774) 27.662 9.146 ( -3.361 0.251 -1.952) 3.895 9.217 ( 0.322 0.510 4.847) 4.884 9.361 ( -8.110 -3.182 12.183) 14.977 9.396 ( 6.911 -3.147 -13.652) 15.622 11.202 ( -11.131 -5.851 2.429) 12.807 11.426 ( 10.315 -7.907 -6.406) 14.490 11.692 ( -2.151 -2.362 -4.894) 5.844 11.964 ( 7.989 -3.074 11.581) 14.401 13.052 ( -4.545 7.859 6.666) 11.263 13.085 ( 1.873 4.905 -3.359) 6.233 13.519 ( -5.277 9.351 4.499) 11.642 13.585 ( -0.414 8.146 6.098) 10.184 14.771 ( -21.990 5.519 -15.517) 27.473 15.618 ( 28.008 24.548 12.019) 39.135 17.112 ( -2.767 -18.406 -2.592) 18.792 17.324 ( 10.068 -30.290 11.165) 33.816 18.682 ( -6.517 -0.934 4.993) 8.263 18.802 ( 7.958 0.452 -1.319) 8.079 20.571 ( -34.862 0.246 -3.086) 34.999 21.227 ( 22.481 1.787 -13.038) 26.050 ======================= Grid point 406 (199/227) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -15.019 -3.562 -22.011) 26.883 1.970 ( -1.302 -7.680 -4.991) 9.251 2.371 ( 11.895 -4.984 2.007) 13.052 2.791 ( 9.320 -3.536 -24.029) 26.015 3.090 ( 7.338 -1.732 1.557) 7.699 3.346 ( 7.307 -4.846 1.427) 8.884 4.056 ( -10.985 -3.687 21.766) 24.658 4.260 ( -3.387 -1.856 5.684) 6.872 4.546 ( 6.660 -8.148 -8.614) 13.600 5.087 ( 10.004 -3.859 14.540) 18.067 5.427 ( -2.840 3.921 2.936) 5.662 5.578 ( 9.274 7.101 -1.973) 11.846 5.690 ( 6.555 3.277 -16.710) 18.246 5.952 ( -1.572 -3.862 21.393) 21.795 6.585 ( -7.767 -18.993 9.345) 22.547 6.799 ( 6.868 -17.995 -9.660) 21.547 7.338 ( -2.417 6.470 2.385) 7.306 7.507 ( -7.410 4.877 -10.423) 13.686 8.247 ( -13.665 3.494 15.664) 21.078 8.471 ( 6.719 20.719 -8.819) 23.499 8.487 ( -9.500 16.510 8.613) 20.905 8.583 ( 3.959 8.737 -20.759) 22.868 9.093 ( -4.852 -0.912 -2.597) 5.579 9.228 ( -0.117 0.854 3.455) 3.561 9.348 ( -6.817 0.411 7.727) 10.313 9.422 ( 5.228 0.317 -10.892) 12.086 11.224 ( -2.576 -6.527 -0.616) 7.044 11.656 ( 6.435 -10.484 -0.743) 12.324 11.740 ( 6.157 -2.626 -2.901) 7.295 12.153 ( 1.116 -6.135 10.234) 11.984 12.846 ( -1.318 15.459 1.739) 15.612 12.975 ( 5.851 10.660 -8.375) 14.765 13.239 ( -22.171 15.094 31.860) 41.647 13.515 ( 4.868 4.226 -3.977) 7.575 14.528 ( -0.540 0.063 -16.637) 16.646 15.456 ( 9.310 22.478 -0.066) 24.330 17.384 ( -1.310 -20.182 -4.096) 20.635 17.984 ( 2.441 -25.292 18.359) 31.348 18.674 ( -3.976 -2.944 3.091) 5.834 18.888 ( 4.007 -0.154 7.429) 8.443 20.224 ( -17.534 -1.462 -6.789) 18.859 21.299 ( 10.419 2.700 -15.983) 19.269 ======================= Grid point 407 (200/227) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 31.861 -5.078 3.164) 32.418 2.079 ( 0.188 -7.864 -0.544) 7.885 2.585 ( 9.897 -5.055 0.051) 11.113 2.873 ( 9.147 -6.347 -16.991) 20.314 3.195 ( 12.010 -3.312 -20.874) 24.309 3.524 ( 0.094 -7.403 12.803) 14.789 4.123 ( -8.903 -3.729 21.348) 23.429 4.279 ( -7.124 -3.775 10.512) 13.248 4.683 ( 5.798 -6.041 -9.884) 12.954 5.233 ( -2.273 -2.523 8.927) 9.551 5.369 ( -1.416 1.951 1.050) 2.630 5.542 ( 1.707 5.171 -1.235) 5.584 5.632 ( 8.009 5.843 -12.999) 16.348 6.067 ( -3.398 -1.071 8.017) 8.773 6.839 ( -6.307 -15.814 8.388) 18.979 7.022 ( -2.234 -9.165 -9.522) 13.404 7.226 ( -11.926 0.640 -9.602) 15.324 7.266 ( 0.889 5.485 4.023) 6.860 8.088 ( -2.958 12.922 6.293) 14.674 8.110 ( 2.559 19.279 -5.724) 20.273 8.271 ( -8.353 3.059 18.119) 20.185 8.513 ( 7.447 1.981 -16.880) 18.555 9.030 ( -5.613 -0.670 -2.979) 6.390 9.226 ( -0.957 0.436 1.517) 1.846 9.286 ( -5.708 2.218 4.961) 7.882 9.392 ( 4.288 3.540 -8.987) 10.568 11.340 ( 4.560 -5.657 1.848) 7.497 11.859 ( 11.968 -1.163 -4.599) 12.874 11.870 ( 5.253 -6.316 3.093) 8.779 12.277 ( -7.882 -8.099 7.507) 13.568 12.604 ( 5.169 14.102 -7.941) 16.990 12.785 ( 5.527 17.085 -2.933) 18.194 12.974 ( -22.417 5.967 30.102) 38.004 13.507 ( 3.921 1.835 -1.144) 4.478 14.508 ( 8.839 -1.013 -15.191) 17.605 15.190 ( -2.979 13.366 -3.920) 14.244 17.661 ( 2.570 -15.971 -3.489) 16.549 18.294 ( -8.468 -11.435 9.941) 17.357 18.701 ( -0.188 -2.043 -1.106) 2.331 18.916 ( -13.948 -2.938 9.591) 17.180 20.225 ( 11.909 -1.945 6.268) 13.597 21.229 ( 0.249 1.971 -17.186) 17.301 ======================= Grid point 408 (201/227) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 0.811 -4.930 0.493) 5.021 2.378 ( 40.893 -4.070 18.708) 45.153 2.753 ( 5.063 -4.350 1.699) 6.888 2.976 ( 9.070 -2.163 -12.071) 15.253 3.234 ( 3.642 -5.002 -24.781) 25.541 3.672 ( -3.287 -4.196 8.739) 10.236 4.158 ( -6.497 -1.043 12.367) 14.008 4.408 ( -0.489 -9.352 19.761) 21.868 4.770 ( 3.957 -4.587 -9.184) 11.002 5.191 ( -13.650 3.315 -3.948) 14.591 5.330 ( -1.518 2.024 2.522) 3.573 5.424 ( 3.076 6.683 -11.105) 13.321 5.555 ( -1.679 1.975 2.068) 3.316 5.976 ( -7.114 3.081 -3.042) 8.327 6.941 ( -7.853 -1.538 -2.638) 8.426 7.003 ( -1.445 -6.432 1.727) 6.815 7.166 ( -3.188 -3.630 -1.845) 5.171 7.264 ( 4.317 4.973 2.312) 6.980 7.912 ( 5.422 5.466 -10.543) 13.054 7.939 ( -4.574 5.413 10.056) 12.302 8.303 ( -3.948 -0.971 18.387) 18.831 8.484 ( 6.763 1.752 -13.365) 15.081 8.963 ( -4.127 -0.300 -2.697) 4.939 9.202 ( -3.012 1.654 3.353) 4.801 9.224 ( -2.684 0.428 0.842) 2.846 9.323 ( 3.352 4.529 -6.833) 8.857 11.496 ( 4.386 -4.531 3.551) 7.237 11.977 ( 12.452 1.982 -3.542) 13.097 11.987 ( 4.022 -0.010 0.317) 4.035 12.317 ( -9.725 -6.826 4.352) 12.653 12.470 ( 6.838 4.761 -12.347) 14.896 12.587 ( -2.008 11.211 9.407) 14.772 12.834 ( -11.270 2.608 13.588) 17.845 13.524 ( 2.239 0.685 0.546) 2.405 14.582 ( 12.580 -1.479 -11.140) 16.869 14.937 ( -10.356 6.786 -1.243) 12.443 17.898 ( 6.018 -8.856 -2.265) 10.944 18.356 ( -9.546 -5.979 5.315) 12.455 18.712 ( 3.322 1.564 -3.166) 4.849 18.803 ( -16.189 -2.849 3.852) 16.883 20.504 ( 18.145 -0.160 16.393) 24.454 21.074 ( -7.175 0.424 -17.389) 18.816 ======================= Grid point 409 (202/227) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -0.000 0.000 0.000) 0.000 2.776 ( 0.000 0.000 0.000) 0.000 2.837 ( -0.000 0.000 -0.000) 0.000 3.022 ( -0.000 0.000 -0.000) 0.000 3.176 ( 0.000 0.000 0.000) 0.000 3.687 ( -0.000 0.000 0.000) 0.000 4.168 ( 0.000 0.000 0.000) 0.000 4.739 ( -0.000 0.000 -0.000) 0.000 4.807 ( -0.000 0.000 -0.000) 0.000 4.819 ( 0.000 -0.000 0.000) 0.000 5.309 ( -0.000 0.000 0.000) 0.000 5.378 ( 0.000 -0.000 -0.000) 0.000 5.542 ( -0.000 0.000 -0.000) 0.000 5.888 ( -0.000 0.000 0.000) 0.000 6.906 ( -0.000 0.000 0.000) 0.000 7.051 ( -0.000 0.000 0.000) 0.000 7.177 ( -0.000 0.000 0.000) 0.000 7.240 ( -0.000 0.000 0.000) 0.000 7.895 ( 0.000 -0.000 -0.000) 0.000 7.896 ( -0.000 0.000 0.000) 0.000 8.349 ( 0.000 0.000 -0.000) 0.000 8.472 ( -0.000 0.000 0.000) 0.000 8.932 ( -0.000 0.000 0.000) 0.000 9.175 ( -0.000 0.000 0.000) 0.000 9.210 ( -0.000 0.000 0.000) 0.000 9.282 ( -0.000 0.000 0.000) 0.000 11.577 ( -0.000 0.000 0.000) 0.000 11.996 ( -0.000 0.000 