----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:35:34]------------------------- Compiled with OpenMP support (max 32 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: Cmce (64) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.742692749999999 -2.721843900000000 0.000000000000000 b 5.742692749999999 2.721843900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.440515660000000 Atomic positions (fractional): *1 O 0.99127194547522 0.50872805452478 0.75000000000000 15.999 2 O 0.50872805452478 0.99127194547522 0.25000000000000 15.999 3 O 0.00872805452478 0.49127194547522 0.25000000000000 15.999 4 O 0.49127194547522 0.00872805452478 0.75000000000000 15.999 *5 O 0.82915977756762 0.17084022243238 0.67084140307034 15.999 6 O 0.32915977756762 0.67084022243238 0.82915859692966 15.999 7 O 0.67084022243238 0.32915977756762 0.17084140307034 15.999 8 O 0.17084022243238 0.82915977756762 0.32915859692966 15.999 *9 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 10 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 *11 Lu 0.33904620516232 0.33904620516232 0.00000000000000 174.967 12 Lu 0.16095379483768 0.16095379483768 0.50000000000000 174.967 13 Lu 0.66095379483768 0.66095379483768 0.00000000000000 174.967 14 Lu 0.83904620516232 0.83904620516232 0.50000000000000 174.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.485385499999998 0.000000000000000 0.000000000000000 b 0.000000000000000 5.443687800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.440515660000000 Atomic positions (fractional): *1 O 0.25000000000000 0.25872805452478 0.75000000000000 15.999 > 1 2 O 0.25000000000000 0.74127194547522 0.25000000000000 15.999 > 2 3 O 0.25000000000000 0.24127194547522 0.25000000000000 15.999 > 3 4 O 0.25000000000000 0.75872805452478 0.75000000000000 15.999 > 4 *5 O 0.00000000000000 0.17084022243238 0.67084140307034 15.999 > 5 6 O 0.00000000000000 0.67084022243238 0.82915859692966 15.999 > 6 7 O 0.00000000000000 0.32915977756762 0.17084140307034 15.999 > 7 8 O 0.00000000000000 0.82915977756762 0.32915859692966 15.999 > 8 9 O 0.75000000000000 0.75872805452478 0.75000000000000 15.999 > 1 10 O 0.75000000000000 0.24127194547522 0.25000000000000 15.999 > 2 11 O 0.75000000000000 0.74127194547522 0.25000000000000 15.999 > 3 12 O 0.75000000000000 0.25872805452478 0.75000000000000 15.999 > 4 13 O 0.50000000000000 0.67084022243238 0.67084140307034 15.999 > 5 14 O 0.50000000000000 0.17084022243238 0.82915859692966 15.999 > 6 15 O 0.50000000000000 0.82915977756762 0.17084140307034 15.999 > 7 16 O 0.50000000000000 0.32915977756762 0.32915859692966 15.999 > 8 *17 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 9 18 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 10 19 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 9 20 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 > 10 *21 Lu 0.33904620516232 0.00000000000000 0.00000000000000 174.967 > 11 22 Lu 0.16095379483768 0.00000000000000 0.50000000000000 174.967 > 12 23 Lu 0.16095379483768 0.50000000000000 0.00000000000000 174.967 > 13 24 Lu 0.33904620516232 0.50000000000000 0.50000000000000 174.967 > 14 25 Lu 0.83904620516232 0.50000000000000 0.00000000000000 174.967 > 11 26 Lu 0.66095379483768 0.50000000000000 0.50000000000000 174.967 > 12 27 Lu 0.66095379483768 0.00000000000000 0.00000000000000 174.967 > 13 28 Lu 0.83904620516232 0.00000000000000 0.50000000000000 174.967 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.485385499999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.887375600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.881031320000000 Atomic positions (fractional): *1 O 0.25000000000000 0.12936402726239 0.37500000000000 15.999 > 1 2 O 0.25000000000000 0.62936402726239 0.37500000000000 15.999 > 1 3 O 0.25000000000000 0.12936402726239 0.87500000000000 15.999 > 1 4 O 0.25000000000000 0.62936402726239 0.87500000000000 15.999 > 1 5 O 0.25000000000000 0.37063597273761 0.12500000000000 15.999 > 2 6 O 0.25000000000000 0.87063597273761 0.12500000000000 15.999 > 2 7 O 0.25000000000000 0.37063597273761 0.62500000000000 15.999 > 2 8 O 0.25000000000000 0.87063597273761 0.62500000000000 15.999 > 2 9 O 0.25000000000000 0.12063597273761 0.12500000000000 15.999 > 3 10 O 0.25000000000000 0.62063597273761 0.12500000000000 15.999 > 3 11 O 0.25000000000000 0.12063597273761 0.62500000000000 15.999 > 3 12 O 0.25000000000000 0.62063597273761 0.62500000000000 15.999 > 3 13 O 0.25000000000000 0.37936402726239 0.37500000000000 15.999 > 4 14 O 0.25000000000000 0.87936402726239 0.37500000000000 15.999 > 4 15 O 0.25000000000000 0.37936402726239 0.87500000000000 15.999 > 4 16 O 0.25000000000000 0.87936402726239 0.87500000000000 15.999 > 4 *17 O 0.00000000000000 0.08542011121619 0.33542070153517 15.999 > 5 18 O 0.00000000000000 0.58542011121619 0.33542070153517 15.999 > 5 19 O 0.00000000000000 0.08542011121619 0.83542070153517 15.999 > 5 20 O 0.00000000000000 0.58542011121619 0.83542070153517 15.999 > 5 21 O 0.00000000000000 0.33542011121619 0.41457929846483 15.999 > 6 22 O 0.00000000000000 0.83542011121619 0.41457929846483 15.999 > 6 23 O 0.00000000000000 0.33542011121619 0.91457929846483 15.999 > 6 24 O 0.00000000000000 0.83542011121619 0.91457929846483 15.999 > 6 25 O 0.00000000000000 0.16457988878381 0.08542070153517 15.999 > 7 26 O 0.00000000000000 0.66457988878381 0.08542070153517 15.999 > 7 27 O 0.00000000000000 0.16457988878381 0.58542070153517 15.999 > 7 28 O 0.00000000000000 0.66457988878381 0.58542070153517 15.999 > 7 29 O 0.00000000000000 0.41457988878381 0.16457929846483 15.999 > 8 30 O 0.00000000000000 0.91457988878381 0.16457929846483 15.999 > 8 31 O 0.00000000000000 0.41457988878381 0.66457929846483 15.999 > 8 32 O 0.00000000000000 0.91457988878381 0.66457929846483 15.999 > 8 33 O 0.75000000000000 0.37936402726239 0.37500000000000 15.999 > 1 34 O 0.75000000000000 0.87936402726239 0.37500000000000 15.999 > 1 35 O 0.75000000000000 0.37936402726239 0.87500000000000 15.999 > 1 36 O 0.75000000000000 0.87936402726239 0.87500000000000 15.999 > 1 37 O 0.75000000000000 0.12063597273761 0.12500000000000 15.999 > 2 38 O 0.75000000000000 0.62063597273761 0.12500000000000 15.999 > 2 39 O 0.75000000000000 0.12063597273761 0.62500000000000 15.999 > 2 40 O 0.75000000000000 0.62063597273761 0.62500000000000 15.999 > 2 41 O 0.75000000000000 0.37063597273761 0.12500000000000 15.999 > 3 42 O 0.75000000000000 0.87063597273761 0.12500000000000 15.999 > 3 43 O 0.75000000000000 0.37063597273761 0.62500000000000 15.999 > 3 44 O 0.75000000000000 0.87063597273761 0.62500000000000 15.999 > 3 45 O 0.75000000000000 0.12936402726239 0.37500000000000 15.999 > 4 46 O 0.75000000000000 0.62936402726239 0.37500000000000 15.999 > 4 47 O 0.75000000000000 0.12936402726239 0.87500000000000 15.999 > 4 48 O 0.75000000000000 0.62936402726239 0.87500000000000 15.999 > 4 49 O 0.50000000000000 0.33542011121619 0.33542070153517 15.999 > 5 50 O 0.50000000000000 0.83542011121619 0.33542070153517 15.999 > 5 51 O 0.50000000000000 0.33542011121619 0.83542070153517 15.999 > 5 52 O 0.50000000000000 0.83542011121619 0.83542070153517 15.999 > 5 53 O 0.50000000000000 0.08542011121619 0.41457929846483 15.999 > 6 54 O 0.50000000000000 0.58542011121619 0.41457929846483 15.999 > 6 55 O 0.50000000000000 0.08542011121619 0.91457929846483 15.999 > 6 56 O 0.50000000000000 0.58542011121619 0.91457929846483 15.999 > 6 57 O 0.50000000000000 0.41457988878381 0.08542070153517 15.999 > 7 58 O 0.50000000000000 0.91457988878381 0.08542070153517 15.999 > 7 59 O 0.50000000000000 0.41457988878381 0.58542070153517 15.999 > 7 60 O 0.50000000000000 0.91457988878381 0.58542070153517 15.999 > 7 61 O 0.50000000000000 0.16457988878381 0.16457929846483 15.999 > 8 62 O 0.50000000000000 0.66457988878381 0.16457929846483 15.999 > 8 63 O 0.50000000000000 0.16457988878381 0.66457929846483 15.999 > 8 64 O 0.50000000000000 0.66457988878381 0.66457929846483 15.999 > 8 *65 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 9 66 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 9 67 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 9 68 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 9 69 Pd 0.00000000000000 0.25000000000000 0.25000000000000 106.420 > 10 70 Pd 0.00000000000000 0.75000000000000 0.25000000000000 106.420 > 10 71 Pd 0.00000000000000 0.25000000000000 0.75000000000000 106.420 > 10 72 Pd 0.00000000000000 0.75000000000000 0.75000000000000 106.420 > 10 73 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 9 74 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 9 75 Pd 0.50000000000000 0.25000000000000 0.50000000000000 106.420 > 9 76 Pd 0.50000000000000 0.75000000000000 0.50000000000000 106.420 > 9 77 Pd 0.50000000000000 0.00000000000000 0.25000000000000 106.420 > 10 78 Pd 0.50000000000000 0.50000000000000 0.25000000000000 106.420 > 10 79 Pd 0.50000000000000 0.00000000000000 0.75000000000000 106.420 > 10 80 Pd 0.50000000000000 0.50000000000000 0.75000000000000 106.420 > 10 *81 Lu 0.33904620516232 0.00000000000000 0.00000000000000 174.967 > 11 82 Lu 0.33904620516232 0.50000000000000 0.00000000000000 174.967 > 11 83 Lu 0.33904620516232 0.00000000000000 0.50000000000000 174.967 > 11 84 Lu 0.33904620516232 0.50000000000000 0.50000000000000 174.967 > 11 85 Lu 0.16095379483768 0.00000000000000 0.25000000000000 174.967 > 12 86 Lu 0.16095379483768 0.50000000000000 0.25000000000000 174.967 > 12 87 Lu 0.16095379483768 0.00000000000000 0.75000000000000 174.967 > 12 88 Lu 0.16095379483768 0.50000000000000 0.75000000000000 174.967 > 12 89 Lu 0.16095379483768 0.25000000000000 0.00000000000000 174.967 > 13 90 Lu 0.16095379483768 0.75000000000000 0.00000000000000 174.967 > 13 91 Lu 0.16095379483768 0.25000000000000 0.50000000000000 174.967 > 13 92 Lu 0.16095379483768 0.75000000000000 0.50000000000000 174.967 > 13 93 Lu 0.33904620516232 0.25000000000000 0.25000000000000 174.967 > 14 94 Lu 0.33904620516232 0.75000000000000 0.25000000000000 174.967 > 14 95 Lu 0.33904620516232 0.25000000000000 0.75000000000000 174.967 > 14 96 Lu 0.33904620516232 0.75000000000000 0.75000000000000 174.967 > 14 97 Lu 0.83904620516232 0.25000000000000 0.00000000000000 174.967 > 11 98 Lu 0.83904620516232 0.75000000000000 0.00000000000000 174.967 > 11 99 Lu 0.83904620516232 0.25000000000000 0.50000000000000 174.967 > 11 100 Lu 0.83904620516232 0.75000000000000 0.50000000000000 174.967 > 11 101 Lu 0.66095379483768 0.25000000000000 0.25000000000000 174.967 > 12 102 Lu 0.66095379483768 0.75000000000000 0.25000000000000 174.967 > 12 103 Lu 0.66095379483768 0.25000000000000 0.75000000000000 174.967 > 12 104 Lu 0.66095379483768 0.75000000000000 0.75000000000000 174.967 > 12 105 Lu 0.66095379483768 0.00000000000000 0.00000000000000 174.967 > 13 106 Lu 0.66095379483768 0.50000000000000 0.00000000000000 174.967 > 13 107 Lu 0.66095379483768 0.00000000000000 0.50000000000000 174.967 > 13 108 Lu 0.66095379483768 0.50000000000000 0.50000000000000 174.967 > 13 109 Lu 0.83904620516232 0.00000000000000 0.25000000000000 174.967 > 14 110 Lu 0.83904620516232 0.50000000000000 0.25000000000000 174.967 > 14 111 Lu 0.83904620516232 0.00000000000000 0.75000000000000 174.967 > 14 112 Lu 0.83904620516232 0.50000000000000 0.75000000000000 174.967 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5222331 0.0000000 0.0000000 0.0000000 8.8595231 0.0000000 0.0000000 0.0000000 8.8590159 -------------------------- Born effective charges -------------------------- 1 O -2.1840570 0.0000000 0.0424299 0.0000000 -2.6214893 0.0000000 0.1162567 0.0000000 -2.6398174 2 O -2.1840570 0.0000000 -0.0424299 0.0000000 -2.6214893 0.0000000 -0.1162567 0.0000000 -2.6398174 3 O -2.1840570 0.0000000 0.0424299 0.0000000 -2.6214893 0.0000000 0.1162567 0.0000000 -2.6398174 4 O -2.1840570 0.0000000 -0.0424299 0.0000000 -2.6214893 0.0000000 -0.1162567 0.0000000 -2.6398174 5 O -1.5002378 0.0000000 0.0000000 0.0000000 -1.9457289 0.8874050 0.0000000 0.8796415 -1.9469343 6 O -1.5002378 0.0000000 0.0000000 0.0000000 -1.9457289 -0.8874050 0.0000000 -0.8796415 -1.9469343 7 O -1.5002378 0.0000000 0.0000000 0.0000000 -1.9457289 -0.8874050 0.0000000 -0.8796415 -1.9469343 8 O -1.5002378 0.0000000 0.0000000 0.0000000 -1.9457289 0.8874050 0.0000000 0.8796415 -1.9469343 9 Pd -0.1523322 0.0000000 0.0000000 0.0000000 1.5477435 -1.0332124 0.0000000 1.0497082 1.5503632 10 Pd -0.1523322 0.0000000 0.0000000 0.0000000 1.5477435 1.0332124 0.0000000 -1.0497082 1.5503632 11 Lu 3.7604609 0.0000000 0.0000000 0.0000000 3.7933465 -0.2508886 0.0000000 -0.1746665 3.8115701 12 Lu 3.7604609 0.0000000 0.0000000 0.0000000 3.7933465 0.2508886 0.0000000 0.1746665 3.8115701 13 Lu 3.7604609 0.0000000 0.0000000 0.0000000 3.7933465 -0.2508886 0.0000000 -0.1746665 3.8115701 14 Lu 3.7604609 0.0000000 0.0000000 0.0000000 3.7933465 0.2508886 0.0000000 0.1746665 3.8115701 ---------------------------------------------------------------------------- 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: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 997 Number of blocks in projector: 997 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: 234 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 153 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 153 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 153 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (997, 977), data: False |-- (144, 144), data: True |-- (153, 149), data: True |-- (153, 149), data: True |-- (153, 149), data: True |-- (160, 158), data: True |-- (234, 228), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.271 Solver_block: 200 / 240 - Time: 0.269 Solver_block: 240 / 240 - Time: 0.124 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.678 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 997 Number of blocks in projector: 997 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: 234 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 153 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 153 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 153 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (997, 977), data: False |-- (144, 144), data: True |-- (153, 149), data: True |-- (153, 149), data: True |-- (153, 149), data: True |-- (160, 158), data: True |-- (234, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:35:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:35:46]------------------------- Compiled with OpenMP support (max 32 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: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.742692749999999 -2.721843900000000 0.000000000000000 b 5.742692749999999 2.721843900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.440515660000000 Atomic positions (fractional): 1 O 0.99127194547522 0.50872805452478 0.75000000000000 15.999 2 O 0.50872805452478 0.99127194547522 0.25000000000000 15.999 3 O 0.00872805452478 0.49127194547522 0.25000000000000 15.999 4 O 0.49127194547522 0.00872805452478 0.75000000000000 15.999 5 O 0.82915977756762 0.17084022243238 0.67084140307034 15.999 6 O 0.32915977756762 0.67084022243238 0.82915859692966 15.999 7 O 0.67084022243238 0.32915977756762 0.17084140307034 15.999 8 O 0.17084022243238 0.82915977756762 0.32915859692966 15.999 9 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 10 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 11 Lu 0.33904620516232 0.33904620516232 0.00000000000000 174.967 12 Lu 0.16095379483768 0.16095379483768 0.50000000000000 174.967 13 Lu 0.66095379483768 0.66095379483768 0.00000000000000 174.967 14 Lu 0.83904620516232 0.83904620516232 0.50000000000000 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.485385499999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.887375600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.881031320000000 Atomic positions (fractional): 1 O 0.25000000000000 0.12936402726239 0.37500000000000 15.999 > 1 2 O 0.25000000000000 0.62936402726239 0.37500000000000 15.999 > 1 3 O 0.25000000000000 0.12936402726239 0.87500000000000 15.999 > 1 4 O 0.25000000000000 0.62936402726239 0.87500000000000 15.999 > 1 5 O 0.25000000000000 0.37063597273761 0.12500000000000 15.999 > 5 6 O 0.25000000000000 0.87063597273761 0.12500000000000 15.999 > 5 7 O 0.25000000000000 0.37063597273761 0.62500000000000 15.999 > 5 8 O 0.25000000000000 0.87063597273761 0.62500000000000 15.999 > 5 9 O 0.25000000000000 0.12063597273761 0.12500000000000 15.999 > 9 10 O 0.25000000000000 0.62063597273761 0.12500000000000 15.999 > 9 11 O 0.25000000000000 0.12063597273761 0.62500000000000 15.999 > 9 12 O 0.25000000000000 0.62063597273761 0.62500000000000 15.999 > 9 13 O 0.25000000000000 0.37936402726239 0.37500000000000 15.999 > 13 14 O 0.25000000000000 0.87936402726239 0.37500000000000 15.999 > 13 15 O 0.25000000000000 0.37936402726239 0.87500000000000 15.999 > 13 16 O 0.25000000000000 0.87936402726239 0.87500000000000 15.999 > 13 17 O 0.00000000000000 0.08542011121619 0.33542070153517 15.999 > 17 18 O 0.00000000000000 0.58542011121619 0.33542070153517 15.999 > 17 19 O 0.00000000000000 0.08542011121619 0.83542070153517 15.999 > 17 20 O 0.00000000000000 0.58542011121619 0.83542070153517 15.999 > 17 21 O 0.00000000000000 0.33542011121619 0.41457929846483 15.999 > 21 22 O 0.00000000000000 0.83542011121619 0.41457929846483 15.999 > 21 23 O 0.00000000000000 0.33542011121619 0.91457929846483 15.999 > 21 24 O 0.00000000000000 0.83542011121619 0.91457929846483 15.999 > 21 25 O 0.00000000000000 0.16457988878381 0.08542070153517 15.999 > 25 26 O 0.00000000000000 0.66457988878381 0.08542070153517 15.999 > 25 27 O 0.00000000000000 0.16457988878381 0.58542070153517 15.999 > 25 28 O 0.00000000000000 0.66457988878381 0.58542070153517 15.999 > 25 29 O 0.00000000000000 0.41457988878381 0.16457929846483 15.999 > 29 30 O 0.00000000000000 0.91457988878381 0.16457929846483 15.999 > 29 31 O 0.00000000000000 0.41457988878381 0.66457929846483 15.999 > 29 32 O 0.00000000000000 0.91457988878381 0.66457929846483 15.999 > 29 33 O 0.75000000000000 0.37936402726239 0.37500000000000 15.999 > 1 34 O 0.75000000000000 0.87936402726239 0.37500000000000 15.999 > 1 35 O 0.75000000000000 0.37936402726239 0.87500000000000 15.999 > 1 36 O 0.75000000000000 0.87936402726239 0.87500000000000 15.999 > 1 37 O 0.75000000000000 0.12063597273761 0.12500000000000 15.999 > 5 38 O 0.75000000000000 0.62063597273761 0.12500000000000 15.999 > 5 39 O 0.75000000000000 0.12063597273761 0.62500000000000 15.999 > 5 40 O 0.75000000000000 0.62063597273761 0.62500000000000 15.999 > 5 41 O 0.75000000000000 0.37063597273761 0.12500000000000 15.999 > 9 42 O 0.75000000000000 0.87063597273761 0.12500000000000 15.999 > 9 43 O 0.75000000000000 0.37063597273761 0.62500000000000 15.999 > 9 44 O 0.75000000000000 0.87063597273761 0.62500000000000 15.999 > 9 45 O 0.75000000000000 0.12936402726239 0.37500000000000 15.999 > 13 46 O 0.75000000000000 0.62936402726239 0.37500000000000 15.999 > 13 47 O 0.75000000000000 0.12936402726239 0.87500000000000 15.999 > 13 48 O 0.75000000000000 0.62936402726239 0.87500000000000 15.999 > 13 49 O 0.50000000000000 0.33542011121619 0.33542070153517 15.999 > 17 50 O 0.50000000000000 0.83542011121619 0.33542070153517 15.999 > 17 51 O 0.50000000000000 0.33542011121619 0.83542070153517 15.999 > 17 52 O 0.50000000000000 0.83542011121619 0.83542070153517 15.999 > 17 53 O 0.50000000000000 0.08542011121619 0.41457929846483 15.999 > 21 54 O 0.50000000000000 0.58542011121619 0.41457929846483 15.999 > 21 55 O 0.50000000000000 0.08542011121619 0.91457929846483 15.999 > 21 56 O 0.50000000000000 0.58542011121619 0.91457929846483 15.999 > 21 57 O 0.50000000000000 0.41457988878381 0.08542070153517 15.999 > 25 58 O 0.50000000000000 0.91457988878381 0.08542070153517 15.999 > 25 59 O 0.50000000000000 0.41457988878381 0.58542070153517 15.999 > 25 60 O 0.50000000000000 0.91457988878381 0.58542070153517 15.999 > 25 61 O 0.50000000000000 0.16457988878381 0.16457929846483 15.999 > 29 62 O 0.50000000000000 0.66457988878381 0.16457929846483 15.999 > 29 63 O 0.50000000000000 0.16457988878381 0.66457929846483 15.999 > 29 64 O 0.50000000000000 0.66457988878381 0.66457929846483 15.999 > 29 65 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 65 66 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 65 67 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 65 68 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 65 69 Pd 0.00000000000000 0.25000000000000 0.25000000000000 106.420 > 69 70 Pd 0.00000000000000 0.75000000000000 0.25000000000000 106.420 > 69 71 Pd 0.00000000000000 0.25000000000000 0.75000000000000 106.420 > 69 72 Pd 0.00000000000000 0.75000000000000 0.75000000000000 106.420 > 69 73 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 65 74 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 65 75 Pd 0.50000000000000 0.25000000000000 0.50000000000000 106.420 > 65 76 Pd 0.50000000000000 0.75000000000000 0.50000000000000 106.420 > 65 77 Pd 0.50000000000000 0.00000000000000 0.25000000000000 106.420 > 69 78 Pd 0.50000000000000 0.50000000000000 0.25000000000000 106.420 > 69 79 Pd 0.50000000000000 0.00000000000000 0.75000000000000 106.420 > 69 80 Pd 0.50000000000000 0.50000000000000 0.75000000000000 106.420 > 69 81 Lu 0.33904620516232 0.00000000000000 0.00000000000000 174.967 > 81 82 Lu 0.33904620516232 0.50000000000000 0.00000000000000 174.967 > 81 83 Lu 0.33904620516232 0.00000000000000 0.50000000000000 174.967 > 81 84 Lu 0.33904620516232 0.50000000000000 0.50000000000000 174.967 > 81 85 Lu 0.16095379483768 0.00000000000000 0.25000000000000 174.967 > 85 86 Lu 0.16095379483768 0.50000000000000 0.25000000000000 174.967 > 85 87 Lu 0.16095379483768 0.00000000000000 0.75000000000000 174.967 > 85 88 Lu 0.16095379483768 0.50000000000000 0.75000000000000 174.967 > 85 89 Lu 0.16095379483768 0.25000000000000 0.00000000000000 174.967 > 89 90 Lu 0.16095379483768 0.75000000000000 0.00000000000000 174.967 > 89 91 Lu 0.16095379483768 0.25000000000000 0.50000000000000 174.967 > 89 92 Lu 0.16095379483768 0.75000000000000 0.50000000000000 174.967 > 89 93 Lu 0.33904620516232 0.25000000000000 0.25000000000000 174.967 > 93 94 Lu 0.33904620516232 0.75000000000000 0.25000000000000 174.967 > 93 95 Lu 0.33904620516232 0.25000000000000 0.75000000000000 174.967 > 93 96 Lu 0.33904620516232 0.75000000000000 0.75000000000000 174.967 > 93 97 Lu 0.83904620516232 0.25000000000000 0.00000000000000 174.967 > 81 98 Lu 0.83904620516232 0.75000000000000 0.00000000000000 174.967 > 81 99 Lu 0.83904620516232 0.25000000000000 0.50000000000000 174.967 > 81 100 Lu 0.83904620516232 0.75000000000000 0.50000000000000 174.967 > 81 101 Lu 0.66095379483768 0.25000000000000 0.25000000000000 174.967 > 85 102 Lu 0.66095379483768 0.75000000000000 0.25000000000000 174.967 > 85 103 Lu 0.66095379483768 0.25000000000000 0.75000000000000 174.967 > 85 104 Lu 0.66095379483768 0.75000000000000 0.75000000000000 174.967 > 85 105 Lu 0.66095379483768 0.00000000000000 0.00000000000000 174.967 > 89 106 Lu 0.66095379483768 0.50000000000000 0.00000000000000 174.967 > 89 107 Lu 0.66095379483768 0.00000000000000 0.50000000000000 174.967 > 89 108 Lu 0.66095379483768 0.50000000000000 0.50000000000000 174.967 > 89 109 Lu 0.83904620516232 0.00000000000000 0.25000000000000 174.967 > 93 110 Lu 0.83904620516232 0.50000000000000 0.25000000000000 174.967 > 93 111 Lu 0.83904620516232 0.00000000000000 0.75000000000000 174.967 > 93 112 Lu 0.83904620516232 0.50000000000000 0.75000000000000 174.967 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5222331 0.0000000 0.0000000 0.0000000 8.8595231 0.0000000 0.0000000 0.0000000 8.8590159 -------------------------- Born effective charges -------------------------- 1 O -2.1840570 0.0000000 0.0424299 0.0000000 -2.6214893 0.0000000 0.1162567 0.0000000 -2.6398174 2 O -2.1840570 0.0000000 -0.0424299 0.0000000 -2.6214893 0.0000000 -0.1162567 0.0000000 -2.6398174 3 O -2.1840570 0.0000000 0.0424299 0.0000000 -2.6214893 0.0000000 0.1162567 0.0000000 -2.6398174 4 O -2.1840570 0.0000000 -0.0424299 0.0000000 -2.6214893 0.0000000 -0.1162567 0.0000000 -2.6398174 5 O -1.5002378 0.0000000 0.0000000 0.0000000 -1.9457289 0.8874050 0.0000000 0.8796415 -1.9469343 6 O -1.5002378 0.0000000 0.0000000 0.0000000 -1.9457289 -0.8874050 0.0000000 -0.8796415 -1.9469343 7 O -1.5002378 0.0000000 0.0000000 0.0000000 -1.9457289 -0.8874050 0.0000000 -0.8796415 -1.9469343 8 O -1.5002378 0.0000000 0.0000000 0.0000000 -1.9457289 0.8874050 0.0000000 0.8796415 -1.9469343 9 Pd -0.1523322 0.0000000 0.0000000 0.0000000 1.5477435 -1.0332124 0.0000000 1.0497082 1.5503632 10 Pd -0.1523322 0.0000000 0.0000000 0.0000000 1.5477435 1.0332124 0.0000000 -1.0497082 1.5503632 11 Lu 3.7604609 0.0000000 0.0000000 0.0000000 3.7933465 -0.2508886 0.0000000 -0.1746665 3.8115701 12 Lu 3.7604609 0.0000000 0.0000000 0.0000000 3.7933465 0.2508886 0.0000000 0.1746665 3.8115701 13 Lu 3.7604609 0.0000000 0.0000000 0.0000000 3.7933465 -0.2508886 0.0000000 -0.1746665 3.8115701 14 Lu 3.7604609 0.0000000 0.0000000 0.0000000 3.7933465 0.2508886 0.0000000 0.1746665 3.8115701 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000007 (yxy) 0.00000007 (yxy) 0.00000007 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:36:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:36:02]------------------------- Compiled with OpenMP support (max 32 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: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.742692749999999 -2.721843900000000 0.000000000000000 b 5.742692749999999 2.721843900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.440515660000000 Atomic positions (fractional): 1 O 0.99127194547522 0.50872805452478 0.75000000000000 15.999 2 O 0.50872805452478 0.99127194547522 0.25000000000000 15.999 3 O 0.00872805452478 0.49127194547522 0.25000000000000 15.999 4 O 0.49127194547522 0.00872805452478 0.75000000000000 15.999 5 O 0.82915977756762 0.17084022243238 0.67084140307034 15.999 6 O 0.32915977756762 