0.000) 0.000 12.026 ( -0.000 0.000 0.000) 0.000 12.335 ( -0.000 0.000 0.000) 0.000 12.444 ( -0.000 0.000 0.000) 0.000 12.507 ( 0.000 0.000 -0.000) 0.000 12.782 ( -0.000 0.000 0.000) 0.000 13.534 ( -0.000 0.000 0.000) 0.000 14.704 ( -0.000 0.000 0.000) 0.000 14.751 ( 0.000 -0.000 -0.000) 0.000 18.010 ( 0.000 0.000 -0.000) 0.000 18.355 ( -0.000 0.000 0.000) 0.000 18.696 ( -0.000 0.000 0.000) 0.000 18.746 ( -0.000 0.000 0.000) 0.000 20.713 ( 0.000 0.000 0.000) 0.000 20.926 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 416 (203/227) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -14.693 -0.000 -27.436) 31.122 1.831 ( 1.826 0.000 -7.338) 7.562 2.285 ( 12.583 0.000 4.001) 13.204 2.769 ( 12.716 0.000 -29.520) 32.143 3.115 ( -4.165 -0.000 31.339) 31.614 3.235 ( 14.803 0.000 -22.054) 26.562 3.994 ( -10.812 -0.000 19.633) 22.413 4.308 ( 12.982 0.000 -26.319) 29.347 4.310 ( -5.032 -0.000 20.764) 21.365 5.019 ( 12.465 0.000 18.810) 22.565 5.589 ( 2.427 0.000 -8.237) 8.587 5.713 ( -13.588 -0.000 30.541) 33.427 5.782 ( 14.776 0.000 -31.826) 35.088 5.876 ( 3.734 0.000 21.640) 21.960 6.183 ( -6.228 -0.000 6.491) 8.996 6.373 ( 7.307 0.000 -11.346) 13.495 7.446 ( -2.234 -0.000 2.864) 3.632 7.594 ( -9.095 -0.000 -13.490) 16.269 8.274 ( -17.581 -0.000 18.048) 25.196 8.568 ( 9.910 0.000 -18.532) 21.015 8.950 ( -4.125 -0.000 -11.180) 11.916 9.005 ( -17.917 -0.000 15.708) 23.828 9.130 ( 6.744 0.000 -19.333) 20.475 9.242 ( -1.213 -0.000 5.151) 5.292 9.297 ( -8.004 -0.000 15.633) 17.563 9.355 ( 7.813 0.000 -15.721) 17.556 11.090 ( -7.125 -0.000 12.279) 14.197 11.427 ( 10.953 0.000 -12.166) 16.370 11.702 ( 9.738 0.000 -0.864) 9.777 12.049 ( 0.903 0.000 9.018) 9.063 13.086 ( -10.695 -0.000 13.867) 17.512 13.116 ( -1.277 -0.000 4.604) 4.778 13.567 ( 1.366 0.000 -5.136) 5.314 13.709 ( -3.305 -0.000 13.181) 13.589 14.538 ( -6.355 -0.000 -17.746) 18.850 16.245 ( 8.681 0.000 15.469) 17.739 16.948 ( -0.081 -0.000 0.905) 0.909 17.118 ( 7.807 0.000 4.099) 8.818 18.621 ( -7.267 -0.000 5.752) 9.268 18.901 ( 6.081 0.000 2.392) 6.535 20.200 ( -18.758 -0.000 -7.637) 20.253 21.350 ( 10.723 0.000 -17.795) 20.776 ======================= Grid point 417 (204/227) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 36.357 -1.827 -2.120) 36.465 1.873 ( 5.276 -3.948 -5.104) 8.335 2.480 ( 14.376 -1.992 2.319) 14.697 2.772 ( 14.975 0.344 -27.183) 31.037 3.180 ( 4.944 2.566 0.654) 5.608 3.323 ( 2.447 -5.368 1.822) 6.174 4.010 ( -7.786 -2.696 19.563) 21.227 4.271 ( 0.836 2.963 1.090) 3.266 4.449 ( 4.186 -7.612 -3.013) 9.195 5.175 ( -1.164 -0.987 13.442) 13.528 5.487 ( -2.569 6.731 0.920) 7.263 5.708 ( 10.757 4.817 -26.168) 28.700 5.772 ( -2.708 -0.394 13.219) 13.499 6.012 ( -0.800 1.126 20.137) 20.184 6.276 ( -3.533 -14.176 3.065) 14.928 6.528 ( 3.980 -15.474 -10.525) 19.133 7.253 ( -29.301 0.871 -18.930) 34.895 7.449 ( 3.386 3.500 5.875) 7.631 8.216 ( -10.172 0.123 20.483) 22.870 8.556 ( 6.864 1.026 -19.389) 20.593 8.720 ( -9.807 14.913 9.037) 20.006 8.817 ( 0.406 12.796 -10.603) 16.623 9.020 ( 0.309 4.916 -9.951) 11.104 9.240 ( -2.841 0.261 3.739) 4.703 9.309 ( -7.437 -1.148 13.092) 15.101 9.404 ( 6.873 -2.932 -13.624) 15.538 11.145 ( -2.823 -4.604 13.405) 14.452 11.555 ( 8.291 -8.555 -8.795) 14.808 11.883 ( 21.247 0.930 0.323) 21.270 12.077 ( -7.387 -3.828 5.600) 10.029 13.001 ( -15.042 3.944 22.258) 27.152 13.080 ( -0.268 6.638 4.663) 8.117 13.477 ( -0.693 12.740 2.000) 12.915 13.643 ( 2.321 7.999 1.097) 8.401 14.482 ( 9.706 -0.460 -15.787) 18.537 15.896 ( -9.591 30.190 -3.889) 31.915 17.083 ( 1.031 -14.909 -0.481) 14.952 17.540 ( -8.459 -32.929 7.891) 34.902 18.589 ( -6.485 -2.194 5.725) 8.924 18.907 ( -5.023 0.756 -1.337) 5.252 20.184 ( 15.181 -0.643 7.563) 16.973 21.294 ( -0.443 1.450 -19.079) 19.139 ======================= Grid point 418 (205/227) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 6.113 -5.572 -0.425) 8.282 2.268 ( 47.322 -2.697 13.951) 49.409 2.662 ( 12.750 -0.417 -3.058) 13.118 2.843 ( 16.397 -3.253 -17.692) 24.340 3.167 ( 6.207 0.161 -24.282) 25.063 3.462 ( -4.344 -6.626 17.868) 19.545 4.121 ( -1.514 -3.736 22.698) 23.053 4.235 ( -4.114 1.050 6.826) 8.039 4.586 ( 4.427 -6.777 -9.347) 12.365 5.197 ( -7.807 -1.246 7.763) 11.080 5.378 ( -1.338 3.144 -2.843) 4.445 5.597 ( 0.945 5.526 -10.079) 11.534 5.762 ( 6.051 6.138 -14.689) 17.031 6.004 ( -16.211 -1.063 16.677) 23.282 6.529 ( -3.932 -18.966 4.819) 19.960 6.757 ( 0.351 -14.899 -9.534) 17.692 6.880 ( -20.743 -5.693 -8.234) 23.032 7.467 ( 6.130 6.146 7.723) 11.619 8.231 ( -5.033 1.798 17.903) 18.684 8.400 ( -5.691 16.994 6.841) 19.183 8.438 ( 1.038 13.282 -11.129) 17.360 8.585 ( 10.010 9.691 -15.133) 20.570 8.919 ( -4.845 -0.437 -5.188) 7.112 9.217 ( -3.043 -0.033 1.991) 3.637 9.287 ( -6.842 1.599 10.923) 12.988 9.429 ( 5.393 0.616 -10.834) 12.118 11.290 ( -0.397 -7.330 10.149) 12.525 11.758 ( 4.707 -10.776 -3.898) 12.388 11.990 ( -10.333 -3.010 1.739) 10.901 12.197 ( 22.543 0.151 0.885) 22.561 12.855 ( -7.261 10.959 14.632) 19.670 12.963 ( -2.906 8.634 7.247) 11.641 13.195 ( -2.368 21.663 8.889) 23.535 13.585 ( 6.269 4.232 -7.406) 10.586 14.553 ( 14.268 0.028 -13.058) 19.341 15.300 ( -15.912 18.129 -11.110) 26.557 17.398 ( 4.524 -20.262 -1.718) 20.832 17.882 ( -17.138 -25.399 4.425) 30.958 18.599 ( -6.272 -4.233 5.311) 9.244 18.803 ( -4.176 1.310 -5.907) 7.352 20.519 ( 23.031 0.890 21.861) 31.767 21.112 ( -8.662 1.554 -17.757) 19.818 ======================= Grid point 419 (206/227) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 5.884 -4.381 1.259) 7.443 2.742 ( 9.872 -1.474 1.008) 10.032 2.784 ( 11.029 -2.123 2.993) 11.624 3.010 ( -8.673 -0.236 -28.385) 29.681 3.087 ( 23.620 -3.581 -1.330) 23.927 3.599 ( -4.662 -5.391 13.174) 14.978 4.171 ( -5.700 1.420 14.871) 15.989 4.443 ( 15.889 -8.097 19.828) 26.668 4.663 ( 3.645 -5.716 -14.280) 15.807 5.044 ( -15.631 4.662 -9.790) 19.024 5.320 ( -0.639 0.811 -4.417) 4.536 5.462 ( -1.906 2.265 -4.613) 5.481 5.629 ( 0.227 5.822 0.187) 5.829 5.945 ( -3.374 0.864 2.563) 4.325 6.760 ( -4.769 -7.241 -0.565) 8.689 6.820 ( -4.911 -14.264 4.819) 15.837 6.976 ( -1.193 -13.987 -6.281) 15.379 7.458 ( 4.451 7.888 5.898) 10.808 8.097 ( -4.196 13.716 9.976) 17.471 8.107 ( 5.206 16.628 -11.238) 20.733 8.333 ( -5.310 0.049 16.123) 16.975 8.509 ( 5.811 2.799 -17.141) 18.314 8.870 ( -4.223 -2.784 -1.883) 5.397 9.199 ( -2.234 -0.111 1.763) 2.848 9.233 ( -5.509 2.399 10.058) 11.716 9.394 ( 4.332 3.696 -9.512) 11.086 11.452 ( -0.625 -6.697 8.248) 10.643 11.885 ( -19.241 -5.528 1.221) 20.056 11.933 ( 2.117 -7.562 -1.758) 8.047 12.447 ( 25.570 4.562 -2.571) 26.101 12.658 ( 5.402 14.275 -5.125) 16.100 12.848 ( 1.098 7.119 -1.232) 7.307 12.883 ( -11.451 17.946 27.286) 34.608 13.555 ( 4.799 1.924 -10.313) 11.536 14.658 ( 14.038 -0.666 -10.535) 17.564 14.876 ( -16.450 6.780 -4.214) 18.285 17.761 ( 5.670 -16.531 -1.382) 17.531 18.059 ( -10.145 -17.770 0.161) 20.463 18.615 ( -7.020 -3.791 3.843) 8.856 18.746 ( 2.338 0.259 -4.506) 5.083 20.761 ( -0.465 2.891 -0.136) 2.931 20.946 ( 1.831 0.926 7.610) 7.881 ======================= Grid point 420 (207/227) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 2.941 -0.468 0.441) 3.010 2.510 ( -29.449 3.850 -23.893) 38.118 2.857 ( 1.672 1.620 -2.998) 3.796 2.919 ( -1.885 -3.937 6.071) 7.477 3.360 ( 8.787 -0.018 11.096) 14.154 3.664 ( -0.865 -2.973 1.972) 3.671 4.191 ( -1.156 0.195 9.292) 9.365 4.683 ( -3.775 3.031 -13.782) 14.608 4.755 ( 0.379 -1.792 -15.932) 16.037 4.924 ( 20.449 -8.877 16.502) 27.736 5.274 ( 2.135 1.652 -8.352) 8.777 5.429 ( -2.573 1.128 5.406) 6.093 5.583 ( -0.942 3.326 8.366) 9.052 5.933 ( 5.906 1.193 -2.285) 6.444 6.803 ( -3.179 -6.107 -0.040) 6.885 7.004 ( -0.465 -8.016 2.138) 8.309 7.111 ( -0.297 -6.798 -3.068) 7.464 7.375 ( 1.189 9.165 3.179) 9.774 7.930 ( 5.707 5.990 -10.082) 13.042 7.945 ( -4.407 5.804 10.112) 12.465 8.337 ( -1.144 0.743 -3.980) 4.207 8.442 ( -2.665 -0.457 -2.720) 3.835 8.898 ( -0.899 -4.026 2.147) 4.651 9.173 ( -4.647 0.869 8.538) 9.760 9.227 ( -0.263 -0.444 3.937) 3.971 9.322 ( 3.586 4.355 -8.539) 10.235 11.534 ( -6.202 -2.140 5.743) 8.719 11.786 ( -14.486 -6.647 4.290) 16.505 12.012 ( 0.287 -1.440 -0.950) 1.749 12.490 ( 10.161 7.848 -17.259) 21.511 12.596 ( 16.596 7.848 -4.438) 18.887 12.627 ( -3.956 13.516 11.656) 18.281 12.815 ( -1.888 1.673 11.856) 12.122 13.517 ( 1.880 0.411 -11.446) 11.606 14.636 ( -13.175 2.021 5.398) 14.381 14.790 ( 10.359 -2.788 -6.433) 12.509 17.944 ( -4.635 -6.124 2.480) 8.071 18.283 ( 7.765 -12.347 -7.921) 16.597 18.613 ( -4.517 -3.019 2.623) 6.033 18.799 ( 6.994 -2.277 -2.145) 7.662 20.537 ( -14.539 1.955 -12.903) 19.536 21.098 ( 5.578 1.870 20.336) 21.170 ======================= Grid point 421 (208/227) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -25.084 5.465 -10.435) 27.712 2.294 ( 4.909 4.982 -2.274) 7.355 2.772 ( -4.272 5.538 -0.908) 7.053 2.977 ( -5.134 -1.214 12.944) 13.978 3.387 ( -6.050 6.914 18.384) 20.552 3.681 ( -0.718 0.208 -7.336) 7.374 4.225 ( 8.051 2.062 -4.752) 9.573 4.478 ( 4.440 7.448 -17.100) 19.173 4.786 ( -1.949 -2.335 -1.248) 3.287 5.224 ( -0.891 -5.836 -2.813) 6.540 5.281 ( 8.097 -1.665 -1.115) 8.341 5.398 ( -4.750 1.488 7.941) 9.372 5.577 ( 1.502 1.653 2.871) 3.637 6.025 ( 5.171 -2.009 2.004) 5.899 6.893 ( -0.451 -7.815 0.590) 7.850 7.092 ( 1.701 -1.336 1.792) 2.809 7.168 ( 1.357 -3.040 -3.918) 5.142 7.266 ( -1.515 4.479 2.063) 5.159 7.896 ( -5.112 1.618 11.213) 12.429 7.904 ( 5.481 -0.147 -10.769) 12.085 8.265 ( 6.405 0.776 -20.860) 21.835 8.447 ( -6.467 -2.127 13.311) 14.951 8.979 ( 1.222 -3.748 2.470) 4.653 9.183 ( -2.335 -2.087 6.394) 7.120 9.255 ( -1.298 0.530 4.165) 4.395 9.275 ( 2.171 -1.065 -5.423) 5.938 11.463 ( -7.292 2.264 5.815) 9.598 11.804 ( -5.760 -4.424 5.857) 9.330 11.989 ( -1.302 2.270 -0.610) 2.687 12.427 ( 4.034 2.051 -8.023) 9.211 12.494 ( -4.812 2.646 7.867) 9.594 12.568 ( 9.572 9.288 -11.263) 17.457 12.879 ( 8.094 -1.035 -0.811) 8.200 13.469 ( -0.945 -0.828 -9.042) 9.129 14.537 ( -9.421 0.705 13.079) 16.134 14.918 ( 4.980 -5.315 -4.356) 8.487 17.944 ( -3.256 1.563 4.168) 5.516 18.427 ( 5.523 -2.017 -10.428) 11.971 18.649 ( -2.581 -3.886 3.878) 6.067 18.941 ( 11.595 -3.706 -9.946) 15.720 20.304 ( -7.947 2.966 -5.226) 9.964 21.200 ( -2.105 0.300 16.941) 17.074 ======================= Grid point 422 (209/227) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 15.816 5.292 12.100) 20.605 2.236 ( 4.791 7.920 -0.407) 9.265 2.587 ( -8.345 8.033 0.472) 11.593 2.968 ( -5.469 3.641 13.842) 15.322 3.253 ( -12.562 8.506 20.448) 25.461 3.538 ( -4.053 6.169 -13.797) 15.647 4.223 ( 11.734 6.410 -14.945) 20.053 4.383 ( 8.258 4.940 -11.519) 15.009 4.745 ( -5.059 3.685 6.552) 9.061 5.235 ( -4.835 4.753 -9.441) 11.623 5.289 ( -1.507 -6.287 -5.266) 8.338 5.401 ( -8.422 -4.179 8.672) 12.790 5.609 ( 3.544 -0.834 1.927) 4.120 6.029 ( -6.539 0.346 -3.500) 7.424 7.015 ( 2.427 -1.355 -1.448) 3.134 7.110 ( 4.349 -0.796 -3.822) 5.844 7.169 ( -3.219 2.242 3.275) 5.111 7.304 ( 0.172 -7.584 2.898) 8.120 7.910 ( -4.359 -5.168 10.079) 12.137 7.937 ( 3.880 -5.092 -9.242) 11.243 8.291 ( 16.078 -1.148 -18.581) 24.598 8.489 ( -6.559 -2.395 16.532) 17.946 9.062 ( 2.427 -3.048 0.370) 3.914 9.211 ( 0.020 -0.325 -4.020) 4.034 9.267 ( -3.163 -3.874 7.493) 9.009 9.328 ( -0.648 -4.357 0.852) 4.486 11.414 ( 2.622 5.403 9.882) 11.564 11.814 ( -1.473 0.739 1.593) 2.292 11.913 ( -3.162 4.481 0.813) 5.544 12.398 ( -4.002 7.667 -8.088) 11.841 12.448 ( -1.662 -3.838 6.448) 7.685 12.529 ( 1.495 -8.338 -8.564) 12.046 13.018 ( 15.611 -3.258 -11.188) 19.480 13.430 ( -3.780 -1.972 -3.528) 5.534 14.533 ( -3.347 0.174 15.867) 16.217 15.013 ( -3.386 -7.976 -3.932) 9.515 17.878 ( 1.275 8.792 6.532) 11.027 18.392 ( 0.759 3.507 -12.962) 13.450 18.695 ( -1.668 -2.035 4.432) 5.155 18.958 ( -0.408 1.245 -18.601) 18.647 20.286 ( 14.147 2.309 4.767) 15.106 21.221 ( -10.617 -1.708 13.586) 17.327 ======================= Grid point 423 (210/227) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 18.213 7.899 3.034) 20.083 2.249 ( 29.379 3.279 19.437) 35.379 2.346 ( -9.788 8.924 0.254) 13.248 2.904 ( -5.116 4.981 12.929) 14.770 3.067 ( -12.812 7.427 13.860) 20.283 3.281 ( -9.554 5.952 -16.153) 19.688 4.173 ( 12.670 6.641 -13.473) 19.651 4.324 ( 2.599 5.376 -7.415) 9.520 4.645 ( -4.529 6.657 9.461) 12.423 4.920 ( -18.571 6.672 -13.333) 23.815 5.368 ( 4.790 -4.969 -9.267) 11.555 5.414 ( -8.481 -4.124 10.293) 13.960 5.697 ( 3.376 -1.701 6.446) 7.473 5.892 ( -5.833 1.498 -9.244) 11.032 6.903 ( 8.145 14.569 -10.246) 19.585 7.001 ( -9.192 12.339 8.625) 17.639 7.280 ( 7.164 -7.545 0.172) 10.406 7.432 ( -4.600 -8.372 1.992) 9.758 8.099 ( 4.713 -15.486 -9.195) 18.617 8.110 ( -5.132 -18.819 10.137) 21.983 8.442 ( 17.702 -4.019 -16.065) 24.240 8.544 ( -7.785 -3.221 18.160) 20.019 9.130 ( 2.243 -1.855 -0.195) 2.917 9.186 ( -2.154 -1.017 -2.050) 3.142 9.345 ( 1.911 -3.580 -0.438) 4.082 9.385 ( -3.101 -3.546 3.864) 6.092 11.445 ( 9.958 7.846 10.706) 16.594 11.721 ( -4.517 7.345 -5.782) 10.382 11.828 ( 2.202 5.677 8.526) 10.477 12.136 ( -8.693 7.243 -13.676) 17.750 12.618 ( -0.624 -13.973 6.186) 15.294 12.689 ( -2.645 -15.539 -2.527) 15.964 13.213 ( 19.070 -5.482 -17.663) 26.565 13.408 ( -7.984 -3.572 4.534) 9.852 14.642 ( 6.914 -2.171 14.735) 16.421 15.041 ( -13.179 -10.587 -6.256) 18.026 17.763 ( 5.926 16.558 9.849) 20.157 18.126 ( -8.512 15.114 -19.056) 25.768 18.720 ( 