0.67084022243238 0.82915859692966 15.999 7 O 0.67084022243238 0.32915977756762 0.17084140307034 15.999 8 O 0.17084022243238 0.82915977756762 0.32915859692966 15.999 9 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 10 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 11 Lu 0.33904620516232 0.33904620516232 0.00000000000000 174.967 12 Lu 0.16095379483768 0.16095379483768 0.50000000000000 174.967 13 Lu 0.66095379483768 0.66095379483768 0.00000000000000 174.967 14 Lu 0.83904620516232 0.83904620516232 0.50000000000000 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.485385499999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.887375600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.881031320000000 Atomic positions (fractional): 1 O 0.25000000000000 0.12936402726239 0.37500000000000 15.999 > 1 2 O 0.25000000000000 0.62936402726239 0.37500000000000 15.999 > 1 3 O 0.25000000000000 0.12936402726239 0.87500000000000 15.999 > 1 4 O 0.25000000000000 0.62936402726239 0.87500000000000 15.999 > 1 5 O 0.25000000000000 0.37063597273761 0.12500000000000 15.999 > 5 6 O 0.25000000000000 0.87063597273761 0.12500000000000 15.999 > 5 7 O 0.25000000000000 0.37063597273761 0.62500000000000 15.999 > 5 8 O 0.25000000000000 0.87063597273761 0.62500000000000 15.999 > 5 9 O 0.25000000000000 0.12063597273761 0.12500000000000 15.999 > 9 10 O 0.25000000000000 0.62063597273761 0.12500000000000 15.999 > 9 11 O 0.25000000000000 0.12063597273761 0.62500000000000 15.999 > 9 12 O 0.25000000000000 0.62063597273761 0.62500000000000 15.999 > 9 13 O 0.25000000000000 0.37936402726239 0.37500000000000 15.999 > 13 14 O 0.25000000000000 0.87936402726239 0.37500000000000 15.999 > 13 15 O 0.25000000000000 0.37936402726239 0.87500000000000 15.999 > 13 16 O 0.25000000000000 0.87936402726239 0.87500000000000 15.999 > 13 17 O 0.00000000000000 0.08542011121619 0.33542070153517 15.999 > 17 18 O 0.00000000000000 0.58542011121619 0.33542070153517 15.999 > 17 19 O 0.00000000000000 0.08542011121619 0.83542070153517 15.999 > 17 20 O 0.00000000000000 0.58542011121619 0.83542070153517 15.999 > 17 21 O 0.00000000000000 0.33542011121619 0.41457929846483 15.999 > 21 22 O 0.00000000000000 0.83542011121619 0.41457929846483 15.999 > 21 23 O 0.00000000000000 0.33542011121619 0.91457929846483 15.999 > 21 24 O 0.00000000000000 0.83542011121619 0.91457929846483 15.999 > 21 25 O 0.00000000000000 0.16457988878381 0.08542070153517 15.999 > 25 26 O 0.00000000000000 0.66457988878381 0.08542070153517 15.999 > 25 27 O 0.00000000000000 0.16457988878381 0.58542070153517 15.999 > 25 28 O 0.00000000000000 0.66457988878381 0.58542070153517 15.999 > 25 29 O 0.00000000000000 0.41457988878381 0.16457929846483 15.999 > 29 30 O 0.00000000000000 0.91457988878381 0.16457929846483 15.999 > 29 31 O 0.00000000000000 0.41457988878381 0.66457929846483 15.999 > 29 32 O 0.00000000000000 0.91457988878381 0.66457929846483 15.999 > 29 33 O 0.75000000000000 0.37936402726239 0.37500000000000 15.999 > 1 34 O 0.75000000000000 0.87936402726239 0.37500000000000 15.999 > 1 35 O 0.75000000000000 0.37936402726239 0.87500000000000 15.999 > 1 36 O 0.75000000000000 0.87936402726239 0.87500000000000 15.999 > 1 37 O 0.75000000000000 0.12063597273761 0.12500000000000 15.999 > 5 38 O 0.75000000000000 0.62063597273761 0.12500000000000 15.999 > 5 39 O 0.75000000000000 0.12063597273761 0.62500000000000 15.999 > 5 40 O 0.75000000000000 0.62063597273761 0.62500000000000 15.999 > 5 41 O 0.75000000000000 0.37063597273761 0.12500000000000 15.999 > 9 42 O 0.75000000000000 0.87063597273761 0.12500000000000 15.999 > 9 43 O 0.75000000000000 0.37063597273761 0.62500000000000 15.999 > 9 44 O 0.75000000000000 0.87063597273761 0.62500000000000 15.999 > 9 45 O 0.75000000000000 0.12936402726239 0.37500000000000 15.999 > 13 46 O 0.75000000000000 0.62936402726239 0.37500000000000 15.999 > 13 47 O 0.75000000000000 0.12936402726239 0.87500000000000 15.999 > 13 48 O 0.75000000000000 0.62936402726239 0.87500000000000 15.999 > 13 49 O 0.50000000000000 0.33542011121619 0.33542070153517 15.999 > 17 50 O 0.50000000000000 0.83542011121619 0.33542070153517 15.999 > 17 51 O 0.50000000000000 0.33542011121619 0.83542070153517 15.999 > 17 52 O 0.50000000000000 0.83542011121619 0.83542070153517 15.999 > 17 53 O 0.50000000000000 0.08542011121619 0.41457929846483 15.999 > 21 54 O 0.50000000000000 0.58542011121619 0.41457929846483 15.999 > 21 55 O 0.50000000000000 0.08542011121619 0.91457929846483 15.999 > 21 56 O 0.50000000000000 0.58542011121619 0.91457929846483 15.999 > 21 57 O 0.50000000000000 0.41457988878381 0.08542070153517 15.999 > 25 58 O 0.50000000000000 0.91457988878381 0.08542070153517 15.999 > 25 59 O 0.50000000000000 0.41457988878381 0.58542070153517 15.999 > 25 60 O 0.50000000000000 0.91457988878381 0.58542070153517 15.999 > 25 61 O 0.50000000000000 0.16457988878381 0.16457929846483 15.999 > 29 62 O 0.50000000000000 0.66457988878381 0.16457929846483 15.999 > 29 63 O 0.50000000000000 0.16457988878381 0.66457929846483 15.999 > 29 64 O 0.50000000000000 0.66457988878381 0.66457929846483 15.999 > 29 65 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 65 66 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 65 67 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 65 68 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 65 69 Pd 0.00000000000000 0.25000000000000 0.25000000000000 106.420 > 69 70 Pd 0.00000000000000 0.75000000000000 0.25000000000000 106.420 > 69 71 Pd 0.00000000000000 0.25000000000000 0.75000000000000 106.420 > 69 72 Pd 0.00000000000000 0.75000000000000 0.75000000000000 106.420 > 69 73 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 65 74 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 65 75 Pd 0.50000000000000 0.25000000000000 0.50000000000000 106.420 > 65 76 Pd 0.50000000000000 0.75000000000000 0.50000000000000 106.420 > 65 77 Pd 0.50000000000000 0.00000000000000 0.25000000000000 106.420 > 69 78 Pd 0.50000000000000 0.50000000000000 0.25000000000000 106.420 > 69 79 Pd 0.50000000000000 0.00000000000000 0.75000000000000 106.420 > 69 80 Pd 0.50000000000000 0.50000000000000 0.75000000000000 106.420 > 69 81 Lu 0.33904620516232 0.00000000000000 0.00000000000000 174.967 > 81 82 Lu 0.33904620516232 0.50000000000000 0.00000000000000 174.967 > 81 83 Lu 0.33904620516232 0.00000000000000 0.50000000000000 174.967 > 81 84 Lu 0.33904620516232 0.50000000000000 0.50000000000000 174.967 > 81 85 Lu 0.16095379483768 0.00000000000000 0.25000000000000 174.967 > 85 86 Lu 0.16095379483768 0.50000000000000 0.25000000000000 174.967 > 85 87 Lu 0.16095379483768 0.00000000000000 0.75000000000000 174.967 > 85 88 Lu 0.16095379483768 0.50000000000000 0.75000000000000 174.967 > 85 89 Lu 0.16095379483768 0.25000000000000 0.00000000000000 174.967 > 89 90 Lu 0.16095379483768 0.75000000000000 0.00000000000000 174.967 > 89 91 Lu 0.16095379483768 0.25000000000000 0.50000000000000 174.967 > 89 92 Lu 0.16095379483768 0.75000000000000 0.50000000000000 174.967 > 89 93 Lu 0.33904620516232 0.25000000000000 0.25000000000000 174.967 > 93 94 Lu 0.33904620516232 0.75000000000000 0.25000000000000 174.967 > 93 95 Lu 0.33904620516232 0.25000000000000 0.75000000000000 174.967 > 93 96 Lu 0.33904620516232 0.75000000000000 0.75000000000000 174.967 > 93 97 Lu 0.83904620516232 0.25000000000000 0.00000000000000 174.967 > 81 98 Lu 0.83904620516232 0.75000000000000 0.00000000000000 174.967 > 81 99 Lu 0.83904620516232 0.25000000000000 0.50000000000000 174.967 > 81 100 Lu 0.83904620516232 0.75000000000000 0.50000000000000 174.967 > 81 101 Lu 0.66095379483768 0.25000000000000 0.25000000000000 174.967 > 85 102 Lu 0.66095379483768 0.75000000000000 0.25000000000000 174.967 > 85 103 Lu 0.66095379483768 0.25000000000000 0.75000000000000 174.967 > 85 104 Lu 0.66095379483768 0.75000000000000 0.75000000000000 174.967 > 85 105 Lu 0.66095379483768 0.00000000000000 0.00000000000000 174.967 > 89 106 Lu 0.66095379483768 0.50000000000000 0.00000000000000 174.967 > 89 107 Lu 0.66095379483768 0.00000000000000 0.50000000000000 174.967 > 89 108 Lu 0.66095379483768 0.50000000000000 0.50000000000000 174.967 > 89 109 Lu 0.83904620516232 0.00000000000000 0.25000000000000 174.967 > 93 110 Lu 0.83904620516232 0.50000000000000 0.25000000000000 174.967 > 93 111 Lu 0.83904620516232 0.00000000000000 0.75000000000000 174.967 > 93 112 Lu 0.83904620516232 0.50000000000000 0.75000000000000 174.967 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5222331 0.0000000 0.0000000 0.0000000 8.8595231 0.0000000 0.0000000 0.0000000 8.8590159 -------------------------- Born effective charges -------------------------- 1 O -2.1840570 0.0000000 0.0424299 0.0000000 -2.6214893 0.0000000 0.1162567 0.0000000 -2.6398174 2 O -2.1840570 0.0000000 -0.0424299 0.0000000 -2.6214893 0.0000000 -0.1162567 0.0000000 -2.6398174 3 O -2.1840570 0.0000000 0.0424299 0.0000000 -2.6214893 0.0000000 0.1162567 0.0000000 -2.6398174 4 O -2.1840570 0.0000000 -0.0424299 0.0000000 -2.6214893 0.0000000 -0.1162567 0.0000000 -2.6398174 5 O -1.5002378 0.0000000 0.0000000 0.0000000 -1.9457289 0.8874050 0.0000000 0.8796415 -1.9469343 6 O -1.5002378 0.0000000 0.0000000 0.0000000 -1.9457289 -0.8874050 0.0000000 -0.8796415 -1.9469343 7 O -1.5002378 0.0000000 0.0000000 0.0000000 -1.9457289 -0.8874050 0.0000000 -0.8796415 -1.9469343 8 O -1.5002378 0.0000000 0.0000000 0.0000000 -1.9457289 0.8874050 0.0000000 0.8796415 -1.9469343 9 Pd -0.1523322 0.0000000 0.0000000 0.0000000 1.5477435 -1.0332124 0.0000000 1.0497082 1.5503632 10 Pd -0.1523322 0.0000000 0.0000000 0.0000000 1.5477435 1.0332124 0.0000000 -1.0497082 1.5503632 11 Lu 3.7604609 0.0000000 0.0000000 0.0000000 3.7933465 -0.2508886 0.0000000 -0.1746665 3.8115701 12 Lu 3.7604609 0.0000000 0.0000000 0.0000000 3.7933465 0.2508886 0.0000000 0.1746665 3.8115701 13 Lu 3.7604609 0.0000000 0.0000000 0.0000000 3.7933465 -0.2508886 0.0000000 -0.1746665 3.8115701 14 Lu 3.7604609 0.0000000 0.0000000 0.0000000 3.7933465 0.2508886 0.0000000 0.1746665 3.8115701 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (yxy) 0.00000007 (yxy) 0.00000007 (yyx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 9 ] 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: 0.75, Number of G-points: 301, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/155) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 155 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 2.353 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 3.275 ( 0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.441 ( 0.000 0.000 0.000) 0.000 3.625 ( 0.000 0.000 0.000) 0.000 3.817 ( 0.000 0.000 0.000) 0.000 3.839 ( 0.000 0.000 0.000) 0.000 4.490 ( 0.000 0.000 0.000) 0.000 4.517 ( 0.000 0.000 0.000) 0.000 5.365 ( 0.000 0.000 0.000) 0.000 5.804 ( 0.000 0.000 0.000) 0.000 5.831 ( 0.000 0.000 0.000) 0.000 7.035 ( 0.000 0.000 0.000) 0.000 7.322 ( 0.000 0.000 0.000) 0.000 8.502 ( 0.000 0.000 0.000) 0.000 9.640 ( 0.000 0.000 0.000) 0.000 10.077 ( 0.000 0.000 0.000) 0.000 10.101 ( 0.000 0.000 0.000) 0.000 11.022 ( 0.000 0.000 0.000) 0.000 11.283 ( 0.000 0.000 0.000) 0.000 11.311 ( 0.000 0.000 0.000) 0.000 11.616 ( 0.000 0.000 0.000) 0.000 11.648 ( 0.000 0.000 0.000) 0.000 11.832 ( 0.000 0.000 0.000) 0.000 11.906 ( 0.000 0.000 0.000) 0.000 12.726 ( 0.000 0.000 0.000) 0.000 13.684 ( 0.000 0.000 0.000) 0.000 13.699 ( 0.000 0.000 0.000) 0.000 14.934 ( 0.000 0.000 0.000) 0.000 15.009 ( 0.000 0.000 0.000) 0.000 16.411 ( 0.000 0.000 0.000) 0.000 16.439 ( 0.000 0.000 0.000) 0.000 17.062 ( 0.000 0.000 0.000) 0.000 17.651 ( 0.000 0.000 0.000) 0.000 17.885 ( 0.000 0.000 0.000) 0.000 17.891 ( 0.000 0.000 0.000) 0.000 18.465 ( 0.000 0.000 0.000) 0.000 18.725 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/155) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 43.406 -3.275 0.000) 43.529 0.497 ( 2.557 -24.555 0.000) 24.687 1.113 ( 1.799 -58.087 0.000) 58.115 2.451 ( -1.755 -10.949 0.000) 11.089 3.073 ( -10.832 -15.504 0.000) 18.914 3.175 ( 0.363 6.754 0.000) 6.764 3.374 ( 0.903 -1.308 0.000) 1.590 3.502 ( -2.550 -6.913 0.000) 7.368 3.615 ( 1.224 0.758 0.000) 1.440 3.873 ( 4.168 -3.883 0.000) 5.696 3.917 ( 2.172 -7.200 0.000) 7.521 4.433 ( -1.370 5.151 0.000) 5.330 4.482 ( 1.297 4.549 0.000) 4.731 5.330 ( 2.243 5.382 0.000) 5.831 5.748 ( -2.157 4.704 0.000) 5.175 5.801 ( -2.448 1.942 0.000) 3.125 6.992 ( 1.638 5.594 0.000) 5.829 7.304 ( -3.467 6.518 0.000) 7.383 8.544 ( 5.618 -1.933 0.000) 5.941 9.796 ( 31.265 14.702 0.000) 34.549 9.955 ( -23.482 -7.684 0.000) 24.707 10.343 ( 17.760 -6.316 0.000) 18.849 10.784 ( -27.341 4.262 0.000) 27.671 11.425 ( -5.359 4.788 0.000) 7.187 11.436 ( 25.371 2.516 0.000) 25.496 11.506 ( 1.726 -12.116 0.000) 12.238 11.978 ( -4.301 -12.822 0.000) 13.524 11.997 ( 3.455 -7.863 0.000) 8.588 12.465 ( 2.907 21.556 0.000) 21.751 13.575 ( -0.385 12.728 0.000) 12.734 13.700 ( 0.138 -15.277 0.000) 15.277 13.956 ( -1.819 -30.668 0.000) 30.722 14.951 ( -0.125 -1.493 0.000) 1.499 14.966 ( 21.206 25.769 0.000) 33.372 16.328 ( -0.017 8.996 0.000) 8.996 16.553 ( 0.149 -11.180 0.000) 11.181 17.083 ( -0.021 -2.314 0.000) 2.314 17.639 ( -0.265 1.204 0.000) 1.233 17.898 ( -0.048 -0.842 0.000) 0.844 18.409 ( 1.349 6.664 0.000) 6.799 18.677 ( -0.997 4.719 0.000) 4.823 19.023 ( -16.866 -3.637 0.000) 17.254 ======================= Grid point 2 (3/155) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 42.029 -3.877 0.000) 42.207 0.936 ( 1.533 -21.338 0.000) 21.393 2.120 ( -1.414 -49.184 0.000) 49.205 2.675 ( -4.738 -14.333 0.000) 15.095 3.072 ( 0.231 4.713 0.000) 4.718 3.233 ( -10.539 -7.720 0.000) 13.065 3.478 ( 3.710 -13.543 0.000) 14.042 3.569 ( -2.191 -2.619 0.000) 3.414 3.699 ( -1.748 -10.003 0.000) 10.155 4.004 ( 5.364 -4.890 0.000) 7.258 4.131 ( 4.525 -12.646 0.000) 13.431 4.294 ( -2.058 7.504 0.000) 7.781 4.379 ( 0.874 7.334 0.000) 7.385 5.216 ( 4.201 9.876 0.000) 10.733 5.617 ( -0.746 7.322 0.000) 7.360 5.728 ( -4.997 2.160 0.000) 5.444 6.848 ( 1.933 12.120 0.000) 12.273 7.076 ( -3.591 14.913 0.000) 15.339 8.668 ( 11.311 -3.457 0.000) 11.827 9.811 ( 17.253 6.446 0.000) 18.418 9.947 ( -22.756 -12.714 0.000) 26.067 10.358 ( -28.709 2.943 0.000) 28.860 10.697 ( 10.945 -4.621 0.000) 11.881 11.203 ( -4.258 10.115 0.000) 10.975 11.609 ( 24.097 0.391 0.000) 24.100 11.882 ( -5.795 -12.801 0.000) 14.052 12.098 ( -1.955 -7.040 0.000) 7.306 12.215 ( 7.492 -9.282 0.000) 11.928 12.276 ( 3.291 -8.211 0.000) 8.846 13.259 ( -0.809 19.927 0.000) 19.944 14.000 ( 2.735 -15.539 0.000) 15.777 14.592 ( 6.265 18.109 0.000) 19.162 14.648 ( 0.693 -33.995 0.000) 34.002 14.969 ( -0.353 -0.290 0.000) 0.457 16.079 ( -0.118 18.008 0.000) 18.008 16.807 ( -0.461 -15.868 0.000) 15.874 17.146 ( -0.055 -4.503 0.000) 4.503 17.598 ( -1.159 2.825 0.000) 3.054 17.922 ( -0.376 -1.895 0.000) 1.932 18.253 ( 4.151 12.409 0.000) 13.085 18.539 ( -1.650 8.944 0.000) 9.095 18.907 ( -9.297 3.679 0.000) 9.999 ======================= Grid point 3 (4/155) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 39.458 -3.762 0.000) 39.637 1.313 ( -0.301 -19.343 0.000) 19.345 2.732 ( -8.531 -15.869 0.000) 18.016 2.808 ( -10.504 -5.993 0.000) 12.094 3.004 ( -3.565 -1.250 0.000) 3.778 3.333 ( 1.594 -12.149 0.000) 12.253 3.599 ( 6.095 3.016 0.000) 6.800 3.879 ( -11.888 -14.755 0.000) 18.948 3.919 ( 3.603 -29.911 0.000) 30.127 4.118 ( 4.198 -2.524 0.000) 4.899 4.158 ( -3.488 1.473 0.000) 3.786 4.243 ( 0.122 6.615 0.000) 6.616 4.475 ( 6.465 -18.428 0.000) 19.529 5.047 ( 5.908 13.105 0.000) 14.375 5.494 ( 4.652 7.366 0.000) 8.712 5.648 ( -7.639 0.249 0.000) 7.643 6.572 ( 0.941 19.294 0.000) 19.317 6.698 ( -4.540 22.121 0.000) 22.582 8.862 ( 16.707 -4.203 0.000) 17.227 9.864 ( 16.022 3.559 0.000) 16.413 9.973 ( -19.958 -3.135 0.000) 20.202 10.051 ( -34.200 -7.449 0.000) 35.002 10.822 ( 7.541 1.040 0.000) 7.613 11.002 ( -4.274 7.417 0.000) 8.560 11.771 ( -2.099 5.827 0.000) 6.194 11.874 ( 25.041 -5.212 0.000) 25.577 12.309 ( -10.202 -12.356 0.000) 16.023 12.411 ( 7.676 -1.762 0.000) 7.876 12.798 ( 3.311 -38.731 0.000) 38.872 12.896 ( -0.979 14.731 0.000) 14.763 14.133 ( 1.391 23.483 0.000) 23.524 14.315 ( 3.391 -11.153 0.000) 11.657 14.947 ( -0.775 2.261 0.000) 2.390 15.446 ( 0.226 -44.006 0.000) 44.007 15.665 ( -0.301 26.787 0.000) 26.789 17.108 ( -1.019 -17.166 0.000) 17.196 17.247 ( -0.048 -6.688 0.000) 6.688 17.503 ( -3.020 6.049 0.000) 6.761 17.914 ( 0.044 6.713 0.000) 6.713 18.090 ( 7.641 6.366 0.000) 9.946 18.327 ( -1.775 12.312 0.000) 12.439 18.733 ( -6.954 7.293 0.000) 10.077 ======================= Grid point 4 (5/155) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -4.796 -17.672 0.000) 18.312 1.673 ( 33.984 -0.248 0.000) 33.985 2.674 ( -5.448 5.868 0.000) 8.007 2.730 ( -13.249 1.666 0.000) 13.353 3.098 ( -6.660 -11.168 0.000) 13.003 3.492 ( 4.453 12.707 0.000) 13.465 3.608 ( 5.810 -10.794 0.000) 12.258 3.941 ( -7.290 -0.049 0.000) 7.290 4.139 ( -0.252 0.473 0.000) 0.536 4.166 ( 1.970 0.105 0.000) 1.972 4.300 ( -9.094 -17.861 0.000) 20.043 4.575 ( 3.151 -34.383 0.000) 34.527 4.839 ( 7.119 15.375 0.000) 16.943 4.911 ( 6.847 -20.882 0.000) 21.976 5.438 ( 9.377 5.031 0.000) 10.641 5.598 ( -8.777 -3.070 0.000) 9.298 6.166 ( 0.185 24.416 0.000) 24.417 6.206 ( -6.021 25.384 0.000) 26.088 9.107 ( 21.300 -4.211 0.000) 21.713 9.684 ( -26.914 4.207 0.000) 27.241 9.951 ( 18.924 3.835 0.000) 19.309 10.056 ( -25.410 -12.755 0.000) 28.431 10.819 ( 5.355 4.070 0.000) 6.726 10.864 ( -4.464 3.351 0.000) 5.582 11.746 ( -1.190 -4.999 0.000) 5.139 12.156 ( 17.883 1.509 0.000) 17.946 12.278 ( 8.217 14.705 0.000) 16.845 12.394 ( -14.289 -8.630 0.000) 16.693 12.902 ( 2.218 -12.140 0.000) 12.341 13.557 ( 0.959 -27.137 0.000) 27.154 13.709 ( -0.589 7.950 0.000) 7.972 14.557 ( 2.727 -10.539 0.000) 10.886 14.870 ( -1.460 5.161 0.000) 5.363 15.096 ( -0.487 34.489 0.000) 34.492 16.219 ( 0.118 -38.947 0.000) 38.947 17.287 ( -3.622 15.528 0.000) 15.945 17.356 ( -1.755 -9.541 0.000) 9.701 17.446 ( 0.247 -16.211 0.000) 16.213 17.705 ( 4.862 14.368 0.000) 15.169 18.055 ( -0.679 14.578 0.000) 14.594 18.164 ( 4.508 -4.510 0.000) 6.377 18.529 ( -5.811 8.622 0.000) 10.397 ======================= Grid point 5 (6/155) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -18.540 -10.908 0.000) 21.511 1.822 ( 18.540 10.908 0.000) 21.511 2.602 ( -5.242 0.336 0.000) 5.253 2.602 ( 5.242 -0.336 0.000) 5.253 3.278 ( -4.421 -13.515 0.000) 14.219 3.278 ( 4.421 13.515 0.000) 14.219 3.813 ( 6.708 -6.019 0.000) 9.013 3.813 ( -6.708 6.019 0.000) 9.013 4.158 ( 0.228 -1.261 0.000) 1.281 4.158 ( -0.228 1.261 0.000) 1.281 4.577 ( -10.211 -19.802 0.000) 22.280 4.577 ( 10.211 19.802 0.000) 22.280 5.099 ( -5.470 -15.410 0.000) 16.352 5.099 ( 5.470 15.410 0.000) 16.352 5.565 ( 4.355 -9.089 0.000) 10.079 5.565 ( -4.355 9.089 0.000) 10.079 5.822 ( -6.632 -4.664 0.000) 8.108 5.822 ( 6.632 4.664 0.000) 8.108 9.384 ( -24.804 4.002 0.000) 25.125 9.384 ( 24.804 -4.002 0.000) 25.125 10.033 ( -22.846 -7.633 0.000) 24.087 10.033 ( 22.846 7.633 0.000) 24.088 10.806 ( -4.931 -1.479 0.000) 5.148 10.806 ( 4.931 1.479 0.000) 5.148 11.926 ( -1.185 -14.975 0.000) 15.022 11.926 ( 1.185 14.975 0.000) 15.022 12.368 ( -18.996 -4.005 0.000) 19.414 12.368 ( 18.996 4.005 0.000) 19.414 13.236 ( 2.650 -20.324 0.000) 20.496 13.236 ( -2.650 20.324 0.000) 20.496 14.388 ( 1.057 -40.496 0.000) 40.510 14.388 ( -1.057 40.496 0.000) 40.510 14.744 ( 2.007 -7.750 0.000) 8.006 14.744 ( -2.007 7.750 0.000) 8.006 16.853 ( 1.108 -29.069 0.000) 29.090 16.853 ( -1.108 29.069 0.000) 29.090 17.513 ( -3.080 -10.533 0.000) 10.974 17.513 ( 3.080 10.533 0.000) 10.974 17.757 ( 0.495 -16.664 0.000) 16.671 17.757 ( -0.495 16.664 0.000) 16.671 18.327 ( 5.104 -7.839 0.000) 9.355 18.327 ( -5.104 7.839 0.000) 9.355 ======================= Grid point 12 (7/155) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.151 ( 9.925 -0.000 0.000) 9.925 0.218 ( 11.392 -0.000 0.000) 11.392 0.855 ( 48.060 -0.000 0.000) 48.060 2.325 ( -3.121 0.000 0.000) 3.121 2.685 ( -7.489 0.000 0.000) 7.489 3.300 ( -1.129 0.000 0.000) 1.129 3.356 ( 1.231 -0.000 0.000) 1.231 3.428 ( -1.194 0.000 0.000) 1.194 3.626 ( 0.049 -0.000 0.000) 0.049 3.850 ( 3.587 -0.000 0.000) 3.587 3.871 ( 3.410 -0.000 0.000) 3.410 4.470 ( -1.279 0.000 0.000) 1.279 4.539 ( 1.635 -0.000 0.000) 1.635 5.405 ( 4.479 -0.000 0.000) 4.479 5.757 ( -5.167 0.000 0.000) 5.167 5.790 ( -4.759 0.000 0.000) 4.759 7.066 ( 3.407 -0.000 0.000) 3.407 7.299 ( -2.574 0.000 0.000) 2.574 8.596 ( 10.594 -0.000 0.000) 10.594 9.662 ( -25.152 0.000 0.000) 25.152 10.461 ( 19.055 -0.000 0.000) 19.055 10.530 ( -34.712 0.000 0.000) 34.712 11.026 ( 0.197 -0.000 0.000) 0.197 11.299 ( -1.348 0.000 0.000) 1.348 11.542 ( -7.863 0.000 0.000) 7.863 11.665 ( 1.422 -0.000 0.000) 1.422 11.725 ( 29.073 -0.000 0.000) 29.073 11.941 ( 3.945 -0.000 0.000) 3.945 12.701 ( -2.713 0.000 0.000) 2.713 13.345 ( 0.592 -0.000 0.000) 0.592 13.685 ( 0.058 -0.000 0.000) 0.058 13.692 ( -0.725 0.000 0.000) 0.725 14.932 ( -0.169 0.000 0.000) 0.169 16.411 ( 0.002 -0.000 0.000) 0.002 16.437 ( -0.195 0.000 0.000) 0.195 16.673 ( 0.605 -0.000 0.000) 0.605 17.062 ( -0.032 0.000 0.000) 0.032 17.648 ( -0.260 0.000 0.000) 0.260 17.885 ( -0.037 0.000 0.000) 0.037 17.891 ( -0.023 0.000 0.000) 0.023 18.483 ( 2.001 -0.000 0.000) 2.001 18.707 ( -2.006 0.000 0.000) 2.006 ======================= Grid point 13 (8/155) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 4.117 -20.598 0.000) 21.005 0.986 ( 9.681 -36.193 0.000) 37.466 1.368 ( 35.964 -19.760 0.000) 41.034 2.397 ( -4.072 -10.660 0.000) 11.412 2.839 ( -14.211 -18.653 0.000) 23.450 3.178 ( -0.122 7.157 0.000) 7.158 3.401 ( 2.219 -2.022 0.000) 3.002 3.434 ( -4.632 -2.257 0.000) 5.152 3.647 ( 2.254 -2.183 0.000) 3.137 3.959 ( 5.117 -5.582 0.000) 7.573 3.978 ( 4.273 -7.687 0.000) 8.795 4.408 ( -1.189 5.574 0.000) 5.700 4.505 ( 1.056 4.988 0.000) 5.098 5.402 ( 5.735 5.485 0.000) 7.936 5.681 ( -5.196 2.525 0.000) 5.777 5.719 ( -6.840 1.947 0.000) 7.112 7.043 ( 3.917 6.314 0.000) 7.430 7.228 ( -4.801 5.796 0.000) 7.526 8.731 ( 15.413 -2.300 0.000) 15.584 9.526 ( -25.013 -8.574 0.000) 26.441 10.177 ( -32.044 4.346 0.000) 32.338 10.358 ( 25.478 35.408 0.000) 43.622 10.688 ( 13.565 -6.356 0.000) 14.980 11.310 ( -7.946 5.283 0.000) 9.542 11.491 ( -3.617 -13.110 0.000) 13.600 11.850 ( 18.674 5.015 0.000) 19.335 11.888 ( -4.650 -12.755 0.000) 13.576 12.135 ( 13.479 -8.922 0.000) 16.165 12.493 ( -0.739 17.446 0.000) 17.461 13.562 ( -1.044 12.765 0.000) 12.807 13.711 ( 1.179 -22.086 0.000) 22.117 13.926 ( -1.391 -29.297 0.000) 29.330 14.947 ( -0.233 -1.415 0.000) 1.434 15.439 ( 26.257 57.242 0.000) 62.977 16.327 ( -0.049 9.058 0.000) 9.058 16.558 ( 0.495 -10.144 0.000) 10.156 17.083 ( -0.054 -2.302 0.000) 2.303 17.632 ( -0.530 1.583 0.000) 1.670 17.897 ( -0.117 -0.720 0.000) 0.730 18.452 ( 3.347 5.716 0.000) 6.624 18.644 ( -2.670 4.548 0.000) 5.274 18.648 ( -20.832 -24.353 0.000) 32.048 ======================= Grid point 14 (9/155) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -0.466 -19.524 0.000) 19.530 1.529 ( 28.615 -9.981 0.000) 30.306 2.146 ( 7.913 -35.808 0.000) 36.672 2.587 ( -4.456 -11.352 0.000) 12.195 3.003 ( -10.956 -4.155 0.000) 11.717 3.105 ( -0.925 -6.168 0.000) 6.237 3.451 ( -9.830 -8.430 0.000) 12.950 3.550 ( 4.719 -13.639 0.000) 14.432 3.728 ( 3.611 -2.286 0.000) 4.274 4.104 ( 5.708 -4.303 0.000) 7.148 4.210 ( 3.491 -9.748 0.000) 10.354 4.263 ( -0.724 4.702 0.000) 4.757 4.386 ( -0.071 7.746 0.000) 7.746 5.307 ( 5.256 9.685 0.000) 11.019 5.604 ( -0.696 2.469 0.000) 2.565 5.611 ( -7.618 2.740 0.000) 8.096 6.892 ( 2.979 13.603 0.000) 13.925 6.995 ( -5.518 14.607 0.000) 15.615 8.944 ( 19.715 -4.038 0.000) 20.125 9.517 ( -25.927 -13.610 0.000) 29.282 9.832 ( -28.918 3.656 0.000) 29.148 10.149 ( 19.655 12.390 0.000) 23.235 10.881 ( 9.011 -2.712 0.000) 9.410 11.092 ( -8.482 7.871 0.000) 11.571 11.753 ( -8.776 -11.936 0.000) 14.815 11.979 ( 17.390 -2.904 0.000) 17.630 12.056 ( -2.779 -5.403 0.000) 6.076 12.311 ( 0.258 -9.905 0.000) 9.908 12.403 ( 13.583 -6.582 0.000) 15.093 13.239 ( -1.428 20.085 0.000) 20.135 14.061 ( 3.988 -15.608 0.000) 16.110 14.633 ( -0.163 -43.362 0.000) 43.362 14.769 ( 11.038 37.321 0.000) 38.919 14.962 ( -0.363 -0.055 0.000) 0.367 16.076 ( -0.203 18.132 0.000) 18.133 16.796 ( -0.784 -15.221 0.000) 15.241 17.145 ( -0.086 -4.482 0.000) 4.483 17.574 ( -1.368 3.939 0.000) 4.170 17.915 ( -0.458 -1.346 0.000) 1.422 18.345 ( 5.985 9.779 0.000) 11.465 18.499 ( -2.745 8.509 0.000) 8.941 18.714 ( -11.716 -2.476 0.000) 11.975 ======================= Grid point 15 (10/155) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -5.928 -17.428 0.000) 18.409 1.922 ( 29.581 -5.133 0.000) 30.023 2.608 ( -4.824 -10.640 0.000) 11.682 2.651 ( -6.398 -0.610 0.000) 6.427 2.910 ( -6.055 -0.762 0.000) 6.103 3.368 ( 1.954 -17.964 0.000) 18.070 3.624 ( -10.477 -19.026 0.000) 21.719 3.726 ( 1.780 6.471 0.000) 6.712 4.006 ( 6.423 -29.278 0.000) 29.974 4.097 ( -3.432 3.971 0.000) 5.248 4.197 ( 4.625 -0.648 0.000) 4.670 4.241 ( -0.352 6.144 0.000) 6.154 4.578 ( 5.298 -19.649 0.000) 20.351 5.157 ( 5.314 11.307 0.000) 12.494 5.493 ( -8.883 1.794 0.000) 9.063 5.584 ( 5.307 2.132 0.000) 5.719 6.592 ( 1.283 20.940 0.000) 20.979 6.601 ( -6.312 22.298 0.000) 23.175 9.213 ( 22.756 -4.860 0.000) 23.269 9.459 ( -31.769 -3.167 0.000) 31.927 9.636 ( -18.775 -8.631 0.000) 20.664 10.179 ( 19.173 3.725 0.000) 19.532 10.897 ( -7.844 5.413 0.000) 9.530 10.934 ( 5.258 3.005 0.000) 6.056 11.724 ( -3.277 2.679 0.000) 4.232 12.095 ( -13.990 -8.596 0.000) 16.420 12.245 ( 17.119 -7.882 0.000) 18.846 12.572 ( 10.390 3.512 0.000) 10.968 12.845 ( 1.969 -38.141 0.000) 38.191 12.875 ( -1.415 12.590 0.000) 12.669 14.180 ( 3.942 29.588 0.000) 29.849 14.377 ( 3.511 -10.916 0.000) 11.466 14.934 ( -0.596 2.745 0.000) 2.809 15.451 ( 0.236 -43.951 0.000) 43.952 15.659 ( -0.386 26.934 0.000) 26.937 17.085 ( -1.600 -16.759 0.000) 16.835 17.247 ( -0.035 -6.909 0.000) 6.909 17.455 ( -2.364 7.555 0.000) 7.917 17.910 ( -0.398 3.125 0.000) 3.150 18.234 ( 8.328 7.261 0.000) 11.049 18.290 ( -2.240 11.723 0.000) 11.935 18.601 ( -7.611 4.713 0.000) 8.952 ======================= Grid point 16 (11/155) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -16.406 -12.104 0.000) 20.388 2.161 ( 19.759 7.021 0.000) 20.969 2.568 ( -4.626 1.597 0.000) 4.894 2.608 ( -0.719 -2.378 0.000) 2.484 3.006 ( -3.273 -11.217 0.000) 11.685 3.553 ( 2.311 12.294 0.000) 12.509 3.691 ( 3.627 -13.326 0.000) 13.810 3.805 ( -7.622 -3.332 0.000) 8.319 4.099 ( -4.641 -9.978 0.000) 11.004 4.197 ( -2.242 -3.700 0.000) 4.326 4.201 ( 2.019 2.563 0.000) 3.263 4.637 ( 4.367 -29.349 0.000) 29.672 4.985 ( 8.800 14.052 0.000) 16.580 5.022 ( 5.628 -21.927 0.000) 22.638 5.428 ( -10.267 -5.807 0.000) 11.796 5.592 ( 7.869 4.451 0.000) 9.041 6.085 ( -7.660 26.514 0.000) 27.598 6.170 ( 0.276 23.738 0.000) 23.740 9.213 ( -25.543 1.037 0.000) 25.564 9.509 ( 23.955 -5.065 0.000) 24.484 9.673 ( -18.427 -10.883 0.000) 21.401 10.318 ( 22.470 1.568 0.000) 22.525 10.761 ( -7.330 2.179 0.000) 7.647 10.898 ( 3.624 4.173 0.000) 5.526 11.724 ( -1.338 -5.633 0.000) 5.789 12.095 ( -19.676 -6.779 0.000) 20.811 12.270 ( 2.351 19.566 0.000) 19.707 12.556 ( 16.236 -0.802 0.000) 16.256 12.941 ( 2.129 -13.187 0.000) 13.358 13.582 ( 1.850 -18.499 0.000) 18.592 13.694 ( -1.043 2.718 0.000) 2.911 14.609 ( 3.141 -9.646 0.000) 10.145 14.848 ( -0.994 6.091 0.000) 6.172 15.086 ( -0.546 34.537 0.000) 34.541 16.220 ( 0.001 -39.071 0.000) 39.071 17.236 ( -2.272 14.930 0.000) 15.102 17.321 ( -2.211 -9.498 0.000) 9.752 17.449 ( 0.091 -15.927 0.000) 15.928 17.765 ( 2.127 12.178 0.000) 12.362 18.035 ( -1.390 14.236 0.000) 14.304 18.265 ( 6.313 -2.931 0.000) 6.960 18.429 ( -5.176 7.471 0.000) 9.089 ======================= Grid point 17 (12/155) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -29.823 -1.553 0.000) 29.864 1.994 ( 3.029 17.346 0.000) 17.608 2.591 ( 2.228 -5.555 0.000) 5.985 2.785 ( 13.666 -6.429 0.000) 15.102 3.209 ( -3.485 -13.312 0.000) 13.760 3.362 ( 5.146 11.464 0.000) 12.566 3.690 ( -7.219 5.681 0.000) 9.186 3.918 ( 5.096 -7.424 0.000) 9.004 4.151 ( -0.491 2.958 0.000) 2.999 4.160 ( 0.141 0.020 0.000) 0.142 4.417 ( -7.650 -19.554 0.000) 20.998 4.746 ( 7.796 16.805 0.000) 18.525 5.021 ( -1.939 -6.042 0.000) 6.345 5.185 ( 4.095 22.346 0.000) 22.718 5.471 ( -6.705 17.102 0.000) 18.369 5.629 ( 3.044 -9.436 0.000) 9.914 5.713 ( -5.219 -18.613 0.000) 19.331 5.926 ( 4.996 -1.855 0.000) 5.329 8.989 ( -19.308 2.069 0.000) 19.419 9.695 ( -15.498 -7.566 0.000) 17.246 9.811 ( 23.252 -5.368 0.000) 23.863 10.471 ( 26.360 6.752 0.000) 27.211 10.700 ( -6.715 -3.092 0.000) 7.393 10.872 ( 2.784 1.062 0.000) 2.980 11.900 ( -2.979 -12.982 0.000) 13.320 11.943 ( 0.802 15.206 0.000) 15.227 11.991 ( -22.700 -3.573 0.000) 22.980 12.638 ( 11.749 5.315 0.000) 12.895 13.195 ( -1.929 21.211 0.000) 21.298 13.282 ( 2.511 -20.189 0.000) 20.344 14.369 ( -1.120 40.892 0.000) 40.907 14.403 ( 0.639 -40.428 0.000) 40.433 14.716 ( -1.201 8.777 0.000) 8.858 14.782 ( 2.100 -6.739 0.000) 7.059 16.837 ( -0.794 27.573 0.000) 27.584 16.873 ( 1.061 -31.322 0.000) 31.340 17.454 ( -3.496 -8.403 0.000) 9.101 17.556 ( 1.759 11.512 0.000) 11.645 17.747 ( -0.593 16.018 0.000) 16.029 17.763 ( 0.206 -17.212 0.000) 17.213 18.251 ( -3.345 7.513 0.000) 8.224 18.417 ( 4.756 -7.745 0.000) 9.089 ======================= Grid point 18 (13/155) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -34.979 4.831 0.000) 35.311 1.666 ( -0.149 18.932 0.000) 18.933 2.765 ( 4.282 -8.588 0.000) 9.596 2.980 ( 14.079 0.122 0.000) 14.080 3.224 ( 7.574 10.306 0.000) 12.790 3.397 ( -6.551 -10.922 0.000) 12.736 3.493 ( -7.194 9.069 0.000) 11.576 4.045 ( 4.464 -1.388 0.000) 4.675 4.133 ( -0.630 -3.446 0.000) 3.503 4.137 ( -1.173 2.076 0.000) 2.385 4.475 ( 10.134 20.791 0.000) 23.129 4.521 ( -2.770 29.399 0.000) 29.529 4.753 ( -2.829 -7.776 0.000) 8.274 4.791 ( -6.715 22.519 0.000) 23.499 5.283 ( -7.640 -7.798 0.000) 10.917 5.721 ( 5.047 1.130 0.000) 5.172 6.164 ( -0.072 -24.842 0.000) 24.843 6.288 ( 3.256 -24.870 0.000) 25.082 8.802 ( -12.816 3.044 0.000) 13.173 9.684 ( -11.070 -4.046 0.000) 11.786 10.105 ( 20.808 -5.153 0.000) 21.437 10.495 ( 16.177 9.018 0.000) 18.521 10.759 ( 6.281 -1.106 0.000) 6.378 10.919 ( 2.031 -3.973 0.000) 4.462 11.721 ( -28.666 3.633 0.000) 28.895 11.763 ( 0.671 4.562 0.000) 4.611 12.213 ( -2.125 -16.621 0.000) 16.756 12.585 ( 7.430 9.190 0.000) 11.818 12.869 ( -1.398 10.801 0.000) 10.891 13.549 ( -0.065 38.736 0.000) 38.736 13.714 ( 0.038 -16.898 0.000) 16.898 14.519 ( -1.509 11.516 0.000) 11.615 14.894 ( 1.164 -4.313 0.000) 4.467 15.103 ( 0.270 -34.529 0.000) 34.530 16.216 ( -0.105 38.839 0.000) 38.839 17.364 ( 5.215 -16.943 0.000) 17.727 17.380 ( 0.943 9.183 0.000) 9.231 17.441 ( -0.271 16.620 0.000) 16.622 17.598 ( -7.038 -14.601 0.000) 16.209 18.051 ( -0.840 -8.687 0.000) 8.727 18.122 ( -0.638 -1.019 0.000) 1.202 18.617 ( 3.876 -9.571 0.000) 10.326 ======================= Grid point 19 (14/155) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -31.250 7.338 0.000) 32.100 1.306 ( -0.541 19.926 0.000) 19.933 2.884 ( 8.262 17.642 0.000) 19.481 2.968 ( 6.145 11.337 0.000) 12.895 3.001 ( -4.029 7.036 0.000) 8.108 3.325 ( 0.298 1.859 0.000) 1.882 3.499 ( -4.157 -6.284 0.000) 7.535 3.878 ( -1.187 30.324 0.000) 30.347 4.048 ( 6.252 13.430 0.000) 14.814 4.061 ( -1.881 4.668 0.000) 5.033 4.218 ( 3.308 3.698 0.000) 4.961 4.237 ( -0.405 -5.656 0.000) 5.670 4.362 ( -5.764 15.927 0.000) 16.938 4.973 ( -2.263 -13.262 0.000) 13.453 5.435 ( -1.901 -11.358 0.000) 11.516 5.741 ( 2.821 0.016 0.000) 2.821 6.561 ( -0.342 -18.238 0.000) 18.241 6.753 ( 1.664 -22.241 0.000) 22.303 8.657 ( -6.257 3.538 0.000) 7.188 9.658 ( -6.520 -1.650 0.000) 6.726 10.283 ( 14.094 5.227 0.000) 15.033 10.542 ( 8.527 -5.385 0.000) 10.085 10.749 ( 10.615 12.316 0.000) 16.260 11.050 ( 1.319 -8.441 0.000) 8.543 11.411 ( -25.120 1.587 0.000) 25.170 11.796 ( 0.705 -7.319 0.000) 7.353 12.316 ( -2.909 4.381 0.000) 5.259 12.439 ( 4.300 12.030 0.000) 12.775 12.744 ( -2.175 41.687 0.000) 41.744 12.908 ( 0.332 -15.650 0.000) 15.653 14.125 ( 0.155 -22.300 0.000) 22.301 14.268 ( -1.689 13.858 0.000) 13.961 14.958 ( 0.372 -1.900 0.000) 1.936 15.444 ( -0.086 44.009 0.000) 44.009 15.669 ( 0.112 -26.702 0.000) 26.702 17.120 ( 0.330 17.304 0.000) 17.307 17.248 ( 0.024 6.564 0.000) 6.564 17.550 ( 1.833 -3.776 0.000) 4.197 17.903 ( -0.991 -17.746 0.000) 17.774 17.994 ( -2.658 1.641 0.000) 3.124 18.348 ( 0.661 -12.695 0.000) 12.712 18.823 ( 2.860 -9.356 0.000) 9.783 ======================= Grid point 20 (15/155) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( 0.000 9.142 0.000) 9.142 0.919 ( 0.000 22.061 0.000) 22.061 2.138 ( 0.000 51.987 0.000) 51.987 2.721 ( 0.000 16.110 0.000) 16.110 3.068 ( -0.000 -5.265 0.000) 5.265 3.358 ( -0.000 -2.275 0.000) 2.275 3.425 ( 0.000 19.759 0.000) 19.759 3.569 ( -0.000 -3.086 0.000) 3.086 3.737 ( 0.000 16.530 0.000) 16.530 3.948 ( 0.000 6.006 0.000) 6.006 4.084 ( 0.000 11.774 0.000) 11.774 4.318 ( -0.000 -7.427 0.000) 7.427 4.366 ( -0.000 -7.003 0.000) 7.003 5.177 ( -0.000 -9.867 0.000) 9.867 5.625 ( -0.000 -9.284 0.000) 9.284 5.773 ( -0.000 -1.949 0.000) 1.949 6.830 ( -0.000 -11.473 0.000) 11.473 7.110 ( -0.000 -15.401 0.000) 15.401 8.567 ( 0.000 3.167 0.000) 3.167 9.641 ( -0.000 -0.166 0.000) 0.166 10.226 ( 0.000 6.936 0.000) 6.936 10.464 ( 0.000 16.351 0.000) 16.351 10.778 ( -0.000 -9.188 0.000) 9.188 11.240 ( -0.000 -11.205 0.000) 11.205 11.289 ( -0.000 -0.195 0.000) 0.195 11.937 ( 0.000 15.502 0.000) 15.502 12.119 ( 0.000 0.737 0.000) 0.737 12.149 ( 0.000 9.817 0.000) 9.817 12.235 ( 0.000 12.755 0.000) 12.755 13.266 ( -0.000 -19.889 0.000) 19.889 13.975 ( 0.000 15.916 0.000) 15.916 14.532 ( -0.000 -20.956 0.000) 20.956 14.646 ( 0.000 41.569 0.000) 41.569 14.972 ( 0.000 0.397 0.000) 0.397 16.080 ( -0.000 -17.960 0.000) 17.960 16.812 ( 0.000 16.070 0.000) 16.070 17.146 ( 0.000 4.512 0.000) 4.512 17.609 ( -0.000 -2.256 0.000) 2.256 17.926 ( 0.000 2.256 0.000) 2.256 18.215 ( -0.000 -13.723 0.000) 13.723 18.553 ( -0.000 -9.107 0.000) 9.107 18.995 ( -0.000 -7.456 0.000) 7.456 ======================= Grid point 23 (16/155) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 13.254 -0.000 0.000) 13.254 0.377 ( 6.414 -0.000 0.000) 6.414 1.652 ( 42.636 -0.000 0.000) 42.636 2.252 ( -4.829 0.000 0.000) 4.829 2.509 ( -12.183 0.000 0.000) 12.183 3.274 ( -1.802 0.000 0.000) 1.802 3.394 ( 3.451 -0.000 0.000) 3.451 3.413 ( -0.243 0.000 0.000) 0.243 3.625 ( -0.209 0.000 0.000) 0.209 3.927 ( 4.736 -0.000 0.000) 4.736 3.942 ( 4.257 -0.000 0.000) 4.257 4.457 ( -0.179 0.000 0.000) 0.179 4.563 ( 1.022 -0.000 0.000) 1.022 5.511 ( 7.361 -0.000 0.000) 7.361 5.639 ( -7.818 0.000 0.000) 7.818 5.666 ( -9.420 0.000 0.000) 9.420 7.141 ( 4.847 -0.000 0.000) 4.847 7.237 ( -4.359 0.000 0.000) 4.359 8.859 ( 19.138 -0.000 0.000) 19.138 9.232 ( -23.688 0.000 0.000) 23.688 9.929 ( -33.407 0.000 0.000) 33.407 10.747 ( 13.709 -0.000 0.000) 13.709 11.032 ( 0.516 -0.000 0.000) 0.516 11.266 ( -2.470 0.000 0.000) 2.470 11.347 ( -14.463 0.000 0.000) 14.463 11.695 ( 1.999 -0.000 0.000) 1.999 12.035 ( 6.445 -0.000 0.000) 6.445 12.190 ( 23.932 -0.000 0.000) 23.932 12.640 ( -4.046 0.000 0.000) 4.046 13.357 ( 0.695 -0.000 0.000) 0.695 13.675 ( -1.229 0.000 0.000) 1.229 13.685 ( -0.076 0.000 0.000) 0.076 14.929 ( -0.143 0.000 0.000) 0.143 16.411 ( -0.003 0.000 0.000) 0.003 16.432 ( -0.315 0.000 0.000) 0.315 16.688 ( 0.962 -0.000 0.000) 0.962 17.061 ( -0.053 0.000 0.000) 0.053 17.644 ( -0.212 0.000 0.000) 0.212 17.884 ( -0.061 0.000 0.000) 0.061 17.890 ( -0.038 0.000 0.000) 0.038 18.529 ( 3.028 -0.000 0.000) 3.028 18.659 ( -3.352 0.000 0.000) 3.352 ======================= Grid point 24 (17/155) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 0.145 -16.667 0.000) 16.668 1.067 ( 3.919 -43.045 0.000) 43.223 2.049 ( 37.068 -5.582 0.000) 37.486 2.326 ( -3.557 -11.585 0.000) 12.119 2.593 ( -13.882 -18.176 0.000) 22.871 3.169 ( -0.857 6.899 0.000) 6.952 3.353 ( -4.436 3.965 0.000) 5.949 3.459 ( 4.744 -2.942 0.000) 5.582 3.687 ( 2.149 -4.975 0.000) 5.419 4.045 ( 4.675 -6.578 0.000) 8.070 4.052 ( 3.947 -7.878 0.000) 8.812 4.397 ( -0.045 6.487 0.000) 6.487 4.514 ( -0.043 5.694 0.000) 5.694 5.481 ( -1.918 6.752 0.000) 7.019 5.582 ( -5.684 -1.121 0.000) 5.794 5.601 ( -1.692 0.778 0.000) 1.863 7.117 ( 4.344 7.222 0.000) 8.427 7.139 ( -5.346 6.563 0.000) 8.465 9.064 ( 22.343 -2.583 0.000) 22.492 9.106 ( -22.562 -7.535 0.000) 23.787 9.629 ( -29.337 1.828 0.000) 29.393 10.675 ( 12.488 26.195 0.000) 29.019 10.896 ( 9.796 -3.698 0.000) 10.471 11.132 ( -12.884 6.368 0.000) 14.372 11.397 ( -6.304 -13.904 0.000) 15.267 11.833 ( -1.732 -11.493 0.000) 11.623 12.078 ( 9.501 0.562 0.000) 9.518 12.435 ( 18.054 -4.674 0.000) 18.649 12.444 ( -4.294 14.838 0.000) 15.446 13.540 ( -1.375 12.841 0.000) 12.914 13.739 ( 1.819 -27.317 0.000) 27.377 13.905 ( -1.113 -26.623 0.000) 26.647 14.944 ( -0.111 -1.322 0.000) 1.326 15.796 ( 14.921 57.926 0.000) 59.816 16.326 ( -0.072 9.162 0.000) 9.163 16.570 ( 0.853 -8.090 0.000) 8.135 17.082 ( -0.065 -2.285 0.000) 2.286 17.623 ( -0.379 2.117 0.000) 2.151 17.894 ( -0.133 -0.545 0.000) 0.561 18.361 ( -12.164 -25.154 0.000) 27.940 18.516 ( 3.796 4.320 0.000) 5.750 18.590 ( -3.387 4.250 0.000) 5.434 ======================= Grid point 25 (18/155) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -5.877 -16.877 0.000) 17.871 1.774 ( 3.553 -29.661 0.000) 29.873 2.469 ( 24.191 -8.024 0.000) 25.487 2.549 ( 0.736 -10.492 0.000) 10.517 2.805 ( -10.449 -10.637 0.000) 14.910 3.102 ( -0.135 -5.602 0.000) 5.603 3.260 ( -11.703 -4.396 0.000) 12.502 3.652 ( 7.328 -14.779 0.000) 16.496 3.789 ( 3.020 -2.416 0.000) 3.868 4.196 ( 4.742 -4.414 0.000) 6.478 4.218 ( -0.930 8.192 0.000) 8.245 4.300 ( 3.213 -11.424 0.000) 11.867 4.378 ( -0.789 7.112 0.000) 7.156 5.302 ( -8.427 6.515 0.000) 10.652 5.552 ( 3.338 6.012 0.000) 6.877 5.596 ( -0.103 -2.982 0.000) 2.983 6.893 ( -5.930 14.967 0.000) 16.099 6.945 ( 2.888 15.108 0.000) 15.381 9.072 ( -23.972 -9.058 0.000) 25.627 9.333 ( 24.361 -4.198 0.000) 24.720 9.394 ( -20.893 -1.491 0.000) 20.946 10.459 ( 15.275 11.058 0.000) 18.857 10.908 ( -12.301 5.228 0.000) 13.366 11.007 ( 5.590 -0.349 0.000) 5.601 11.585 ( -10.283 -11.857 0.000) 15.695 12.007 ( -2.721 3.172 0.000) 4.179 12.217 ( 10.422 -6.542 0.000) 12.305 12.286 ( -2.663 -17.321 0.000) 17.525 12.650 ( 13.476 -3.409 0.000) 13.900 13.212 ( -1.635 20.457 0.000) 20.523 14.129 ( 3.541 -16.494 0.000) 16.870 14.628 ( -0.398 -45.094 0.000) 45.096 14.958 ( -0.129 0.152 0.000) 0.200 14.962 ( 10.254 45.920 0.000) 47.050 16.073 ( -0.212 18.284 0.000) 18.285 16.782 ( -0.829 -14.167 0.000) 14.191 17.143 ( -0.080 -4.464 0.000) 4.464 17.554 ( -0.966 4.929 0.000) 5.023 17.907 ( -0.378 -0.941 0.000) 1.014 18.440 ( 1.090 7.625 0.000) 7.702 18.456 ( 1.495 7.583 0.000) 7.729 18.529 ( -8.989 -5.874 0.000) 10.738 ======================= Grid point 26 (19/155) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -12.369 -12.849 0.000) 17.836 2.252 ( 7.323 -18.245 0.000) 19.660 2.597 ( 2.435 8.495 0.000) 8.837 2.606 ( 0.966 4.140 0.000) 4.252 2.847 ( 0.931 -6.471 0.000) 6.538 3.394 ( 0.904 -19.415 0.000) 19.436 3.402 ( -12.539 -20.625 0.000) 24.137 3.787 ( 3.227 5.859 0.000) 6.689 4.043 ( -2.704 6.235 0.000) 6.796 4.144 ( 8.979 -26.827 0.000) 28.290 4.233 ( -0.458 5.241 0.000) 5.261 4.277 ( 4.848 -1.577 0.000) 5.098 4.656 ( 3.545 -20.596 0.000) 20.899 5.128 ( -9.893 2.863 0.000) 10.299 5.435 ( 3.369 9.692 0.000) 10.261 5.668 ( 4.095 -2.122 0.000) 4.612 6.489 ( -6.215 23.003 0.000) 23.828 6.614 ( 1.186 22.517 0.000) 22.548 8.977 ( -22.633 -3.437 0.000) 22.893 9.349 ( -13.494 -8.712 0.000) 16.062 9.628 ( 24.161 -4.505 0.000) 24.577 10.491 ( 13.410 0.515 0.000) 13.420 10.745 ( -6.956 2.869 0.000) 7.524 11.006 ( 3.068 3.923 0.000) 4.980 11.646 ( -6.956 -4.322 0.000) 8.189 11.849 ( -12.357 1.056 0.000) 12.402 12.474 ( 9.736 -9.141 0.000) 13.355 12.735 ( 6.123 12.794 0.000) 14.184 12.860 ( 0.947 5.335 0.000) 5.418 12.866 ( 0.475 -39.029 0.000) 39.032 14.256 ( 4.256 36.873 0.000) 37.118 14.434 ( 2.923 -12.472 0.000) 12.809 14.927 ( -0.219 3.120 0.000) 3.128 15.454 ( 0.089 -43.853 0.000) 43.853 15.653 ( -0.318 27.093 0.000) 27.095 17.056 ( -1.600 -16.117 0.000) 16.197 17.246 ( -0.017 -7.118 0.000) 7.118 17.423 ( -1.402 8.374 0.000) 8.491 17.902 ( -0.374 2.144 0.000) 2.177 18.252 ( -1.931 10.954 0.000) 11.123 18.365 ( 6.214 6.474 0.000) 8.974 18.485 ( -5.426 2.811 0.000) 6.111 ======================= Grid point 27 (20/155) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -19.529 -3.344 0.000) 19.813 2.322 ( 1.618 16.051 0.000) 16.133 2.548 ( 0.946 0.369 0.000) 1.016 2.659 ( 3.712 -16.541 0.000) 16.953 3.007 ( 3.163 -7.664 0.000) 8.291 3.560 ( -1.602 1.982 0.000) 2.548 3.710 ( -2.564 2.778 0.000) 3.781 3.734 ( 1.423 -15.815 0.000) 15.879 4.020 ( -3.535 -11.324 0.000) 11.863 4.183 ( -0.203 0.745 0.000) 0.772 4.231 ( 1.287 4.377 0.000) 4.563 4.733 ( 6.530 -16.486 0.000) 17.732 5.087 ( -0.218 -6.513 0.000) 6.517 5.100 ( 3.172 -23.155 0.000) 23.372 5.289 ( -2.783 2.503 0.000) 3.743 5.702 ( 4.547 4.793 0.000) 6.606 5.954 ( -6.619 28.523 0.000) 29.281 6.175 ( 0.221 23.032 0.000) 23.033 8.847 ( -15.304 -0.934 0.000) 15.332 9.422 ( -10.040 -9.505 0.000) 13.826 9.908 ( 20.757 -4.496 0.000) 21.238 10.576 ( -7.785 -3.680 0.000) 8.611 10.745 ( 19.794 0.822 0.000) 19.811 10.945 ( 1.803 4.265 0.000) 4.631 11.696 ( -5.522 -7.862 0.000) 9.607 11.734 ( -17.094 -1.597 0.000) 17.169 12.298 ( 1.010 21.816 0.000) 21.839 12.774 ( 8.562 -2.121 0.000) 8.821 12.972 ( 1.278 -13.279 0.000) 13.341 13.616 ( 1.890 -19.041 0.000) 19.134 13.675 ( -1.162 6.158 0.000) 6.267 14.658 ( 2.207 -9.101 0.000) 9.365 14.836 ( -0.402 6.772 0.000) 6.784 15.078 ( -0.368 34.649 0.000) 34.651 16.219 ( -0.097 -39.165 0.000) 39.165 17.207 ( -1.105 14.672 0.000) 14.713 17.285 ( -1.657 -9.212 0.000) 9.360 17.449 ( -0.003 -15.703 0.000) 15.703 17.787 ( 0.677 10.451 0.000) 10.473 18.013 ( -0.977 13.559 0.000) 13.595 18.358 ( -2.851 6.501 0.000) 7.099 18.361 ( 4.229 -1.509 0.000) 4.490 ======================= Grid point 28 (21/155) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -18.821 5.873 0.000) 19.716 2.006 ( -0.258 18.193 0.000) 18.195 2.632 ( 1.596 -7.462 0.000) 7.631 2.988 ( 7.692 -13.034 0.000) 15.135 3.156 ( -2.527 -7.399 0.000) 7.819 3.457 ( 5.819 8.614 0.000) 10.395 3.568 ( -6.711 6.755 0.000) 9.522 3.983 ( 2.085 -9.329 0.000) 9.559 4.142 ( -0.389 4.767 0.000) 4.783 4.163 ( 0.136 1.012 0.000) 1.021 4.323 ( -2.917 -19.381 0.000) 19.599 4.799 ( -0.319 5.623 0.000) 5.632 5.080 ( 6.623 5.524 0.000) 8.624 5.234 ( 1.470 26.436 0.000) 26.477 5.337 ( -7.393 28.077 0.000) 29.034 5.654 ( -1.643 -29.517 0.000) 29.562 5.667 ( 1.182 -11.707 0.000) 11.767 5.987 ( 1.840 -3.887 0.000) 4.300 8.749 ( -7.347 0.852 0.000) 7.397 9.509 ( -5.536 -7.146 0.000) 9.040 10.155 ( 14.473 -5.886 0.000) 15.625 10.536 ( -8.439 -0.684 0.000) 8.467 10.904 ( 0.904 0.957 0.000) 1.317 10.967 ( 26.470 -0.872 0.000) 26.484 11.530 ( -25.580 2.769 0.000) 25.729 11.895 ( -0.567 -14.846 0.000) 14.857 11.953 ( 0.281 15.276 0.000) 15.279 12.774 ( 3.890 5.972 0.000) 7.127 13.171 ( -0.699 22.117 0.000) 22.128 13.316 ( 1.104 -20.485 0.000) 20.515 14.353 ( -0.502 41.412 0.000) 41.415 14.411 ( 0.201 -40.481 0.000) 40.482 14.703 ( -0.368 9.398 0.000) 9.405 14.810 ( 0.928 -6.126 0.000) 6.196 16.827 ( -0.285 26.864 0.000) 26.865 16.887 ( 0.470 -33.440 0.000) 33.444 17.405 ( -1.633 -6.123 0.000) 6.337 17.576 ( 0.542 11.772 0.000) 11.784 17.739 ( -0.270 15.593 0.000) 15.595 17.765 ( 0.036 -17.484 0.000) 17.484 18.213 ( -1.075 7.029 0.000) 7.111 18.478 ( 1.932 -7.575 0.000) 7.817 ======================= Grid point 29 (22/155) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 0.000 9.491 0.000) 9.491 1.661 ( 0.000 19.064 0.000) 19.064 2.805 ( -0.000 -9.503 0.000) 9.503 3.150 ( 0.000 3.729 0.000) 3.729 3.298 ( -0.000 -12.649 0.000) 12.649 3.342 ( 0.000 12.979 0.000) 12.979 3.378 ( 0.000 5.508 0.000) 5.508 4.088 ( 0.000 0.049 0.000) 0.049 4.124 ( -0.000 -5.745 0.000) 5.745 4.127 ( 0.000 2.943 0.000) 2.943 4.494 ( 0.000 24.977 0.000) 24.977 4.603 ( 0.000 14.352 0.000) 14.352 4.701 ( 0.000 31.400 0.000) 31.400 4.730 ( -0.000 -2.464 0.000) 2.464 5.208 ( -0.000 -10.666 0.000) 10.666 5.766 ( 0.000 0.496 0.000) 0.496 6.163 ( -0.000 -24.980 0.000) 24.980 6.317 ( -0.000 -24.729 0.000) 24.729 8.686 ( 0.000 2.540 0.000) 2.540 9.585 ( -0.000 -3.822 0.000) 3.822 10.370 ( -0.000 -8.983 0.000) 8.983 10.458 ( 0.000 3.931 0.000) 3.931 10.937 ( -0.000 -4.133 0.000) 4.133 11.161 ( 0.000 14.951 0.000) 14.951 11.221 ( -0.000 -3.950 0.000) 3.950 11.769 ( 0.000 4.412 0.000) 4.412 12.194 ( -0.000 -15.508 0.000) 15.508 12.650 ( 0.000 9.191 0.000) 9.191 12.857 ( 0.000 10.177 0.000) 10.177 13.549 ( 0.000 44.949 0.000) 44.949 13.714 ( -0.000 -22.088 0.000) 22.088 14.506 ( 0.000 11.961 0.000) 11.961 14.905 ( -0.000 -3.957 0.000) 3.957 15.105 ( -0.000 -34.568 0.000) 34.568 16.215 ( 0.000 38.795 0.000) 38.795 17.388 ( 0.000 8.827 0.000) 8.827 17.438 ( 0.000 16.952 0.000) 16.952 17.454 ( -0.000 -27.556 0.000) 27.556 17.490 ( -0.000 -4.310 0.000) 4.310 18.042 ( -0.000 -5.123 0.000) 5.123 18.120 ( -0.000 -4.764 0.000) 4.764 18.652 ( -0.000 -9.950 0.000) 9.950 ======================= Grid point 34 (23/155) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( -0.776 0.000 0.000) 0.776 0.601 ( 14.658 -0.000 0.000) 14.658 2.172 ( -3.980 0.000 0.000) 3.980 2.278 ( -13.732 0.000 0.000) 13.732 2.304 ( 30.972 -0.000 0.000) 30.972 3.242 ( -1.752 0.000 0.000) 1.752 3.421 ( 1.034 -0.000 0.000) 1.034 3.492 ( 8.396 -0.000 0.000) 8.396 3.618 ( -0.589 0.000 0.000) 0.589 4.004 ( 3.894 -0.000 0.000) 3.894 4.010 ( 3.410 -0.000 0.000) 3.410 4.466 ( 1.163 -0.000 0.000) 1.163 4.573 ( 0.031 -0.000 0.000) 0.031 5.467 ( -13.123 0.000 0.000) 13.123 5.502 ( -7.470 0.000 0.000) 7.470 5.647 ( 7.709 -0.000 0.000) 7.709 7.154 ( -4.844 0.000 0.000) 4.844 7.224 ( 4.350 -0.000 0.000) 4.350 8.858 ( -18.657 0.000 0.000) 18.657 9.244 ( 24.530 -0.000 0.000) 24.530 9.396 ( -26.874 0.000 0.000) 26.874 10.940 ( 8.614 -0.000 0.000) 8.614 11.046 ( -16.059 0.000 0.000) 16.059 11.046 ( -2.759 0.000 0.000) 2.759 11.216 ( -3.119 0.000 0.000) 3.119 11.731 ( 2.016 -0.000 0.000) 2.016 12.151 ( 6.412 -0.000 0.000) 6.412 12.548 ( 16.937 -0.000 0.000) 16.937 12.570 ( -3.712 0.000 0.000) 3.712 13.367 ( 0.467 -0.000 0.000) 0.467 13.652 ( -1.311 0.000 0.000) 1.311 13.682 ( -0.271 0.000 0.000) 0.271 14.928 ( 0.007 -0.000 0.000) 0.007 16.410 ( -0.011 0.000 0.000) 0.011 16.427 ( -0.313 0.000 0.000) 0.313 16.705 ( 0.942 -0.000 0.000) 0.942 17.060 ( -0.053 0.000 0.000) 0.053 17.642 ( 0.028 -0.000 0.000) 0.028 17.883 ( -0.061 0.000 0.000) 0.061 17.890 ( -0.038 0.000 0.000) 0.038 18.580 ( 2.100 -0.000 0.000) 2.100 18.599 ( -2.796 0.000 0.000) 2.796 ======================= Grid point 35 (24/155) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -5.250 -13.843 0.000) 14.805 1.151 ( 5.541 -35.509 0.000) 35.939 2.285 ( -1.179 -14.352 0.000) 14.400 2.363 ( -11.655 -19.137 0.000) 22.406 2.588 ( 23.138 -5.410 0.000) 23.762 3.152 ( -1.058 6.797 0.000) 6.879 3.285 ( -3.312 10.713 0.000) 11.213 3.581 ( 9.450 -1.963 0.000) 9.652 3.718 ( 1.424 -6.912 0.000) 7.057 4.110 ( 2.588 -7.807 0.000) 8.225 4.119 ( 3.774 -7.187 0.000) 8.118 4.407 ( 1.136 7.636 0.000) 7.720 4.503 ( -1.210 6.422 0.000) 6.535 5.305 ( -13.182 4.431 0.000) 13.907 5.495 ( -4.055 -5.090 0.000) 6.508 5.686 ( 6.432 2.886 0.000) 7.050 7.048 ( -4.727 7.208 0.000) 8.620 7.186 ( 3.293 7.928 0.000) 8.585 8.762 ( -16.267 -5.176 0.000) 17.071 9.192 ( -20.100 -0.971 0.000) 20.123 9.488 ( 25.757 -2.535 0.000) 25.882 10.765 ( -10.097 10.390 0.000) 14.488 10.930 ( -1.258 9.562 0.000) 9.644 11.029 ( 5.581 -1.983 0.000) 5.923 11.288 ( -6.093 -10.008 0.000) 11.717 11.820 ( 0.010 -10.667 0.000) 10.667 12.214 ( 6.207 -1.792 0.000) 6.461 12.364 ( -4.464 15.801 0.000) 16.419 12.705 ( 12.320 -2.617 0.000) 12.595 13.517 ( -1.198 12.948 0.000) 13.003 13.771 ( 1.753 -32.221 0.000) 32.268 13.885 ( -1.142 -23.364 0.000) 23.392 14.944 ( 0.042 -1.264 0.000) 1.265 15.980 ( 6.891 50.121 0.000) 50.592 16.325 ( -0.066 9.268 0.000) 9.269 16.586 ( 0.904 -5.578 0.000) 5.651 17.081 ( -0.052 -2.270 0.000) 2.270 17.619 ( -0.111 2.607 0.000) 2.610 17.892 ( -0.098 -0.392 0.000) 0.404 18.208 ( -5.904 -20.883 0.000) 21.702 18.530 ( -2.807 3.952 0.000) 4.847 18.579 ( 2.820 3.004 0.000) 4.120 ======================= Grid point 36 (25/155) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -7.967 -13.883 0.000) 16.006 1.794 ( 0.208 -30.608 0.000) 30.609 2.613 ( 6.045 -14.755 0.000) 15.945 2.645 ( -6.020 -15.302 0.000) 16.444 2.832 ( 14.063 3.199 0.000) 14.422 3.056 ( -11.176 3.534 0.000) 11.721 3.094 ( -0.828 -9.106 0.000) 9.144 3.804 ( 9.117 -15.661 0.000) 18.122 3.828 ( 1.464 -2.896 0.000) 3.245 4.205 ( -0.404 10.570 0.000) 10.578 4.269 ( 3.668 -4.523 0.000) 5.823 4.341 ( 1.032 -3.072 0.000) 3.241 4.367 ( 0.026 -2.807 0.000) 2.807 5.100 ( -11.903 5.254 0.000) 13.011 5.598 ( 0.224 -6.961 0.000) 6.964 5.644 ( 5.018 7.226 0.000) 8.797 6.801 ( -4.206 15.624 0.000) 16.180 6.987 ( 1.801 16.123 0.000) 16.223 8.728 ( -14.420 -5.056 0.000) 15.281 9.114 ( -11.046 -5.599 0.000) 12.384 9.771 ( 25.303 -3.429 0.000) 25.534 10.537 ( -13.171 3.420 0.000) 13.608 10.805 ( 7.078 5.287 0.000) 8.835 11.079 ( 2.704 0.976 0.000) 2.875 11.402 ( -10.220 -9.445 0.000) 13.917 11.968 ( -1.546 12.665 0.000) 12.759 12.237 ( -2.452 -25.860 0.000) 25.975 12.352 ( 5.256 -8.215 0.000) 9.753 12.840 ( 7.749 -2.108 0.000) 8.030 13.186 ( -1.177 21.035 0.000) 21.068 14.178 ( 2.030 -17.196 0.000) 17.315 14.621 ( -0.283 -46.100 0.000) 46.101 14.957 ( 0.027 0.260 0.000) 0.261 15.105 ( 5.794 48.995 0.000) 49.337 16.070 ( -0.133 18.403 0.000) 18.403 16.769 ( -0.533 -13.084 0.000) 13.094 17.142 ( -0.047 -4.455 0.000) 4.455 17.541 ( -0.454 5.590 0.000) 5.609 17.902 ( -0.208 -0.689 0.000) 0.720 18.404 ( -1.836 7.458 0.000) 7.681 18.410 ( -4.596 -6.909 0.000) 8.298 18.527 ( 3.182 5.508 0.000) 6.361 ======================= Grid point 37 (26/155) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -7.701 -7.697 0.000) 10.888 2.288 ( -0.082 -23.804 0.000) 23.804 2.604 ( -0.810 12.436 0.000) 12.463 2.651 ( 2.688 9.403 0.000) 9.780 2.924 ( 4.184 -6.062 0.000) 7.365 3.227 ( -6.234 -24.697 0.000) 25.472 3.402 ( 0.148 -19.308 0.000) 19.309 3.827 ( 1.266 4.590 0.000) 4.762 4.008 ( -1.127 8.221 0.000) 8.298 4.227 ( -0.203 4.578 0.000) 4.583 4.258 ( 2.781 -11.590 0.000) 11.919 4.394 ( 7.569 -17.946 0.000) 19.477 4.699 ( 1.259 -21.147 0.000) 21.184 4.924 ( -9.839 3.112 0.000) 10.320 5.510 ( 3.045 11.063 0.000) 11.475 5.719 ( 1.545 -4.425 0.000) 4.687 6.404 ( -2.870 23.932 0.000) 24.104 6.630 ( 0.506 23.462 0.000) 23.467 8.702 ( -8.270 -3.240 0.000) 8.882 9.185 ( -4.926 -8.928 0.000) 10.197 10.026 ( 20.130 -1.673 0.000) 20.199 10.412 ( -14.648 -3.633 0.000) 15.091 10.864 ( 11.573 -1.989 0.000) 11.742 11.042 ( 1.019 4.330 0.000) 4.448 11.458 ( -10.921 -6.705 0.000) 12.815 11.731 ( -2.285 7.700 0.000) 8.031 12.597 ( 4.297 -12.351 0.000) 13.078 12.753 ( -1.407 22.237 0.000) 22.282 12.868 ( -0.018 -39.847 0.000) 39.847 12.916 ( 2.880 -0.394 0.000) 2.907 14.311 ( 1.675 40.377 0.000) 40.412 14.473 ( 1.314 -12.973 0.000) 13.039 14.925 ( -0.026 3.301 0.000) 3.301 15.454 ( -0.010 -43.798 0.000) 43.798 15.649 ( -0.122 27.198 0.000) 27.198 17.035 ( -0.689 -15.593 0.000) 15.609 17.246 ( -0.005 -7.230 0.000) 7.230 17.406 ( -0.460 8.758 0.000) 8.771 17.898 ( -0.145 1.869 0.000) 1.875 18.227 ( -0.762 10.569 0.000) 10.596 18.420 ( -1.910 1.872 0.000) 2.674 18.441 ( 2.284 5.715 0.000) 6.155 ======================= Grid point 38 (27/155) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 0.000 1.748 0.000) 1.748 2.326 ( 0.000 16.622 0.000) 16.622 2.562 ( 0.000 0.184 0.000) 0.184 2.687 ( -0.000 -19.887 0.000) 19.887 3.051 ( -0.000 -5.717 0.000) 5.717 3.535 ( -0.000 -6.393 0.000) 6.393 3.696 ( 0.000 9.557 0.000) 9.557 3.745 ( -0.000 -16.903 0.000) 16.903 3.988 ( -0.000 -10.847 0.000) 10.847 4.181 ( 0.000 1.082 0.000) 1.082 4.243 ( 0.000 5.060 