0.268 0.237 2.316) 2.344 18.803 ( -4.233 1.564 -7.779) 8.994 20.562 ( 29.683 -0.183 2.889) 29.824 21.145 ( -20.422 -2.746 10.177) 22.982 ======================= Grid point 424 (211/227) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -7.120 7.554 -3.717) 11.027 2.099 ( 7.120 7.554 3.717) 11.027 2.739 ( -27.906 0.245 -9.857) 29.597 2.739 ( 27.906 0.245 9.857) 29.597 2.977 ( 0.032 4.923 -29.577) 29.984 2.977 ( -0.032 4.923 29.577) 29.984 4.181 ( 0.011 4.044 -3.732) 5.503 4.181 ( -0.011 4.044 3.732) 5.503 4.578 ( -2.357 7.669 -18.063) 19.764 4.578 ( 2.357 7.669 18.063) 19.764 5.459 ( 6.537 -5.536 -11.656) 14.465 5.459 ( -6.537 -5.536 11.656) 14.465 5.785 ( 8.204 0.041 -26.304) 27.553 5.785 ( -8.204 0.041 26.304) 27.553 6.687 ( 9.655 18.095 -11.484) 23.506 6.687 ( -9.655 18.095 11.484) 23.506 7.477 ( -6.623 -5.935 0.097) 8.894 7.477 ( 6.623 -5.935 -0.097) 8.894 8.372 ( 10.611 -11.972 -13.740) 21.088 8.372 ( -10.611 -11.972 13.740) 21.088 8.649 ( 10.851 -14.201 -18.658) 25.837 8.649 ( -10.851 -14.201 18.658) 25.837 9.175 ( -1.109 -0.959 -2.547) 2.938 9.175 ( 1.109 -0.959 2.547) 2.938 9.403 ( 5.777 -0.736 -10.075) 11.637 9.403 ( -5.777 -0.736 10.075) 11.637 11.465 ( -6.422 9.627 -6.585) 13.315 11.465 ( 6.422 9.627 6.585) 13.315 11.863 ( -8.038 4.987 -11.763) 15.095 11.863 ( 8.038 4.987 11.763) 15.095 12.897 ( 5.683 -14.814 -9.308) 18.396 12.897 ( -5.683 -14.814 9.308) 18.396 13.420 ( 13.053 -7.562 -15.340) 21.515 13.420 ( -13.053 -7.562 15.340) 21.515 14.968 ( -19.552 -11.047 -12.751) 25.824 14.968 ( 19.552 -11.047 12.751) 25.824 17.587 ( -8.752 24.752 -13.281) 29.422 17.587 ( 8.752 24.752 13.281) 29.422 18.737 ( 2.977 0.332 -4.564) 5.459 18.737 ( -2.977 0.332 4.564) 5.459 20.933 ( -26.740 -1.996 3.217) 27.007 20.933 ( 26.740 -1.996 -3.217) 27.007 ======================= Grid point 428 (212/227) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 9.538 0.000 -3.073) 10.021 2.221 ( 48.443 0.000 13.183) 50.204 2.659 ( 17.823 0.000 1.771) 17.911 2.827 ( 18.477 0.000 -27.584) 33.200 3.200 ( 4.783 0.000 -28.639) 29.035 3.334 ( -5.067 -0.000 29.198) 29.634 4.029 ( 1.480 0.000 14.190) 14.267 4.369 ( 12.132 0.000 -17.861) 21.592 4.372 ( -8.156 -0.000 18.235) 19.976 5.170 ( -10.852 -0.000 14.003) 17.716 5.547 ( 0.918 0.000 -7.887) 7.940 5.714 ( -15.445 -0.000 32.791) 36.246 5.758 ( 14.588 0.000 -35.325) 38.219 6.065 ( -10.584 -0.000 -3.036) 11.011 6.139 ( -5.705 -0.000 10.420) 11.880 6.363 ( 4.739 0.000 -13.458) 14.268 6.814 ( -25.054 -0.000 -9.903) 26.940 7.574 ( 6.109 0.000 8.572) 10.526 8.235 ( -6.556 -0.000 20.617) 21.634 8.525 ( 5.213 0.000 -21.397) 22.023 8.753 ( -4.489 -0.000 -5.451) 7.061 8.827 ( -12.171 -0.000 15.461) 19.677 9.103 ( 7.000 0.000 -16.698) 18.106 9.214 ( -4.887 -0.000 2.708) 5.587 9.310 ( -3.666 -0.000 11.806) 12.362 9.364 ( 7.281 0.000 -15.154) 16.813 11.152 ( -5.983 -0.000 21.675) 22.486 11.519 ( 9.241 0.000 -14.017) 16.790 11.925 ( -15.756 -0.000 2.510) 15.954 12.217 ( 31.040 0.000 1.033) 31.057 12.971 ( -20.475 -0.000 34.908) 40.470 13.164 ( 0.363 0.000 4.800) 4.813 13.599 ( 6.197 0.000 -4.993) 7.958 13.743 ( 3.562 0.000 -6.042) 7.014 14.578 ( 18.091 0.000 -11.014) 21.180 15.884 ( -35.947 -0.000 -11.996) 37.896 16.972 ( 1.055 0.000 1.386) 1.742 17.139 ( -3.019 -0.000 -2.347) 3.824 18.538 ( -5.173 -0.000 7.243) 8.901 18.825 ( -4.054 -0.000 -7.892) 8.872 20.538 ( 25.743 0.000 25.182) 36.012 21.142 ( -9.289 -0.000 -19.329) 21.445 ======================= Grid point 429 (213/227) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 11.031 -2.115 0.386) 11.239 2.697 ( 18.983 -1.376 7.845) 20.586 2.826 ( 14.290 4.786 -13.063) 19.944 2.977 ( 21.507 -3.737 -3.900) 22.175 3.026 ( -4.899 0.747 -30.557) 30.956 3.453 ( -4.023 -2.370 25.495) 25.919 4.259 ( 21.304 -3.300 12.195) 24.769 4.289 ( -3.797 5.219 12.119) 13.731 4.488 ( 4.935 -5.699 -8.756) 11.555 5.085 ( -14.140 -0.608 5.276) 15.105 5.421 ( -2.450 6.601 -3.822) 8.011 5.631 ( -2.232 8.106 -19.571) 21.301 5.751 ( -0.701 -1.940 -11.633) 11.814 5.867 ( -16.740 -4.157 22.793) 28.583 6.245 ( -0.644 -13.112 -0.211) 13.130 6.462 ( 1.567 -13.025 -10.091) 16.551 6.662 ( -5.718 -1.774 2.694) 6.565 7.657 ( 4.403 3.794 8.876) 10.610 8.277 ( -5.589 -0.186 19.528) 20.313 8.447 ( 3.436 1.789 -20.852) 21.209 8.628 ( -6.295 10.342 7.590) 14.289 8.719 ( -4.997 3.961 2.199) 6.745 8.967 ( 5.107 12.315 -16.349) 21.096 9.171 ( -4.952 -0.990 1.057) 5.159 9.298 ( -5.162 1.519 10.929) 12.182 9.415 ( 5.549 -2.708 -11.725) 13.251 11.238 ( -4.380 -4.693 18.465) 19.549 11.611 ( 4.642 -8.687 -12.442) 15.869 11.759 ( -16.659 -2.249 3.358) 17.143 12.561 ( 29.457 2.085 -0.411) 29.534 12.914 ( -18.420 2.693 35.421) 40.015 13.146 ( 0.289 6.011 5.462) 8.127 13.520 ( 6.590 15.405 -7.999) 18.567 13.708 ( 8.280 5.618 -12.333) 15.881 14.711 ( 18.118 3.650 -9.448) 20.757 15.226 ( -30.728 13.679 -15.954) 37.227 17.131 ( 2.816 -16.345 0.230) 16.587 17.320 ( -6.499 -23.156 -1.436) 24.094 18.542 ( -2.899 -0.885 7.965) 8.522 18.751 ( -0.725 0.031 -8.597) 8.627 20.871 ( -5.368 3.269 -5.441) 8.313 20.957 ( 8.209 -0.565 17.557) 19.389 ======================= Grid point 430 (214/227) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 8.811 -2.044 2.138) 9.295 2.609 ( -22.102 2.398 -28.441) 36.099 2.856 ( 7.955 2.246 -11.477) 14.144 2.883 ( 7.242 -0.176 1.599) 7.418 3.252 ( 10.429 -5.262 1.955) 11.843 3.563 ( -6.091 -2.660 20.831) 21.865 4.223 ( -4.030 3.193 13.102) 14.075 4.550 ( 3.132 -3.603 -11.787) 12.717 4.752 ( 33.775 -3.057 14.648) 36.942 4.906 ( -8.187 3.569 -11.551) 14.601 5.305 ( -1.452 1.348 -3.617) 4.124 5.443 ( -2.374 1.958 -4.080) 5.111 5.705 ( 3.001 2.760 -4.554) 6.112 5.934 ( -3.686 -3.181 11.786) 12.752 6.500 ( -1.136 -18.923 1.093) 18.989 6.659 ( -3.037 -8.135 1.794) 8.866 6.683 ( 0.131 -11.634 -5.210) 12.748 7.632 ( -1.875 6.657 6.119) 9.234 8.281 ( 0.126 4.798 -3.689) 6.053 8.339 ( -2.141 7.262 4.191) 8.654 8.389 ( -6.427 11.416 11.022) 17.120 8.578 ( 4.021 12.084 -17.288) 21.472 8.783 ( -3.328 0.141 -3.125) 4.568 9.154 ( -3.657 -2.566 0.515) 4.497 9.263 ( -6.234 2.253 11.615) 13.373 9.424 ( 3.476 0.678 -10.279) 10.872 11.383 ( -2.455 -6.650 13.760) 15.479 11.601 ( -12.905 -4.988 -0.717) 13.854 11.805 ( 2.148 -8.898 -1.619) 9.296 12.788 ( 17.855 5.119 0.609) 18.585 12.847 ( -7.013 5.256 19.569) 21.441 13.037 ( 1.138 12.534 6.657) 14.238 13.234 ( 2.845 21.387 -3.243) 21.818 13.611 ( 9.270 7.176 -22.723) 25.569 14.735 ( -18.290 4.891 -3.446) 19.244 14.782 ( 11.943 3.039 -8.874) 15.186 17.481 ( -0.105 -21.163 0.787) 21.178 17.637 ( -0.077 -24.839 -4.515) 25.246 18.565 ( -1.609 -0.091 5.422) 5.656 18.730 ( 1.571 -1.831 -5.119) 5.659 20.613 ( -13.325 2.333 -12.666) 18.532 21.178 ( 4.944 2.745 24.627) 25.268 ======================= Grid point 431 (215/227) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -17.524 3.543 -17.421) 24.962 2.390 ( 8.332 1.428 -0.644) 8.477 2.868 ( 1.594 -0.238 -2.835) 3.261 2.929 ( 0.827 1.431 4.842) 5.116 3.427 ( 4.683 -5.216 0.351) 7.019 3.613 ( -7.142 -1.682 12.896) 14.838 4.240 ( -3.309 0.233 17.722) 18.030 4.571 ( 3.663 -5.208 -16.899) 18.059 4.711 ( 2.218 6.277 -16.594) 17.880 5.131 ( 12.304 0.941 7.733) 14.563 5.320 ( 9.433 0.018 -4.896) 10.628 5.414 ( -1.942 -1.070 0.982) 2.425 5.680 ( -1.312 3.609 9.511) 10.257 6.003 ( 6.237 -0.705 -1.689) 6.500 6.695 ( -1.479 -4.515 0.993) 4.854 6.803 ( -1.642 -16.895 4.040) 17.449 6.909 ( -0.726 -14.969 -3.203) 15.325 7.468 ( -11.137 5.968 -0.455) 12.643 8.110 ( -0.476 13.369 2.009) 13.527 8.112 ( 2.038 14.053 -3.153) 14.546 8.321 ( 2.105 4.540 -13.884) 14.758 8.390 ( -4.730 -0.800 4.967) 6.906 8.817 ( -1.528 -5.626 2.624) 6.393 9.165 ( -3.691 -3.146 0.975) 4.947 9.216 ( -6.507 1.892 11.460) 13.313 9.370 ( 2.221 3.022 -10.186) 10.854 11.487 ( -3.106 -1.209 13.401) 13.809 11.620 ( -1.566 -6.735 4.286) 8.136 11.942 ( 0.699 -6.198 -0.546) 6.261 12.716 ( 5.598 13.846 -4.499) 15.597 12.830 ( 5.586 8.572 -2.807) 10.610 12.897 ( 5.017 13.907 -8.165) 16.889 12.954 ( -4.961 11.112 24.723) 27.556 13.480 ( 5.518 2.981 -25.295) 26.060 14.553 ( -11.447 0.447 10.799) 15.743 14.823 ( 7.622 -0.222 -10.172) 12.713 17.743 ( -4.051 -14.373 3.973) 15.452 18.038 ( 6.907 -22.548 -11.758) 26.351 18.567 ( -1.246 -0.343 2.219) 2.568 18.785 ( 2.147 -4.311 -2.657) 5.500 20.402 ( -5.653 2.984 -5.766) 8.609 21.249 ( -4.436 2.598 18.216) 18.928 ======================= Grid point 432 (216/227) ======================= q-point: ( 0.60 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 14.799 4.037 0.118) 15.340 2.440 ( 7.990 4.900 -0.060) 9.373 2.807 ( -3.685 4.654 -1.710) 6.178 2.960 ( -5.511 -1.721 13.934) 15.083 3.492 ( -3.266 2.749 8.608) 9.608 3.599 ( -4.455 -1.929 -3.244) 5.839 4.320 ( 2.252 -1.337 11.276) 11.576 4.577 ( 8.566 7.284 -17.080) 20.449 4.641 ( 2.647 -8.115 -11.653) 14.445 5.174 ( -0.530 1.132 1.534) 1.979 5.340 ( 1.309 3.342 -3.683) 5.143 5.406 ( -2.283 1.766 -0.114) 2.889 5.658 ( -1.129 3.486 10.037) 10.685 6.037 ( -0.716 0.919 -5.070) 5.202 6.782 ( 0.845 -6.646 1.297) 6.824 7.023 ( -0.165 -9.792 0.711) 9.819 7.066 ( -3.349 -7.800 1.795) 8.676 7.241 ( -10.869 1.052 -7.040) 12.992 7.949 ( 5.388 6.396 -10.542) 13.456 7.953 ( -4.614 6.291 10.668) 13.216 8.272 ( 12.259 0.108 -19.467) 23.006 8.414 ( -6.448 -2.203 14.794) 16.287 8.918 ( 0.288 -5.906 2.170) 6.298 9.173 ( -4.907 -2.773 3.704) 6.745 9.185 ( -7.273 -0.915 9.560) 12.047 9.285 ( 2.682 3.122 -11.423) 12.141 11.561 ( 5.969 3.133 15.306) 16.725 11.740 ( 0.410 -4.588 5.509) 7.181 12.001 ( 0.263 -0.206 1.695) 1.727 12.537 ( 10.782 11.067 -17.981) 23.707 12.618 ( -9.108 13.355 15.049) 22.086 12.711 ( 1.926 9.553 -15.426) 18.247 12.970 ( 2.800 0.796 11.564) 11.925 13.382 ( 0.699 -0.519 -17.650) 17.671 14.532 ( -5.466 -0.249 16.014) 16.923 14.849 ( 1.692 -2.867 -10.415) 10.934 17.911 ( -0.568 -6.893 6.727) 9.648 18.295 ( 1.934 -11.640 -15.879) 19.783 18.595 ( -0.506 -2.865 4.060) 4.994 18.852 ( -1.485 -5.983 -8.734) 10.691 20.367 ( 10.266 2.727 2.177) 10.843 21.205 ( -12.167 0.808 12.382) 17.378 ======================= Grid point 433 (217/227) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 35.908 1.420 8.063) 36.830 2.423 ( 6.555 7.337 0.291) 9.843 2.646 ( -5.228 8.208 3.119) 10.219 2.960 ( -12.574 -1.024 12.248) 17.583 3.382 ( -6.717 9.073 12.510) 16.850 3.494 ( -4.212 4.449 -13.121) 14.481 4.420 ( 8.722 4.155 2.318) 9.935 4.492 ( 8.867 5.673 -12.563) 16.390 4.730 ( 2.639 -3.549 -3.548) 5.670 5.080 ( -19.827 2.329 1.348) 20.009 5.253 ( 4.958 1.699 -9.418) 10.778 5.329 ( -6.230 0.567 4.374) 7.634 5.677 ( 4.382 1.098 5.101) 6.813 5.909 ( -9.977 0.763 -5.793) 11.562 6.941 ( 4.148 -8.527 1.383) 9.583 7.107 ( -8.169 -7.959 -2.116) 11.600 7.136 ( -0.255 -2.502 3.191) 4.063 7.159 ( 0.950 -1.392 -4.149) 4.478 7.899 ( -4.984 1.498 11.048) 12.213 7.904 ( 4.859 0.699 -10.917) 11.970 8.361 ( 15.711 -2.028 -16.871) 23.142 8.457 ( -8.007 -2.647 16.503) 18.533 9.026 ( 2.543 -4.595 0.285) 5.259 9.149 ( -7.609 -2.501 0.228) 8.013 9.208 ( -3.402 -2.759 10.256) 11.152 9.248 ( 2.449 -2.249 -9.129) 9.716 11.666 ( 9.187 5.373 13.058) 16.846 11.810 ( 0.262 -0.760 -0.127) 0.814 12.001 ( 3.691 4.892 8.966) 10.860 12.388 ( -11.772 8.321 -3.873) 14.927 12.447 ( 10.194 2.961 -21.202) 23.711 12.488 ( -6.968 5.417 6.493) 10.957 13.095 ( 9.372 -2.376 2.281) 9.934 13.316 ( -4.462 -2.306 -7.998) 9.445 14.599 ( 0.668 -0.923 16.120) 16.160 14.832 ( -4.177 -3.921 -11.094) 12.486 18.028 ( 3.961 0.184 10.526) 11.248 18.301 ( -3.909 -2.376 -16.438) 17.063 18.674 ( 0.501 -2.870 5.866) 6.549 18.822 ( -4.944 -2.419 -11.181) 12.462 20.564 ( 23.751 0.410 2.936) 23.935 21.081 ( -19.302 -1.080 7.617) 20.778 ======================= Grid point 434 (218/227) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -2.651 8.380 -2.516) 9.142 2.373 ( 2.651 8.380 2.516) 9.142 2.763 ( -28.832 0.745 -4.311) 29.163 2.763 ( 28.832 0.745 4.311) 29.163 3.248 ( 0.871 10.636 -19.731) 22.432 3.248 ( -0.871 10.636 19.731) 22.432 4.392 ( -5.060 8.291 -2.581) 10.050 4.392 ( 5.060 8.291 2.581) 10.050 4.789 ( -10.925 4.513 -4.141) 12.524 4.789 ( 10.925 4.513 4.141) 12.524 5.314 ( 6.365 -3.914 -9.000) 11.698 5.314 ( -6.365 -3.914 9.000) 11.698 5.776 ( -4.009 -0.573 -7.321) 8.366 5.776 ( 4.009 -0.573 7.321) 8.366 7.079 ( 1.520 2.516 -4.639) 5.492 7.079 ( -1.520 2.516 4.639) 5.492 7.225 ( -1.846 -8.591 -1.921) 8.995 7.225 ( 1.846 -8.591 1.921) 8.995 7.922 ( 4.331 -5.217 -10.488) 12.489 7.922 ( -4.331 -5.217 10.488) 12.489 8.477 ( 12.296 -2.827 -17.490) 21.566 8.477 ( -12.296 -2.827 17.490) 21.566 9.120 ( -3.558 -2.469 -0.285) 4.340 9.120 ( 3.558 -2.469 0.285) 4.340 9.292 ( 4.488 -5.028 -11.250) 13.115 9.292 ( -4.488 -5.028 11.250) 13.115 11.723 ( -6.219 5.486 -7.886) 11.444 11.723 ( 6.219 5.486 7.886) 11.444 12.057 ( -9.419 6.977 -15.399) 19.353 12.057 ( 9.419 6.977 15.399) 19.353 12.478 ( 9.105 -6.197 -20.733) 23.477 12.478 ( -9.105 -6.197 20.733) 23.477 13.261 ( 3.148 -3.512 -8.833) 10.013 13.261 ( -3.148 -3.512 8.833) 10.013 14.758 ( -5.584 -3.619 -14.868) 16.290 14.758 ( 5.584 -3.619 14.868) 16.290 18.109 ( -7.370 7.134 -15.718) 18.769 18.109 ( 7.370 7.134 15.718) 18.769 18.747 ( -1.544 -0.268 -7.149) 7.318 18.747 ( 1.544 -0.268 7.149) 7.318 20.872 ( -23.505 -1.606 1.615) 23.615 20.872 ( 23.505 -1.606 -1.615) 23.615 ======================= Grid point 440 (219/227) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 11.909 0.000 2.220) 12.114 