0.000) 5.060 4.819 ( 0.000 1.329 0.000) 1.329 5.028 ( -0.000 -34.835 0.000) 34.835 5.128 ( -0.000 -23.648 0.000) 23.648 5.300 ( 0.000 12.697 0.000) 12.697 5.743 ( 0.000 5.042 0.000) 5.042 5.888 ( 0.000 30.156 0.000) 30.156 6.177 ( 0.000 22.713 0.000) 22.713 8.710 ( -0.000 -1.484 0.000) 1.484 9.333 ( -0.000 -9.098 0.000) 9.098 10.146 ( -0.000 -2.354 0.000) 2.354 10.436 ( -0.000 -5.073 0.000) 5.073 10.961 ( 0.000 4.305 0.000) 4.305 11.016 ( -0.000 -6.150 0.000) 6.150 11.452 ( 0.000 0.857 0.000) 0.857 11.698 ( -0.000 -5.393 0.000) 5.393 12.307 ( 0.000 22.384 0.000) 22.384 12.849 ( -0.000 -2.903 0.000) 2.903 12.983 ( -0.000 -12.809 0.000) 12.809 13.639 ( -0.000 -42.898 0.000) 42.898 13.659 ( 0.000 31.144 0.000) 31.144 14.678 ( -0.000 -8.916 0.000) 8.916 14.833 ( 0.000 7.017 0.000) 7.017 15.075 ( 0.000 34.711 0.000) 34.711 16.218 ( -0.000 -39.200 0.000) 39.200 17.197 ( 0.000 14.600 0.000) 14.600 17.270 ( -0.000 -9.048 0.000) 9.048 17.449 ( -0.000 -15.611 0.000) 15.611 17.793 ( 0.000 9.885 0.000) 9.885 18.004 ( 0.000 13.322 0.000) 13.322 18.333 ( 0.000 6.113 0.000) 6.113 18.400 ( -0.000 -1.105 0.000) 1.105 ======================= Grid point 45 (28/155) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( -5.390 0.000 0.000) 5.390 0.838 ( 11.416 -0.000 0.000) 11.416 2.056 ( -10.809 0.000 0.000) 10.809 2.122 ( -1.755 0.000 0.000) 1.755 2.693 ( 13.570 -0.000 0.000) 13.570 3.217 ( -1.059 0.000 0.000) 1.059 3.442 ( 1.116 -0.000 0.000) 1.116 3.607 ( -0.562 0.000 0.000) 0.562 3.687 ( 12.542 -0.000 0.000) 12.542 4.056 ( 1.826 -0.000 0.000) 1.826 4.057 ( 2.110 -0.000 0.000) 2.110 4.493 ( 1.851 -0.000 0.000) 1.851 4.565 ( -0.931 0.000 0.000) 0.931 5.233 ( -12.386 0.000 0.000) 12.386 5.394 ( -4.550 0.000 0.000) 4.550 5.763 ( 5.095 -0.000 0.000) 5.095 7.079 ( -3.395 0.000 0.000) 3.395 7.285 ( 2.562 -0.000 0.000) 2.562 8.601 ( -10.385 0.000 0.000) 10.385 9.023 ( -15.182 0.000 0.000) 15.182 9.691 ( 25.950 -0.000 0.000) 25.950 10.667 ( -23.074 0.000 0.000) 23.074 11.051 ( 4.144 -0.000 0.000) 4.144 11.070 ( 1.767 -0.000 0.000) 1.767 11.161 ( -3.109 0.000 0.000) 3.109 11.761 ( 1.271 -0.000 0.000) 1.271 12.244 ( 3.914 -0.000 0.000) 3.914 12.518 ( -2.154 0.000 0.000) 2.154 12.773 ( 8.792 -0.000 0.000) 8.792 13.373 ( 0.204 -0.000 0.000) 0.204 13.632 ( -0.859 0.000 0.000) 0.859 13.677 ( -0.260 0.000 0.000) 0.260 14.929 ( 0.074 -0.000 0.000) 0.074 16.410 ( -0.011 0.000 0.000) 0.011 16.422 ( -0.192 0.000 0.000) 0.192 16.718 ( 0.572 -0.000 0.000) 0.572 17.059 ( -0.033 0.000 0.000) 0.033 17.644 ( 0.139 -0.000 0.000) 0.139 17.882 ( -0.038 0.000 0.000) 0.038 17.889 ( -0.024 0.000 0.000) 0.024 18.544 ( -2.259 0.000 0.000) 2.259 18.623 ( 1.643 -0.000 0.000) 1.643 ======================= Grid point 46 (29/155) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -4.167 -12.601 0.000) 13.272 1.236 ( 3.154 -28.631 0.000) 28.804 2.208 ( -5.178 -21.708 0.000) 22.317 2.278 ( 0.037 -17.139 0.000) 17.139 2.844 ( 6.767 -7.090 0.000) 9.801 3.136 ( -0.556 7.436 0.000) 7.457 3.243 ( -1.292 15.517 0.000) 15.570 3.735 ( 0.496 -7.779 0.000) 7.795 3.746 ( 6.841 0.341 0.000) 6.850 4.140 ( 0.878 -7.668 0.000) 7.718 4.174 ( 2.188 -8.058 0.000) 8.349 4.432 ( 1.555 9.141 0.000) 9.272 4.476 ( -1.600 6.158 0.000) 6.362 5.103 ( -7.723 4.011 0.000) 8.702 5.447 ( -1.417 -7.751 0.000) 7.879 5.771 ( 2.756 3.006 0.000) 4.078 6.987 ( -1.998 7.622 0.000) 7.880 7.226 ( 1.241 8.296 0.000) 8.388 8.562 ( -6.075 -3.051 0.000) 6.798 8.951 ( -7.088 -3.185 0.000) 7.770 9.934 ( 23.818 -2.620 0.000) 23.961 10.434 ( -21.360 3.195 0.000) 21.597 11.007 ( 4.619 8.167 0.000) 9.383 11.093 ( 1.817 -1.157 0.000) 2.153 11.191 ( -4.376 -5.869 0.000) 7.321 11.825 ( 0.273 -10.758 0.000) 10.762 12.289 ( 2.244 -2.550 0.000) 3.396 12.305 ( -1.909 17.799 0.000) 17.901 12.852 ( 4.284 -2.001 0.000) 4.728 13.502 ( -0.482 13.038 0.000) 13.047 13.795 ( 0.901 -38.002 0.000) 38.013 13.868 ( -0.685 -18.514 0.000) 18.526 14.945 ( 0.045 -1.245 0.000) 1.246 16.054 ( 1.954 44.885 0.000) 44.928 16.324 ( -0.027 9.334 0.000) 9.334 16.598 ( 0.395 -3.867 0.000) 3.887 17.080 ( -0.020 -2.261 0.000) 2.261 17.618 ( 0.002 2.908 0.000) 2.908 17.891 ( -0.035 -0.307 0.000) 0.309 18.144 ( -1.752 -18.141 0.000) 18.225 18.494 ( -1.148 3.747 0.000) 3.919 18.614 ( 1.080 2.231 0.000) 2.478 ======================= Grid point 47 (30/155) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -0.000 -12.440 0.000) 12.440 1.795 ( -0.000 -29.344 0.000) 29.344 2.588 ( -0.000 -16.326 0.000) 16.326 2.699 ( -0.000 -26.647 0.000) 26.647 2.926 ( 0.000 16.691 0.000) 16.691 2.960 ( 0.000 9.214 0.000) 9.214 3.080 ( -0.000 -14.911 0.000) 14.911 3.841 ( -0.000 -3.049 0.000) 3.049 3.900 ( -0.000 -15.807 0.000) 15.807 4.202 ( 0.000 11.154 0.000) 11.154 4.309 ( -0.000 -4.704 0.000) 4.704 4.344 ( 0.000 7.487 0.000) 7.487 4.373 ( -0.000 -13.724 0.000) 13.724 4.975 ( 0.000 5.637 0.000) 5.637 5.601 ( -0.000 -8.383 0.000) 8.383 5.692 ( 0.000 7.122 0.000) 7.122 6.761 ( 0.000 15.991 0.000) 15.991 7.003 ( 0.000 16.472 0.000) 16.472 8.599 ( -0.000 -3.811 0.000) 3.811 9.016 ( -0.000 -6.826 0.000) 6.826 10.181 ( -0.000 -6.941 0.000) 6.941 10.211 ( 0.000 4.884 0.000) 4.884 10.915 ( 0.000 3.312 0.000) 3.312 11.102 ( 0.000 1.396 0.000) 1.396 11.286 ( -0.000 -6.918 0.000) 6.918 11.955 ( 0.000 16.935 0.000) 16.935 12.214 ( -0.000 -29.904 0.000) 29.904 12.399 ( -0.000 -8.705 0.000) 8.705 12.908 ( -0.000 -1.858 0.000) 1.858 13.175 ( 0.000 21.398 0.000) 21.398 14.196 ( -0.000 -17.401 0.000) 17.401 14.619 ( -0.000 -46.553 0.000) 46.553 14.957 ( 0.000 0.288 0.000) 0.288 15.156 ( 0.000 49.596 0.000) 49.596 16.068 ( 0.000 18.447 0.000) 18.447 16.765 ( -0.000 -12.611 0.000) 12.611 17.142 ( -0.000 -4.453 0.000) 4.453 17.537 ( 0.000 5.827 0.000) 5.827 17.900 ( -0.000 -0.601 0.000) 0.601 18.370 ( -0.000 -7.072 0.000) 7.072 18.388 ( 0.000 7.270 0.000) 7.270 18.555 ( 0.000 4.870 0.000) 4.870 ======================= Grid point 58 (31/155) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( 0.000 -0.000 0.000) 0.000 0.949 ( 0.000 -0.000 0.000) 0.000 1.950 ( 0.000 -0.000 0.000) 0.000 2.107 ( 0.000 -0.000 0.000) 0.000 2.804 ( 0.000 -0.000 0.000) 0.000 3.207 ( 0.000 -0.000 0.000) 0.000 3.453 ( 0.000 -0.000 0.000) 0.000 3.602 ( 0.000 -0.000 0.000) 0.000 3.823 ( 0.000 -0.000 0.000) 0.000 4.072 ( 0.000 -0.000 0.000) 0.000 4.075 ( -0.000 0.000 0.000) 0.000 4.517 ( -0.000 0.000 0.000) 0.000 4.550 ( 0.000 -0.000 0.000) 0.000 5.107 ( 0.000 -0.000 0.000) 0.000 5.353 ( 0.000 -0.000 0.000) 0.000 5.809 ( 0.000 -0.000 0.000) 0.000 7.048 ( 0.000 -0.000 0.000) 0.000 7.308 ( 0.000 -0.000 0.000) 0.000 8.509 ( 0.000 -0.000 0.000) 0.000 8.888 ( 0.000 -0.000 0.000) 0.000 10.036 ( 0.000 -0.000 0.000) 0.000 10.347 ( -0.000 0.000 0.000) 0.000 11.087 ( 0.000 -0.000 0.000) 0.000 11.101 ( 0.000 -0.000 0.000) 0.000 11.118 ( 0.000 -0.000 0.000) 0.000 11.772 ( 0.000 -0.000 0.000) 0.000 12.279 ( 0.000 -0.000 0.000) 0.000 12.499 ( 0.000 -0.000 0.000) 0.000 12.850 ( 0.000 -0.000 0.000) 0.000 13.375 ( 0.000 -0.000 0.000) 0.000 13.624 ( 0.000 -0.000 0.000) 0.000 13.675 ( 0.000 -0.000 0.000) 0.000 14.930 ( 0.000 -0.000 0.000) 0.000 16.410 ( 0.000 -0.000 0.000) 0.000 16.420 ( 0.000 -0.000 0.000) 0.000 16.723 ( 0.000 -0.000 0.000) 0.000 17.059 ( 0.000 -0.000 0.000) 0.000 17.645 ( 0.000 -0.000 0.000) 0.000 17.882 ( 0.000 -0.000 0.000) 0.000 17.889 ( 0.000 -0.000 0.000) 0.000 18.523 ( 0.000 -0.000 0.000) 0.000 18.638 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 105 (32/155) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.253 ( 0.000 0.000 12.978) 12.978 0.537 ( 0.000 0.000 25.201) 25.201 1.232 ( 0.000 0.000 58.689) 58.689 2.622 ( 0.000 0.000 6.007) 6.007 2.921 ( 0.000 0.000 15.949) 15.949 3.059 ( 0.000 0.000 -18.939) 18.939 3.255 ( 0.000 0.000 -1.348) 1.348 3.546 ( 0.000 0.000 1.222) 1.222 3.759 ( 0.000 0.000 6.791) 6.791 3.886 ( 0.000 0.000 7.567) 7.567 3.897 ( 0.000 0.000 5.011) 5.011 4.364 ( 0.000 0.000 -10.619) 10.619 4.459 ( 0.000 0.000 -5.332) 5.332 5.467 ( 0.000 0.000 8.344) 8.344 5.753 ( 0.000 0.000 -4.916) 4.916 5.804 ( 0.000 0.000 -2.271) 2.271 7.000 ( 0.000 0.000 -8.772) 8.772 7.226 ( 0.000 0.000 -9.322) 9.322 8.597 ( 0.000 0.000 8.976) 8.976 9.714 ( 0.000 0.000 6.299) 6.299 10.106 ( 0.000 0.000 2.860) 2.860 10.219 ( 0.000 0.000 -2.198) 2.198 10.921 ( 0.000 0.000 -8.716) 8.716 11.198 ( 0.000 0.000 -6.167) 6.167 11.363 ( 0.000 0.000 4.698) 4.698 11.714 ( 0.000 0.000 5.439) 5.439 11.774 ( 0.000 0.000 13.060) 13.060 11.964 ( 0.000 0.000 13.142) 13.142 12.450 ( 0.000 0.000 -19.947) 19.947 13.531 ( 0.000 0.000 -14.327) 14.327 13.690 ( 0.000 0.000 11.870) 11.870 14.179 ( 0.000 0.000 32.132) 32.132 14.837 ( 0.000 0.000 -15.253) 15.253 14.950 ( 0.000 0.000 1.059) 1.059 16.335 ( 0.000 0.000 -10.156) 10.156 16.550 ( 0.000 0.000 12.250) 12.250 17.089 ( 0.000 0.000 2.579) 2.579 17.619 ( 0.000 0.000 -3.166) 3.166 17.889 ( 0.000 0.000 0.473) 0.473 18.426 ( 0.000 0.000 -3.820) 3.820 18.699 ( 0.000 0.000 -2.652) 2.652 19.106 ( 0.000 0.000 -4.379) 4.379 ======================= Grid point 106 (33/155) ======================= q-point: ( 0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 35.820 -3.940 7.598) 36.829 0.914 ( 0.688 -24.165 20.179) 31.490 1.491 ( 0.968 -28.798 38.060) 47.737 2.479 ( -2.261 0.920 4.658) 5.259 3.021 ( 1.071 3.681 -15.099) 15.578 3.132 ( -3.793 -13.410 5.988) 15.169 3.293 ( 0.825 -2.679 -2.700) 3.892 3.642 ( -4.705 -13.597 10.609) 17.877 3.730 ( 0.144 2.918 7.189) 7.760 3.802 ( 2.132 2.447 -0.915) 3.372 4.091 ( 4.515 -10.855 10.353) 15.665 4.316 ( -0.207 4.886 -10.103) 11.225 4.423 ( 0.697 4.112 -5.157) 6.633 5.420 ( 1.047 5.897 7.304) 9.446 5.703 ( -1.803 4.271 -4.396) 6.389 5.784 ( -2.517 0.894 -1.280) 2.962 6.891 ( 1.018 9.314 -10.318) 13.937 7.230 ( -1.807 2.151 -6.881) 7.432 8.634 ( 5.660 -1.328 8.472) 10.275 9.769 ( 11.893 2.802 2.302) 12.433 10.001 ( -20.911 -6.025 2.358) 21.889 10.389 ( 14.203 -3.847 1.150) 14.760 10.816 ( -22.866 -1.345 -1.081) 22.931 11.328 ( 17.891 2.302 -5.408) 18.831 11.534 ( 0.791 -17.281 4.572) 17.893 11.670 ( 5.758 7.268 13.923) 16.728 11.930 ( 0.643 -15.999 0.408) 16.017 12.095 ( -2.341 -10.160 10.154) 14.553 12.293 ( 1.437 13.264 -14.378) 19.614 13.422 ( 0.065 12.279 -12.613) 17.603 13.728 ( 2.571 -6.805 7.078) 10.150 14.325 ( -1.777 -19.036 28.269) 34.127 14.752 ( 8.571 15.141 -16.193) 23.768 14.987 ( 0.394 -3.063 2.518) 3.984 16.332 ( -0.113 4.249 -5.320) 6.810 16.570 ( 0.026 -5.398 6.393) 8.367 17.104 ( -0.025 -1.668 1.994) 2.599 17.606 ( -0.141 1.371 -3.227) 3.510 17.878 ( -0.033 0.167 -0.512) 0.540 18.369 ( 1.226 6.721 -3.900) 7.866 18.645 ( -1.244 5.128 -3.097) 6.118 19.028 ( -8.480 2.471 -2.167) 9.095 ======================= Grid point 107 (34/155) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 37.174 -4.838 5.620) 37.907 1.293 ( 2.033 -17.533 24.457) 30.161 2.142 ( -3.384 -36.240 5.028) 36.743 2.589 ( -4.963 -14.821 -3.311) 15.977 2.972 ( 2.909 2.700 -9.853) 10.622 3.265 ( -6.301 -5.857 2.215) 8.883 3.368 ( -0.767 -5.961 -3.139) 6.780 3.683 ( 2.797 2.849 3.837) 5.537 3.831 ( 3.495 -2.564 -7.404) 8.580 3.948 ( -4.667 -22.384 19.414) 29.996 4.189 ( -0.964 7.442 -9.233) 11.898 4.320 ( 1.438 3.281 -2.360) 4.290 4.362 ( 6.007 -8.609 10.835) 15.086 5.270 ( 1.273 11.074 3.884) 11.804 5.590 ( 0.070 6.485 -2.409) 6.919 5.739 ( -4.890 -0.019 1.606) 5.147 6.676 ( 0.560 15.434 -14.308) 21.054 7.104 ( -2.012 9.366 0.269) 9.584 8.743 ( 11.263 -2.412 7.027) 13.493 9.796 ( 8.587 3.681 0.231) 9.345 9.987 ( -21.017 -11.638 2.634) 24.169 10.364 ( -24.326 0.878 0.103) 24.342 10.849 ( 11.303 -5.977 10.272) 16.401 11.299 ( 0.903 6.646 7.606) 10.141 11.678 ( 19.765 4.382 5.634) 21.014 11.849 ( -0.652 2.868 -3.029) 4.222 12.067 ( -2.353 -19.703 1.126) 19.875 12.292 ( 2.344 -12.534 7.527) 14.807 12.316 ( 0.589 -12.971 2.349) 13.195 13.112 ( 0.041 20.126 -12.023) 23.444 13.996 ( 4.242 -16.704 0.986) 17.262 14.455 ( 4.556 21.831 -12.341) 25.488 14.792 ( -0.423 -28.970 13.071) 31.785 15.057 ( -0.344 -6.170 8.428) 10.450 16.124 ( -0.263 17.185 2.472) 17.364 16.765 ( -0.401 -14.162 -2.940) 14.470 17.150 ( -0.077 -3.437 0.458) 3.468 17.563 ( -0.815 2.919 -3.300) 4.481 17.893 ( -0.400 -1.664 -1.989) 2.623 18.209 ( 3.803 12.546 -4.253) 13.782 18.496 ( -2.023 9.418 -4.174) 10.499 18.888 ( -7.358 5.414 -2.556) 9.486 ======================= Grid point 108 (35/155) ======================= q-point: ( 0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 32.967 -5.334 4.786) 33.737 1.612 ( 3.229 -14.572 22.146) 26.706 2.545 ( -10.988 -13.046 -12.607) 21.210 2.859 ( -7.566 -14.704 1.459) 16.600 2.994 ( 0.483 -2.432 -2.114) 3.258 3.360 ( 0.176 -11.637 2.245) 11.853 3.490 ( -2.510 -10.013 -8.667) 13.479 3.665 ( 2.002 2.305 -2.298) 3.821 3.919 ( 2.055 -2.761 -11.564) 12.065 4.061 ( -0.360 2.858 -8.291) 8.777 4.207 ( 0.376 6.306 -3.507) 7.225 4.343 ( -2.374 -22.266 17.995) 28.727 4.647 ( 6.002 -13.399 12.190) 19.083 5.061 ( 3.871 13.073 -0.215) 13.636 5.481 ( 4.081 7.147 -0.793) 8.268 5.719 ( -6.582 -3.888 7.227) 10.520 6.326 ( -1.927 21.799 -15.877) 27.037 6.858 ( -1.765 15.511 7.734) 17.422 8.914 ( 16.334 -2.959 4.853) 17.295 9.771 ( -0.689 4.010 -4.430) 6.015 10.037 ( -21.471 -13.261 2.409) 25.350 10.137 ( -17.277 1.142 6.297) 18.424 10.992 ( 8.738 1.570 15.020) 17.448 11.186 ( -2.345 4.410 15.708) 16.483 11.646 ( 0.712 6.888 -10.472) 12.554 11.901 ( 22.566 -3.328 3.135) 23.025 12.337 ( -11.270 -9.673 3.658) 15.296 12.518 ( 4.688 -1.654 8.820) 10.125 12.710 ( 0.418 -5.633 -10.959) 12.329 12.870 ( 3.132 -22.949 2.284) 23.274 14.045 ( 0.628 22.360 -8.071) 23.780 14.357 ( 4.135 -15.172 3.686) 16.152 15.011 ( -0.179 -0.138 5.225) 5.230 15.518 ( -0.950 -37.652 7.566) 38.416 15.717 ( -0.425 26.169 4.186) 26.505 17.046 ( -0.707 -16.430 -5.740) 17.418 17.228 ( -0.248 -5.100 -1.692) 5.379 17.476 ( -2.335 5.417 -2.682) 6.480 17.871 ( 0.215 8.425 -3.731) 9.217 18.048 ( 6.737 4.943 -3.903) 9.223 18.271 ( -2.146 12.814 -5.356) 14.053 18.704 ( -6.049 8.087 -3.084) 10.559 ======================= Grid point 109 (36/155) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 24.350 -4.991 4.534) 25.266 1.862 ( 0.951 -9.173 15.231) 17.805 2.578 ( -6.037 -2.883 -5.036) 8.373 2.842 ( -8.900 5.020 6.367) 12.039 3.094 ( -6.586 -11.158 -0.344) 12.962 3.471 ( 4.404 11.398 -1.912) 12.368 3.622 ( 5.779 -8.128 0.967) 10.020 3.805 ( -7.735 -13.841 -12.989) 20.497 3.952 ( -1.811 -3.939 -12.606) 13.331 4.107 ( 0.309 4.287 -4.884) 6.506 4.144 ( -0.347 -12.115 -12.120) 17.140 4.687 ( 3.812 -4.401 3.699) 6.898 4.798 ( 0.674 -4.025 1.805) 4.462 5.029 ( 6.888 -8.263 4.516) 11.667 5.398 ( 6.229 6.819 -1.702) 9.392 5.761 ( -4.531 3.325 5.983) 8.209 5.908 ( -5.364 8.730 -2.909) 10.651 6.512 ( -1.431 20.209 14.900) 25.149 9.130 ( 20.272 -2.961 2.174) 20.602 9.610 ( -18.517 3.360 -4.561) 19.364 10.062 ( 9.005 4.214 6.980) 12.148 10.081 ( -23.620 -12.461 2.222) 26.797 10.994 ( 4.326 2.439 17.292) 17.991 11.091 ( -2.054 3.982 18.981) 19.503 11.619 ( 0.811 -3.809 -10.788) 11.470 12.074 ( 6.183 11.559 -9.006) 15.904 12.275 ( 10.939 1.039 2.434) 11.255 12.478 ( -9.282 -3.748 6.773) 12.086 12.893 ( 3.543 -13.623 0.946) 14.108 13.564 ( -0.198 -10.411 -0.181) 10.414 13.682 ( 0.201 -11.134 -1.186) 11.199 14.639 ( 3.056 -11.638 7.161) 14.003 14.961 ( -1.277 4.881 7.763) 9.258 15.145 ( -0.607 34.057 4.466) 34.354 16.219 ( -0.827 -37.076 0.374) 37.087 17.243 ( -2.591 12.151 -4.070) 13.074 17.317 ( -1.538 -10.380 -4.130) 11.277 17.401 ( 0.027 -10.403 -3.969) 11.134 17.646 ( 4.766 14.286 -5.500) 16.033 17.995 ( -1.558 15.212 -6.078) 16.456 18.125 ( 4.353 -5.332 -3.382) 7.669 18.494 ( -5.158 9.091 -3.331) 10.970 ======================= Grid point 110 (37/155) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -19.276 -7.077 6.587) 21.565 1.896 ( 19.277 7.077 6.587) 21.565 2.654 ( 3.075 -5.344 4.857) 7.849 2.654 ( -3.075 5.344 4.857) 7.849 3.268 ( -4.362 -12.934 -1.024) 13.688 3.268 ( 4.363 12.934 -1.024) 13.688 3.790 ( 5.743 -3.496 -2.323) 7.113 3.790 ( -5.743 3.496 -2.323) 7.113 4.039 ( -1.129 -4.280 -9.972) 10.910 4.039 ( 1.129 4.280 -9.972) 10.910 4.461 ( -8.424 -21.419 -12.457) 26.171 4.461 ( 8.424 21.419 -12.457) 26.171 5.098 ( -5.335 -13.705 0.868) 14.732 5.098 ( 5.335 13.705 0.868) 14.732 5.421 ( 4.345 -10.262 -5.312) 12.346 5.421 ( -4.345 10.262 -5.312) 12.346 6.123 ( -0.999 -20.245 19.688) 28.257 6.123 ( 0.999 20.245 19.688) 28.257 9.370 ( -22.119 2.741 -0.957) 22.308 9.370 ( 22.119 -2.741 -0.957) 22.309 10.081 ( -19.609 -8.264 3.723) 21.602 10.081 ( 19.609 8.264 3.723) 21.602 11.015 ( -7.137 -3.554 18.924) 20.535 11.015 ( 7.137 3.554 18.924) 20.535 11.795 ( 1.121 -13.676 -11.275) 17.760 11.795 ( -1.121 13.676 -11.275) 17.760 12.425 ( -16.116 -2.510 5.435) 17.192 12.425 ( 16.116 2.510 5.435) 17.192 13.221 ( 3.133 -18.579 -0.786) 18.858 13.221 ( -3.133 18.579 -0.786) 18.858 14.423 ( 1.313 -40.582 3.283) 40.736 14.423 ( -1.313 40.582 3.283) 40.736 14.846 ( 1.738 -7.796 8.850) 11.921 14.846 ( -1.738 7.796 8.850) 11.921 16.829 ( 0.249 -28.845 -2.233) 28.932 16.829 ( -0.249 28.845 -2.233) 28.932 17.462 ( -2.889 -9.303 -4.860) 10.886 17.462 ( 2.889 9.303 -4.860) 10.886 17.692 ( 0.822 -16.305 -6.359) 17.521 17.692 ( -0.822 16.305 -6.359) 17.521 18.291 ( 4.544 -8.164 -3.360) 9.929 18.291 ( -4.544 8.164 -3.360) 9.929 ======================= Grid point 117 (38/155) ======================= q-point: ( 0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 2.437 -0.000 24.109) 24.231 0.819 ( 36.540 -0.000 7.950) 37.395 1.282 ( 8.555 -0.000 51.910) 52.610 2.565 ( -4.904 0.000 11.861) 12.835 2.845 ( -8.058 0.000 14.079) 16.222 3.081 ( 2.105 -0.000 -15.473) 15.616 3.276 ( 1.846 -0.000 -3.250) 3.738 3.471 ( -4.898 0.000 3.124) 5.809 3.753 ( -0.833 0.000 7.153) 7.201 3.923 ( 3.969 -0.000 7.474) 8.463 3.963 ( 5.158 -0.000 5.261) 7.367 4.363 ( 0.023 -0.000 -9.707) 9.707 4.471 ( 1.193 -0.000 -5.759) 5.881 5.490 ( 2.659 -0.000 7.041) 7.527 5.710 ( -4.903 0.000 -4.822) 6.877 5.761 ( -4.926 0.000 -2.361) 5.462 7.007 ( 1.722 -0.000 -7.596) 7.789 7.205 ( -2.320 0.000 -9.105) 9.396 8.693 ( 10.811 -0.000 9.159) 14.169 9.677 ( -23.687 0.000 1.985) 23.770 10.109 ( 26.337 -0.000 -16.005) 30.819 10.482 ( -32.903 0.000 -4.351) 33.189 10.601 ( 22.809 -0.000 -5.340) 23.426 11.368 ( 0.566 -0.000 6.739) 6.763 11.428 ( 8.114 -0.000 -9.518) 12.507 11.697 ( -4.281 0.000 7.481) 8.619 11.895 ( 17.270 -0.000 10.213) 20.064 11.965 ( 0.902 -0.000 11.241) 11.277 12.453 ( -0.557 0.000 -19.851) 19.859 13.532 ( 0.152 -0.000 -14.228) 14.228 13.712 ( 2.218 -0.000 14.759) 14.925 14.110 ( -5.162 0.000 35.971) 36.339 14.949 ( -0.125 0.000 1.099) 1.106 15.121 ( 25.436 -0.000 -39.994) 47.398 16.333 ( -0.203 0.000 -10.163) 10.165 16.553 ( 0.345 -0.000 11.702) 11.707 17.088 ( -0.044 0.000 2.569) 2.569 17.618 ( -0.054 0.000 -2.994) 2.994 17.889 ( -0.000 0.000 0.508) 0.508 18.443 ( 1.853 -0.000 -3.949) 4.362 18.677 ( -2.494 0.000 -3.063) 3.950 18.881 ( -20.626 0.000 12.210) 23.969 ======================= Grid point 118 (39/155) ======================= q-point: ( 0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 2.381 -23.838 18.404) 30.210 1.126 ( 24.462 -7.571 11.582) 28.104 1.592 ( 16.436 -19.508 26.869) 37.050 2.411 ( -5.163 1.195 4.702) 7.085 3.017 ( -7.357 -14.052 8.022) 17.774 3.057 ( 1.660 2.836 -8.213) 8.846 3.308 ( 0.377 -1.514 -4.097) 4.384 3.558 ( -3.390 -13.401 10.520) 17.371 3.731 ( -0.047 1.156 6.155) 6.263 3.863 ( 4.402 2.565 -0.619) 5.132 4.191 ( 5.864 -11.208 10.557) 16.476 4.314 ( 0.137 5.067 -8.307) 9.731 4.442 ( 1.209 4.190 -5.360) 6.910 5.451 ( 2.141 6.892 3.407) 7.981 5.646 ( -4.413 1.821 -3.050) 5.665 5.700 ( -6.657 0.622 -1.340) 6.819 6.924 ( 2.433 9.983 -11.222) 15.215 7.183 ( -3.010 1.790 -5.055) 6.150 8.823 ( 15.547 -1.531 8.634) 17.849 9.547 ( -24.527 -8.604 2.245) 26.089 10.060 ( -6.946 12.149 -8.511) 16.379 10.237 ( -3.103 4.602 -2.862) 6.245 10.818 ( 13.632 -6.631 4.038) 15.688 11.387 ( -5.694 3.927 7.697) 10.349 11.559 ( -0.826 -13.918 5.918) 15.147 11.878 ( 2.928 -13.728 -5.320) 15.011 12.006 ( 17.398 3.921 10.956) 20.931 12.089 ( 3.851 -10.884 4.978) 12.573 12.299 ( -1.469 11.552 -15.035) 19.017 13.421 ( -0.292 12.366 -12.969) 17.922 13.800 ( 5.087 -8.570 9.563) 13.812 14.284 ( -2.564 -21.659 29.118) 36.380 14.936 ( 5.159 10.048 -10.723) 15.574 15.052 ( 12.123 14.570 -16.042) 24.832 16.328 ( -0.298 4.267 -5.483) 6.954 16.572 ( 0.116 -4.883 5.902) 7.662 17.103 ( -0.066 -1.656 1.978) 2.581 17.602 ( -0.233 1.703 -2.881) 3.355 17.877 ( -0.065 0.292 -0.441) 0.533 18.408 ( 3.018 5.875 -4.221) 7.838 18.604 ( -3.359 4.842 -3.771) 6.996 18.799 ( -15.338 -5.241 6.101) 17.320 ======================= Grid point 119 (40/155) ======================= q-point: ( 0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 1.245 -13.962 24.070) 27.854 1.559 ( 25.679 -12.124 2.930) 28.548 2.116 ( 3.363 -22.581 -1.133) 22.859 2.496 ( -4.527 -14.493 -1.171) 15.228 3.019 ( 1.792 1.825 -4.712) 5.362 3.145 ( -6.309 -7.023 5.185) 10.771 3.335 ( -3.255 -3.821 -3.078) 5.888 3.735 ( 2.815 0.080 0.806) 2.929 3.876 ( 0.084 -17.032 16.312) 23.583 3.914 ( 2.758 -7.785 -2.921) 8.760 4.174 ( -0.579 7.821 -7.766) 11.037 4.336 ( 0.388 6.458 -4.418) 7.835 4.475 ( 6.317 -11.509 14.424) 19.504 5.303 ( 2.405 10.064 -1.188) 10.415 5.562 ( -5.705 2.370 -1.593) 6.380 5.648 ( -2.837 0.375 2.092) 3.545 6.683 ( -0.064 17.521 -15.314) 23.271 7.065 ( -2.066 8.730 1.768) 9.144 9.014 ( 18.834 -2.761 6.440) 20.095 9.546 ( -24.726 -13.680 2.940) 28.411 9.757 ( -22.451 5.111 -5.081) 23.579 10.182 ( 10.566 5.036 2.411) 11.951 11.048 ( 8.785 -3.899 13.082) 16.234 11.233 ( -6.092 3.863 11.526) 13.597 11.786 ( -3.739 0.072 -0.532) 3.777 11.990 ( -4.022 -9.422 -2.578) 10.564 12.074 ( 17.572 2.738 8.451) 19.690 12.295 ( -1.057 -17.427 0.140) 17.460 12.404 ( 8.858 -13.078 0.652) 15.808 13.107 ( -0.774 19.838 -11.438) 22.913 14.094 ( 6.536 -15.627 3.700) 17.338 14.561 ( 7.113 28.617 -16.606) 33.842 14.783 ( -0.396 -31.185 13.496) 33.982 15.052 ( -0.122 -3.854 7.403) 8.347 16.117 ( -0.439 17.294 2.164) 17.435 16.755 ( -0.729 -13.759 -2.851) 14.070 17.148 ( -0.119 -3.373 0.424) 3.402 17.547 ( -0.954 3.865 -2.692) 4.805 17.885 ( -0.420 -1.005 -1.928) 2.214 18.293 ( 5.445 10.025 -4.962) 12.441 18.447 ( -3.334 8.852 -5.007) 10.703 18.729 ( -9.891 1.224 0.158) 9.968 ======================= Grid point 120 (41/155) ======================= q-point: ( 0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -5.079 -12.288 19.910) 23.942 1.961 ( 27.079 -5.740 3.793) 27.939 2.392 ( -5.415 -10.699 -13.140) 17.789 2.746 ( -4.182 -11.985 2.844) 13.008 2.951 ( -4.825 3.844 3.366) 7.028 3.333 ( -4.473 -20.019 -8.805) 22.323 3.449 ( -0.935 -11.064 -1.004) 11.149 3.711 ( 3.117 6.994 -1.191) 7.750 3.941 ( 0.173 1.616 -10.907) 11.028 4.069 ( 1.413 -0.837 -7.466) 7.645 4.207 ( -0.444 6.508 -3.445) 7.377 4.345 ( 2.815 -22.619 18.250) 29.200 4.746 ( 5.276 -11.316 11.138) 16.731 5.156 ( 6.540 9.509 -1.725) 11.669 5.479 ( -7.181 0.012 0.748) 7.220 5.642 ( 0.436 -1.387 5.322) 5.517 6.282 ( -3.027 24.325 -16.878) 29.761 6.826 ( -1.645 15.330 8.814) 17.760 9.239 ( 17.251 -3.936 2.137) 17.823 9.447 ( -26.535 0.484 -1.700) 26.594 9.651 ( -15.640 -12.049 3.286) 20.015 10.231 ( 14.917 2.044 3.657) 15.494 11.016 ( -7.149 3.145 14.909) 16.830 11.206 ( 5.878 3.251 19.298) 20.434 11.645 ( -0.383 5.987 -8.000) 9.999 12.107 ( -14.514 -8.721 2.756) 17.155 12.262 ( 17.256 -4.376 1.845) 17.897 12.609 ( 5.048 8.324 0.879) 9.775 12.726 ( 1.854 -9.767 -6.490) 11.872 12.910 ( 1.503 -26.780 2.924) 26.981 14.070 ( 2.257 27.169 -9.876) 28.996 14.437 ( 4.930 -14.008 5.693) 15.904 15.011 ( 0.298 1.078 6.058) 6.160 15.498 ( -1.292 -37.891 5.439) 38.301 15.707 ( -0.638 26.049 3.868) 26.343 17.029 ( -1.207 -16.428 -5.188) 17.270 17.223 ( -0.263 -4.820 -1.931) 5.199 17.439 ( -1.844 6.597 -1.777) 7.077 17.870 ( -0.225 4.186 -3.287) 5.327 18.176 ( 7.120 6.800 -5.638) 11.345 18.229 ( -2.268 11.912 -5.844) 13.461 18.588 ( -6.731 5.976 -1.716) 9.163 ======================= Grid point 121 (42/155) ======================= q-point: ( 0.50 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -16.884 -7.333 12.781) 22.410 2.176 ( 18.226 4.993 1.427) 18.951 2.554 ( 4.055 -9.871 0.440) 10.681 2.708 ( -6.289 5.297 7.352) 11.030 3.005 ( -3.084 -11.137 -0.139) 11.557 3.521 ( 0.230 9.088 -3.425) 9.715 3.677 ( -5.052 -14.466 -11.933) 19.421 3.706 ( 3.588 -10.528 1.299) 11.198 3.910 ( -2.865 -2.711 -11.396) 12.060 4.111 ( 0.168 3.425 -5.758) 6.702 4.141 ( 0.031 -5.260 -8.939) 10.372 4.755 ( 2.962 -18.123 8.325) 20.162 4.857 ( 6.586 8.183 -6.363) 12.281 5.145 ( 6.080 -3.990 2.866) 7.817 5.446 ( -1.593 0.243 0.981) 1.886 5.716 ( 0.075 10.461 2.269) 10.705 5.798 ( -6.845 3.813 -1.943) 8.073 6.489 ( -1.057 19.309 16.104) 25.165 9.201 ( -23.723 0.568 -0.785) 23.743 9.461 ( 9.988 -5.027 -3.671) 11.770 9.770 ( -4.276 -10.254 8.131) 13.768 10.349 ( 19.384 1.910 2.198) 19.602 10.911 ( -9.594 -0.128 14.898) 17.721 11.166 ( 6.344 6.003 22.675) 24.299 11.628 ( 0.158 -4.473 -8.833) 9.903 12.020 ( -9.908 7.408 -8.291) 14.893 12.282 ( -6.804 6.085 3.963) 9.951 12.569 ( 14.172 -1.849 1.240) 14.346 12.954 ( 3.197 -13.184 2.272) 13.755 13.565 ( 0.314 7.681 -2.887) 8.211 13.682 ( -0.192 -26.457 0.787) 26.469 14.698 ( 3.544 -10.065 7.993) 13.332 14.944 ( -0.652 6.591 7.961) 10.356 15.134 ( -0.652 33.570 4.346) 33.857 16.201 ( -1.162 -37.468 -1.444) 37.514 17.205 ( -1.758 12.713 -2.818) 13.139 17.286 ( -1.893 -9.995 -3.499) 10.758 17.403 ( 0.125 -12.100 -4.274) 12.834 17.708 ( 2.444 12.659 -5.204) 13.903 17.964 ( -1.813 14.227 -6.932) 15.929 18.216 ( 5.570 -3.528 -4.453) 7.956 18.406 ( -4.645 8.075 -2.391) 9.617 ======================= Grid point 122 (43/155) ======================= q-point: (-0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -27.889 1.146 7.389) 28.874 2.120 ( 5.997 12.180 10.855) 17.383 2.608 ( 0.574 -1.309 1.906) 2.383 2.828 ( 11.904 -7.868 3.765) 14.757 3.201 ( -3.291 -12.594 -0.845) 13.044 3.351 ( 5.070 10.561 -1.134) 11.770 3.674 ( -6.816 3.875 -1.507) 7.984 3.888 ( 4.750 -4.083 -3.377) 7.116 4.012 ( -1.709 -4.496 -10.911) 11.924 4.058 ( 0.827 2.660 -8.848) 9.276 