2.651 ( -20.327 -0.000 -32.508) 38.339 2.865 ( 10.411 0.000 1.554) 10.526 3.016 ( 20.209 0.000 -25.433) 32.484 3.077 ( -2.408 -0.000 14.673) 14.870 3.528 ( -5.437 -0.000 24.119) 24.724 4.346 ( -6.451 -0.000 13.837) 15.267 4.455 ( 11.369 0.000 -16.980) 20.435 4.689 ( 39.037 0.000 14.046) 41.487 4.952 ( -9.252 -0.000 -0.828) 9.289 5.455 ( 0.235 0.000 -10.090) 10.093 5.483 ( -21.466 -0.000 13.190) 25.195 5.723 ( 16.925 0.000 -37.806) 41.421 5.770 ( -12.047 -0.000 26.079) 28.727 6.137 ( -3.494 -0.000 9.184) 9.826 6.354 ( 6.465 0.000 -11.942) 13.579 6.634 ( -2.029 -0.000 4.228) 4.689 7.750 ( -2.970 -0.000 7.594) 8.154 8.313 ( -6.503 -0.000 20.013) 21.043 8.374 ( 2.440 0.000 -23.106) 23.234 8.640 ( -2.505 -0.000 -0.536) 2.562 8.740 ( -9.188 -0.000 13.990) 16.737 9.050 ( 2.837 0.000 -16.668) 16.907 9.086 ( -7.549 -0.000 0.881) 7.600 9.330 ( -5.149 -0.000 8.098) 9.597 9.361 ( 6.504 0.000 -14.926) 16.282 11.249 ( -7.020 -0.000 24.326) 25.319 11.468 ( -2.596 -0.000 -14.142) 14.378 11.661 ( -0.351 -0.000 3.446) 3.464 12.868 ( 13.843 0.000 9.830) 16.978 12.929 ( -10.135 -0.000 26.838) 28.688 13.201 ( 1.215 0.000 -2.572) 2.845 13.725 ( 10.993 0.000 -10.398) 15.131 13.759 ( 8.119 0.000 -16.155) 18.080 14.882 ( -29.831 -0.000 -10.830) 31.736 14.915 ( 16.754 0.000 -9.425) 19.223 17.021 ( 1.480 0.000 1.755) 2.296 17.088 ( 0.363 0.000 -2.457) 2.484 18.573 ( 0.069 0.000 9.626) 9.626 18.695 ( 0.080 0.000 -9.681) 9.682 20.655 ( -13.466 -0.000 -13.300) 18.927 21.231 ( 4.883 0.000 27.128) 27.564 ======================= Grid point 441 (220/227) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -10.923 1.189 -19.410) 22.304 2.416 ( 8.973 0.478 -1.289) 9.078 2.949 ( 6.000 2.571 -6.576) 9.266 2.984 ( 2.039 4.437 4.071) 6.358 3.217 ( 6.817 -7.111 -6.723) 11.926 3.571 ( -9.591 -0.645 23.003) 24.931 4.325 ( -1.514 4.406 13.069) 13.874 4.503 ( 5.686 -1.020 -11.645) 12.999 4.857 ( 2.451 2.604 -12.292) 12.802 5.178 ( 28.366 -1.253 8.299) 29.582 5.291 ( -6.809 3.481 4.559) 8.903 5.434 ( 0.478 1.795 -2.292) 2.951 5.733 ( 12.018 -1.146 -22.540) 25.570 5.860 ( -11.988 -8.098 29.399) 32.765 6.246 ( 1.173 -11.708 -0.924) 11.803 6.439 ( 3.761 -9.035 -7.219) 12.161 6.636 ( -1.904 -0.540 2.966) 3.565 7.626 ( -19.445 3.242 1.099) 19.745 8.272 ( 4.165 1.084 -21.145) 21.579 8.342 ( -7.142 -0.675 16.584) 18.069 8.605 ( -4.101 8.640 10.696) 14.348 8.650 ( -2.781 2.052 2.835) 4.470 8.841 ( 1.016 13.103 -17.662) 22.015 9.038 ( -6.684 -3.165 -2.566) 7.828 9.286 ( -5.812 1.738 11.452) 12.960 9.387 ( 3.721 -2.070 -12.632) 13.330 11.339 ( -5.289 -4.927 20.940) 22.153 11.445 ( 2.407 -4.765 -8.199) 9.784 11.756 ( 6.571 -2.897 6.812) 9.898 12.906 ( -16.997 2.140 39.234) 42.811 13.028 ( 14.144 3.049 -12.097) 18.859 13.171 ( 1.540 2.624 -6.102) 6.818 13.587 ( 7.533 18.178 -10.146) 22.139 13.740 ( 10.362 8.078 -22.887) 26.390 14.576 ( -16.606 1.013 6.891) 18.007 14.947 ( 9.632 6.903 -11.681) 16.640 17.178 ( -0.161 -15.360 2.080) 15.501 17.255 ( 1.958 -19.961 -4.358) 20.525 18.599 ( -0.369 1.855 2.768) 3.352 18.678 ( 0.216 -2.667 -3.502) 4.407 20.475 ( -5.087 1.308 -6.984) 8.738 21.332 ( -6.249 1.870 20.137) 21.168 ======================= Grid point 442 (221/227) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 13.632 2.269 -9.118) 16.557 2.550 ( 11.799 2.094 4.241) 12.711 2.873 ( -2.938 2.644 -1.973) 4.418 2.991 ( -1.640 2.018 6.874) 7.349 3.358 ( 8.132 -6.153 -12.188) 15.891 3.577 ( -12.284 -0.970 20.921) 24.280 4.320 ( -3.238 2.932 17.137) 17.685 4.484 ( 2.643 0.125 -12.914) 13.183 4.811 ( 13.926 5.394 -14.601) 20.886 5.241 ( 0.154 1.011 2.462) 2.666 5.367 ( -1.713 -2.196 -1.594) 3.209 5.466 ( 11.126 4.106 -1.062) 11.907 5.756 ( 1.999 1.482 1.366) 2.839 6.012 ( -0.419 -4.618 6.481) 7.969 6.504 ( 0.369 -18.470 1.517) 18.536 6.631 ( -0.206 -13.928 -1.822) 14.049 6.652 ( -0.858 -3.807 1.376) 4.138 7.254 ( -30.053 0.982 -9.516) 31.539 8.225 ( 9.424 1.846 -17.554) 20.009 8.355 ( -7.845 0.311 14.855) 16.802 8.386 ( -4.355 15.697 13.528) 21.174 8.486 ( 5.496 17.645 -16.887) 25.034 8.730 ( -0.521 -4.891 2.021) 5.318 9.007 ( -8.385 -5.211 -1.931) 10.059 9.259 ( -4.952 2.369 12.896) 14.016 9.366 ( 2.807 0.895 -12.329) 12.677 11.497 ( -3.314 -7.416 17.905) 19.661 11.561 ( 7.979 -6.315 -7.286) 12.515 11.942 ( 9.819 -0.844 13.935) 17.068 12.873 ( -8.457 3.977 18.113) 20.382 12.980 ( 4.097 6.806 -13.833) 15.952 13.083 ( 0.145 7.333 -2.451) 7.733 13.287 ( 0.923 21.855 6.335) 22.773 13.524 ( 9.120 12.485 -30.758) 34.425 14.519 ( -6.773 -0.483 17.048) 18.350 14.854 ( 3.418 4.105 -13.822) 14.818 17.466 ( -1.218 -18.813 4.626) 19.412 17.635 ( 2.691 -26.035 -9.999) 28.019 18.572 ( -0.301 0.795 -0.552) 1.014 18.702 ( -3.060 -3.263 -1.555) 4.735 20.447 ( 8.681 2.072 -0.158) 8.926 21.262 ( -14.287 2.299 12.445) 19.086 ======================= Grid point 443 (222/227) ======================= q-point: ( 0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 30.676 0.655 0.529) 30.687 2.625 ( 7.926 5.295 0.543) 9.548 2.794 ( -4.665 0.778 0.430) 4.749 2.946 ( -9.993 1.602 11.322) 15.186 3.463 ( 7.259 -4.105 -13.978) 16.277 3.540 ( -11.698 0.313 15.172) 19.160 4.354 ( -4.685 -1.431 19.084) 19.703 4.459 ( 2.911 -3.786 -17.366) 18.010 4.848 ( 22.360 9.177 -7.783) 25.393 5.234 ( -0.001 4.538 1.421) 4.755 5.346 ( -4.377 0.351 2.281) 4.948 5.390 ( -6.499 3.853 -8.239) 11.179 5.761 ( 1.002 2.996 9.427) 9.942 5.978 ( -7.190 2.138 -8.421) 11.278 6.711 ( 1.657 -5.525 2.144) 6.154 6.809 ( -1.130 -13.838 -1.273) 13.942 6.866 ( -5.553 -14.681 9.812) 18.511 6.980 ( -10.192 -9.345 -14.544) 20.069 8.128 ( -0.353 14.640 2.026) 14.784 8.129 ( 1.643 14.225 -2.033) 14.463 8.322 ( 12.173 0.775 -18.107) 21.833 8.381 ( -8.340 -1.871 16.444) 18.533 8.843 ( 2.311 -6.170 1.849) 6.844 8.989 ( -8.467 -5.929 -1.303) 10.418 9.235 ( -3.906 2.836 13.134) 13.993 9.299 ( 2.797 2.774 -12.673) 13.271 11.667 ( -3.045 -6.252 16.482) 17.889 11.708 ( 7.455 -5.895 -10.443) 14.120 12.141 ( 13.328 4.343 19.962) 24.393 12.684 ( -9.699 7.843 -15.437) 19.847 12.807 ( 7.895 15.582 -10.213) 20.235 12.879 ( -3.757 16.127 2.603) 16.762 13.109 ( -4.297 6.594 26.483) 27.628 13.305 ( 4.783 4.109 -28.365) 29.057 14.576 ( -1.871 -0.467 18.382) 18.483 14.764 ( -0.080 -0.082 -15.472) 15.472 17.779 ( 1.296 -15.654 8.897) 18.052 17.955 ( -1.112 -19.896 -14.448) 24.614 18.584 ( 1.243 -1.606 2.398) 3.143 18.695 ( -4.802 -3.803 -4.136) 7.391 20.596 ( 19.935 1.545 2.396) 20.138 21.084 ( -19.771 1.234 6.046) 20.711 ======================= Grid point 444 (223/227) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( -0.700 2.626 -10.670) 11.010 2.554 ( 0.700 2.626 10.670) 11.010 2.805 ( -14.083 2.209 -0.574) 14.266 2.805 ( 14.083 2.209 0.574) 14.266 3.481 ( 5.059 2.577 -10.997) 12.376 3.481 ( -5.059 2.577 10.997) 12.376 4.475 ( 3.569 -5.228 -17.459) 18.571 4.475 ( -3.569 -5.228 17.459) 18.571 4.936 ( -22.604 9.634 1.415) 24.612 4.936 ( 22.604 9.634 -1.415) 24.612 5.308 ( 3.622 1.685 -5.375) 6.697 5.308 ( -3.622 1.685 5.375) 6.697 5.801 ( -4.658 2.646 -10.775) 12.033 5.801 ( 4.658 2.646 10.775) 12.033 6.874 ( -5.315 -8.077 -2.664) 10.029 6.874 ( 5.315 -8.077 2.664) 10.029 7.077 ( 2.659 -8.083 -10.017) 13.143 7.077 ( -2.659 -8.083 10.017) 13.143 7.956 ( 5.313 6.757 -11.227) 14.140 7.956 ( -5.313 6.757 11.227) 14.140 8.393 ( 11.701 -2.330 -17.608) 21.269 8.393 ( -11.701 -2.330 17.608) 21.269 8.993 ( -5.703 -5.756 -0.540) 8.121 8.993 ( 5.703 -5.756 0.540) 8.121 9.225 ( 4.654 1.730 -14.838) 15.647 9.225 ( -4.654 1.730 14.838) 15.647 11.781 ( 3.257 -2.435 -12.186) 12.847 11.781 ( -3.257 -2.435 12.186) 12.847 12.308 ( -13.565 8.328 -20.333) 25.823 12.308 ( 13.565 8.328 20.333) 25.823 12.598 ( 11.936 13.138 -21.406) 27.808 12.598 ( -11.936 13.138 21.406) 27.808 13.183 ( 1.704 -0.841 -20.350) 20.439 13.183 ( -1.704 -0.841 20.350) 20.439 14.682 ( -0.332 -1.434 -17.765) 17.826 14.682 ( 0.332 -1.434 17.765) 17.826 18.074 ( -4.158 -9.271 -14.134) 17.408 18.074 ( 4.158 -9.271 14.134) 17.408 18.678 ( -1.476 -3.594 -7.740) 8.661 18.678 ( 1.476 -3.594 7.740) 8.661 20.845 ( -22.861 0.070 0.884) 22.878 20.845 ( 22.861 0.070 -0.883) 22.878 ======================= Grid point 452 (224/227) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 13.468 0.000 -12.616) 18.454 2.584 ( 13.445 0.000 5.667) 14.591 2.964 ( -6.203 -0.000 -1.555) 6.395 3.029 ( -8.380 -0.000 15.163) 17.324 3.229 ( 20.403 0.000 -23.310) 30.978 3.560 ( -12.631 -0.000 22.494) 25.797 4.428 ( -4.722 -0.000 20.820) 21.349 4.508 ( 8.825 0.000 -16.994) 19.148 4.902 ( 13.816 0.000 -13.995) 19.666 5.267 ( 6.705 0.000 -18.655) 19.824 5.303 ( -14.382 -0.000 26.964) 30.560 5.623 ( 16.131 0.000 6.759) 17.489 5.728 ( 17.422 0.000 -35.243) 39.314 5.779 ( -14.126 -0.000 30.136) 33.283 6.170 ( -2.742 -0.000 10.039) 10.407 6.387 ( 6.156 0.000 -11.107) 12.699 6.625 ( -2.143 -0.000 2.790) 3.518 7.280 ( -37.604 -0.000 -9.994) 38.909 8.243 ( 9.306 0.000 -20.447) 22.465 8.340 ( -9.268 -0.000 18.409) 20.610 8.629 ( 0.743 0.000 2.166) 2.290 8.714 ( -5.991 -0.000 13.887) 15.124 8.889 ( 3.140 0.000 -20.694) 20.931 8.908 ( -7.908 -0.000 0.075) 7.909 9.302 ( -5.891 -0.000 13.032) 14.302 9.345 ( 5.925 0.000 -14.584) 15.741 11.342 ( -8.253 -0.000 25.247) 26.562 11.402 ( 9.974 0.000 -19.152) 21.593 11.945 ( 15.366 0.000 19.712) 24.994 12.931 ( -16.552 -0.000 34.809) 38.544 13.083 ( 1.506 0.000 -8.951) 9.077 13.151 ( 7.077 0.000 -23.592) 24.631 13.770 ( 8.300 0.000 -16.695) 18.644 13.809 ( 4.439 0.000 -9.215) 10.228 14.510 ( -6.352 -0.000 17.806) 18.905 15.016 ( 2.857 0.000 -15.669) 15.927 17.062 ( 0.304 0.000 1.701) 1.728 17.079 ( 0.918 0.000 -2.346) 2.519 18.603 ( 1.298 0.000 -9.833) 9.918 18.638 ( -4.732 -0.000 7.378) 8.765 20.483 ( 8.517 0.000 -1.115) 8.590 21.308 ( -15.483 -0.000 12.930) 20.172 ======================= Grid point 453 (225/227) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 29.786 0.519 -5.077) 30.220 2.749 ( 11.490 2.003 4.652) 12.557 2.819 ( -14.368 1.467 4.080) 15.007 2.996 ( -7.496 0.795 5.838) 9.534 3.352 ( 17.684 -1.790 -21.039) 27.542 3.520 ( -15.568 -0.400 21.896) 26.869 4.430 ( -3.188 4.414 13.504) 14.560 4.485 ( 3.001 2.839 -10.378) 11.170 5.035 ( 20.752 1.750 -4.527) 21.312 5.246 ( 5.245 -1.643 -13.434) 14.515 5.315 ( -3.424 0.750 12.467) 12.950 5.617 ( -5.136 8.152 3.619) 10.292 5.779 ( 13.287 -2.834 -22.057) 25.905 5.904 ( -14.495 -8.303 24.406) 29.575 6.281 ( 1.326 -10.841 2.987) 11.323 6.423 ( -1.319 -7.756 -8.624) 11.673 6.623 ( -1.678 -1.090 3.232) 3.801 6.821 ( -25.594 -1.947 -11.706) 28.211 8.261 ( 11.097 -0.155 -17.418) 20.653 8.328 ( -9.945 -0.711 16.885) 19.609 8.640 ( -4.329 10.752 13.624) 17.887 8.687 ( 2.717 -2.374 3.716) 5.179 8.712 ( 3.554 12.440 -15.938) 20.528 8.839 ( -6.605 -2.217 -3.475) 7.786 9.302 ( -4.619 0.965 13.162) 13.982 9.341 ( 4.363 -0.288 -13.263) 13.965 11.427 ( -6.064 -5.889 19.297) 21.068 11.465 ( 7.790 -6.520 -16.977) 19.784 12.256 ( 18.839 2.189 24.633) 31.088 12.847 ( -11.245 2.444 -7.537) 13.756 13.025 ( -8.453 2.162 18.258) 20.236 13.098 ( 6.562 0.881 -23.178) 24.106 13.646 ( 1.512 15.621 1.918) 15.811 13.700 ( 4.867 11.995 -15.474) 20.175 14.586 ( 0.747 1.203 20.409) 20.458 14.864 ( -2.130 5.614 -17.736) 18.725 17.200 ( -0.219 -15.102 3.538) 15.512 17.240 ( 0.725 -18.559 -5.038) 19.244 18.572 ( 1.672 0.290 -5.073) 5.349 18.617 ( -5.485 -1.266 2.989) 6.374 20.642 ( 19.152 0.976 1.449) 19.232 21.133 ( -21.015 1.209 5.907) 21.863 ======================= Grid point 454 (226/227) ======================= q-point: ( 0.60 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -14.006 0.884 -2.465) 14.249 2.595 ( 14.006 0.884 2.465) 14.249 2.879 ( -10.962 2.012 0.346) 11.150 2.879 ( 10.962 2.012 -0.346) 11.150 3.462 ( 15.384 -1.647 -19.548) 24.930 3.462 ( -15.384 -1.647 19.548) 24.930 4.403 ( 5.384 2.397 -17.293) 18.269 4.403 ( -5.384 2.397 17.293) 18.269 5.243 ( -11.364 0.818 -8.141) 14.003 5.243 ( 11.364 0.818 8.141) 14.003 5.322 ( -8.535 6.448 -5.019) 11.815 5.322 ( 8.535 6.448 5.019) 11.815 5.872 ( 8.228 -0.024 -19.002) 20.707 5.872 ( -8.228 -0.024 19.002) 20.707 6.568 ( 2.903 -17.535 -12.698) 21.844 6.568 ( -2.903 -17.535 12.698) 21.844 6.692 ( -3.696 -5.007 -5.524) 8.322 6.692 ( 3.696 -5.007 5.524) 8.322 8.304 ( 10.448 1.243 -15.133) 18.431 8.304 ( -10.448 1.243 15.133) 18.431 8.438 ( 5.310 15.155 -15.979) 22.654 8.438 ( -5.310 15.155 15.979) 22.654 8.810 ( -5.466 -4.896 -2.361) 7.709 8.810 ( 5.466 -4.896 2.361) 7.709 9.303 ( 3.604 1.849 -13.034) 13.649 9.303 ( -3.604 1.849 13.034) 13.649 11.579 ( 7.919 -8.645 -20.160) 23.321 11.579 ( -7.919 -8.645 20.160) 23.321 12.532 ( -15.870 5.235 -23.275) 28.653 12.532 ( 15.870 5.235 23.275) 28.653 13.012 ( 14.504 4.858 -34.183) 37.449 13.012 ( -14.504 4.858 34.183) 37.449 13.401 ( 4.729 18.075 -21.777) 28.693 13.401 ( -4.729 18.075 21.777) 28.693 14.679 ( -0.889 1.809 -19.281) 19.386 14.679 ( 0.889 1.809 19.281) 19.386 17.539 ( -0.883 -21.741 -8.633) 23.409 17.539 ( 0.883 -21.741 8.633) 23.409 18.594 ( 2.840 -1.379 -7.633) 8.260 18.594 ( -2.840 -1.379 7.633) 8.260 20.874 ( -22.657 1.393 0.605) 22.708 20.874 ( 22.657 1.393 -0.605) 22.708 ======================= Grid point 465 (227/227) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -26.319 -0.000 6.209) 27.042 2.614 ( 26.319 0.000 -6.209) 27.042 2.915 ( -10.192 -0.000 -1.019) 10.243 2.915 ( 10.192 0.000 1.019) 10.243 3.440 ( 18.177 0.000 -21.618) 28.244 3.440 ( -18.177 -0.000 