4.318 ( -6.549 -14.587 -10.812) 19.302 4.644 ( 10.896 19.883 -13.796) 26.540 4.986 ( -6.172 -4.353 -0.394) 7.563 5.183 ( 2.774 17.618 0.668) 17.847 5.325 ( -5.476 5.186 -5.243) 9.185 5.485 ( 2.669 -13.472 -3.457) 14.163 6.082 ( -1.704 -9.386 20.570) 22.674 6.173 ( 2.690 3.169 18.330) 18.796 9.000 ( -18.441 1.222 1.166) 18.518 9.595 ( -3.828 -6.571 -5.744) 9.530 9.961 ( 12.976 -6.140 9.551) 17.242 10.471 ( 23.037 5.859 0.356) 23.773 10.858 ( -10.159 -3.519 14.439) 18.002 11.131 ( 5.907 3.011 22.558) 23.512 11.742 ( -5.533 5.885 -14.003) 16.165 11.810 ( 0.173 -6.970 -7.952) 10.576 12.122 ( -16.592 0.596 8.909) 18.842 12.666 ( 10.826 3.903 2.882) 11.864 13.169 ( -2.624 19.539 -1.516) 19.772 13.273 ( 2.608 -18.258 -0.488) 18.450 14.400 ( -1.212 40.527 3.010) 40.657 14.443 ( 0.977 -40.161 3.755) 40.349 14.813 ( -1.424 7.874 8.445) 11.634 14.888 ( 2.322 -5.198 9.282) 10.888 16.824 ( -0.291 26.868 -1.082) 26.892 16.832 ( 0.035 -31.016 -3.858) 31.255 17.407 ( -3.031 -6.847 -4.302) 8.636 17.505 ( 1.869 10.103 -4.900) 11.383 17.677 ( -0.816 15.565 -6.833) 17.019 17.704 ( 0.514 -17.013 -5.826) 17.990 18.223 ( -3.061 7.898 -2.668) 8.880 18.370 ( 4.199 -8.106 -4.291) 10.087 ======================= Grid point 123 (44/155) ======================= q-point: (-0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -31.081 5.751 7.322) 32.446 1.883 ( 0.308 15.177 18.690) 24.078 2.699 ( 6.125 -3.400 -5.513) 8.915 3.005 ( 9.110 0.921 1.105) 9.223 3.221 ( 7.694 10.486 -0.292) 13.010 3.382 ( -5.497 -10.240 -1.236) 11.688 3.508 ( -7.137 6.699 1.214) 9.863 3.914 ( 4.272 7.117 -11.559) 14.231 3.973 ( 0.698 4.879 -12.007) 12.979 4.101 ( -0.270 -4.706 -3.645) 5.958 4.149 ( 0.232 19.412 -17.971) 26.455 4.662 ( 1.277 -1.764 3.291) 3.946 4.789 ( -1.815 3.196 3.858) 5.329 4.930 ( -3.260 17.139 6.813) 18.729 5.275 ( -6.760 -8.014 -0.599) 10.502 5.835 ( 3.341 -6.716 3.006) 8.081 5.980 ( 2.862 -7.529 -0.223) 8.057 6.534 ( 1.059 -20.719 13.787) 24.909 8.835 ( -12.415 2.007 3.238) 12.987 9.652 ( -7.007 -5.235 -2.651) 9.139 10.197 ( 18.625 -3.385 6.586) 20.044 10.520 ( 21.353 8.894 1.814) 23.202 10.865 ( -5.103 -3.948 11.341) 13.048 11.154 ( 2.982 -0.489 19.537) 19.770 11.588 ( -4.767 2.334 -10.958) 12.176 11.782 ( -19.653 4.324 1.781) 20.202 12.209 ( -0.374 -18.303 -0.930) 18.330 12.628 ( 6.591 8.056 4.482) 11.333 12.838 ( -2.588 13.709 -0.457) 13.958 13.572 ( 0.632 31.144 1.872) 31.207 13.674 ( -0.623 -7.365 -3.009) 7.980 14.597 ( -1.667 13.076 6.639) 14.759 14.984 ( 1.120 -3.394 7.742) 8.527 15.153 ( 0.343 -34.545 4.567) 34.847 16.230 ( 0.397 36.745 1.593) 36.781 17.292 ( 2.695 -8.187 -6.542) 10.821 17.338 ( 0.857 9.614 -4.348) 10.586 17.407 ( 1.021 4.974 -3.099) 5.949 17.548 ( -6.051 -13.587 -4.762) 15.617 18.013 ( 0.457 -14.456 -4.458) 15.135 18.074 ( -1.510 4.668 -3.774) 6.190 18.572 ( 3.422 -9.914 -4.218) 11.304 ======================= Grid point 124 (45/155) ======================= q-point: (-0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -25.668 7.713 9.634) 28.481 1.592 ( -0.493 16.253 23.289) 28.404 2.741 ( 10.599 15.996 -10.885) 22.061 2.911 ( -6.019 3.367 -7.770) 10.389 2.988 ( 3.459 21.772 0.410) 22.049 3.348 ( -0.980 2.638 2.333) 3.656 3.521 ( 1.173 -4.488 0.899) 4.725 3.641 ( -0.796 13.880 -8.069) 16.075 3.886 ( -1.253 5.313 -11.434) 12.670 4.072 ( 0.524 -5.178 -9.807) 11.103 4.199 ( -0.382 -6.171 -3.693) 7.202 4.414 ( 5.181 22.423 16.851) 28.523 4.539 ( -6.128 14.714 12.632) 20.337 5.022 ( -0.818 -14.899 2.836) 15.189 5.417 ( -2.370 -10.479 -1.670) 10.873 5.804 ( 2.643 3.616 6.555) 7.939 6.348 ( 0.621 -20.211 -14.781) 25.047 6.881 ( 0.779 -15.869 6.880) 17.314 8.713 ( -6.137 2.449 5.261) 8.446 9.676 ( -4.745 -3.123 1.168) 5.799 10.318 ( 12.489 6.258 2.828) 14.252 10.619 ( 22.151 -0.388 3.536) 22.434 10.838 ( -3.235 6.339 9.718) 12.045 11.162 ( -8.600 -2.978 6.782) 11.350 11.487 ( -13.851 -0.976 10.088) 17.163 11.680 ( -1.196 -6.841 -7.852) 10.483 12.452 ( -1.078 2.443 11.747) 12.047 12.494 ( 4.463 11.391 5.442) 13.389 12.706 ( -0.113 6.733 -11.379) 13.222 12.813 ( -2.546 20.984 0.398) 21.142 14.044 ( 0.208 -20.706 -7.438) 22.002 14.302 ( -1.793 17.134 2.774) 17.449 15.015 ( 0.176 0.899 4.828) 4.914 15.530 ( 0.355 37.770 8.762) 38.774 15.722 ( 0.141 -26.524 4.322) 26.874 17.054 ( 0.212 16.320 -6.069) 17.413 17.231 ( 0.103 5.304 -1.539) 5.524 17.512 ( 1.361 -3.636 -3.624) 5.311 17.860 ( -0.810 -18.371 -4.090) 18.838 17.965 ( -2.353 2.375 -2.525) 4.190 18.298 ( 0.804 -13.292 -4.912) 14.193 18.781 ( 2.460 -9.693 -4.099) 10.808 ======================= Grid point 125 (46/155) ======================= q-point: (-0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( 0.000 8.507 12.157) 14.838 1.278 ( 0.000 17.753 25.362) 30.958 2.178 ( 0.000 40.037 7.002) 40.644 2.638 ( 0.000 15.568 -3.787) 16.022 2.942 ( -0.000 -4.141 -12.221) 12.904 3.327 ( 0.000 1.100 -0.368) 1.160 3.374 ( 0.000 12.141 -1.941) 12.295 3.654 ( -0.000 -5.174 5.486) 7.541 3.796 ( 0.000 2.814 -7.691) 8.190 4.005 ( 0.000 22.289 18.974) 29.271 4.200 ( -0.000 -7.325 -9.867) 12.289 4.279 ( 0.000 11.223 11.218) 15.868 4.320 ( -0.000 -5.888 -3.439) 6.819 5.259 ( -0.000 -10.937 6.388) 12.666 5.589 ( -0.000 -8.532 -3.499) 9.221 5.784 ( 0.000 0.143 1.575) 1.582 6.671 ( -0.000 -14.525 -13.768) 20.013 7.123 ( -0.000 -9.860 -0.450) 9.870 8.642 ( 0.000 2.201 7.081) 7.415 9.692 ( -0.000 -1.367 4.151) 4.370 10.252 ( 0.000 6.773 2.571) 7.245 10.524 ( 0.000 17.794 2.818) 18.016 10.864 ( -0.000 -8.490 5.917) 10.348 11.165 ( -0.000 -2.950 -4.000) 4.970 11.504 ( -0.000 -6.147 17.582) 18.625 11.857 ( -0.000 -4.043 -6.301) 7.487 12.086 ( 0.000 22.748 0.598) 22.756 12.270 ( 0.000 12.311 6.495) 13.919 12.315 ( 0.000 11.357 7.890) 13.828 13.111 ( -0.000 -20.321 -12.483) 23.849 13.958 ( 0.000 17.738 0.116) 17.738 14.414 ( -0.000 -18.946 -10.693) 21.755 14.796 ( 0.000 28.081 12.898) 30.902 15.061 ( 0.000 6.877 8.764) 11.140 16.126 ( -0.000 -17.147 2.589) 17.341 16.769 ( 0.000 14.281 -2.990) 14.591 17.151 ( 0.000 3.463 0.471) 3.495 17.571 ( -0.000 -2.466 -3.584) 4.350 17.897 ( 0.000 2.109 -1.986) 2.897 18.174 ( -0.000 -13.806 -3.961) 14.363 18.514 ( -0.000 -9.630 -3.857) 10.374 18.956 ( -0.000 -7.687 -3.992) 8.662 ======================= Grid point 128 (47/155) ======================= q-point: ( 0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 7.251 -0.000 20.737) 21.969 1.122 ( 2.615 -0.000 41.135) 41.218 1.733 ( 37.011 -0.000 10.868) 38.573 2.489 ( -3.249 0.000 18.103) 18.392 2.665 ( -12.052 0.000 13.789) 18.314 3.125 ( 2.917 -0.000 -10.432) 10.833 3.308 ( 1.946 -0.000 -5.650) 5.976 3.427 ( -0.192 0.000 2.577) 2.584 3.727 ( -2.145 0.000 6.669) 7.005 4.007 ( 5.182 -0.000 7.864) 9.418 4.048 ( 4.579 -0.000 6.900) 8.281 4.370 ( 0.897 -0.000 -8.076) 8.126 4.494 ( 1.233 -0.000 -6.033) 6.157 5.555 ( 4.578 -0.000 3.608) 5.829 5.595 ( -7.826 0.000 -4.546) 9.051 5.634 ( -9.612 0.000 -2.701) 9.984 7.064 ( 4.344 -0.000 -7.892) 9.008 7.150 ( -3.905 0.000 -8.505) 9.359 8.961 ( 19.405 -0.000 9.583) 21.642 9.255 ( -23.455 0.000 2.227) 23.561 9.903 ( -32.525 0.000 -2.405) 32.614 10.496 ( 17.233 -0.000 -17.295) 24.415 10.900 ( 11.091 -0.000 -7.498) 13.388 11.378 ( 0.324 -0.000 12.333) 12.337 11.405 ( -9.910 0.000 3.141) 10.395 11.643 ( -0.247 0.000 -1.806) 1.823 12.017 ( 5.176 -0.000 6.467) 8.283 12.259 ( 21.388 -0.000 5.611) 22.112 12.415 ( -3.666 0.000 -18.838) 19.192 13.534 ( 0.029 -0.000 -14.022) 14.022 13.756 ( 2.722 -0.000 19.704) 19.891 14.033 ( -3.741 0.000 36.505) 36.696 14.947 ( -0.058 0.000 1.215) 1.216 15.536 ( 19.996 -0.000 -55.913) 59.381 16.328 ( -0.330 0.000 -10.182) 10.187 16.562 ( 0.723 -0.000 10.090) 10.116 17.087 ( -0.070 0.000 2.544) 2.545 17.618 ( 0.111 -0.000 -2.549) 2.552 17.889 ( 0.016 -0.000 0.613) 0.614 18.485 ( 2.798 -0.000 -4.273) 5.107 18.542 ( -16.421 0.000 22.516) 27.868 18.617 ( -4.176 0.000 -4.177) 5.906 ======================= Grid point 129 (48/155) ======================= q-point: ( 0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 3.709 -19.334 19.439) 27.666 1.277 ( 0.220 -19.363 25.139) 31.732 2.078 ( 28.630 -3.201 3.695) 29.044 2.323 ( -2.341 0.276 6.577) 6.986 2.884 ( -6.581 -17.780 17.401) 25.734 3.096 ( 2.331 4.238 -5.712) 7.485 3.299 ( -1.302 2.307 -4.334) 5.079 3.545 ( 1.974 -12.192 9.295) 15.458 3.727 ( -0.399 -1.975 3.513) 4.050 3.941 ( 4.171 2.987 -0.251) 5.136 4.279 ( 3.895 -7.953 7.113) 11.359 4.330 ( 1.972 1.964 -2.481) 3.729 4.458 ( 0.505 4.452 -4.683) 6.481 5.458 ( -3.268 6.351 -2.865) 7.695 5.523 ( -9.341 1.057 -3.691) 10.099 5.625 ( 0.116 -1.438 1.036) 1.776 6.955 ( 0.407 11.595 -12.247) 16.870 7.144 ( -0.921 1.495 -3.269) 3.710 9.099 ( -8.441 -3.557 2.349) 9.456 9.192 ( 8.363 -5.741 8.951) 13.528 9.603 ( -27.947 2.635 -2.367) 28.170 10.473 ( 14.251 12.626 -10.082) 21.544 11.019 ( 8.703 -6.252 3.557) 11.291 11.223 ( -12.833 4.592 10.008) 16.909 11.511 ( -4.061 -12.400 11.398) 17.326 11.857 ( -1.394 -14.591 0.024) 14.657 12.169 ( 5.912 -7.989 3.599) 10.570 12.246 ( -3.768 10.907 -14.118) 18.234 12.385 ( 19.740 2.584 0.977) 19.932 13.411 ( -0.806 12.853 -12.859) 18.198 13.889 ( 4.880 -11.397 12.805) 17.823 14.239 ( -2.610 -23.305 29.226) 37.471 14.961 ( 0.320 -0.049 -0.067) 0.331 15.316 ( 14.412 31.745 -34.455) 49.016 16.322 ( -0.373 4.303 -5.738) 7.182 16.575 ( 0.259 -3.926 4.962) 6.333 17.101 ( -0.081 -1.638 1.954) 2.551 17.599 ( -0.037 2.206 -2.350) 3.223 17.876 ( -0.045 0.456 -0.297) 0.546 18.462 ( 2.379 4.075 -4.059) 6.224 18.532 ( -4.970 1.969 -2.159) 5.765 18.560 ( -10.318 -6.233 6.753) 13.818 ======================= Grid point 130 (49/155) ======================= q-point: ( 0.40 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -4.567 -11.091 26.892) 29.445 1.780 ( 3.362 -27.579 0.991) 27.801 2.256 ( 3.761 -6.417 -11.423) 13.631 2.539 ( 13.738 -9.404 3.495) 17.011 3.002 ( -3.049 2.690 7.426) 8.466 3.090 ( -0.524 -3.915 -0.723) 4.016 3.257 ( -5.258 -5.497 1.586) 7.771 3.776 ( 1.888 -1.831 -1.192) 2.888 3.913 ( 4.820 -21.467 20.759) 30.249 3.969 ( 2.723 -1.912 -8.760) 9.371 4.175 ( 0.770 7.346 -5.846) 9.420 4.332 ( -0.735 7.225 -4.153) 8.365 4.573 ( 4.760 -12.070 15.690) 20.360 5.303 ( -6.999 4.892 0.046) 8.539 5.442 ( -1.922 2.856 -7.181) 7.963 5.642 ( 0.479 -0.511 1.423) 1.586 6.668 ( -1.639 19.086 -15.041) 24.356 7.041 ( -0.632 9.063 2.516) 9.427 9.073 ( -21.582 -7.964 0.345) 23.007 9.330 ( -12.331 -0.055 -2.602) 12.603 9.470 ( 14.826 -5.034 9.448) 18.287 10.419 ( 13.812 5.593 -2.124) 15.052 10.996 ( -12.986 4.141 12.898) 18.765 11.246 ( 5.984 -5.276 13.671) 15.828 11.692 ( -7.103 -9.101 9.708) 15.084 11.893 ( -5.247 7.169 -9.754) 13.194 12.272 ( -1.451 -23.252 -0.025) 23.297 12.326 ( 10.360 -2.600 9.762) 14.471 12.601 ( 12.492 -7.974 -3.816) 15.303 13.085 ( -1.620 20.158 -11.567) 23.297 14.205 ( 5.764 -15.854 7.195) 18.340 14.678 ( 5.526 25.495 -16.946) 31.107 14.783 ( 0.548 -26.025 10.338) 28.008 15.058 ( 0.868 0.526 5.600) 5.691 16.109 ( -0.452 17.449 1.777) 17.545 16.741 ( -0.831 -13.054 -2.830) 13.383 17.146 ( -0.113 -3.307 0.385) 3.332 17.533 ( -0.636 4.781 -2.090) 5.256 17.879 ( -0.289 -0.549 -1.767) 1.873 18.372 ( -0.071 7.882 -6.368) 10.134 18.400 ( 1.360 7.721 -5.451) 9.548 18.570 ( -7.884 -1.553 2.099) 8.305 ======================= Grid point 131 (50/155) ======================= q-point: ( 0.50 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -11.748 -7.057 20.511) 24.668 2.265 ( 5.901 -20.094 0.824) 20.958 2.394 ( 5.826 -1.791 -10.580) 12.210 2.758 ( 5.466 -1.649 4.489) 7.263 2.846 ( -6.528 1.549 2.164) 7.050 3.228 ( -5.866 -14.863 -9.212) 18.444 3.452 ( 0.512 -15.306 4.269) 15.899 3.765 ( 2.808 5.923 -2.080) 6.877 3.929 ( -1.203 4.819 -9.052) 10.325 4.102 ( 2.020 -2.028 -8.349) 8.826 4.194 ( -0.893 5.847 -3.725) 6.990 4.445 ( 8.683 -21.485 17.181) 28.848 4.828 ( 3.980 -10.562 10.566) 15.460 5.208 ( -7.560 -3.788 8.488) 11.981 5.357 ( 1.634 6.512 -6.894) 9.623 5.667 ( 0.536 -1.852 -0.222) 1.940 6.229 ( -2.764 26.344 -15.842) 30.865 6.804 ( -0.895 15.638 9.382) 18.258 8.977 ( -21.666 -3.075 0.149) 21.884 9.294 ( -11.189 -7.749 -4.433) 14.314 9.746 ( 22.488 -5.001 10.216) 25.201 10.503 ( 14.959 -0.501 0.375) 14.972 10.825 ( -13.921 1.387 11.977) 18.416 11.312 ( 5.632 3.059 22.911) 23.790 11.638 ( -0.456 5.226 -6.549) 8.391 11.837 ( -15.741 -7.047 5.732) 18.174 12.492 ( 9.201 -0.698 0.548) 9.244 12.663 ( 1.002 12.056 -7.796) 14.392 12.788 ( 4.384 -14.123 -0.683) 14.804 12.931 ( 1.464 -28.505 3.708) 28.782 14.114 ( 2.416 31.900 -12.321) 34.282 14.521 ( 4.473 -13.049 8.163) 16.029 15.020 ( 0.622 2.261 7.173) 7.546 15.475 ( -1.273 -38.688 2.893) 38.816 15.696 ( -0.611 26.471 3.450) 26.702 17.007 ( -1.273 -16.194 -4.605) 16.884 17.219 ( -0.178 -4.598 -2.145) 5.077 17.414 ( -1.085 7.171 -1.166) 7.346 17.866 ( -0.241 2.891 -2.961) 4.145 18.178 ( -2.297 11.036 -7.209) 13.381 18.300 ( 5.611 6.279 -6.134) 10.418 18.484 ( -4.824 4.369 -0.640) 6.540 ======================= Grid point 132 (51/155) ======================= q-point: ( 0.60 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -17.749 0.867 13.743) 22.464 2.372 ( 6.133 8.755 3.950) 11.396 2.609 ( -2.584 4.047 6.097) 7.760 2.667 ( 3.174 -17.391 0.583) 17.688 3.009 ( 3.364 -8.639 0.177) 9.272 3.463 ( -4.674 -9.323 -9.743) 14.272 3.658 ( 1.368 2.000 -3.824) 4.527 3.754 ( 1.869 -11.778 1.227) 11.988 3.859 ( -2.740 -2.518 -10.290) 10.942 4.112 ( 0.018 2.698 -6.144) 6.710 4.145 ( 0.305 -0.992 -8.826) 8.886 4.802 ( 2.656 -8.611 4.565) 10.101 4.982 ( 6.145 -3.451 -3.097) 7.698 5.234 ( 4.264 4.640 -0.860) 6.360 5.379 ( -4.295 -11.106 7.028) 13.827 5.651 ( -7.109 21.939 -13.040) 26.493 5.769 ( 2.374 -2.710 8.240) 8.993 6.476 ( -0.454 18.300 16.924) 24.930 8.854 ( -14.624 -1.225 0.785) 14.696 9.371 ( -8.714 -9.381 -4.349) 13.523 10.027 ( 21.618 -4.496 10.043) 24.257 10.674 ( 16.279 -2.462 -0.876) 16.488 10.704 ( -13.977 -1.428 10.870) 17.764 11.274 ( 6.617 5.603 24.231) 25.736 11.611 ( -3.751 -3.272 -8.794) 10.105 11.789 ( -13.089 -2.331 6.441) 14.773 12.210 ( -2.124 18.820 -6.163) 19.917 12.767 ( 7.892 -3.307 -0.718) 8.587 12.999 ( 1.874 -12.294 3.183) 12.837 13.572 ( 0.353 21.865 -5.713) 22.602 13.678 ( -0.195 -38.229 2.685) 38.324 14.753 ( 2.452 -8.756 8.783) 12.642 14.939 ( -0.053 7.899 8.316) 11.470 15.124 ( -0.419 33.161 4.283) 33.439 16.182 ( -0.968 -37.775 -3.259) 37.928 17.182 ( -0.886 12.753 -2.209) 12.974 17.257 ( -1.366 -9.566 -2.865) 10.079 17.405 ( 0.054 -12.684 -4.293) 13.391 17.736 ( 0.897 11.067 -4.710) 12.061 17.937 ( -1.197 13.463 -7.459) 15.438 18.301 ( 3.723 -2.176 -5.525) 7.009 18.342 ( -2.556 7.221 -1.784) 7.865 ======================= Grid point 133 (52/155) ======================= q-point: (-0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -16.044 7.408 11.413) 21.037 2.163 ( 0.537 14.796 14.013) 20.386 2.633 ( 1.232 -5.233 -0.037) 5.376 3.002 ( 6.384 -13.633 1.128) 15.096 3.155 ( -1.929 -6.037 -0.141) 6.339 3.443 ( 5.256 6.702 -1.617) 8.669 3.560 ( -5.982 5.810 -0.537) 8.356 3.951 ( 2.472 -4.790 -5.063) 7.395 3.983 ( -1.505 -4.653 -10.566) 11.643 4.068 ( 0.355 2.246 -7.968) 8.286 4.239 ( -2.343 -13.009 -9.902) 16.516 4.814 ( 7.029 15.463 -8.517) 19.001 4.904 ( -2.489 10.860 -10.711) 15.455 5.150 ( -4.689 8.761 -0.923) 9.979 5.286 ( 0.348 10.304 0.139) 10.311 5.515 ( 0.838 -16.018 -1.988) 16.163 6.064 ( -0.475 -11.763 20.690) 23.805 6.208 ( 1.107 1.818 17.399) 17.528 8.770 ( -7.045 0.166 2.034) 7.335 9.474 ( -4.768 -8.039 -3.189) 9.876 10.286 ( 18.642 -4.715 10.252) 21.791 10.609 ( -12.600 -0.582 7.431) 14.639 10.860 ( 12.411 -3.259 0.267) 12.835 11.255 ( 10.618 4.523 19.124) 22.337 11.534 ( -17.887 1.978 0.639) 18.008 11.805 ( -0.418 2.637 -8.489) 8.899 11.941 ( -3.712 -1.914 2.974) 5.127 12.794 ( 3.772 4.671 1.981) 6.322 13.136 ( -1.093 20.511 -2.263) 20.664 13.306 ( 1.046 -18.395 -0.556) 18.433 14.384 ( -0.500 41.437 2.950) 41.545 14.455 ( 0.352 -40.819 4.143) 41.030 14.797 ( -0.459 8.904 8.187) 12.104 14.919 ( 1.022 -4.459 9.590) 10.625 16.821 ( -0.123 26.148 -0.514) 26.154 16.831 ( -0.054 -33.091 -5.239) 33.503 17.367 ( -1.304 -4.990 -3.545) 6.259 17.526 ( 0.605 10.515 -4.778) 11.566 17.667 ( -0.347 15.107 -7.101) 16.697 17.710 ( 0.161 -17.416 -5.466) 18.254 18.187 ( -1.013 7.534 -2.397) 7.971 18.424 ( 1.706 -7.966 -4.943) 9.529 ======================= Grid point 134 (53/155) ======================= q-point: (-0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 0.000 9.429 11.736) 15.054 1.882 ( 0.000 15.661 19.209) 24.784 2.756 ( -0.000 -6.477 -4.597) 7.942 3.107 ( 0.000 7.939 -4.092) 8.931 3.314 ( -0.000 -13.091 1.130) 13.140 3.332 ( 0.000 12.043 -1.175) 12.100 3.402 ( 0.000 4.388 2.402) 5.003 3.951 ( 0.000 4.096 -11.226) 11.950 3.978 ( 0.000 4.398 -11.076) 11.917 4.099 ( -0.000 -4.658 -3.146) 5.621 4.152 ( 0.000 22.598 -20.100) 30.244 4.716 ( 0.000 10.962 8.600) 13.933 4.725 ( -0.000 -14.436 -2.543) 14.659 4.916 ( 0.000 24.598 8.995) 26.191 5.206 ( -0.000 -9.821 -0.252) 9.825 5.865 ( -0.000 -8.544 1.593) 8.692 6.006 ( -0.000 -6.610 1.119) 6.704 6.544 ( -0.000 -20.873 13.338) 24.771 8.724 ( 0.000 1.594 3.560) 3.900 9.579 ( -0.000 -5.460 -0.979) 5.547 10.481 ( 0.000 4.024 2.318) 4.644 10.534 ( -0.000 -8.218 13.314) 15.646 10.996 ( -0.000 -4.561 2.658) 5.279 11.183 ( 0.000 13.646 1.572) 13.736 11.391 ( -0.000 -1.218 18.823) 18.863 11.649 ( 0.000 4.768 -9.776) 10.877 12.207 ( -0.000 -19.472 -0.035) 19.472 12.689 ( 0.000 8.237 3.900) 9.114 12.813 ( 0.000 13.881 -1.274) 13.939 13.579 ( 0.000 44.866 2.950) 44.963 13.667 ( -0.000 -20.184 -4.100) 20.596 14.583 ( 0.000 13.682 6.476) 15.137 14.995 ( -0.000 -2.770 7.768) 8.247 15.156 ( -0.000 -34.785 4.600) 35.087 16.233 ( 0.000 36.615 2.011) 36.670 17.319 ( 0.000 0.573 -8.943) 8.961 17.346 ( 0.000 6.994 -3.756) 7.939 17.450 ( -0.000 -11.818 -2.906) 12.170 17.455 ( -0.000 -3.336 -3.423) 4.780 18.015 ( -0.000 -11.394 -3.180) 11.829 18.064 ( 0.000 1.412 -4.706) 4.914 18.603 ( -0.000 -10.235 -4.583) 11.214 ======================= Grid point 139 (54/155) ======================= q-point: ( 0.30 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 10.819 -0.000 16.476) 19.711 1.101 ( -3.662 0.000 42.438) 42.596 2.295 ( 19.942 -0.000 4.569) 20.459 2.443 ( -12.800 0.000 14.971) 19.698 2.493 ( 8.698 -0.000 22.424) 24.052 3.179 ( 3.181 -0.000 -4.471) 5.487 3.348 ( 2.572 -0.000 -6.968) 7.427 3.464 ( 4.821 -0.000 1.044) 4.933 3.680 ( -3.193 0.000 4.667) 5.655 4.090 ( 4.167 -0.000 8.371) 9.350 4.123 ( 4.014 -0.000 7.796) 8.769 4.395 ( 1.987 -0.000 -6.564) 6.858 4.509 ( 0.390 -0.000 -5.750) 5.763 5.432 ( -13.199 0.000 -3.076) 13.552 5.457 ( -7.567 0.000 -4.459) 8.783 5.641 ( 4.964 -0.000 -0.765) 5.023 7.077 ( -4.257 0.000 -7.615) 8.724 7.142 ( 4.266 -0.000 -8.115) 9.168 8.885 ( -18.390 0.000 2.529) 18.563 9.330 ( 9.086 -0.000 5.441) 10.591 9.403 ( -10.788 0.000 3.181) 11.247 10.733 ( 10.509 -0.000 -13.451) 17.070 11.018 ( 3.675 -0.000 -5.928) 6.975 11.147 ( -18.403 0.000 9.260) 20.601 11.371 ( -1.205 0.000 17.169) 17.211 11.664 ( 1.784 -0.000 -5.783) 6.052 12.128 ( 6.750 -0.000 3.228) 7.482 12.340 ( -4.416 0.000 -18.384) 18.907 12.591 ( 16.110 -0.000 3.641) 16.516 13.532 ( -0.222 0.000 -13.868) 13.870 13.802 ( 2.496 -0.000 23.388) 23.521 13.975 ( -3.016 0.000 35.647) 35.774 14.947 ( 0.109 -0.000 1.385) 1.389 15.802 ( 10.949 -0.000 -53.377) 54.488 16.322 ( -0.331 0.000 -10.211) 10.216 16.577 ( 0.951 -0.000 7.730) 7.788 17.086 ( -0.070 0.000 2.514) 2.515 17.622 ( 0.369 -0.000 -1.975) 2.009 17.890 ( 0.034 -0.000 0.771) 0.772 18.321 ( -9.167 0.000 20.991) 22.906 18.529 ( 0.044 -0.000 -5.155) 5.156 18.545 ( -1.851 0.000 -5.156) 5.479 ======================= Grid point 140 (55/155) ======================= q-point: ( 0.40 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -0.225 -8.453 28.964) 30.173 1.277 ( 1.762 -24.728 16.028) 29.521 2.156 ( -6.412 2.190 2.756) 7.315 2.594 ( 17.134 -6.288 5.019) 18.929 2.821 ( 0.930 -17.990 21.529) 28.071 3.136 ( 2.234 5.690 -0.936) 6.184 3.268 ( -2.212 8.536 -2.419) 9.144 3.630 ( 7.873 -12.008 6.885) 15.924 3.719 ( -0.443 -5.266 0.279) 5.292 4.002 ( 2.829 3.623 0.306) 4.607 4.326 ( 2.065 2.007 -1.784) 3.388 4.380 ( 3.145 -6.317 6.859) 9.841 4.457 ( -0.562 4.181 -2.689) 5.002 5.279 ( -13.528 3.458 -2.209) 14.136 5.430 ( -3.265 -2.946 -6.116) 7.533 5.668 ( 3.334 1.487 -2.044) 4.184 6.932 ( -2.423 11.031 -10.556) 15.459 7.155 ( 1.645 3.239 -3.914) 5.340 8.785 ( -15.995 -4.552 2.115) 16.764 9.170 ( -19.292 -0.284 -1.829) 19.381 9.600 ( 25.313 -2.548 10.162) 27.395 10.679 ( 9.465 10.559 -9.573) 17.109 10.934 ( -18.871 3.747 11.644) 22.489 11.137 ( 4.056 -9.395 1.231) 10.307 11.434 ( -4.468 -8.007 15.709) 18.189 11.847 ( 0.104 -14.303 0.695) 14.320 12.155 ( -4.253 11.707 -16.745) 20.870 12.289 ( 5.401 -7.459 5.146) 10.549 12.671 ( 12.762 2.487 0.216) 13.004 13.395 ( -0.912 13.580 -12.669) 18.594 13.966 ( 3.851 -13.665 14.892) 20.575 14.194 ( -2.493 -24.206 29.156) 37.976 14.965 ( 0.210 -0.844 0.975) 1.307 15.518 ( 8.614 33.246 -36.267) 49.949 16.316 ( -0.305 4.347 -5.985) 7.403 16.580 ( 0.322 -2.804 3.829) 4.756 17.100 ( -0.066 -1.621 1.929) 2.521 17.601 ( 0.173 2.711 -1.808) 3.263 17.876 ( -0.009 0.585 -0.117) 0.597 18.378 ( -6.639 -8.971 9.922) 14.934 18.465 ( -3.737 3.813 -6.248) 8.219 18.529 ( 2.473 2.923 -4.645) 6.019 ======================= Grid point 141 (56/155) ======================= q-point: ( 0.50 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -6.192 -6.732 28.747) 30.167 1.816 ( 1.772 -28.231 2.128) 28.366 2.243 ( -2.064 -14.508 -12.665) 19.369 2.800 ( 11.073 1.131 0.570) 11.145 2.978 ( 1.011 7.445 9.232) 11.903 3.061 ( -3.510 0.261 0.489) 3.554 3.184 ( -2.183 -11.527 7.527) 13.939 3.800 ( 0.930 -2.740 -2.690) 3.951 4.001 ( 1.325 0.204 -7.534) 7.652 4.035 ( 7.412 -17.912 15.527) 24.836 4.207 ( 3.209 2.084 -1.574) 4.137 4.315 ( -1.127 7.215 -3.899) 8.278 4.638 ( 2.645 -12.303 16.235) 20.541 5.094 ( -13.031 3.421 -0.232) 13.475 5.487 ( 3.867 -1.297 -8.862) 9.756 5.644 ( -0.410 1.800 -1.880) 2.635 6.634 ( -1.834 19.378 -13.106) 23.466 7.040 ( 0.267 10.161 2.051) 10.369 8.742 ( -14.176 -4.539 1.270) 14.939 9.082 ( -10.570 -4.714 -2.821) 11.913 9.881 ( 25.213 -3.665 9.956) 27.354 10.624 ( 7.171 3.444 -1.095) 8.030 10.716 ( -16.619 1.897 8.556) 18.788 11.336 ( 4.111 -5.808 15.260) 16.837 11.549 ( -8.464 -9.583 13.415) 18.531 11.828 ( -2.220 13.821 -12.008) 18.443 12.250 ( -0.964 -26.799 2.020) 26.892 12.455 ( 4.882 -6.137 9.293) 12.159 12.787 ( 7.837 -4.513 -4.244) 9.990 13.057 ( -1.402 21.119 -12.204) 24.432 14.284 ( 3.163 -15.620 9.450) 18.528 14.734 ( 1.217 -19.074 3.512) 19.433 14.807 ( 1.707 14.823 -10.405) 18.191 15.080 ( 1.433 6.553 2.868) 7.295 16.103 ( -0.284 17.590 1.457) 17.652 16.728 ( -0.565 -12.294 -2.893) 12.642 17.145 ( -0.066 -3.265 0.355) 3.285 17.525 ( -0.269 5.441 -1.658) 5.694 17.875 ( -0.134 -0.279 -1.583) 1.613 18.329 ( -2.226 7.522 -7.310) 10.722 18.436 ( -1.375 0.571 -1.558) 2.155 18.485 ( -0.038 2.374 -1.500) 2.809 ======================= Grid point 142 (57/155) ======================= q-point: ( 0.60 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -6.557 -1.860 21.676) 22.722 2.296 ( 0.195 -23.161 0.762) 23.175 2.509 ( 6.339 -4.580 -8.240) 11.360 2.707 ( -6.969 7.842 1.700) 10.629 2.873 ( 3.453 -3.988 -0.309) 5.285 3.166 ( -1.228 -10.304 -2.588) 10.694 3.457 ( 0.068 -16.889 5.025) 17.621 3.803 ( 1.319 3.852 -2.488) 4.772 3.909 ( -0.835 7.408 -8.061) 10.980 4.130 ( 0.975 -1.950 -9.013) 9.273 4.181 ( -0.513 5.302 -4.300) 6.846 4.631 ( 11.072 -20.813 17.436) 29.322 4.873 ( 0.613 -6.015 7.068) 9.301 4.990 ( -11.826 -12.670 12.245) 21.221 5.458 ( 5.462 9.164 -5.159) 11.850 5.645 ( -2.454 -2.710 -7.106) 7.991 6.196 ( -0.952 26.487 -13.100) 29.565 6.795 ( -0.237 16.074 9.439) 18.642 8.712 ( -8.026 -3.149 0.960) 8.675 9.144 ( -4.735 -8.481 -3.733) 10.406 10.155 ( 22.899 -2.780 10.913) 25.518 10.526 ( -18.486 -1.752 11.342) 21.759 10.724 ( 7.106 -3.010 -4.207) 8.789 11.408 ( 5.930 1.748 22.614) 23.443 11.576 ( -11.156 0.765 1.567) 11.291 11.641 ( -1.099 0.441 3.577) 3.768 12.599 ( 3.433 14.556 -7.059) 16.538 12.662 ( -0.748 -2.369 -0.940) 2.656 12.835 ( 0.924 -22.994 -1.749) 23.079 12.966 ( 1.765 -19.889 3.883) 20.342 14.145 ( 0.951 33.989 -13.959) 36.756 14.581 ( 1.947 -11.863 9.856) 15.546 15.029 ( 0.324 2.962 8.063) 8.596 15.458 ( -0.589 -39.518 0.934) 39.534 15.688 ( -0.256 26.990 3.154) 27.174 16.990 ( -0.561 -15.934 -4.227) 16.495 17.217 ( -0.061 -4.481 -2.260) 5.019 17.401 ( -0.353 7.414 -0.864) 7.472 17.863 ( -0.093 2.509 -2.770) 3.738 18.149 ( -0.925 10.576 -7.699) 13.114 18.366 ( 1.831 5.229 -6.492) 8.534 18.428 ( -1.462 3.897 -0.349) 4.176 ======================= Grid point 143 (58/155) ======================= q-point: (-0.30 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.000 5.240 15.670) 16.523 2.426 ( 0.000 12.803 8.802) 15.537 2.579 ( 0.000 0.014 1.525) 1.525 2.691 ( -0.000 -19.638 0.431) 19.643 3.055 ( -0.000 -7.545 0.202) 7.548 3.417 ( -0.000 -13.469 -10.506) 17.082 3.675 ( 0.000 5.751 -1.616) 5.973 3.772 ( -0.000 -11.654 2.028) 11.829 3.830 ( -0.000 -3.307 -11.083) 11.566 4.112 ( 0.000 2.451 -6.244) 6.708 4.148 ( 0.000 0.425 -9.086) 9.096 4.831 ( -0.000 -0.054 1.101) 1.102 5.035 ( -0.000 -15.846 2.707) 16.075 5.290 ( 0.000 11.024 -0.952) 11.065 5.330 ( -0.000 -12.398 3.776) 12.960 5.573 ( 0.000 16.635 -10.645) 19.749 5.793 ( 0.000 1.827 5.726) 6.011 6.472 ( 0.000 17.833 17.204) 24.779 8.723 ( -0.000 -1.793 1.277) 2.202 9.290 ( -0.000 -9.338 -3.861) 10.105 10.328 ( -0.000 -2.096 16.218) 16.353 10.475 ( -0.000 -4.269 3.739) 5.675 10.838 ( -0.000 -4.658 -2.242) 5.169 11.415 ( 0.000 2.538 27.375) 27.493 11.453 ( 0.000 3.069 -5.391) 6.203 11.693 ( -0.000 -5.865 5.381) 7.959 12.193 ( 0.000 21.001 -9.625) 23.101 12.836 ( -0.000 -3.948 -1.253) 4.142 13.016 ( -0.000 -11.638 3.509) 12.155 13.575 ( 0.000 27.770 -7.033) 28.646 13.676 ( -0.000 -43.136 3.567) 43.283 14.776 ( -0.000 -8.153 9.083) 12.205 14.939 ( 0.000 8.342 8.536) 11.936 15.120 ( 0.000 32.975 4.276) 33.251 16.172 ( -0.000 -37.893 -4.060) 38.110 17.175 ( 0.000 12.736 -2.025) 12.896 17.244 ( -0.000 -9.388 -2.577) 9.735 17.405 ( -0.000 -12.821 -4.275) 13.515 17.743 ( 