21.618) 28.244 4.498 ( 7.258 0.000 -18.872) 20.220 4.498 ( -7.258 -0.000 18.872) 20.220 5.174 ( 2.522 0.000 -19.067) 19.234 5.174 ( -2.522 -0.000 19.067) 19.234 5.550 ( -23.067 -0.000 -4.695) 23.540 5.550 ( 23.067 0.000 4.695) 23.540 5.762 ( 16.879 0.000 -33.697) 37.688 5.762 ( -16.879 -0.000 33.697) 37.688 6.253 ( -2.103 -0.000 -13.037) 13.206 6.253 ( 2.103 0.000 13.037) 13.206 6.624 ( -1.400 -0.000 -5.275) 5.457 6.624 ( 1.400 0.000 5.275) 5.457 8.292 ( 10.905 0.000 -17.126) 20.303 8.292 ( -10.905 -0.000 17.126) 20.303 8.711 ( -4.198 -0.000 0.360) 4.213 8.711 ( 4.198 0.000 -0.360) 4.213 8.791 ( 5.691 0.000 -14.888) 15.939 8.791 ( -5.691 -0.000 14.888) 15.939 9.322 ( 5.473 0.000 -14.106) 15.130 9.322 ( -5.473 -0.000 14.106) 15.130 11.401 ( 10.076 0.000 -24.612) 26.595 11.401 ( -10.076 -0.000 24.612) 26.595 12.618 ( -16.649 -0.000 -22.923) 28.331 12.618 ( 16.649 0.000 22.923) 28.331 13.060 ( 13.558 0.000 -35.785) 38.267 13.060 ( -13.558 -0.000 35.785) 38.267 13.787 ( 5.453 0.000 -9.561) 11.007 13.787 ( -5.453 -0.000 9.561) 11.007 14.761 ( -5.399 -0.000 -20.410) 21.112 14.761 ( 5.399 0.000 20.410) 21.112 17.075 ( 0.703 0.000 -2.026) 2.144 17.075 ( -0.703 -0.000 2.026) 2.144 18.575 ( 5.300 0.000 -8.201) 9.764 18.575 ( -5.300 -0.000 8.201) 9.764 20.902 ( -23.019 -0.000 0.776) 23.032 20.902 ( 23.019 0.000 -0.776) 23.032 =================== 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 3/33600 10.0 1645.077 1098.478 1188.644 0.000 270.232 0.000 3/33600 20.0 452.252 339.798 450.703 0.000 7.941 0.000 3/33600 30.0 189.014 141.167 192.598 0.000 -2.205 0.000 3/33600 40.0 105.920 76.384 106.413 0.000 -1.214 0.000 3/33600 50.0 70.037 48.325 68.840 0.000 -0.278 0.000 3/33600 60.0 51.146 33.874 49.268 0.000 0.198 0.000 3/33600 70.0 39.857 25.518 37.795 0.000 0.401 0.000 3/33600 80.0 32.494 20.254 30.469 0.000 0.467 0.000 3/33600 90.0 27.374 16.708 25.476 0.000 0.469 0.000 3/33600 100.0 23.636 14.190 21.893 0.000 0.441 0.000 3/33600 110.0 20.801 12.325 19.216 0.000 0.403 0.000 3/33600 120.0 18.585 10.896 17.146 0.000 0.362 0.000 3/33600 130.0 16.807 9.770 15.502 0.000 0.323 0.000 3/33600 140.0 15.353 8.862 14.165 0.000 0.287 0.000 3/33600 150.0 14.141 8.115 13.056 0.000 0.256 0.000 3/33600 160.0 13.117 7.490 12.122 0.000 0.228 0.000 3/33600 170.0 12.239 6.960 11.323 0.000 0.205 0.000 3/33600 180.0 11.480 6.505 10.631 0.000 0.185 0.000 3/33600 190.0 10.815 6.110 10.026 0.000 0.167 0.000 3/33600 200.0 10.229 5.763 9.492 0.000 0.153 0.000 3/33600 210.0 9.707 5.456 9.016 0.000 0.140 0.000 3/33600 220.0 9.240 5.183 8.589 0.000 0.129 0.000 3/33600 230.0 8.819 4.937 8.203 0.000 0.120 0.000 3/33600 240.0 8.437 4.715 7.853 0.000 0.112 0.000 3/33600 250.0 8.089 4.514 7.533 0.000 0.106 0.000 3/33600 260.0 7.771 4.330 7.240 0.000 0.100 0.000 3/33600 270.0 7.478 4.161 6.970 0.000 0.095 0.000 3/33600 280.0 7.208 4.006 6.721 0.000 0.090 0.000 3/33600 290.0 6.958 3.862 6.489 0.000 0.086 0.000 3/33600 300.0 6.725 3.729 6.274 0.000 0.083 0.000 3/33600 310.0 6.508 3.605 6.073 0.000 0.079 0.000 3/33600 320.0 6.305 3.490 5.884 0.000 0.077 0.000 3/33600 330.0 6.115 3.382 5.708 0.000 0.074 0.000 3/33600 340.0 5.937 3.281 5.542 0.000 0.072 0.000 3/33600 350.0 5.769 3.185 5.386 0.000 0.070 0.000 3/33600 360.0 5.611 3.096 5.238 0.000 0.068 0.000 3/33600 370.0 5.461 3.011 5.099 0.000 0.066 0.000 3/33600 380.0 5.319 2.931 4.967 0.000 0.064 0.000 3/33600 390.0 5.185 2.855 4.841 0.000 0.063 0.000 3/33600 400.0 5.057 2.783 4.722 0.000 0.061 0.000 3/33600 410.0 4.936 2.715 4.609 0.000 0.060 0.000 3/33600 420.0 4.820 2.650 4.501 0.000 0.059 0.000 3/33600 430.0 4.710 2.588 4.398 0.000 0.058 0.000 3/33600 440.0 4.605 2.529 4.300 0.000 0.056 0.000 3/33600 450.0 4.505 2.473 4.206 0.000 0.055 0.000 3/33600 460.0 4.408 2.419 4.116 0.000 0.054 0.000 3/33600 470.0 4.316 2.368 4.030 0.000 0.053 0.000 3/33600 480.0 4.228 2.318 3.947 0.000 0.052 0.000 3/33600 490.0 4.143 2.271 3.868 0.000 0.051 0.000 3/33600 500.0 4.062 2.226 3.792 0.000 0.051 0.000 3/33600 510.0 3.984 2.182 3.719 0.000 0.050 0.000 3/33600 520.0 3.908 2.140 3.648 0.000 0.049 0.000 3/33600 530.0 3.836 2.100 3.581 0.000 0.048 0.000 3/33600 540.0 3.766 2.061 3.515 0.000 0.047 0.000 3/33600 550.0 3.699 2.024 3.452 0.000 0.047 0.000 3/33600 560.0 3.634 1.988 3.392 0.000 0.046 0.000 3/33600 570.0 3.571 1.953 3.333 0.000 0.045 0.000 3/33600 580.0 3.511 1.919 3.276 0.000 0.045 0.000 3/33600 590.0 3.452 1.887 3.222 0.000 0.044 0.000 3/33600 600.0 3.395 1.856 3.169 0.000 0.043 0.000 3/33600 610.0 3.341 1.825 3.117 0.000 0.043 0.000 3/33600 620.0 3.288 1.796 3.068 0.000 0.042 0.000 3/33600 630.0 3.236 1.767 3.020 0.000 0.042 0.000 3/33600 640.0 3.186 1.740 2.973 0.000 0.041 0.000 3/33600 650.0 3.138 1.713 2.928 0.000 0.041 0.000 3/33600 660.0 3.091 1.687 2.884 0.000 0.040 0.000 3/33600 670.0 3.046 1.662 2.842 0.000 0.040 0.000 3/33600 680.0 3.002 1.638 2.800 0.000 0.039 0.000 3/33600 690.0 2.959 1.614 2.760 0.000 0.039 0.000 3/33600 700.0 2.917 1.591 2.721 0.000 0.038 0.000 3/33600 710.0 2.876 1.569 2.683 0.000 0.038 0.000 3/33600 720.0 2.837 1.547 2.647 0.000 0.037 0.000 3/33600 730.0 2.799 1.526 2.611 0.000 0.037 0.000 3/33600 740.0 2.761 1.506 2.576 0.000 0.036 0.000 3/33600 750.0 2.725 1.485 2.542 0.000 0.036 0.000 3/33600 760.0 2.690 1.466 2.509 0.000 0.035 0.000 3/33600 770.0 2.655 1.447 2.476 0.000 0.035 0.000 3/33600 780.0 2.621 1.429 2.445 0.000 0.035 0.000 3/33600 790.0 2.589 1.411 2.414 0.000 0.034 0.000 3/33600 800.0 2.557 1.393 2.385 0.000 0.034 0.000 3/33600 810.0 2.525 1.376 2.355 0.000 0.034 0.000 3/33600 820.0 2.495 1.359 2.327 0.000 0.033 0.000 3/33600 830.0 2.465 1.343 2.299 0.000 0.033 0.000 3/33600 840.0 2.436 1.327 2.272 0.000 0.032 0.000 3/33600 850.0 2.408 1.311 2.245 0.000 0.032 0.000 3/33600 860.0 2.380 1.296 2.220 0.000 0.032 0.000 3/33600 870.0 2.353 1.281 2.194 0.000 0.031 0.000 3/33600 880.0 2.327 1.267 2.170 0.000 0.031 0.000 3/33600 890.0 2.301 1.252 2.145 0.000 0.031 0.000 3/33600 900.0 2.275 1.239 2.122 0.000 0.031 0.000 3/33600 910.0 2.251 1.225 2.099 0.000 0.030 0.000 3/33600 920.0 2.226 1.212 2.076 0.000 0.030 0.000 3/33600 930.0 2.203 1.199 2.054 0.000 0.030 0.000 3/33600 940.0 2.179 1.186 2.032 0.000 0.029 0.000 3/33600 950.0 2.157 1.174 2.011 0.000 0.029 0.000 3/33600 960.0 2.134 1.161 1.990 0.000 0.029 0.000 3/33600 970.0 2.113 1.149 1.970 0.000 0.029 0.000 3/33600 980.0 2.091 1.138 1.950 0.000 0.028 0.000 3/33600 990.0 2.070 1.126 1.930 0.000 0.028 0.000 3/33600 1000.0 2.050 1.115 1.911 0.000 0.028 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m10108.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:05:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|