0.000 10.503 -4.516) 11.433 17.926 ( 0.000 13.186 -7.651) 15.244 18.318 ( 0.000 6.388 -1.791) 6.634 18.336 ( -0.000 -1.265 -5.725) 5.863 ======================= Grid point 150 (59/155) ======================= q-point: ( 0.40 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 9.026 -0.000 12.886) 15.733 1.024 ( -4.286 0.000 41.233) 41.456 2.242 ( -9.452 0.000 16.978) 19.432 2.390 ( 0.676 -0.000 21.215) 21.226 2.770 ( 12.727 -0.000 8.415) 15.258 3.231 ( 2.538 -0.000 1.545) 2.972 3.385 ( 1.444 -0.000 -5.652) 5.833 3.600 ( 9.622 -0.000 -2.912) 10.053 3.624 ( -2.846 0.000 1.448) 3.193 4.147 ( 2.224 -0.000 8.659) 8.940 4.188 ( 3.394 -0.000 8.612) 9.256 4.435 ( 2.380 -0.000 -5.459) 5.955 4.505 ( -0.772 0.000 -5.357) 5.412 5.198 ( -12.406 0.000 -3.230) 12.819 5.348 ( -4.592 0.000 -4.522) 6.445 5.716 ( 3.302 -0.000 -4.550) 5.621 7.012 ( -2.897 0.000 -6.665) 7.267 7.203 ( 2.558 -0.000 -8.143) 8.535 8.632 ( -10.192 0.000 2.844) 10.582 9.013 ( -14.825 0.000 -0.889) 14.852 9.797 ( 25.228 -0.000 9.804) 27.067 10.791 ( -21.687 0.000 11.728) 24.655 10.870 ( 5.292 -0.000 -11.240) 12.423 11.060 ( 1.685 -0.000 -4.572) 4.872 11.341 ( -1.978 0.000 18.718) 18.822 11.692 ( 1.245 -0.000 -6.327) 6.448 12.226 ( 3.734 -0.000 -1.643) 4.080 12.277 ( -2.174 0.000 -14.552) 14.714 12.807 ( 8.526 -0.000 2.920) 9.012 13.528 ( -0.264 0.000 -13.835) 13.837 13.843 ( 2.115 -0.000 24.662) 24.753 13.927 ( -2.450 0.000 35.858) 35.942 14.950 ( 0.145 -0.000 1.545) 1.551 15.934 ( 4.595 -0.000 -47.982) 48.202 16.317 ( -0.205 0.000 -10.239) 10.241 16.592 ( 0.707 -0.000 5.565) 5.610 17.085 ( -0.043 0.000 2.492) 2.492 17.629 ( 0.375 -0.000 -1.448) 1.496 17.890 ( 0.030 -0.000 0.924) 0.924 18.210 ( -3.971 0.000 17.979) 18.412 18.472 ( -2.866 0.000 -7.039) 7.600 18.573 ( 1.517 -0.000 -4.895) 5.125 ======================= Grid point 151 (60/155) ======================= q-point: ( 0.50 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -1.994 -3.567 35.373) 35.609 1.333 ( 2.869 -24.626 10.086) 26.766 2.056 ( -3.749 0.461 3.490) 5.143 2.709 ( 0.938 -19.802 20.185) 28.292 2.915 ( 4.829 -6.887 7.294) 11.134 3.172 ( 1.706 7.436 3.026) 8.207 3.228 ( -1.988 12.909 -1.064) 13.104 3.711 ( -0.125 -7.004 -2.350) 7.389 3.781 ( 6.457 -12.034 4.813) 14.480 4.038 ( 1.151 4.345 1.537) 4.750 4.357 ( 1.305 4.063 -2.605) 5.000 4.417 ( 0.536 1.411 -1.276) 1.977 4.450 ( 0.328 -4.226 7.274) 8.419 5.073 ( -7.958 3.480 -2.802) 9.126 5.390 ( -1.153 -6.816 -5.462) 8.810 5.714 ( 1.534 2.741 -5.502) 6.335 6.895 ( -1.315 10.303 -8.794) 13.609 7.180 ( 0.902 4.604 -4.765) 6.688 8.588 ( -6.000 -2.429 2.343) 6.884 8.938 ( -6.881 -2.580 -1.250) 7.454 10.032 ( 21.954 -2.866 8.871) 23.852 10.579 ( -19.585 2.799 13.705) 24.067 10.800 ( 3.770 7.877 -9.950) 13.239 11.183 ( 1.256 -10.625 0.731) 10.724 11.370 ( -2.318 -4.547 17.583) 18.309 11.852 ( 0.280 -14.703 0.764) 14.726 12.098 ( -1.804 13.851 -16.511) 21.627 12.358 ( 2.121 -7.664 5.230) 9.518 12.822 ( 4.386 2.326 0.074) 4.965 13.383 ( -0.408 14.104 -12.601) 18.918 14.018 ( 1.839 -14.386 14.853) 20.759 14.157 ( -1.402 -25.112 30.062) 39.196 14.968 ( 0.101 -1.011 1.284) 1.637 15.616 ( 2.770 32.535 -35.573) 48.286 16.312 ( -0.117 4.379 -6.132) 7.536 16.585 ( 0.154 -2.025 3.028) 3.646 17.099 ( -0.025 -1.611 1.914) 2.502 17.604 ( 0.117 3.044 -1.442) 3.370 17.876 ( 0.004 0.649 0.017) 0.649 18.302 ( -2.171 -9.064 9.959) 13.640 18.418 ( -1.471 3.784 -7.483) 8.514 18.561 ( 0.978 2.426 -5.132) 5.760 ======================= Grid point 152 (61/155) ======================= q-point: ( 0.60 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -0.000 -4.768 29.691) 30.071 1.835 ( -0.000 -26.913 3.882) 27.192 2.222 ( -0.000 -18.280 -14.013) 23.034 2.896 ( 0.000 13.641 -2.332) 13.839 2.995 ( -0.000 -1.226 9.972) 10.047 3.016 ( 0.000 1.160 4.717) 4.857 3.171 ( -0.000 -12.409 8.038) 14.785 3.808 ( -0.000 -3.074 -3.249) 4.473 4.011 ( 0.000 1.110 -8.712) 8.783 4.106 ( -0.000 -8.348 9.521) 12.663 4.261 ( -0.000 -9.589 7.016) 11.882 4.301 ( 0.000 7.300 -4.033) 8.340 4.662 ( -0.000 -12.065 16.171) 20.176 4.953 ( 0.000 5.016 -2.043) 5.416 5.529 ( -0.000 -7.348 -7.020) 10.162 5.635 ( 0.000 6.473 -5.307) 8.371 6.617 ( 0.000 19.299 -11.941) 22.694 7.043 ( 0.000 10.707 1.692) 10.840 8.614 ( -0.000 -3.389 1.456) 3.688 8.989 ( -0.000 -5.928 -2.564) 6.459 10.250 ( -0.000 -6.345 6.409) 9.019 10.389 ( 0.000 4.351 16.459) 17.024 10.730 ( 0.000 1.350 -6.970) 7.099 11.385 ( -0.000 -8.181 14.660) 16.788 11.449 ( -0.000 -5.141 14.847) 15.712 11.809 ( 0.000 14.320 -11.523) 18.380 12.241 ( -0.000 -27.863 3.075) 28.032 12.498 ( -0.000 -7.090 8.977) 11.440 12.857 ( -0.000 -3.771 -4.092) 5.565 13.043 ( 0.000 21.733 -12.584) 25.113 14.312 ( -0.000 -15.176 10.071) 18.214 14.742 ( -0.000 -36.979 12.099) 38.908 14.823 ( 0.000 29.661 -18.165) 34.782 15.095 ( 0.000 9.678 1.273) 9.761 16.100 ( 0.000 17.647 1.332) 17.698 16.723 ( -0.000 -11.954 -2.938) 12.309 17.144 ( -0.000 -3.252 0.344) 3.270 17.523 ( 0.000 5.688 -1.497) 5.882 17.874 ( -0.000 -0.187 -1.499) 1.510 18.309 ( 0.000 7.316 -7.724) 10.639 18.411 ( -0.000 -2.740 1.892) 3.330 18.499 ( 0.000 4.716 -4.912) 6.809 ======================= Grid point 163 (62/155) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 0.000 -0.000 41.213) 41.213 1.070 ( 0.000 -0.000 11.175) 11.175 2.152 ( 0.000 -0.000 18.269) 18.269 2.395 ( 0.000 -0.000 23.817) 23.817 2.875 ( 0.000 -0.000 6.831) 6.831 3.256 ( -0.000 0.000 4.681) 4.681 3.398 ( 0.000 -0.000 -5.176) 5.176 3.596 ( 0.000 -0.000 -0.667) 0.667 3.705 ( 0.000 -0.000 -4.449) 4.449 4.166 ( 0.000 -0.000 8.743) 8.743 4.225 ( 0.000 -0.000 9.117) 9.117 4.465 ( -0.000 0.000 -4.850) 4.850 4.490 ( 0.000 -0.000 -5.390) 5.390 5.071 ( 0.000 -0.000 -3.315) 3.315 5.307 ( 0.000 -0.000 -4.544) 4.544 5.746 ( 0.000 -0.000 -6.101) 6.101 6.985 ( 0.000 -0.000 -6.213) 6.213 7.226 ( 0.000 -0.000 -8.141) 8.141 8.542 ( 0.000 -0.000 2.982) 2.982 8.881 ( 0.000 -0.000 -0.620) 0.620 10.115 ( 0.000 -0.000 7.282) 7.282 10.505 ( -0.000 0.000 14.866) 14.866 10.916 ( 0.000 -0.000 -10.746) 10.746 11.078 ( 0.000 -0.000 -3.904) 3.904 11.319 ( 0.000 -0.000 18.935) 18.935 11.703 ( 0.000 -0.000 -6.408) 6.408 12.240 ( 0.000 -0.000 -19.670) 19.670 12.278 ( 0.000 -0.000 3.254) 3.254 12.882 ( 0.000 -0.000 2.750) 2.750 13.525 ( 0.000 -0.000 -13.851) 13.851 13.870 ( 0.000 -0.000 18.927) 18.927 13.897 ( 0.000 -0.000 42.071) 42.071 14.951 ( -0.000 0.000 1.611) 1.611 15.972 ( 0.000 -0.000 -45.750) 45.750 16.315 ( 0.000 -0.000 -10.250) 10.250 16.599 ( 0.000 -0.000 4.700) 4.700 17.085 ( 0.000 -0.000 2.484) 2.484 17.633 ( 0.000 -0.000 -1.220) 1.220 17.891 ( 0.000 -0.000 0.990) 0.990 18.176 ( 0.000 -0.000 16.785) 16.785 18.446 ( 0.000 -0.000 -7.592) 7.592 18.586 ( 0.000 -0.000 -5.003) 5.003 ======================= Grid point 210 (63/155) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 0.000 0.000 15.100) 15.100 1.021 ( 0.000 0.000 22.259) 22.259 2.340 ( 0.000 0.000 46.354) 46.354 2.623 ( 0.000 0.000 -23.013) 23.013 2.699 ( 0.000 0.000 1.186) 1.186 3.247 ( 0.000 0.000 1.041) 1.041 3.356 ( 0.000 0.000 24.471) 24.471 3.651 ( 0.000 0.000 11.089) 11.089 3.835 ( 0.000 0.000 0.987) 0.987 4.010 ( 0.000 0.000 5.452) 5.452 4.109 ( 0.000 0.000 12.983) 12.983 4.136 ( 0.000 0.000 -9.380) 9.380 4.326 ( 0.000 0.000 -6.638) 6.638 5.606 ( 0.000 0.000 -9.387) 9.387 5.643 ( 0.000 0.000 7.952) 7.952 5.761 ( 0.000 0.000 -1.378) 1.378 6.728 ( 0.000 0.000 -17.882) 17.882 6.943 ( 0.000 0.000 -18.340) 18.340 8.842 ( 0.000 0.000 14.273) 14.273 9.834 ( 0.000 0.000 3.729) 3.729 10.171 ( 0.000 0.000 -1.995) 1.995 10.201 ( 0.000 0.000 6.683) 6.683 10.712 ( 0.000 0.000 -11.025) 11.025 11.069 ( 0.000 0.000 -6.426) 6.426 11.479 ( 0.000 0.000 6.028) 6.028 11.828 ( 0.000 0.000 5.004) 5.004 12.086 ( 0.000 0.000 -13.725) 13.725 12.095 ( 0.000 0.000 17.814) 17.814 12.371 ( 0.000 0.000 26.254) 26.254 13.142 ( 0.000 0.000 -22.643) 22.643 13.987 ( 0.000 0.000 15.883) 15.883 14.460 ( 0.000 0.000 -20.074) 20.074 14.950 ( 0.000 0.000 41.667) 41.667 14.953 ( 0.000 0.000 -1.216) 1.216 16.026 ( 0.000 0.000 -19.952) 19.952 16.854 ( 0.000 0.000 16.571) 16.571 17.166 ( 0.000 0.000 5.006) 5.006 17.524 ( 0.000 0.000 -6.067) 6.067 17.904 ( 0.000 0.000 0.705) 0.705 18.310 ( 0.000 0.000 -7.577) 7.577 18.612 ( 0.000 0.000 -5.830) 5.830 18.978 ( 0.000 0.000 -7.962) 7.962 ======================= Grid point 211 (64/155) ======================= q-point: ( 0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 25.293 -5.036 12.368) 28.602 1.285 ( -0.109 -23.057 17.937) 29.213 2.366 ( -2.340 -4.241 39.472) 39.769 2.599 ( -1.708 3.735 -2.477) 4.796 2.662 ( 5.533 1.624 -9.154) 10.819 3.248 ( -2.675 0.610 5.094) 5.786 3.278 ( 0.161 -2.819 2.130) 3.537 3.803 ( 0.558 3.516 0.670) 3.623 3.864 ( 0.967 8.473 5.745) 10.282 3.958 ( -2.048 -21.741 16.151) 27.161 4.101 ( 0.514 3.142 -6.060) 6.845 4.273 ( 1.091 -0.692 -2.699) 2.993 4.335 ( 3.296 -8.592 7.324) 11.761 5.536 ( -4.717 6.861 -2.412) 8.669 5.599 ( 2.357 3.876 -0.583) 4.573 5.779 ( -2.523 -2.624 1.663) 4.002 6.572 ( 0.781 13.015 -20.686) 24.452 7.022 ( -0.643 -4.606 -13.458) 14.239 8.866 ( 5.788 0.188 13.519) 14.708 9.841 ( 5.603 2.736 2.485) 6.712 10.056 ( -23.555 -8.115 3.403) 25.145 10.400 ( 8.477 -3.783 0.812) 9.318 10.728 ( -12.149 -9.513 -6.170) 16.618 11.180 ( 17.668 -3.019 -8.122) 19.678 11.634 ( 2.089 -14.592 4.119) 15.306 11.972 ( -1.675 -11.509 6.473) 13.310 11.981 ( -1.956 7.469 -8.292) 11.329 12.076 ( 5.608 0.796 15.781) 16.767 12.431 ( -1.263 -5.923 22.135) 22.948 13.053 ( 0.188 9.226 -21.882) 23.748 14.007 ( 2.300 -1.677 17.185) 17.419 14.380 ( 2.232 9.662 -18.883) 21.328 14.922 ( -0.055 -2.628 15.702) 15.921 15.109 ( -0.581 -11.761 22.205) 25.134 16.062 ( -0.143 -2.876 -19.411) 19.624 16.817 ( -0.241 3.264 15.281) 15.627 17.165 ( -0.036 0.068 3.975) 3.976 17.512 ( 0.121 1.394 -5.816) 5.982 17.882 ( 0.046 1.739 0.416) 1.789 18.250 ( 0.955 6.846 -7.687) 10.338 18.548 ( -1.849 5.978 -6.362) 8.923 18.924 ( -3.786 3.738 -7.513) 9.206 ======================= Grid point 212 (65/155) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 31.506 -6.119 10.029) 33.625 1.694 ( -0.460 -20.613 15.396) 25.732 2.386 ( -8.869 -2.131 11.894) 14.988 2.670 ( -2.063 -14.389 14.062) 20.224 2.725 ( 8.411 -1.948 -11.674) 14.520 3.285 ( -4.780 -6.258 -2.132) 8.158 3.354 ( 0.468 -4.889 3.218) 5.872 3.735 ( 3.780 4.662 -1.753) 6.252 3.745 ( 0.318 5.476 1.456) 5.675 3.976 ( -0.120 7.588 -10.118) 12.647 4.204 ( 0.641 5.352 -6.595) 8.517 4.357 ( -2.730 -20.007 19.045) 27.757 4.610 ( 7.214 -12.531 11.615) 18.547 5.296 ( -5.262 13.768 -2.982) 15.038 5.540 ( 3.681 5.465 -2.249) 6.962 5.823 ( -4.649 -6.203 7.119) 10.525 6.310 ( -0.312 15.585 -20.779) 25.975 7.050 ( -0.854 1.078 -5.611) 5.777 8.936 ( 10.900 0.185 11.251) 15.667 9.807 ( 3.145 5.349 -0.283) 6.212 10.050 ( -23.113 -12.623 3.835) 26.614 10.359 ( -20.547 -1.885 -0.498) 20.639 10.976 ( 14.928 -11.665 2.144) 19.066 11.363 ( 17.731 1.144 -3.422) 18.095 11.689 ( -3.945 10.653 -3.446) 11.871 12.004 ( 3.968 -1.552 16.160) 16.712 12.143 ( 1.225 -24.423 5.253) 25.012 12.332 ( 0.673 -13.215 -0.018) 13.233 12.542 ( -1.760 -8.576 16.600) 18.767 12.862 ( 0.063 8.233 -10.561) 13.391 14.107 ( 2.452 0.249 2.590) 3.575 14.185 ( 4.180 5.459 -4.325) 8.122 15.022 ( 0.453 -6.558 6.681) 9.372 15.375 ( -1.718 -18.477 23.682) 30.087 16.050 ( -0.446 6.578 -12.207) 13.873 16.785 ( -0.334 -2.094 6.744) 7.069 17.168 ( -0.084 -0.634 1.394) 1.533 17.471 ( -0.178 3.036 -5.426) 6.220 17.863 ( -0.254 0.187 -1.160) 1.202 18.082 ( 2.964 12.882 -8.189) 15.550 18.371 ( -3.019 10.617 -7.742) 13.482 18.788 ( -4.743 6.758 -7.116) 10.900 ======================= Grid point 213 (66/155) ======================= q-point: ( 0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 30.943 -5.462 8.915) 32.661 2.057 ( 0.669 -18.099 16.846) 24.734 2.354 ( -12.186 -5.531 -1.913) 13.519 2.848 ( 3.224 -7.462 -4.413) 9.250 2.946 ( -3.145 -12.539 1.357) 12.999 3.345 ( -9.072 -6.698 -2.993) 11.667 3.473 ( 3.371 -5.865 4.754) 8.268 3.642 ( 2.210 6.429 -0.866) 6.854 3.726 ( 2.667 0.898 -6.726) 7.291 3.838 ( 0.261 4.959 -11.758) 12.763 4.110 ( 0.663 5.192 -5.532) 7.616 4.664 ( -0.775 -15.231 13.278) 20.221 4.866 ( 3.291 -4.818 7.954) 9.864 4.973 ( 1.077 14.034 -8.698) 16.546 5.464 ( 5.584 7.094 -1.468) 9.147 5.914 ( -3.683 0.041 1.752) 4.079 6.030 ( -5.085 3.986 -2.488) 6.923 6.968 ( -0.855 7.003 2.944) 7.644 9.047 ( 14.743 -0.032 7.719) 16.641 9.698 ( -5.586 5.246 -3.246) 8.322 10.095 ( -22.260 -13.275 3.376) 26.137 10.231 ( -11.507 -0.395 2.967) 11.890 11.220 ( 13.131 0.485 -0.685) 13.158 11.468 ( 0.249 5.974 -0.653) 6.015 11.512 ( 7.251 -1.761 11.702) 13.879 12.038 ( 7.282 3.052 8.001) 11.241 12.312 ( -0.438 7.450 -8.180) 11.072 12.585 ( -5.442 -14.138 9.615) 17.943 12.799 ( 3.180 -15.077 14.350) 21.056 12.984 ( 1.572 -27.216 9.021) 28.715 13.852 ( -0.613 16.553 -9.223) 18.959 14.455 ( 6.094 -16.934 6.618) 19.176 15.124 ( 0.166 -3.505 5.338) 6.388 15.747 ( -2.613 -6.997 9.094) 11.769 15.785 ( -1.129 3.887 5.572) 6.887 16.913 ( -0.045 -11.071 -5.628) 12.420 17.190 ( -0.340 -1.854 -1.779) 2.592 17.397 ( -1.087 4.615 -4.871) 6.797 17.769 ( 1.718 14.901 -6.707) 16.431 17.940 ( 3.353 1.397 -6.821) 7.728 18.122 ( -2.851 12.849 -8.116) 15.462 18.602 ( -4.406 8.857 -6.776) 11.991 ======================= Grid point 214 (67/155) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 26.717 -3.805 8.225) 28.212 2.196 ( -12.012 -2.269 14.634) 19.068 2.508 ( 0.841 -15.429 -0.261) 15.455 2.948 ( -3.317 1.023 3.343) 4.819 3.086 ( -6.463 -10.090 -0.335) 11.987 3.412 ( 3.946 6.838 -4.943) 9.315 3.496 ( -8.590 -12.828 -11.383) 19.181 3.655 ( 4.753 -2.673 -0.288) 5.460 3.721 ( -0.952 -0.513 -10.129) 10.186 3.870 ( 2.496 -5.146 -11.460) 12.808 4.022 ( -0.323 4.641 -4.449) 6.437 4.531 ( 2.009 24.428 -16.499) 29.546 4.933 ( -0.946 -13.905 7.601) 15.875 5.094 ( 5.465 -6.091 3.297) 8.822 5.377 ( 6.427 7.798 -0.858) 10.142 5.634 ( -5.953 14.449 -6.849) 17.062 6.216 ( -3.890 -17.189 19.655) 26.399 6.781 ( -0.465 12.496 11.169) 16.767 9.190 ( 16.934 -0.449 3.529) 17.304 9.532 ( -13.759 3.149 -3.207) 14.474 10.137 ( -19.665 -11.005 3.072) 22.744 10.175 ( 3.062 2.995 4.120) 5.943 11.265 ( 2.748 -0.401 -10.299) 10.667 11.382 ( 4.927 4.900 10.957) 12.974 11.590 ( 3.109 -0.537 14.723) 15.057 11.880 ( -3.596 12.226 -3.911) 13.330 12.384 ( 12.458 -6.233 7.828) 15.979 12.664 ( -8.062 -3.624 11.515) 14.517 13.038 ( 3.279 -9.901 15.043) 18.305 13.530 ( -2.109 12.676 -0.983) 12.888 13.722 ( 1.803 -40.522 4.656) 40.829 14.798 ( 4.374 -13.538 7.342) 16.009 15.133 ( -1.357 3.773 8.128) 9.063 15.246 ( -0.737 31.019 4.093) 31.297 16.255 ( -3.309 -30.061 3.620) 30.459 17.114 ( 0.640 -0.157 -8.966) 8.990 17.206 ( -1.500 -3.412 -5.427) 6.584 17.304 ( -0.529 0.014 -5.203) 5.230 17.495 ( 4.601 14.151 -8.918) 17.347 17.799 ( -2.624 14.752 -13.119) 19.916 18.052 ( 2.770 -4.803 -3.280) 6.442 18.396 ( -3.820 9.394 -6.113) 11.841 ======================= Grid point 215 (68/155) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -20.167 -0.117 8.751) 21.984 2.059 ( 20.167 0.117 8.751) 21.984 2.783 ( 6.568 -9.849 7.213) 13.862 2.783 ( -6.568 9.849 7.213) 13.862 3.235 ( -4.151 -11.357 -2.228) 12.295 3.235 ( 4.151 11.357 -2.228) 12.295 3.692 ( -2.841 -2.834 -8.717) 9.596 3.692 ( 2.842 2.834 -8.717) 9.596 3.830 ( -0.806 -13.131 -8.859) 15.860 3.830 ( 0.806 13.131 -8.859) 15.860 4.120 ( -3.135 -18.608 -17.691) 25.866 4.120 ( 3.135 18.608 -17.691) 25.866 5.142 ( -5.899 -9.462 3.011) 11.549 5.142 ( 5.899 9.462 3.011) 11.549 5.376 ( 5.339 -5.759 -0.356) 7.861 5.376 ( -5.339 5.759 -0.356) 7.861 6.512 ( -1.264 -16.573 17.598) 24.206 6.512 ( 1.264 16.573 17.598) 24.206 9.355 ( -17.011 1.358 -0.467) 17.072 9.355 ( 17.012 -1.358 -0.467) 17.072 10.158 ( -14.008 -7.353 3.547) 16.213 10.158 ( 14.008 7.353 3.547) 16.213 11.323 ( -8.899 -7.434 -2.894) 11.951 11.323 ( 8.899 7.434 -2.894) 11.951 11.668 ( -3.586 -6.311 10.389) 12.674 11.668 ( 3.586 6.311 10.389) 12.674 12.588 ( -10.556 1.635 9.826) 14.514 12.588 ( 10.556 -1.635 9.826) 14.514 13.260 ( 3.089 -11.961 7.102) 14.249 13.260 ( -3.088 11.961 7.102) 14.249 14.513 ( 1.753 -40.513 5.209) 40.884 14.513 ( -1.753 40.513 5.209) 40.884 15.046 ( 2.156 -7.327 9.309) 12.042 15.046 ( -2.156 7.327 9.309) 12.042 16.771 ( -2.197 -27.397 -3.291) 27.681 16.771 ( 2.197 27.397 -3.291) 27.681 17.332 ( -1.900 -6.051 -7.224) 9.613 17.332 ( 1.900 6.051 -7.224) 9.613 17.500 ( 1.704 -14.467 -12.228) 19.019 17.500 ( -1.704 14.467 -12.228) 19.019 18.202 ( 3.261 -8.128 -5.017) 10.093 18.202 ( -3.261 8.128 -5.017) 10.093 ======================= Grid point 222 (69/155) ======================= q-point: ( 0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 36.453 -0.000 8.336) 37.394 1.026 ( 0.950 -0.000 21.815) 21.836 2.311 ( -3.304 0.000 42.022) 42.151 2.670 ( 4.919 -0.000 -20.105) 20.698 2.729 ( 3.694 -0.000 5.062) 6.266 3.242 ( -0.615 0.000 0.949) 1.131 3.294 ( -6.308 0.000 24.076) 24.888 3.624 ( -2.156 0.000 13.552) 13.723 3.839 ( -0.140 0.000 0.643) 0.658 4.062 ( 4.962 -0.000 4.199) 6.500 4.138 ( 2.456 -0.000 2.558) 3.546 4.156 ( 2.898 -0.000 1.888) 3.458 4.334 ( 0.895 -0.000 -6.471) 6.533 5.563 ( -4.804 0.000 -9.485) 10.633 5.640 ( -0.444 0.000 6.646) 6.661 5.717 ( -5.156 0.000 -1.386) 5.339 6.748 ( 2.430 -0.000 -17.473) 17.641 6.928 ( -1.618 0.000 -17.954) 18.027 8.943 ( 11.313 -0.000 14.515) 18.404 9.747 ( -24.525 0.000 4.317) 24.902 9.984 ( 13.743 -0.000 -1.721) 13.850 10.366 ( -28.947 0.000 -6.738) 29.721 10.555 ( 17.991 -0.000 -0.086) 17.991 11.229 ( 9.182 -0.000 -9.538) 13.240 11.529 ( 5.794 -0.000 7.883) 9.784 11.878 ( 0.689 -0.000 8.276) 8.304 12.075 ( -1.395 0.000 -13.611) 13.682 12.130 ( 7.759 -0.000 13.397) 15.482 12.358 ( -1.359 0.000 25.264) 25.300 13.148 ( 0.640 -0.000 -22.174) 22.183 14.019 ( 3.575 -0.000 15.305) 15.717 14.513 ( 5.862 -0.000 -22.943) 23.680 14.937 ( -1.419 0.000 41.691) 41.715 14.953 ( 0.032 -0.000 -1.116) 1.117 16.024 ( -0.221 0.000 -19.958) 19.959 16.849 ( -0.509 0.000 16.393) 16.401 17.166 ( -0.076 0.000 4.987) 4.987 17.527 ( 0.429 -0.000 -5.839) 5.855 17.905 ( 0.145 -0.000 0.788) 0.801 18.323 ( 1.461 -0.000 -7.787) 7.923 18.579 ( -3.755 0.000 -6.469) 7.480 18.901 ( -8.178 0.000 -5.138) 9.658 ======================= Grid point 223 (70/155) ======================= q-point: ( 0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 14.259 -13.599 12.126) 23.136 1.342 ( 22.012 -10.603 12.601) 27.490 2.294 ( -5.203 -1.496 29.832) 30.320 2.594 ( 0.741 6.479 11.418) 13.149 2.787 ( 8.592 0.068 -9.282) 12.649 3.180 ( -4.328 -0.460 3.104) 5.346 3.277 ( -0.389 -3.202 4.315) 5.388 3.794 ( -1.548 -0.821 2.574) 3.113 3.904 ( 0.360 0.150 8.971) 8.980 3.925 ( 1.825 -8.912 12.103) 15.140 4.121 ( 1.733 3.984 -5.560) 7.056 4.293 ( 1.089 2.574 -6.480) 7.057 4.432 ( 6.887 -13.326 10.695) 18.423 5.439 ( -6.067 7.433 -6.303) 11.479 5.610 ( -1.964 1.725 0.354) 2.638 5.699 ( -5.674 -2.840 2.105) 6.685 6.596 ( 1.791 14.041 -20.709) 25.084 7.005 ( -1.030 -4.795 -12.357) 13.294 9.056 ( 15.278 0.561 13.428) 20.348 9.619 ( -24.113 -9.017 4.646) 26.159 9.944 ( -8.302 8.952 -3.804) 12.788 10.196 ( -6.376 -2.121 -1.982) 7.005 10.842 ( 12.867 -13.887 -0.016) 18.931 11.438 ( 9.781 -9.153 -6.701) 14.978 11.700 ( 5.262 -11.480 6.009) 13.986 11.870 ( -7.153 1.603 6.345) 9.695 11.980 ( -1.296 -0.492 -7.417) 7.546 12.246 ( 13.666 -1.010 11.455) 17.861 12.397 ( -2.040 -5.157 20.989) 21.709 13.057 ( 0.145 9.791 -21.039) 23.206 14.081 ( 5.938 -2.832 15.766) 17.084 14.451 ( 5.662 12.243 -23.042) 26.699 14.921 ( -0.019 -3.597 19.396) 19.727 15.091 ( -1.350 -11.066 18.968) 22.001 16.058 ( -0.381 -2.765 -19.420) 19.620 16.808 ( -0.711 3.205 15.007) 15.362 17.164 ( -0.093 0.060 3.963) 3.964 17.517 ( 0.443 1.692 -5.386) 5.663 17.884 ( 0.170 1.833 0.597) 1.935 18.280 ( 2.356 6.234 -8.184) 10.555 18.487 ( -4.985 5.612 -7.543) 10.642 18.808 ( -8.784 1.779 -4.233) 9.912 ======================= Grid point 224 (71/155) ======================= q-point: ( 0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 28.213 -6.346 6.750) 29.695 1.700 ( 2.083 -18.665 14.922) 23.987 2.226 ( -8.604 1.407 11.021) 14.053 2.631 ( -1.626 -9.529 14.058) 17.061 2.874 ( 8.375 -2.182 -7.892) 11.713 3.189 ( -5.757 -2.990 -1.878) 6.754 3.365 ( 0.716 -6.514 6.485) 9.219 3.745 ( -0.282 3.552 -0.392) 3.585 3.809 ( 4.199 4.358 -2.264) 6.462 3.975 ( 0.181 8.484 -9.140) 12.472 4.216 ( 0.717 5.187 -6.296) 8.189 4.336 ( 0.640 -19.853 19.952) 28.153 4.743 ( 7.502 -12.092 11.446) 18.263 5.219 ( -3.080 11.445 -7.499) 14.026 5.559 ( -3.017 1.042 0.588) 3.246 5.722 ( -5.621 -5.715 6.466) 10.299 6.305 ( -0.174 18.279 -21.302) 28.070 7.034 ( -0.825 1.036 -4.810) 4.989 9.177 ( 13.531 0.179 8.683) 16.078 9.631 ( -23.633 -8.951 3.353) 25.493 9.681 ( -16.192 0.491 -0.298) 16.202 10.222 ( 6.698 0.468 1.151) 6.812 11.236 ( 13.440 -13.707 3.538) 19.520 11.531 ( -4.348 1.993 15.460) 16.183 11.619 ( 1.682 10.779 -10.409) 15.079 12.106 ( 6.265 -12.981 -5.052) 15.274 12.131 ( -3.873 -16.754 9.489) 19.640 12.384 ( 7.306 -2.291 10.264) 12.805 12.544 ( 2.371 -13.403 12.338) 18.371 12.851 ( -1.547 8.498 -10.931) 13.931 14.171 ( 4.349 14.572 -13.048) 20.037 14.280 ( 6.689 -6.073 8.178) 12.186 15.037 ( 1.256 -6.535 7.270) 9.856 15.332 ( -3.155 -17.673 22.466) 28.758 16.039 ( -0.734 6.830 -12.211) 14.011 16.776 ( -0.729 -2.390 6.732) 7.181 17.166 ( -0.127 -0.565 1.430) 1.543 17.469 ( -0.080 3.733 -4.782) 6.067 17.860 ( -0.085 0.954 -0.840) 1.274 18.146 ( 4.094 10.846 -9.362) 14.901 18.299 ( -4.939 9.683 -9.106) 14.180 18.681 ( -6.965 4.651 -5.027) 9.768 ======================= Grid point 225 (72/155) ======================= q-point: ( 0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 10.844 -4.997 15.914) 19.895 2.097 ( 8.100 -8.080 11.619) 16.306 2.174 ( -4.490 -13.215 -5.827) 15.125 2.799 ( -3.996 -10.844 3.490) 12.072 2.988 ( 3.622 -0.857 -1.170) 3.902 3.176 ( -9.560 -5.993 -3.962) 11.959 3.527 ( 2.677 -7.796 5.348) 9.826 3.678 ( 1.841 5.492 -1.829) 6.074 3.754 ( 0.552 4.831 -6.578) 8.180 3.862 ( 2.443 1.796 -11.430) 11.825 4.115 ( -0.284 5.698 -5.174) 7.702 4.673 ( 1.911 -14.946 13.102) 19.967 4.898 ( 2.150 8.782 -0.891) 9.086 5.051 ( 5.997 -0.233 -4.333) 7.402 5.516 ( -0.731 2.316 0.747) 2.541 5.849 ( -4.391 -12.445 14.040) 19.268 5.934 ( -4.270 18.197 -14.911) 23.911 6.953 ( -0.733 6.889 3.496) 7.760 9.283 ( 5.424 -2.667 1.966) 6.356 9.403 ( -22.755 1.602 -2.080) 22.906 9.782 ( -5.339 -11.293 8.698) 15.221 10.291 ( 11.762 0.883 1.998) 11.963 11.308 ( -6.488 7.013 -3.742) 10.260 11.479 ( 5.081 0.083 14.612) 15.470 11.619 ( 4.982 -1.865 10.280) 11.575 12.087 ( -2.848 9.690 -9.026) 13.546 12.393 ( 9.075 -3.411 10.638) 14.393 12.506 ( -2.931 -6.115 0.828) 6.831 12.856 ( 3.051 -13.950 13.411) 19.590 13.004 ( 0.998 -30.869 6.626) 31.588 13.845 ( -0.229 18.885 -10.360) 21.542 14.581 ( 8.054 -14.777 8.320) 18.773 15.134 ( 0.991 -2.297 5.469) 6.014 15.688 ( -4.139 -19.778 11.637) 23.318 15.762 ( -1.457 16.863 0.717) 16.941 16.909 ( -0.351 -11.789 -4.896) 12.770 17.183 ( -0.349 -1.363 -1.683) 2.194 17.379 ( -0.849 5.509 -3.945) 6.828 17.791 ( 0.856 9.421 -4.883) 10.646 17.994 ( 0.876 8.955 -12.618) 15.497 18.083 ( 0.156 7.569 -6.886) 10.234 18.517 ( -5.061 7.411 -5.357) 10.452 ======================= Grid point 226 (73/155) ======================= q-point: ( 0.50 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -17.600 1.113 14.518) 22.842 2.224 ( 17.120 -0.784 3.742) 17.542 2.587 ( 7.058 -18.629 2.644) 20.096 2.870 ( -5.170 5.702 7.699) 10.886 3.002 ( -2.880 -10.217 0.157) 10.616 3.342 ( -7.733 -16.587 -12.672) 22.260 3.488 ( 4.328 7.937 -5.023) 10.342 3.698 ( -1.416 -0.093 -8.362) 8.482 3.736 ( 3.970 -3.085 -0.728) 5.080 3.907 ( 1.636 -3.451 -10.610) 11.277 4.007 ( -1.302 4.963 -5.020) 7.178 4.601 ( 5.899 23.411 -19.308) 30.915 4.909 ( -1.557 -10.516 6.009) 12.212 5.192 ( 5.172 -6.530 3.393) 8.994 5.445 ( -1.538 4.854 -1.336) 5.264 5.543 ( -1.577 17.748 -5.990) 18.798 6.148 ( -3.597 -20.395 20.640) 29.239 6.776 ( -0.119 11.682 11.623) 16.480 9.193 ( -21.092 -0.336 0.084) 21.094 9.386 ( 0.146 -5.176 -3.434) 6.213 9.958 ( 5.485 -7.401 9.540) 13.262 10.388 ( 16.452 2.239 1.397) 16.662 11.173 ( -9.411 -0.219 0.071) 9.413 11.495 ( -1.592 -0.277 0.687) 1.756 11.626 ( 6.881 6.709 13.125) 16.267 11.838 ( -0.669 10.723 1.380) 10.833 12.493 ( -9.757 -1.609 15.387) 18.290 12.602 ( 10.096 -6.142 1.953) 11.978 13.095 ( 3.141 -9.827 13.154) 16.717 13.494 ( -1.995 15.379 -1.380) 15.569 13.750 ( 1.386 -42.013 5.136) 42.349 14.885 ( 5.322 -10.009 9.008) 14.479 15.116 ( -0.609 7.570 8.087) 11.095 15.233 ( -0.627 28.463 3.985) 28.748 16.186 ( -4.336 -31.050 0.758) 31.361 17.121 ( 0.215 2.650 -6.121) 6.673 17.184 ( -1.036 -6.719 -5.347) 8.650 17.296 ( -0.318 -1.515 -5.386) 5.604 17.565 ( 3.201 14.164 -8.701) 16.928 17.750 ( -2.819 13.921 -14.060) 19.986 18.108 ( 3.485 -4.510 -5.320) 7.796 18.330 ( -3.524 8.560 -4.987) 10.515 ======================= Grid point 227 (74/155) ======================= q-point: (-0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -23.449 4.883 11.736) 26.673 2.349 ( 12.188 2.020 9.422) 15.537 2.688 ( -4.311 7.736 6.426) 10.942 2.919 ( 8.111 -9.504 4.792) 13.382 3.174 ( -2.576 -10.127 -1.721) 10.590 3.313 ( 4.639 7.989 -2.578) 9.591 3.619 ( -4.792 -2.696 -4.947) 7.397 3.707 ( -0.905 -3.601 -12.993) 13.513 3.832 ( 0.920 -1.205 -7.535) 7.686 3.867 ( 2.839 2.073 -9.216) 9.864 4.030 ( -4.246 -3.924 -13.447) 14.637 4.236 ( 6.765 12.598 -22.318) 26.506 5.031 ( -6.141 -5.325 3.481) 8.843 5.217 ( 0.135 11.574 2.245) 11.791 5.287 ( -1.912 4.109 -0.031) 4.532 5.466 ( 4.187 -8.115 0.399) 9.140 6.479 ( -1.537 -10.744 17.812) 20.858 6.550 ( 1.993 6.981 17.281) 18.744 9.039 ( -16.620 -0.721 2.606) 16.839 9.484 ( -3.484 -7.006 -5.227) 9.409 10.144 ( 13.622 -3.651 8.114) 16.271 10.483 ( 20.634 5.229 0.631) 21.296 11.128 ( -13.006 -4.288 4.749) 14.495 11.412 ( -2.571 5.303 -16.955) 17.950 11.562 ( -1.203 1.896 11.062) 11.287 11.793 ( 7.128 -1.719 15.660) 17.291 12.366 ( -13.409 3.695 14.258) 19.918 12.760 ( 7.789 -1.171 5.790) 9.775 13.207 ( -2.751 12.330 8.107) 15.011 13.309 ( 2.331 -11.589 6.293) 13.392 14.485 ( -1.374 40.460 5.038) 40.796 14.543 ( 1.544 -40.238 5.547) 40.647 15.002 ( -1.933 8.269 8.742) 12.187 15.100 ( 3.058 -3.918 10.082) 11.241 16.727 ( -2.604 -29.858 -5.992) 30.565 16.800 ( 1.202 25.125 -1.113) 25.178 17.297 ( -1.706 -3.529 -5.925) 7.104 17.368 ( 1.752 6.291 -7.986) 10.317 17.471 ( -1.540 13.695 -13.173) 19.065 17.527 ( 1.251 -15.316 -11.354) 19.106 18.152 ( -2.318 7.783 -4.012) 9.057 18.258 ( 2.945 -8.317 -6.248) 10.811 ======================= Grid point 228 (75/155) ======================= q-point: (-0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -24.419 7.113 12.543) 28.358 2.312 ( 2.113 9.968 21.148) 23.474 2.566 ( 5.606 5.157 -7.155) 10.450 2.984 ( 1.018 9.270 -3.386) 9.922 3.211 ( 7.264 9.505 -0.578) 11.977 3.353 ( -2.570 -11.871 -1.492) 12.238 3.534 ( -4.976 4.116 0.942) 6.526 3.662 ( 5.863 9.177 -10.881) 15.394 3.735 ( 0.731 1.545 -10.584) 10.721 3.825 ( -2.447 6.927 -12.516) 14.513 4.020 ( -0.346 -4.176 -4.468) 6.126 4.525 ( 0.823 -25.266 -15.486) 29.646 4.922 ( -2.500 9.471 7.390) 12.271 5.038 ( -0.244 11.703 4.698) 12.613 5.262 ( -6.099 -7.120 -0.759) 9.406 5.718 ( 3.437 -13.733 -6.170) 15.443 6.273 ( 2.444 14.518 18.536) 23.672 6.790 ( 0.459 -12.985 10.842) 16.922 8.928 ( -11.436 -0.509 5.633) 12.758 9.582 ( -4.110 -7.288 -4.215) 9.368 10.318 ( 17.058 -0.049 5.204) 17.834 10.552 ( 23.601 7.814 1.100) 24.885 11.076 ( -13.049 -2.779 2.475) 13.569 11.360 ( -5.786 -2.629 -7.790) 10.054 11.492 ( -4.841 3.442 7.114) 9.268 11.931 ( 1.705 -5.110 13.250) 14.303 12.200 ( -7.368 -0.557 4.179) 8.488 12.776 ( 4.603 4.756 9.774) 11.804 12.989 ( -2.117 9.752 17.142) 19.835 13.565 ( 1.750 -11.789 -1.425) 12.003 13.689 ( -1.795 40.771 4.927) 41.107 14.739 ( -2.284 16.280 6.366) 17.629 15.158 ( 1.252 -0.846 8.170) 8.309 15.256 ( 0.434 -32.843 4.311) 33.128 16.298 ( 1.692 29.382 5.488) 29.938 17.101 ( -0.668 1.396 -11.388) 11.493 17.235 ( 1.696 2.124 -5.264) 5.924 17.315 ( 0.872 -3.610 -5.714) 6.815 17.413 ( -4.519 -11.899 -8.091) 15.082 17.836 ( 1.515 -15.067 -12.521) 19.649 18.016 ( -1.324 4.366 -1.904) 4.944 18.453 ( 2.499 -10.060 -7.140) 12.587 ======================= Grid point 229 (76/155) ======================= q-point: (-0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -18.126 8.590 14.322) 24.646 2.054 ( 0.036 17.790 18.398) 25.593 2.553 ( 10.262 5.190 -6.884) 13.403 2.730 ( -8.277 9.138 -6.360) 13.873 3.029 ( 3.533 17.618 4.349) 18.488 3.419 ( -2.067 2.511 4.396) 5.468 3.480 ( 5.660 8.933 -3.938) 11.285 3.600 ( -2.614 -7.815 0.761) 8.276 3.678 ( -2.014 1.750 -8.255) 8.676 3.842 ( 0.352 -6.578 -10.957) 12.785 4.099 ( -0.462 -5.075 -5.757) 7.688 4.700 ( 3.335 13.378 11.520) 17.967 4.780 ( -5.279 12.927 10.084) 17.224 5.003 ( 2.332 -21.815 -6.347) 22.839 5.369 ( -3.956 -8.305 -3.107) 9.710 5.963 ( 1.599 -3.132 -2.126) 4.109 6.092 ( 1.834 -0.288 1.479) 2.374 6.979 ( 0.395 -7.150 2.579) 7.611 8.859 ( -5.821 -0.235 8.716) 10.483 9.677 ( -2.781 -6.148 -1.609) 6.937 10.393 ( 12.801 6.458 4.466) 15.017 10.650 ( 25.563 5.169 0.398) 26.084 10.992 ( -9.714 3.631 1.346) 10.458 11.199 ( -21.466 3.455 -1.850) 21.821 11.526 ( 1.160 -8.464 -2.437) 8.884 11.947 ( -2.415 -0.944 27.455) 27.577 12.330 ( 0.685 -9.570 -19.482) 21.717 12.678 ( 4.480 12.134 12.098) 17.710 12.750 ( -2.465 18.356 13.264) 22.781 12.953 ( -1.425 25.561 12.322) 28.412 13.862 ( 0.412 -15.721 -8.926) 18.083 14.379 ( -2.340 18.879 5.887) 19.914 15.124 ( 0.076 4.272 5.279) 6.791 15.778 ( 0.961 -15.691 1.690) 15.811 15.798 ( 0.347 18.904 14.180) 23.633 16.912 ( -0.039 10.594 -6.073) 12.212 17.194 ( 0.143 2.209 -1.818) 2.864 17.413 ( 0.601 -3.563 -5.695) 6.745 17.739 ( -1.225 -20.049 -7.809) 21.552 17.902 ( -1.027 2.448 -4.082) 4.869 18.158 ( 1.149 -14.078 -7.855) 16.162 18.658 ( 1.756 -9.860 -7.763) 12.672 ======================= Grid point 230 (77/155) ======================= q-point: (-0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 0.000 8.886 15.292) 17.686 1.700 ( 0.000 20.534 16.748) 26.498 2.497 ( 0.000 6.236 17.533) 18.608 2.616 ( -0.000 -0.030 -18.537) 18.537 2.692 ( 0.000 15.483 12.972) 20.199 3.333 ( 0.000 7.519 -2.457) 7.910 3.350 ( 0.000 4.249 1.951) 4.675 3.695 ( -0.000 -4.722 -2.070) 5.156 3.742 ( -0.000 -6.686 2.894) 7.286 3.977 ( -0.000 -7.104 -10.539) 12.710 4.197 ( -0.000 -5.501 -6.684) 8.656 4.399 ( 0.000 20.968 18.803) 28.164 4.528 ( 0.000 11.658 11.497) 16.374 5.363 ( -0.000 -15.084 1.996) 15.216 5.486 ( -0.000 -6.277 -6.445) 8.997 5.865 ( 0.000 6.027 6.821) 9.102 6.314 ( -0.000 -14.381 -20.255) 24.841 7.058 ( -0.000 -1.187 -5.998) 6.114 8.837 ( -0.000 -0.178 11.459) 11.460 9.758 ( -0.000 -4.125 1.180) 4.290 10.336 ( 0.000 6.323 5.740) 8.540 10.555 ( 0.000 18.162 0.947) 18.186 10.894 ( 0.000 0.080 -3.199) 3.200 11.075 ( -0.000 -0.358 -4.915) 4.928 11.720 ( -0.000 -9.818 -7.005) 12.061 11.975 ( -0.000 -3.237 26.581) 26.778 12.129 ( 0.000 27.434 2.554) 27.552 12.326 ( 0.000 16.929 -2.380) 17.095 12.566 ( 0.000 7.522 17.253) 18.821 12.859 ( -0.000 -8.827 -10.717) 13.885 14.088 ( 0.000 9.898 13.767) 16.956 14.145 ( -0.000 -14.387 -14.242) 20.243 15.019 ( 0.000 6.596 6.490) 9.253 15.390 ( 0.000 18.702 24.060) 30.474 16.054 ( -0.000 -6.486 -12.209) 13.825 16.788 ( 0.000 1.970 6.732) 7.014 17.169 ( 0.000 0.665 1.381) 1.532 17.473 ( -0.000 -2.750 -5.689) 6.319 17.866 ( 0.000 0.374 -1.264) 1.318 18.054 ( -0.000 -13.993 -7.746) 15.994 18.398 ( -0.000 -10.940 -7.229) 13.113 18.831 ( -0.000 -7.709 -8.064) 11.156 ======================= Grid point 233 (78/155) ======================= q-point: ( 0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 4.507 -0.000 20.920) 21.400 1.579 ( 30.403 -0.000 9.045) 31.720 2.250 ( -1.525 0.000 30.074) 30.113 2.762 ( 4.220 -0.000 -10.394) 11.218 2.835 ( 8.466 -0.000 12.887) 15.419 3.180 ( -5.232 0.000 20.917) 21.561 3.223 ( -1.603 0.000 0.467) 1.670 3.604 ( 0.247 -0.000 16.336) 16.338 3.816 ( -2.621 0.000 0.406) 2.652 4.155 ( 5.411 -0.000 3.329) 6.353 4.180 ( 2.813 -0.000 -7.636) 8.138 4.236 ( 5.233 -0.000 12.079) 13.163 4.356 ( 1.590 -0.000 -4.960) 5.209 5.451 ( -7.586 0.000 -9.450) 12.118 5.582 ( -10.208 0.000 -1.654) 10.341 5.627 ( -0.959 0.000 2.841) 2.999 6.809 ( 4.323 -0.000 -17.041) 17.581 6.890 ( -2.614 0.000 -16.854) 17.055 9.221 ( 19.863 -0.000 14.975) 24.875 9.321 ( -23.366 0.000 4.183) 23.737 9.837 ( -30.235 0.000 -3.902) 30.485 10.267 ( 16.675 -0.000 -5.842) 17.669 10.795 ( 9.575 -0.000 -3.057) 10.051 11.333 ( 3.258 -0.000 -8.294) 8.911 11.671 ( 9.664 -0.000 13.598) 16.682 11.775 ( -10.279 0.000 12.527) 16.204 12.032 ( -3.772 0.000 -14.469) 14.952 12.334 ( -0.871 0.000 22.662) 22.679 12.380 ( 17.484 -0.000 5.685) 18.385 13.160 ( 0.562 -0.000 -21.256) 21.263 14.099 ( 5.150 -0.000 15.112) 15.965 14.650 ( 9.317 -0.000 -29.759) 31.183 14.905 ( -2.124 0.000 41.531) 41.585 14.955 ( 0.233 -0.000 -0.832) 0.864 16.019 ( -0.367 0.000 -19.980) 19.983 16.837 ( -0.930 0.000 15.792) 15.819 17.164 ( -0.118 0.000 4.942) 4.943 17.539 ( 0.948 -0.000 -5.193) 5.279 17.909 ( 0.297 -0.000 1.034) 1.076 18.356 ( 2.168 -0.000 -8.327) 8.605 18.488 ( -6.367 0.000 -8.256) 10.426 18.727 ( -10.838 0.000 -0.130) 10.838 ======================= Grid point 234 (79/155) ======================= q-point: ( 0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 4.642 -19.490 16.186) 25.756 1.800 ( 15.612 -1.475 17.991) 23.866 2.252 ( 3.917 3.387 13.103) 14.089 2.615 ( 2.061 7.399 18.965) 20.461 2.947 ( 9.251 0.892 -3.109) 9.800 3.127 ( -0.964 -0.774 -0.782) 1.462 3.264 ( -1.020 -4.217 7.319) 8.509 3.759 ( -2.503 -1.162 1.549) 3.165 3.886 ( -0.009 -15.220 16.449) 22.410 4.006 ( 5.275 6.620 5.078) 9.871 4.160 ( 2.669 4.529 -3.641) 6.395 4.310 ( 0.733 3.305 -7.157) 7.918 4.551 ( 6.430 -15.030 11.751) 20.133 5.336 ( -5.494 5.132 -8.852) 11.614 5.480 ( -11.903 -0.203 -0.157) 11.906 5.637 ( -2.205 -1.700 -0.025) 2.784 6.625 ( 1.233 15.134 -20.101) 25.191 6.995 ( -0.026 -4.693 -11.232) 12.173 9.159 ( -17.856 -3.209 3.582) 18.492 9.427 ( 10.042 -2.385 11.262) 15.276 9.559 ( -17.823 1.905 0.104) 17.925 10.352 ( 13.053 3.848 -2.706) 13.875 11.020 ( 7.402 -15.772 -1.254) 17.468 11.472 ( -6.696 -4.519 8.131) 11.462 11.765 ( -1.767 -13.725 1.070) 13.879 11.818 ( 6.012 0.287 3.895) 7.169 11.919 ( -5.651 -0.650 -4.445) 7.219 12.385 ( 1.237 -5.859 16.829) 17.863 12.511 ( 15.365 2.105 7.602) 17.271 13.055 ( -0.434 10.933 -20.246) 23.013 14.196 ( 6.627 -5.358 15.560) 17.741 14.563 ( 6.753 16.346 -29.472) 34.372 14.922 ( 0.005 -5.656 27.305) 27.884 15.069 ( -0.989 -9.232 11.270) 14.602 16.050 ( -0.481 -2.587 -19.447) 19.624 16.793 ( -1.046 3.151 14.381) 14.759 17.162 ( -0.112 0.049 3.946) 3.948 17.528 ( 0.862 2.221 -4.611) 5.190 17.888 ( 0.332 1.938 0.961) 2.188 18.324 ( 2.083 5.419 -9.042) 10.745 18.385 ( -6.021 4.869 -9.584) 12.321 18.646 ( -9.030 -0.415 -0.806) 9.075 ======================= Grid point 235 (80/155) ======================= q-point: ( 0.40 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 2.572 -18.551 15.656) 24.410 1.917 ( -0.187 -5.111 17.345) 18.083 2.183 ( 4.912 2.766 3.127) 6.446 2.661 ( 6.553 -3.647 9.039) 11.746 3.003 ( 5.549 -1.504 -3.518) 6.740 3.103 ( -3.103 3.172 -0.450) 4.460 3.376 ( 0.573 -8.462 9.717) 12.898 3.733 ( -0.996 0.782 -3.385) 3.614 3.870 ( 2.487 5.244 -1.475) 5.988 3.988 ( 1.402 8.765 -8.505) 12.293 4.222 ( -0.274 5.926 -6.225) 8.598 4.389 ( 5.749 -19.866 20.345) 29.011 4.860 ( 5.713 -11.007 11.711) 17.057 5.201 ( 1.245 6.764 -11.221) 13.161 5.409 ( -12.897 -4.968 5.739) 14.965 5.649 ( -4.001 -2.874 0.106) 4.927 6.307 ( 0.389 19.998 -19.947) 28.248 7.024 ( -0.238 1.394 -4.170) 4.403 9.091 ( -20.033 -6.053 1.367) 20.972 9.267 ( -18.098 1.227 -2.979) 18.382 9.721 ( 20.454 -4.779 13.957) 25.219 10.409 ( 11.990 1.146 0.733) 12.067 11.330 ( -13.450 3.798 12.638) 18.843 11.438 ( 7.708 -16.857 7.760) 20.094 11.638 ( -2.261 8.923 -7.704) 12.004 12.035 ( -5.405 -8.339 17.575) 20.190 12.194 ( 4.070 -21.985 -7.397) 23.550 12.572 ( 12.016 2.344 7.137) 14.171 12.608 ( 4.279 -13.739 9.288) 17.127 12.809 ( -3.038 10.263 -11.582) 15.770 14.238 ( 3.077 22.129 -21.270) 30.847 14.416 ( 8.591 -11.163 13.101) 19.237 15.065 ( 1.901 -6.958 8.658) 11.269 15.268 ( -4.039 -15.823 20.012) 25.830 16.026 ( -0.750 7.168 -12.234) 14.199 16.760 ( -0.981 -2.697 6.617) 7.213 17.164 ( -0.115 -0.503 1.481) 1.569 17.470 ( 0.184 4.588 -3.982) 6.078 17.861 ( 0.205 1.439 -0.292) 1.482 18.182 ( -3.220 9.369 -12.021) 15.577 18.241 ( 1.504 7.996 -9.783) 12.724 18.563 ( -6.149 2.686 -3.093) 7.388 ======================= Grid point 236 (81/155) ======================= q-point: ( 0.50 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -11.600 1.973 21.893) 24.855 2.206 ( 5.573 -18.661 -1.847) 19.563 2.323 ( 7.847 -9.975 2.046) 12.856 2.782 ( 0.732 -7.219 1.212) 7.357 2.963 ( -4.963 7.241 5.992) 10.629 3.105 ( 1.901 -5.527 -3.438) 6.781 3.564 ( 1.538 -8.900 5.409) 10.527 3.705 ( 1.295 3.775 -3.153) 5.087 3.755 ( -0.268 5.856 -7.000) 9.130 3.911 ( 2.815 1.414 -9.789) 10.284 4.099 ( -1.379 6.204 -5.046) 8.115 4.733 ( 4.972 -10.729 9.510) 15.175 4.959 ( 4.505 6.532 -1.116) 8.013 5.145 ( 4.129 0.338 -7.855) 8.881 5.444 ( -5.978 -3.934 5.050) 8.759 5.720 ( -9.354 -11.896 9.668) 17.958 5.932 ( 2.440 18.240 -10.921) 21.399 6.944 ( -0.348 6.889 4.021) 7.984 8.986 ( -19.974 -2.508 0.701) 20.143 9.201 ( -11.026 -6.716 -4.226) 13.585 9.991 ( 21.991 -4.136 12.782) 25.770 10.522 ( 13.283 -1.247 1.472) 13.422 11.118 ( -14.065 4.030 9.420) 17.401 11.464 ( -6.175 3.776 -3.542) 8.058 11.759 ( 9.599 -5.067 17.327) 20.446 12.020 ( -3.323 6.379 4.451) 8.458 12.413 ( -3.898 2.654 0.018) 4.716 12.594 ( 8.265 -2.082 -0.475) 8.537 12.894 ( 1.351 -17.498 11.955) 21.235 13.030 ( 2.098 -30.329 6.056) 30.999 13.842 ( -0.081 21.580 -12.075) 24.729 14.722 ( 7.605 -12.886 10.691) 18.390 15.158 ( 1.744 -1.053 5.785) 6.133 15.607 ( -4.954 -24.638 10.240) 27.137 15.738 ( -1.157 21.721 -1.067) 21.778 16.901 ( -0.529 -12.455 -4.121) 13.130 17.178 ( -0.222 -0.981 -1.556) 1.853 17.368 ( -0.461 6.127 -3.219) 6.936 17.802 ( 0.476 6.966 -3.633) 7.871 17.957 ( -3.293 11.570 -14.305) 18.691 18.135 ( 3.811 4.565 -9.086) 10.859 18.437 ( -3.768 6.167 -4.156) 8.337 ======================= Grid point 237 (82/155) ======================= q-point: ( 0.60 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -14.364 6.986 16.908) 23.260 2.453 ( 10.269 -2.115 3.913) 11.191 2.674 ( 1.069 -18.300 0.048) 18.332 2.776 ( -5.738 5.180 8.977) 11.847 3.006 ( 3.108 -12.882 -0.688) 13.270 3.245 ( -3.151 -11.621 -8.269) 14.606 3.560 ( 3.855 5.791 -5.887) 9.113 3.667 ( -2.208 2.066 -7.832) 8.395 3.792 ( 2.351 -5.637 0.760) 6.155 3.928 ( 0.876 -0.891 -10.255) 10.330 3.981 ( -1.545 5.172 -6.263) 8.269 4.721 ( 6.975 22.672 -22.730) 32.853 4.882 ( -1.440 -4.750 3.162) 5.886 5.262 ( 2.554 -7.581 4.336) 9.099 5.342 ( -6.834 7.036 -4.014) 10.598 5.571 ( 2.002 12.648 -0.560) 12.818 6.099 ( -1.829 -21.997 20.546) 30.155 6.776 ( 0.105 10.859 12.015) 16.196 8.880 ( -13.338 -2.114 1.773) 13.620 9.269 ( -8.020 -9.153 -5.284) 13.267 10.248 ( 21.959 -2.872 10.617) 24.559 10.672 ( 14.798 -1.306 0.698) 14.872 10.962 ( -14.765 -0.655 8.387) 16.994 11.356 ( -10.435 0.468 -8.514) 13.476 11.782 ( 5.683 14.028 -4.044) 15.666 11.873 ( 6.957 1.762 22.926) 24.023 12.298 ( -11.798 1.823 16.017) 19.977 12.749 ( 5.983 -5.857 -0.824) 8.413 13.141 ( 1.907 -9.592 11.993) 15.475 13.464 ( -1.334 17.609 -1.958) 17.767 13.769 ( 0.814 -43.152 5.714) 43.536 14.968 ( 3.715 -6.686 10.820) 13.250 15.112 ( 0.089 12.251 7.962) 14.612 15.226 ( -0.125 24.683 4.340) 25.062 16.114 ( -3.494 -32.223 -2.321) 32.495 17.123 ( -0.022 5.275 -4.095) 6.678 17.170 ( -0.560 -9.289 -4.940) 10.536 17.293 ( -0.126 -2.634 -5.711) 6.290 17.605 ( 1.515 13.443 -8.053) 15.743 17.707 ( -1.860 13.049 -14.991) 19.961 18.163 ( 2.445 -3.912 -7.131) 8.493 18.280 ( -2.015 7.875 -4.206) 9.152 ======================= Grid point 238 (83/155) ======================= q-point: (-0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -11.679 9.501 16.126) 22.062 2.493 ( 4.590 6.617 15.102) 17.115 2.628 ( -2.402 1.787 0.665) 3.067 3.024 ( 3.009 -15.020 0.963) 15.349 3.152 ( -0.083 -1.249 -0.011) 1.252 3.387 ( 3.310 1.319 -3.628) 5.085 3.543 ( -3.319 2.442 -1.952) 4.560 3.687 ( -0.788 -7.666 -14.051) 16.026 3.844 ( 0.391 4.260 -7.996) 9.068 3.918 ( 2.887 -3.044 -9.891) 10.744 3.969 ( -3.001 -3.408 -10.259) 11.219 4.332 ( 3.393 16.679 -25.933) 31.020 4.948 ( -2.765 -3.375 4.183) 6.044 5.162 ( -2.809 4.334 1.012) 5.263 5.309 ( 1.386 11.444 1.702) 11.652 5.516 ( 1.510 -9.441 1.001) 9.613 6.461 ( -0.513 -12.111 17.886) 21.607 6.576 ( 0.805 6.039 17.035) 18.091 8.830 ( -6.452 -1.633 3.715) 7.622 9.388 ( -4.042 -9.309 -5.084) 11.351 10.471 ( 19.821 -1.054 7.365) 21.172 10.771 ( 1.876 1.558 4.743) 5.333 10.911 ( -3.246 -4.862 3.584) 6.858 11.258 ( -10.430 -0.048 -12.243) 16.083 11.601 ( 2.142 8.785 -4.681) 10.182 11.928 ( 8.390 0.446 24.295) 25.707 12.141 ( -11.488 2.605 15.382) 19.374 12.853 ( 2.761 -0.415 3.312) 4.332 13.172 ( -1.144 12.624 9.022) 15.559 13.337 ( 0.849 -11.472 5.812) 12.888 14.468 ( -0.513 41.246 5.010) 41.552 14.563 ( 0.622 -41.066 5.851) 41.485 14.980 ( -0.653 9.927 8.443) 13.048 15.142 ( 1.368 -2.531 10.733) 11.112 16.690 ( -1.253 -31.445 -7.940) 32.456 16.813 ( 0.359 23.853 0.003) 23.856 17.276 ( -0.608 -2.741 -4.876) 5.626 17.390 ( 0.666 6.959 -8.152) 10.739 17.451 ( -0.650 13.313 -13.876) 19.241 17.542 ( 0.451 -15.877 -10.828) 19.223 18.124 ( -0.808 7.497 -3.519) 8.321 18.296 ( 1.192 -8.361 -7.101) 11.034 ======================= Grid point 239 (84/155) ======================= q-point: (-0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 0.000 9.746 16.376) 19.057 2.325 ( 0.000 11.966 21.672) 24.756 2.624 ( -0.000 -0.010 -8.274) 8.274 2.991 ( 0.000 16.456 -6.402) 17.658 3.298 ( 0.000 9.769 -1.678) 9.912 3.327 ( -0.000 -13.420 -0.068) 13.420 3.467 ( 0.000 1.078 3.463) 3.627 3.721 ( 0.000 3.438 -9.820) 10.404 3.745 ( 0.000 5.530 -10.456) 11.829 3.798 ( 0.000 9.768 -14.221) 17.252 4.016 ( -0.000 -3.848 -4.619) 6.012 4.537 ( -0.000 -26.057 -15.875) 30.512 4.889 ( 0.000 7.171 7.750) 10.558 5.050 ( 0.000 15.485 5.218) 16.340 5.198 ( -0.000 -7.481 -0.474) 7.496 5.748 ( -0.000 -13.631 -5.933) 14.866 6.295 ( 0.000 13.545 18.075) 22.587 6.794 ( -0.000 -13.132 10.729) 16.958 8.825 ( -0.000 -0.799 6.116) 6.168 9.532 ( -0.000 -8.102 -3.662) 8.891 10.553 ( 0.000 4.082 4.660) 6.195 10.754 ( -0.000 -2.381 5.012) 5.549 11.007 ( -0.000 -3.313 -1.025) 3.468 11.176 ( 0.000 4.761 -3.844) 6.119 11.472 ( 0.000 4.098 -4.939) 6.418 11.942 ( 0.000 1.398 31.214) 31.245 12.139 ( -0.000 -8.308 -6.473) 10.532 12.817 ( 0.000 4.927 8.928) 10.197 12.969 ( 0.000 9.629 18.195) 20.586 13.583 ( -0.000 -14.592 -2.477) 14.801 13.670 ( 0.000 44.112 5.879) 44.502 14.719 ( 0.000 17.334 6.062) 18.363 15.170 ( 0.000 0.487 8.201) 8.215 15.260 ( -0.000 -33.729 4.408) 34.016 16.313 ( 0.000 29.132 6.125) 29.769 17.095 ( 0.000 1.535 -12.337) 12.432 17.254 ( 0.000 3.977 -4.893) 6.306 17.335 ( -0.000 -15.320 -8.069) 17.315 17.357 ( -0.000 -2.669 -5.791) 6.377 17.849 ( -0.000 -15.016 -12.338) 19.435 18.005 ( 0.000 3.948 -1.445) 4.204 18.476 ( -0.000 -10.314 -7.557) 12.786 ======================= Grid point 244 (85/155) ======================= q-point: ( 0.30 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 7.556 -0.000 19.644) 21.047 1.853 ( 0.879 -0.000 28.577) 28.591 2.394 ( 17.793 -0.000 6.026) 18.786 2.762 ( -4.374 0.000 9.978) 10.895 3.010 ( 10.343 -0.000 21.087) 23.487 3.170 ( 4.502 -0.000 8.602) 9.709 3.191 ( -1.490 0.000 -4.935) 5.155 3.640 ( 4.171 -0.000 18.379) 18.847 3.749 ( -5.035 0.000 0.520) 5.061 4.236 ( 3.435 -0.000 -7.103) 7.890 4.243 ( 4.621 -0.000 3.268) 5.660 4.314 ( 3.218 -0.000 5.250) 6.158 4.391 ( 2.479 -0.000 2.776) 3.722 5.315 ( -7.654 0.000 -9.185) 11.956 5.370 ( -13.662 0.000 -2.392) 13.870 5.606 ( -1.432 0.000 -2.818) 3.161 6.843 ( -2.637 0.000 -15.254) 15.481 6.887 ( 4.280 -0.000 -16.860) 17.395 8.955 ( -18.180 0.000 4.111) 18.639 9.334 ( -23.775 0.000 -1.842) 23.846 9.629 ( 23.441 -0.000 14.874) 27.762 10.528 ( 12.875 -0.000 -5.777) 14.112 10.908 ( 4.207 -0.000 -4.153) 5.911 11.328 ( -5.814 0.000 2.396) 6.288 11.591 ( -8.199 0.000 4.380) 9.296 11.812 ( 4.089 -0.000 22.560) 22.928 11.955 ( -3.326 0.000 -15.560) 15.911 12.344 ( 2.073 -0.000 16.817) 16.944 12.667 ( 14.568 -0.000 3.095) 14.893 13.165 ( 0.020 -0.000 -20.579) 20.579 14.183 ( 4.191 -0.000 16.134) 16.670 14.813 ( 8.329 -0.000 -28.343) 29.542 14.871 ( -1.232 0.000 33.642) 33.665 14.961 ( 0.451 -0.000 -0.430) 0.623 16.012 ( -0.380 0.000 -20.021) 20.024 16.819 ( -1.067 0.000 14.739) 14.778 17.162 ( -0.110 0.000 4.899) 4.901 17.560 ( 1.393 -0.000 -4.195) 4.420 17.915 ( 0.423 -0.000 1.468) 1.528 18.363 ( -6.108 0.000 -10.788) 12.397 18.399 ( 1.123 -0.000 -9.057) 9.127 18.552 ( -8.686 0.000 3.072) 9.213 ======================= Grid point 245 (86/155) ======================= q-point: ( 0.40 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 6.007 -17.069 15.866) 24.066 1.844 ( -4.152 -1.222 29.774) 30.087 2.367 ( 2.530 14.112 13.517) 19.704 2.722 ( 10.974 -1.282 9.000) 14.250 3.071 ( 3.028 3.984 -0.370) 5.018 3.168 ( 5.953 0.939 0.035) 6.026 3.250 ( 0.041 -4.049 10.053) 10.838 3.703 ( -3.863 -1.373 -1.637) 4.415 3.920 ( 3.695 -13.029 16.052) 21.002 4.101 ( 5.607 4.958 5.379) 9.217 4.213 ( 3.542 3.296 -0.099) 4.839 4.314 ( -0.277 3.991 -7.122) 8.168 4.647 ( 4.408 -15.948 12.808) 20.924 5.239 ( -14.981 -0.100 -1.044) 15.018 5.259 ( -3.060 0.435 -9.952) 10.421 5.595 ( -2.617 -0.251 -5.125) 5.760 6.636 ( 0.117 14.894 -18.304) 23.598 7.004 ( 0.947 -3.673 -10.979) 11.616 8.842 ( -15.658 -3.150 3.292) 16.307 9.127 ( -18.445 1.110 -2.225) 18.612 9.863 ( 24.656 -2.288 14.648) 28.771 10.559 ( 10.164 4.751 -2.104) 11.416 11.111 ( 3.455 -17.446 -2.022) 17.900 11.252 ( -16.472 0.868 17.203) 23.833 11.764 ( -0.194 -14.296 -5.233) 15.225 11.790 ( -6.530 -1.240 -10.762) 12.649 11.918 ( 3.851 -1.098 20.229) 20.622 12.435 ( 3.770 -7.608 10.672) 13.638 12.747 ( 11.088 3.555 5.117) 12.718 13.043 ( -0.864 12.321 -19.974) 23.484 14.295 ( 4.443 -7.857 15.846) 18.237 14.672 ( 5.460 18.627 -32.344) 37.721 14.917 ( -0.645 -7.384 35.668) 36.430 15.063 ( 0.408 -6.623 1.323) 6.766 16.042 ( -0.398 -2.411 -19.490) 19.643 16.774 ( -0.991 3.159 13.487) 13.887 17.160 ( -0.088 0.041 3.935) 3.937 17.546 ( 1.062 2.863 -3.602) 4.722 17.895 ( 0.463 1.981 1.581) 2.577 18.264 ( -5.837 4.510 -12.538) 14.546 18.372 ( 1.715 4.192 -9.314) 10.357 18.512 ( -5.978 -1.795 0.924) 6.310 ======================= Grid point 246 (87/155) ======================= q-point: ( 0.50 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -3.818 -4.866 25.944) 26.671 1.910 ( 2.919 -14.495 9.041) 17.332 2.213 ( -1.602 -1.034 9.293) 9.486 2.802 ( 5.726 4.239 -0.001) 7.124 3.037 ( 1.370 0.902 -1.977) 2.569 3.129 ( 3.547 5.252 5.471) 8.373 3.383 ( 0.156 -9.745 11.606) 15.155 3.714 ( -1.007 -1.645 -5.912) 6.218 3.896 ( 0.698 6.726 -1.411) 6.908 4.021 ( 2.045 8.283 -7.771) 11.541 4.208 ( -1.139 6.439 -5.874) 8.790 4.541 ( 11.429 -19.546 19.483) 29.870 4.934 ( 2.382 -8.648 10.358) 13.702 5.154 ( -15.197 -8.083 8.625) 19.253 5.258 ( 4.669 0.148 -11.947) 12.828 5.561 ( -5.818 0.039 -5.783) 8.203 6.317 ( 0.577 19.703 -17.431) 26.313 7.024 ( 0.126 1.973 -3.894) 4.368 8.777 ( -13.620 -3.366 2.058) 14.180 9.015 ( -10.252 -3.092 -3.381) 11.229 10.129 ( 23.701 -3.401 13.241) 27.361 10.598 ( 8.887 -0.252 1.109) 8.959 11.047 ( -17.819 3.497 17.859) 25.470 11.535 ( -0.949 -4.307 -5.136) 6.770 11.561 ( -1.231 -8.430 0.182) 8.521 11.975 ( -1.619 -2.935 24.992) 25.215 12.255 ( 2.820 -26.269 -3.675) 26.674 12.673 ( 2.985 -9.676 3.821) 10.823 12.734 ( 1.897 12.389 -6.043) 13.914 12.771 ( 2.723 2.335 -0.361) 3.605 14.275 ( 1.264 22.975 -22.201) 31.974 14.557 ( 6.777 -10.986 11.852) 17.524 15.097 ( 1.638 -9.620 13.318) 16.510 15.198 ( -3.661 -11.510 14.368) 18.770 16.015 ( -0.471 7.464 -12.263) 14.363 16.744 ( -0.743 -2.898 6.432) 7.094 17.162 ( -0.065 -0.471 1.526) 1.599 17.474 ( 0.274 5.356 -3.222) 6.257 17.866 ( 0.373 1.716 0.601) 1.856 18.106 ( -3.803 7.958 -14.323) 16.821 18.285 ( 2.093 6.842 -10.658) 12.837 18.479 ( -3.350 1.568 -2.059) 4.233 ======================= Grid point 247 (88/155) ======================= q-point: ( 0.60 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -5.288 5.866 23.118) 24.430 2.306 ( 4.297 -21.225 0.441) 21.660 2.377 ( 0.934 -14.761 -0.461) 14.798 2.713 ( -5.571 2.810 0.621) 6.270 2.974 ( 2.809 5.660 6.854) 9.322 3.145 ( 1.733 -2.561 0.406) 3.119 3.581 ( 0.432 -9.620 5.404) 11.042 3.723 ( 0.616 0.750 -4.670) 4.770 3.749 ( -0.315 7.668 -6.445) 10.022 3.951 ( 1.456 1.744 -8.510) 8.808 4.075 ( -1.047 6.475 -5.371) 8.477 4.830 ( 4.859 -1.840 2.310) 5.686 5.021 ( 1.460 -2.347 6.779) 7.321 5.172 ( -0.712 0.063 -10.983) 11.006 5.383 ( 0.150 0.545 0.347) 0.663 5.566 ( -6.825 -14.910 11.238) 19.879 5.971 ( 1.391 15.480 -7.965) 17.465 6.940 ( -0.076 6.935 4.338) 8.180 8.739 ( -7.482 -3.001 1.716) 8.242 9.053 ( -4.722 -7.568 -4.678) 10.072 10.389 ( 20.960 -3.309 10.877) 23.845 10.712 ( 6.962 -3.945 1.996) 8.247 10.836 ( -17.051 2.328 15.683) 23.284 11.341 ( -5.522 6.214 -10.090) 13.073 11.903 ( 6.113 -8.570 20.182) 22.762 11.977 ( -2.176 1.537 15.461) 15.689 12.348 ( -2.600 15.409 -8.789) 17.929 12.690 ( 2.601 -5.851 -2.227) 6.779 12.909 ( 0.462 -20.741 11.919) 23.926 13.065 ( 1.349 -26.633 5.659) 27.261 13.841 ( -0.070 23.269 -13.359) 26.831 14.823 ( 3.367 -11.323 12.714) 17.355 15.188 ( 1.232 0.078 6.527) 6.643 15.533 ( -2.800 -26.699 7.578) 27.895 15.724 ( -0.433 23.004 -1.548) 23.060 16.894 ( -0.261 -12.850 -3.609) 13.350 17.176 ( -0.070 -0.803 -1.462) 1.669 17.363 ( -0.135 6.500 -2.793) 7.076 17.808 ( 0.257 6.278 -2.618) 6.807 17.911 ( -1.540 10.628 -15.511) 18.866 18.184 ( 1.536 4.460 -10.524) 11.533 18.392 ( -1.350 5.507 -3.547) 6.688 ======================= Grid point 248 (89/155) ======================= q-point: (-0.30 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.000 9.974 18.927) 21.395 2.601 ( -0.000 -2.323 -0.291) 2.341 2.621 ( -0.000 -0.590 8.612) 8.632 2.714 ( -0.000 -15.809 2.421) 15.993 3.044 ( -0.000 -13.708 -1.174) 13.759 3.224 ( -0.000 -7.367 -5.073) 8.945 3.618 ( 0.000 4.200 -4.903) 6.456 3.624 ( 0.000 3.815 -8.633) 9.438 3.813 ( -0.000 -7.289 1.774) 7.501 3.937 ( 0.000 1.085 -10.443) 10.499 3.963 ( 0.000 5.027 -7.045) 8.655 4.798 ( 0.000 23.990 -26.178) 35.508 4.865 ( -0.000 -2.753 2.357) 3.624 5.262 ( 0.000 7.089 -1.832) 7.322 5.291 ( -0.000 -9.047 4.394) 10.057 5.589 ( 0.000 10.702 0.817) 10.733 6.084 ( -0.000 -22.036 20.109) 29.833 6.777 ( 0.000 10.507 12.167) 16.076 8.760 ( -0.000 -2.683 2.346) 3.564 9.193 ( -0.000 -9.506 -5.301) 10.885 10.579 ( -0.000 -2.636 5.988) 6.543 10.692 ( 0.000 0.282 15.651) 15.654 10.842 ( -0.000 -5.358 1.650) 5.607 11.232 ( 0.000 2.675 -12.567) 12.849 11.813 ( 0.000 12.252 -3.462) 12.732 12.021 ( 0.000 0.436 28.516) 28.519 12.128 ( 0.000 5.271 11.542) 12.689 12.802 ( -0.000 -5.659 -1.978) 5.995 13.158 ( -0.000 -9.471 11.612) 14.984 13.452 ( 0.000 18.490 -2.213) 18.622 13.776 ( -0.000 -43.524 5.961) 43.931 15.001 ( -0.000 -5.207 11.545) 12.665 15.114 ( 0.000 15.194 7.849) 17.102 15.226 ( 0.000 22.102 4.840) 22.626 16.081 ( -0.000 -32.882 -3.818) 33.103 17.122 ( 0.000 6.217 -3.418) 7.094 17.165 ( -0.000 -10.123 -4.674) 11.150 17.292 ( -0.000 -3.083 -5.847) 6.610 17.619 ( 0.000 13.112 -7.700) 15.205 17.690 ( 0.000 12.661 -15.436) 19.964 18.185 ( -0.000 -3.642 -7.822) 8.629 18.263 ( 0.000 7.602 -3.950) 8.567 ======================= Grid point 255 (90/155) ======================= q-point: ( 0.40 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 6.234 -0.000 17.986) 19.036 1.797 ( -4.094 0.000 33.159) 33.410 2.662 ( -5.498 0.000 21.293) 21.992 2.690 ( 13.667 -0.000 6.155) 14.989 3.080 ( -2.604 0.000 14.965) 15.190 3.239 ( 5.998 -0.000 -4.117) 7.275 3.292 ( 8.080 -0.000 5.121) 9.566 3.645 ( -6.555 0.000 -0.135) 6.556 3.753 ( 8.000 -0.000 20.331) 21.849 4.294 ( 2.972 -0.000 -6.210) 6.884 4.316 ( 3.641 -0.000 3.161) 4.821 4.344 ( 0.435 -0.000 -3.523) 3.549 4.435 ( 2.144 -0.000 12.063) 12.252 5.120 ( -12.968 0.000 -3.814) 13.518 5.211 ( -4.662 0.000 -8.629) 9.808 5.581 ( -1.264 0.000 -8.438) 8.532 6.804 ( -1.639 0.000 -13.713) 13.810 6.949 ( 2.588 -0.000 -16.771) 16.970 8.706 ( -10.007 0.000 4.072) 10.803 8.992 ( -14.054 0.000 -1.099) 14.097 10.051 ( 22.937 -0.000 13.978) 26.861 10.704 ( 7.008 -0.000 -3.937) 8.038 10.963 ( 2.393 -0.000 -4.321) 4.939 11.110 ( -16.329 0.000 17.942) 24.260 11.533 ( -0.342 0.000 -8.076) 8.083 11.769 ( -5.366 0.000 4.928) 7.286 11.970 ( 2.364 -0.000 8.684) 9.000 12.392 ( 2.791 -0.000 11.184) 11.527 12.868 ( 8.140 -0.000 2.300) 8.459 13.161 ( -0.376 0.000 -20.512) 20.515 14.238 ( 2.072 -0.000 17.094) 17.220 14.841 ( -0.821 0.000 46.371) 46.378 14.946 ( 5.164 -0.000 -44.142) 44.443 14.969 ( 0.384 -0.000 -0.061) 0.389 16.007 ( -0.241 0.000 -20.065) 20.066 16.802 ( -0.730 0.000 13.599) 13.619 17.160 ( -0.064 0.000 4.874) 4.874 17.584 ( 1.215 -0.000 -3.026) 3.261 17.923 ( 0.418 -0.000 2.163) 2.203 18.257 ( -4.875 0.000 -13.809) 14.644 18.425 ( 1.174 -0.000 -9.432) 9.504 18.435 ( -4.555 0.000 4.302) 6.265 ======================= Grid point 256 (91/155) ======================= q-point: ( 0.50 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 2.774 -14.809 15.675) 21.742 1.779 ( -2.171 -1.702 30.092) 30.218 2.353 ( -1.594 16.229 22.849) 28.072 2.916 ( 9.610 -3.234 2.307) 10.399 3.047 ( -4.920 1.627 -0.932) 5.265 3.258 ( 2.144 -1.387 10.244) 10.558 3.284 ( 3.238 6.055 6.106) 9.189 3.640 ( -2.565 -4.313 -4.720) 6.889 3.982 ( 2.246 -4.526 11.447) 12.512 4.188 ( 3.207 5.606 0.654) 6.492 4.288 ( 4.038 -4.372 8.737) 10.572 4.303 ( -0.345 2.858 -4.388) 5.248 4.700 ( 1.565 -16.261 13.452) 21.162 5.005 ( -9.464 1.841 -3.217) 10.164 5.229 ( -0.664 -4.318 -10.061) 10.969 5.556 ( -1.442 1.773 -9.682) 9.948 6.634 ( -0.122 14.101 -16.632) 21.805 7.019 ( 0.560 -2.636 -11.183) 11.503 8.649 ( -5.881 -1.183 3.404) 6.898 8.906 ( -6.520 -0.964 -1.718) 6.811 10.255 ( 17.063 -2.798 11.943) 21.014 10.690 ( 4.364 4.004 -0.818) 5.979 10.955 ( -14.380 2.376 21.580) 26.041 11.154 ( 1.194 -18.368 -2.117) 18.528 11.672 ( -4.012 6.833 -7.116) 10.650 11.786 ( 0.584 -23.478 -7.171) 24.555 11.960 ( 1.130 1.249 22.564) 22.627 12.489 ( 1.879 -8.363 8.105) 11.796 12.881 ( 4.054 4.055 4.170) 7.090 13.029 ( -0.531 13.263 -20.255) 24.216 14.346 ( 1.431 -8.906 15.236) 17.706 14.743 ( 2.340 18.079 -31.935) 36.772 14.902 ( -0.736 -7.327 39.506) 40.187 15.075 ( 0.557 -5.002 -3.884) 6.357 16.037 ( -0.154 -2.303 -19.525) 19.661 16.761 ( -0.415 3.201 12.779) 13.180 17.159 ( -0.033 0.039 3.931) 3.931 17.561 ( 0.534 3.367 -2.728) 4.366 17.902 ( 0.293 1.958 2.426) 3.131 18.187 ( -2.538 3.980 -15.038) 15.761 18.389 ( 0.142 3.073 -7.418) 8.031 18.447 ( -1.526 -1.749 -0.612) 2.401 ======================= Grid point 257 (92/155) ======================= q-point: ( 0.60 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -0.000 -0.269 27.595) 27.596 1.953 ( -0.000 -18.903 7.864) 20.473 2.186 ( -0.000 -0.979 11.434) 11.476 2.838 ( 0.000 10.083 -3.412) 10.645 3.065 ( -0.000 -1.040 0.139) 1.049 3.163 ( 0.000 5.994 7.765) 9.809 3.384 ( -0.000 -10.034 12.106) 15.724 3.704 ( -0.000 -2.724 -7.034) 7.543 3.901 ( 0.000 7.380 -1.649) 7.562 4.043 ( 0.000 8.088 -7.270) 10.875 4.195 ( 0.000 6.594 -5.854) 8.817 4.713 ( -0.000 -24.404 23.275) 33.724 4.902 ( 0.000 3.356 -2.579) 4.233 5.000 ( -0.000 -15.519 18.135) 23.868 5.321 ( -0.000 -5.148 -12.140) 13.186 5.488 ( 0.000 4.469 -8.745) 9.821 6.322 ( 0.000 19.211 -16.263) 25.170 7.026 ( 0.000 2.258 -3.841) 4.456 8.654 ( -0.000 -2.452 2.345) 3.392 8.924 ( -0.000 -4.092 -3.422) 5.334 10.417 ( -0.000 -4.999 9.163) 10.438 10.686 ( -0.000 -1.313 1.797) 2.226 10.811 ( 0.000 4.583 22.448) 22.911 11.479 ( 0.000 10.464 -11.448) 15.510 11.585 ( -0.000 -24.663 5.752) 25.325 11.963 ( -0.000 -0.814 26.731) 26.744 12.282 ( -0.000 -28.870 -1.496) 28.909 12.706 ( 0.000 20.255 -18.572) 27.481 12.712 ( -0.000 -12.630 8.865) 15.431 12.825 ( 0.000 1.126 4.198) 4.346 14.286 ( 0.000 22.901 -22.137) 31.851 14.622 ( -0.000 -10.793 10.938) 15.366 15.115 ( -0.000 -16.701 24.367) 29.541 15.160 ( -0.000 -3.635 3.058) 4.750 16.011 ( 0.000 7.583 -12.275) 14.429 16.738 ( -0.000 -2.964 6.337) 6.996 17.162 ( -0.000 -0.464 1.545) 1.613 17.477 ( 0.000 5.687 -2.874) 6.372 17.870 ( 0.000 1.805 1.320) 2.236 18.070 ( 0.000 7.483 -15.703) 17.395 18.303 ( 0.000 6.240 -10.770) 12.447 18.450 ( 0.000 1.304 -1.910) 2.313 ======================= Grid point 268 (93/155) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 0.000 -0.000 17.058) 17.058 1.757 ( 0.000 -0.000 33.686) 33.686 2.609 ( 0.000 -0.000 24.148) 24.148 2.826 ( 0.000 -0.000 13.419) 13.419 3.033 ( -0.000 0.000 3.693) 3.693 3.295 ( -0.000 0.000 0.096) 0.096 3.391 ( -0.000 0.000 8.451) 8.451 3.561 ( 0.000 -0.000 -3.271) 3.271 3.843 ( 0.000 -0.000 20.802) 20.802 4.332 ( -0.000 0.000 -4.066) 4.066 4.336 ( 0.000 -0.000 -7.173) 7.173 4.355 ( 0.000 -0.000 3.086) 3.086 4.455 ( 0.000 -0.000 14.235) 14.235 4.986 ( 0.000 -0.000 -4.592) 4.592 5.170 ( 0.000 -0.000 -8.705) 8.705 5.569 ( 0.000 -0.000 -10.905) 10.905 6.789 ( 0.000 -0.000 -13.057) 13.057 6.972 ( 0.000 -0.000 -16.744) 16.744 8.617 ( 0.000 -0.000 4.069) 4.069 8.867 ( 0.000 -0.000 -0.691) 0.691 10.307 ( 0.000 -0.000 10.711) 10.711 10.765 ( 0.000 -0.000 -2.963) 2.963 10.910 ( -0.000 0.000 23.457) 23.457 10.987 ( 0.000 -0.000 -4.245) 4.245 11.533 ( 0.000 -0.000 -9.645) 9.645 11.713 ( 0.000 -0.000 0.858) 0.858 11.991 ( 0.000 -0.000 14.605) 14.605 12.420 ( 0.000 -0.000 9.420) 9.420 12.941 ( 0.000 -0.000 2.452) 2.452 13.157 ( 0.000 -0.000 -20.876) 20.876 14.256 ( 0.000 -0.000 17.404) 17.404 14.834 ( 0.000 -0.000 46.693) 46.693 14.973 ( -0.000 0.000 0.091) 0.091 14.992 ( 0.000 -0.000 -45.136) 45.136 16.004 ( 0.000 -0.000 -20.084) 20.084 16.795 ( 0.000 -0.000 13.088) 13.088 17.160 ( 0.000 -0.000 4.866) 4.866 17.596 ( -0.000 0.000 -2.411) 2.411 17.927 ( 0.000 -0.000 2.692) 2.692 18.212 ( 0.000 -0.000 -15.365) 15.365 18.395 ( 0.000 -0.000 4.573) 4.573 18.436 ( 0.000 -0.000 -9.619) 9.619 ======================= Grid point 315 (94/155) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 0.000 0.000 17.491) 17.491 1.454 ( 0.000 0.000 20.355) 20.355 2.144 ( 0.000 0.000 -23.469) 23.469 2.521 ( 0.000 0.000 -11.160) 11.160 3.131 ( 0.000 0.000 22.284) 22.284 3.306 ( 0.000 0.000 4.801) 4.801 3.671 ( 0.000 0.000 -0.472) 0.472 3.787 ( 0.000 0.000 -5.918) 5.918 4.093 ( 0.000 0.000 33.094) 33.094 4.103 ( 0.000 0.000 3.508) 3.508 4.204 ( 0.000 0.000 -2.897) 2.897 4.215 ( 0.000 0.000 23.193) 23.193 4.420 ( 0.000 0.000 15.428) 15.428 5.376 ( 0.000 0.000 -13.044) 13.044 5.751 ( 0.000 0.000 -0.487) 0.487 5.761 ( 0.000 0.000 2.739) 2.739 6.288 ( 0.000 0.000 -23.929) 23.929 6.489 ( 0.000 0.000 -25.428) 25.428 9.152 ( 0.000 0.000 15.401) 15.401 9.832 ( 0.000 0.000 -3.871) 3.871 10.152 ( 0.000 0.000 0.389) 0.389 10.375 ( 0.000 0.000 9.841) 9.841 10.492 ( 0.000 0.000 -10.080) 10.080 10.931 ( 0.000 0.000 -7.189) 7.189 11.598 ( 0.000 0.000 6.110) 6.110 11.903 ( 0.000 0.000 2.192) 2.192 11.926 ( 0.000 0.000 -2.210) 2.210 12.483 ( 0.000 0.000 19.750) 19.750 12.649 ( 0.000 0.000 -24.531) 24.531 12.967 ( 0.000 0.000 28.300) 28.300 14.089 ( 0.000 0.000 -13.100) 13.100 14.300 ( 0.000 0.000 14.297) 14.297 14.892 ( 0.000 0.000 -4.781) 4.781 15.527 ( 0.000 0.000 -28.695) 28.695 15.820 ( 0.000 0.000 42.025) 42.025 17.203 ( 0.000 0.000 17.264) 17.264 17.292 ( 0.000 0.000 7.360) 7.360 17.369 ( 0.000 0.000 -9.317) 9.317 17.889 ( 0.000 0.000 -3.448) 3.448 18.118 ( 0.000 0.000 -11.099) 11.099 18.484 ( 0.000 0.000 -5.357) 5.357 18.793 ( 0.000 0.000 -9.803) 9.803 ======================= Grid point 316 (95/155) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 17.426 -5.277 15.554) 23.947 1.648 ( -1.315 -18.752 17.153) 25.448 2.191 ( 6.506 -1.961 -20.986) 22.058 2.569 ( 1.060 -4.100 -6.932) 8.123 3.114 ( -4.911 -1.283 19.054) 19.719 3.351 ( 4.020 -2.430 6.845) 8.302 3.480 ( -1.242 15.034 14.919) 21.216 3.754 ( -2.098 2.710 -5.204) 6.231 3.949 ( 1.227 6.725 4.329) 8.091 3.976 ( 1.471 10.629 5.430) 12.026 4.164 ( 0.014 4.221 -4.107) 5.889 4.479 ( -3.960 -16.590 23.805) 29.285 4.589 ( 6.079 -11.979 16.335) 21.149 5.347 ( -4.096 2.126 -11.862) 12.728 5.613 ( 0.961 10.679 -3.219) 11.195 5.870 ( -2.341 -8.030 6.893) 10.839 6.067 ( 0.565 13.765 -27.597) 30.845 6.691 ( -0.120 -12.763 -18.358) 22.359 9.160 ( 5.789 1.906 14.686) 15.901 9.824 ( 4.435 3.574 -4.240) 7.101 10.138 ( -22.272 -10.147 4.224) 24.837 10.419 ( -10.348 -3.252 -0.536) 10.860 10.624 ( 8.685 -12.593 -1.757) 15.398 11.016 ( 13.644 -4.177 -7.955) 16.337 11.659 ( 0.715 -0.717 -0.125) 1.020 11.897 ( 2.028 -4.823 1.616) 5.476 12.060 ( 2.360 -10.281 2.256) 10.786 12.460 ( -3.620 -0.460 13.711) 14.188 12.597 ( 3.270 5.524 -16.646) 17.841 12.975 ( -1.155 -1.408 26.519) 26.581 14.040 ( 0.308 5.195 -10.526) 11.742 14.356 ( 1.833 -4.729 15.695) 16.494 14.952 ( 0.280 -5.764 -3.394) 6.695 15.567 ( -0.121 -3.954 -28.733) 29.004 15.851 ( -0.621 -3.877 39.492) 39.687 17.149 ( -0.285 5.541 16.737) 17.633 17.258 ( 0.054 2.989 3.930) 4.938 17.376 ( 0.238 0.132 -6.485) 6.491 17.860 ( 0.014 2.836 -4.025) 4.924 18.057 ( 0.627 6.941 -11.170) 13.166 18.412 ( -2.420 6.417 -5.337) 8.690 18.742 ( -2.331 4.184 -9.850) 10.952 ======================= Grid point 317 (96/155) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 24.619 -7.276 12.726) 28.653 1.979 ( -3.334 -16.575 10.334) 19.815 2.330 ( 8.580 -6.048 -9.560) 14.198 2.661 ( 1.228 -4.449 1.240) 4.779 3.102 ( -6.023 -1.400 18.914) 19.900 3.261 ( -4.346 2.789 4.975) 7.171 3.461 ( 5.110 -4.611 6.324) 9.347 3.659 ( -1.737 5.268 -6.035) 8.197 3.791 ( 0.802 9.617 3.428) 10.241 3.841 ( 2.283 8.444 -1.899) 8.950 4.070 ( 0.522 5.480 -6.070) 8.194 4.712 ( -1.869 -12.260 14.820) 19.325 4.850 ( 5.337 -9.465 13.129) 17.042 5.128 ( -8.367 17.175 -13.579) 23.438 5.454 ( 7.521 8.273 -7.892) 13.686 5.844 ( -1.859 8.054 -18.158) 19.951 6.065 ( -4.140 -13.913 11.319) 18.407 6.883 ( -0.428 -8.142 -10.362) 13.185 9.181 ( 9.774 3.169 12.327) 16.048 9.759 ( 2.079 6.730 -4.565) 8.394 10.142 ( -23.931 -12.223 4.828) 27.302 10.342 ( -20.285 -4.524 -1.308) 20.824 10.990 ( 17.367 -10.475 0.568) 20.289 11.254 ( 18.931 -2.104 -5.536) 19.836 11.598 ( 1.013 1.999 -4.180) 4.743 12.017 ( -2.281 3.950 -12.198) 13.023 12.316 ( -0.076 -22.949 7.653) 24.192 12.506 ( 3.506 -0.002 16.377) 16.748 12.682 ( -0.587 -21.411 -5.058) 22.008 12.996 ( -1.583 -2.129 20.934) 21.101 13.920 ( 0.034 7.469 -3.106) 8.089 14.486 ( 3.880 -6.425 17.965) 19.470 15.080 ( 0.615 -7.037 -0.559) 7.086 15.636 ( -0.369 -2.442 -26.782) 26.895 15.959 ( -1.959 -9.051 31.671) 32.997 17.012 ( -0.242 8.266 13.920) 16.192 17.202 ( 0.104 2.875 1.138) 3.094 17.354 ( 0.105 2.507 -5.398) 5.952 17.798 ( -0.432 3.915 -7.255) 8.255 17.878 ( 1.846 13.291 -11.610) 17.744 18.226 ( -3.688 10.089 -4.210) 11.537 18.611 ( -3.258 7.072 -9.759) 12.485 ======================= Grid point 318 (97/155) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 25.722 -6.813 10.965) 28.780 2.201 ( -2.383 -11.910 1.003) 12.187 2.514 ( 0.314 -7.835 10.952) 13.469 2.770 ( 4.089 -5.958 -0.117) 7.227 3.064 ( -7.961 -2.869 9.620) 12.813 3.275 ( -7.103 -5.882 -3.785) 9.968 3.523 ( 0.258 5.404 -4.326) 6.927 3.614 ( 4.102 -0.046 -4.050) 5.765 3.659 ( 2.223 3.129 3.940) 5.501 3.669 ( 0.343 9.445 -2.369) 9.744 3.993 ( 1.194 3.707 -5.853) 7.030 4.637 ( -4.438 26.891 -21.817) 34.911 4.911 ( -0.067 -9.649 11.566) 15.063 5.037 ( 4.394 -6.186 7.375) 10.582 5.399 ( 7.372 5.888 -4.993) 10.674 5.682 ( -4.626 6.717 -11.990) 14.501 6.321 ( -4.180 -17.038 17.314) 24.648 6.976 ( -0.657 -2.332 -2.218) 3.285 9.214 ( 11.389 3.176 8.397) 14.502 9.623 ( -4.430 6.327 -4.284) 8.833 10.168 ( -20.230 -11.349 3.521) 23.462 10.268 ( -11.383 -2.677 0.709) 11.715 11.097 ( 5.903 6.943 -5.489) 10.638 11.419 ( 12.458 4.154 -6.612) 14.702 11.680 ( 12.664 -2.691 4.145) 13.594 11.907 ( -2.183 -0.898 -10.958) 11.210 12.482 ( 0.825 -0.976 15.195) 15.249 12.861 ( -4.211 -20.648 11.746) 24.126 13.066 ( 2.383 -15.282 10.651) 18.779 13.185 ( -0.488 -28.905 7.016) 29.748 13.788 ( -0.705 6.129 8.787) 10.736 14.670 ( 5.860 -9.637 14.468) 18.345 15.202 ( 0.323 -5.371 1.487) 5.583 15.586 ( -0.858 9.196 -17.935) 20.174 16.140 ( -4.075 -13.196 21.067) 25.191 16.893 ( 0.627 3.149 4.554) 5.572 17.160 ( -0.119 1.652 -1.308) 2.110 17.291 ( -0.291 4.016 -5.049) 6.458 17.584 ( 2.827 18.744 -11.151) 21.992 17.707 ( -1.710 8.251 -16.258) 18.312 18.035 ( -1.892 5.779 0.363) 6.091 18.437 ( -3.107 8.477 -8.969) 12.727 ======================= Grid point 319 (98/155) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 22.749 -4.957 10.014) 25.345 2.340 ( -7.360 -4.503 1.399) 8.741 2.665 ( -1.661 -12.725 13.412) 18.562 2.958 ( 4.377 -8.028 -1.664) 9.293 3.085 ( -6.781 -6.211 0.052) 9.196 3.269 ( -7.839 -1.664 -4.902) 9.395 3.385 ( -0.782 8.652 -3.428) 9.339 3.522 ( -0.814 2.553 -8.750) 9.151 3.579 ( 3.835 3.026 -6.011) 7.746 3.773 ( 3.357 -4.294 0.993) 5.540 3.940 ( -0.033 3.555 -3.528) 5.009 4.091 ( -0.162 28.190 -24.799) 37.546 5.080 ( -1.902 -9.449 7.180) 12.019 5.173 ( 5.138 -3.968 4.043) 7.648 5.351 ( 6.719 5.826 -1.743) 9.062 5.517 ( -6.239 5.914 -5.434) 10.170 6.593 ( -2.638 -15.260 16.486) 22.619 6.954 ( -0.386 4.196 5.452) 6.891 9.266 ( 11.355 1.884 3.763) 12.109 9.470 ( -8.770 3.592 -2.991) 9.938 10.199 ( -14.840 -8.575 2.852) 17.375 10.237 ( -0.590 0.623 2.083) 2.253 11.031 ( 1.015 1.421 -9.241) 9.404 11.273 ( 3.656 13.569 -13.462) 19.461 11.850 ( 11.217 -2.542 9.173) 14.712 11.976 ( -1.716 -3.776 5.520) 6.904 12.560 ( 4.615 -5.492 8.490) 11.115 12.884 ( -5.952 2.775 5.647) 8.661 13.463 ( 1.085 -13.686 22.436) 26.303 13.692 ( -1.353 3.243 21.035) 21.326 13.842 ( 1.524 -41.437 6.503) 41.971 14.935 ( 5.470 -11.855 6.994) 14.812 15.244 ( -1.233 19.716 -5.683) 20.556 15.266 ( -0.875 5.259 3.726) 6.504 16.378 ( -5.869 -17.970 8.507) 20.730 16.925 ( 2.811 -2.164 -7.361) 8.171 17.106 ( -0.461 7.152 -5.169) 8.836 17.202 ( 0.192 3.707 -4.471) 5.811 17.299 ( 3.589 10.926 -9.561) 14.956 17.472 ( -3.728 13.252 -18.093) 22.735 18.008 ( 0.820 -2.284 -0.738) 2.537 18.257 ( -2.562 8.222 -7.171) 11.207 ======================= Grid point 320 (99/155) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -16.772 2.071 8.567) 18.947 2.238 ( 16.772 -2.071 8.567) 18.947 2.919 ( 5.190 -9.920 5.101) 12.303 2.919 ( -5.190 9.920 5.101) 12.303 3.189 ( -3.446 -9.409 -1.589) 10.146 3.189 ( 3.446 9.409 -1.589) 10.146 3.452 ( -2.594 -12.710 -12.936) 18.320 3.452 ( 2.594 12.710 -12.936) 18.320 3.616 ( 1.032 -10.104 -12.583) 16.171 3.616 ( -1.032 10.104 -12.583) 16.171 3.890 ( 0.441 -3.661 -4.210) 5.596 3.890 ( -0.441 3.661 -4.210) 5.596 5.208 ( -5.788 -7.002 3.337) 9.678 5.208 ( 5.788 7.001 3.337) 9.678 5.369 ( 5.272 -2.900 -0.815) 6.072 5.369 ( -5.272 2.900 -0.815) 6.072 6.819 ( -0.960 -10.537 11.983) 15.986 6.819 ( 0.960 10.537 11.983) 15.986 9.348 ( -10.569 0.496 -0.308) 10.585 9.348 ( 10.569 -0.496 -0.308) 10.586 10.222 ( -8.299 -4.840 2.691) 9.977 10.222 ( 8.299 4.840 2.691) 9.977 11.088 ( -1.247 -7.500 -12.376) 14.525 11.088 ( 1.247 7.500 -12.376) 14.525 11.960 ( -8.206 -1.866 11.205) 14.014 11.960 ( 8.206 1.866 11.205) 14.014 12.735 ( 5.760 -6.564 3.159) 9.287 12.735 ( -5.760 6.564 3.159) 9.287 13.620 ( 1.414 -4.179 27.473) 27.825 13.620 ( -1.414 4.179 27.473) 27.825 14.609 ( 1.770 -38.223 3.070) 38.387 14.609 ( -1.770 38.223 3.070) 38.387 15.187 ( 3.445 -6.852 4.117) 8.705 15.187 ( -3.445 6.852 4.117) 8.705 16.706 ( -5.162 -22.187 -2.779) 22.949 16.706 ( 5.162 22.187 -2.779) 22.949 17.175 ( 1.784 -7.001 -10.450) 12.705 17.175 ( -1.784 7.001 -10.450) 12.705 17.231 ( 1.942 -3.168 -10.302) 10.951 17.231 ( -1.942 3.168 -10.302) 10.951 18.102 ( 1.870 -6.214 -4.367) 7.822 18.102 ( -1.870 6.214 -4.367) 7.822 ======================= Grid point 327 (100/155) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 29.298 -0.000 12.300) 31.776 1.447 ( 0.059 -0.000 19.294) 19.294 2.258 ( 11.881 -0.000 -19.459) 22.799 2.540 ( 1.795 -0.000 -9.454) 9.623 3.050 ( -6.656 0.000 15.925) 17.260 3.371 ( 5.111 -0.000 10.769) 11.920 3.664 ( -0.799 0.000 2.174) 2.316 3.759 ( -3.205 0.000 -3.936) 5.076 4.092 ( 0.517 -0.000 30.042) 30.047 4.132 ( 2.628 -0.000 5.509) 6.103 4.162 ( -2.950 0.000 9.780) 10.216 4.214 ( 0.006 -0.000 2.361) 2.361 4.500 ( 7.252 -0.000 19.085) 20.417 5.329 ( -5.058 0.000 -13.254) 14.186 5.714 ( -4.537 0.000 0.599) 4.576 5.732 ( -3.261 0.000 1.666) 3.662 6.312 ( 2.744 -0.000 -24.287) 24.441 6.483 ( -0.571 0.000 -24.933) 24.939 9.256 ( 11.709 -0.000 15.509) 19.433 9.838 ( -23.648 0.000 4.394) 24.053 9.934 ( 10.779 -0.000 -4.056) 11.517 10.218 ( -24.890 0.000 -7.454) 25.982 10.597 ( 13.583 -0.000 4.151) 14.203 11.043 ( 7.708 -0.000 -8.739) 11.653 11.659 ( 6.453 -0.000 5.177) 8.274 11.928 ( 0.522 -0.000 -0.539) 0.750 11.995 ( 8.066 -0.000 3.146) 8.658 12.416 ( -4.596 0.000 9.064) 10.162 12.703 ( 4.284 -0.000 -15.333) 15.920 12.945 ( -2.462 0.000 27.960) 28.068 14.097 ( 1.034 -0.000 -12.977) 13.018 14.332 ( 3.322 -0.000 13.031) 13.448 14.895 ( 0.357 -0.000 -4.597) 4.611 15.525 ( -0.214 0.000 -28.671) 28.672 15.813 ( -0.841 0.000 42.180) 42.188 17.197 ( -0.733 0.000 17.141) 17.156 17.292 ( -0.076 0.000 7.459) 7.459 17.377 ( 0.880 -0.000 -9.193) 9.235 17.890 ( 0.085 -0.000 -3.721) 3.722 18.127 ( 0.974 -0.000 -11.307) 11.349 18.440 ( -4.951 0.000 -5.567) 7.450 18.748 ( -4.876 0.000 -9.009) 10.244 ======================= Grid point 328 (101/155) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 27.641 -3.446 10.173) 29.654 1.651 ( 4.728 -16.362 15.348) 22.927 2.359 ( 10.209 0.599 -12.175) 15.900 2.608 ( 3.797 -4.515 -5.170) 7.844 3.014 ( -4.950 -2.021 11.200) 12.411 3.415 ( -0.662 8.513 21.667) 23.289 3.454 ( 1.393 5.987 11.008) 12.608 3.702 ( -3.349 2.239 -8.487) 9.395 3.978 ( 1.956 7.437 1.613) 7.857 4.022 ( 3.356 9.789 5.346) 11.647 4.165 ( 0.091 3.938 -4.386) 5.895 4.429 ( -1.445 -16.699 21.991) 27.651 4.709 ( 7.208 -11.412 17.086) 21.774 5.239 ( -7.280 4.782 -12.340) 15.104 5.607 ( -2.641 4.186 -1.918) 5.309 5.790 ( -6.662 -8.260 6.718) 12.559 6.092 ( 2.357 15.902 -28.003) 32.289 6.689 ( 0.000 -12.483 -18.102) 21.988 9.339 ( 12.581 3.387 13.579) 18.819 9.727 ( -21.632 -9.430 5.713) 24.280 9.869 ( -11.170 7.260 -3.905) 13.882 10.136 ( -3.080 -4.841 -4.183) 7.101 10.858 ( 11.976 -15.084 2.010) 19.365 11.249 ( 11.349 -13.457 -9.691) 20.095 11.672 ( 0.261 6.317 -2.746) 6.893 11.966 ( 5.739 -5.387 5.590) 9.654 12.088 ( -1.672 -4.210 6.375) 7.820 12.436 ( 3.305 -5.020 0.679) 6.048 12.656 ( 3.098 7.411 -7.028) 10.673 12.938 ( -2.930 -1.823 25.129) 25.365 14.054 ( 1.314 5.792 -11.179) 12.658 14.413 ( 4.421 -5.030 14.265) 15.759 14.962 ( 0.936 -6.028 -3.224) 6.900 15.563 ( -0.333 -3.909 -28.607) 28.875 15.831 ( -1.660 -3.255 39.748) 39.915 17.138 ( -0.949 5.303 16.641) 17.491 17.260 ( 0.117 2.868 4.739) 5.541 17.385 ( 0.868 0.578 -6.978) 7.056 17.860 ( -0.044 2.997 -4.769) 5.633 18.077 ( 1.545 6.578 -11.645) 13.464 18.332 ( -6.502 5.844 -5.523) 10.341 18.668 ( -5.774 3.301 -8.664) 10.922 ======================= Grid point 329 (102/155) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 24.397 -7.154 7.688) 26.561 1.978 ( 5.463 -12.132 11.352) 17.490 2.405 ( -1.021 -1.812 4.489) 4.947 2.748 ( 8.737 -4.438 -3.556) 10.425 3.010 ( -3.330 1.716 16.037) 16.468 3.162 ( -6.718 3.023 6.412) 9.766 3.542 ( 3.674 -3.788 8.410) 9.929 3.627 ( -1.570 2.594 -9.377) 9.855 3.815 ( 1.841 9.684 1.938) 10.046 3.877 ( 1.645 10.517 -0.215) 10.647 4.082 ( 0.859 4.764 -6.356) 7.989 4.694 ( -0.267 -12.094 13.470) 18.105 4.936 ( 2.647 -3.499 3.852) 5.838 5.016 ( -2.462 9.932 -6.767) 12.268 5.532 ( 0.243 2.916 -3.973) 4.935 5.828 ( 1.109 12.163 -20.777) 24.101 5.959 ( -7.854 -15.099 12.603) 21.177 6.875 ( -0.367 -7.806 -10.446) 13.046 9.343 ( 1.899 2.347 7.156) 7.767 9.601 ( -21.423 3.570 -2.584) 21.872 9.811 ( -6.424 -10.407 8.763) 15.046 10.217 ( 7.033 -1.374 -1.914) 7.417 11.244 ( 10.678 -6.040 -0.819) 12.295 11.486 ( 6.324 0.149 -2.351) 6.749 11.671 ( 8.840 -11.479 -2.852) 14.767 11.939 ( -6.736 6.469 -9.307) 13.185 12.333 ( 2.547 -19.312 8.928) 21.428 12.560 ( 0.361 1.620 5.090) 5.353 12.697 ( 4.137 -19.461 2.884) 20.104 12.960 ( -2.418 -3.365 18.512) 18.970 13.923 ( 0.254 8.481 -3.557) 9.200 14.579 ( 6.526 -7.401 15.838) 18.660 15.097 ( 1.460 -6.743 -0.540) 6.920 15.627 ( -0.585 -2.151 -26.047) 26.143 15.909 ( -3.675 -7.844 31.517) 32.686 17.004 ( -0.635 7.596 14.124) 16.049 17.205 ( 0.168 2.971 1.822) 3.489 17.358 ( 0.452 3.028 -5.755) 6.519 17.787 ( -0.972 4.880 -9.242) 10.496 17.917 ( 2.381 12.452 -12.641) 17.903 18.140 ( -5.639 7.966 -3.418) 10.341 18.536 ( -4.950 5.756 -8.663) 11.519 ======================= Grid point 330 (103/155) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 22.703 -4.503 6.727) 24.103 2.181 ( -0.554 -7.822 4.832) 9.211 2.435 ( -6.512 -7.029 17.538) 19.985 2.912 ( 9.361 -3.056 -0.140) 9.849 2.937 ( -5.199 -3.214 6.687) 9.060 3.139 ( -8.017 -2.567 -0.928) 8.469 3.517 ( -0.725 4.263 -9.101) 10.076 3.658 ( 0.386 9.975 -3.476) 10.570 3.692 ( 3.326 5.421 -2.877) 6.981 3.708 ( 2.516 -3.274 5.414) 6.809 4.009 ( 0.408 4.086 -5.084) 6.535 4.579 ( -1.762 22.710 -23.749) 32.906 4.910 ( -0.182 -7.549 10.316) 12.784 5.124 ( 5.155 -5.845 6.452) 10.118 5.484 ( -0.883 2.848 -3.830) 4.854 5.620 ( 0.487 10.440 -13.033) 16.706 6.234 ( -5.509 -19.550 19.290) 28.012 6.965 ( -0.497 -2.305 -2.435) 3.390 9.317 ( -4.788 -1.418 1.335) 5.169 9.371 ( -20.934 1.031 -1.088) 20.988 9.973 ( 4.101 -7.524 9.389) 12.712 10.307 ( 11.400 0.284 -0.547) 11.416 11.139 ( -0.456 9.482 -6.370) 11.432 11.571 ( 3.183 13.423 -11.594) 18.020 11.819 ( 1.476 -7.110 8.179) 10.938 11.943 ( 9.175 -4.621 -0.052) 10.273 12.503 ( 1.265 -3.544 6.291) 7.331 12.777 ( -5.215 -12.061 12.888) 18.405 13.112 ( 2.781 -20.612 9.305) 22.785 13.179 ( -0.092 -29.041 8.108) 30.152 13.773 ( -0.897 6.851 8.960) 11.315 14.797 ( 8.421 -9.417 12.744) 17.945 15.214 ( 1.106 -4.249 1.515) 4.645 15.569 ( -0.970 9.560 -17.041) 19.563 16.047 ( -6.426 -11.918 20.370) 24.460 16.904 ( 0.544 1.592 5.178) 5.445 17.159 ( 0.010 2.067 -0.870) 2.243 17.288 ( -0.078 4.601 -4.837) 6.676 17.622 ( -0.092 13.334 -13.338) 18.860 17.675 ( -0.692 14.138 -16.715) 21.904 18.008 ( -1.015 2.203 0.082) 2.426 18.377 ( -3.619 7.365 -7.972) 11.441 ======================= Grid point 331 (104/155) ======================= q-point: ( 0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -12.924 2.828 10.066) 16.624 2.344 ( 15.339 -2.146 7.010) 17.001 2.674 ( 1.879 -18.742 6.674) 19.983 2.974 ( -1.393 -2.267 2.301) 3.518 3.045 ( -1.522 -2.089 4.000) 4.762 3.132 ( -3.402 -9.877 -7.164) 12.667 3.401 ( 1.709 9.615 -4.398) 10.710 3.508 ( -0.770 2.789 -8.736) 9.203 3.645 ( 3.750 3.193 -7.083) 8.627 3.819 ( 1.820 -3.995 0.728) 4.450 3.923 ( -1.728 5.929 -3.398) 7.049 4.115 ( 2.728 25.761 -26.363) 36.961 5.027 ( -3.755 -7.107 5.924) 9.985 5.274 ( 5.696 -4.885 4.067) 8.535 5.386 ( -6.975 3.975 -4.150) 9.037 5.470 ( 5.158 8.349 -2.389) 10.101 6.545 ( -2.635 -17.427 17.477) 24.821 6.951 ( -0.001 3.585 5.213) 6.327 9.203 ( -18.222 -1.419 0.921) 18.300 9.323 ( -6.211 -4.565 -2.816) 8.207 10.143 ( 10.408 -3.784 8.288) 13.833 10.401 ( 15.024 2.217 -0.282) 15.190 11.020 ( -2.230 1.656 -8.130) 8.591 11.293 ( -1.918 13.776 -15.140) 20.559 11.877 ( -4.677 -0.433 12.648) 13.492 12.067 ( 9.583 0.631 8.836) 13.050 12.639 ( 3.248 -7.885 2.227) 8.814 12.768 ( -6.624 2.503 6.503) 9.614 13.483 ( 1.151 -13.294 21.592) 25.383 13.667 ( -1.382 3.549 21.749) 22.080 13.869 ( 1.575 -42.114 6.053) 42.575 15.047 ( 6.985 -6.844 7.291) 12.198 15.225 ( -0.816 19.770 -6.559) 20.845 15.256 ( -0.177 5.522 5.092) 7.514 16.259 ( -7.482 -18.712 6.851) 21.285 16.971 ( 2.339 -4.917 -6.168) 8.228 17.102 ( 0.037 5.613 -3.644) 6.692 17.201 ( -0.152 3.147 -3.827) 4.957 17.360 ( 2.777 13.137 -11.046) 17.387 17.402 ( -3.797 12.957 -19.010) 23.317 18.026 ( 1.190 -3.337 -2.308) 4.228 18.212 ( -2.395 7.437 -6.204) 9.977 ======================= Grid point 332 (105/155) ======================= q-point: (-0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -18.220 6.532 13.316) 23.494 2.459 ( 7.526 1.440 1.351) 7.781 2.854 ( -1.660 6.936 8.263) 10.915 3.012 ( 4.526 -9.976 4.092) 11.694 3.146 ( -0.931 -4.031 -0.320) 4.149 3.255 ( 3.740 5.805 -2.604) 7.380 3.415 ( -1.205 -17.153 -12.109) 21.031 3.478 ( -0.334 1.304 -10.318) 10.406 3.599 ( 0.610 10.432 -14.518) 17.888 3.674 ( 3.998 2.989 -10.605) 11.721 3.876 ( -1.081 4.757 -7.914) 9.297 3.892 ( -0.163 -2.540 -3.296) 4.164 5.105 ( -5.589 -5.142 3.606) 8.407 5.251 ( -5.124 4.140 0.294) 6.594 5.305 ( 3.295 7.143 2.112) 8.145 5.466 ( 4.615 -4.397 -0.801) 6.424 6.793 ( -1.136 -6.883 12.622) 14.421 6.848 ( 1.517 4.240 11.346) 12.207 9.103 ( -14.286 -2.934 3.600) 15.022 9.378 ( -5.615 -7.052 -5.101) 10.358 10.289 ( 14.486 -0.375 6.094) 15.720 10.485 ( 18.489 4.506 -0.731) 19.045 11.023 ( -5.592 -2.427 -9.055) 10.916 11.097 ( -1.505 2.595 -12.890) 13.235 11.788 ( -10.149 2.338 11.256) 15.335 12.088 ( 5.623 4.629 7.200) 10.242 12.609 ( -7.186 4.832 8.007) 11.794 12.834 ( 4.390 -6.891 0.453) 8.183 13.597 ( -1.135 3.863 28.518) 28.801 13.643 ( 1.145 -4.424 26.449) 26.841 14.581 ( -1.290 38.389 3.355) 38.557 14.639 ( 1.639 -38.039 2.774) 38.175 15.138 ( -2.114 9.736 4.377) 10.882 15.253 ( 3.810 -3.696 4.154) 6.741 16.612 ( -5.202 -24.443 -4.505) 25.393 16.783 ( 3.537 19.980 -0.649) 20.301 17.141 ( -2.059 9.331 -14.960) 17.752 17.198 ( -1.325 0.588 -7.386) 7.527 17.202 ( 1.189 -4.066 -7.837) 8.909 17.269 ( 1.914 -6.439 -11.880) 13.648 18.073 ( -1.364 5.573 -3.351) 6.644 18.134 ( 1.671 -6.774 -5.474) 8.868 ======================= Grid point 333 (106/155) ======================= q-point: (-0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -18.419 8.377 14.728) 25.027 2.407 ( 1.365 7.380 -8.222) 11.132 2.702 ( 1.091 11.695 16.213) 20.021 2.912 ( -0.161 12.060 -1.368) 12.139 3.208 ( 6.461 4.796 0.390) 8.056 3.323 ( -0.085 -12.649 -1.531) 12.741 3.472 ( 6.641 3.807 -7.589) 10.779 3.517 ( -2.498 -2.424 -3.890) 5.220 3.537 ( 0.866 -3.221 -8.084) 8.745 3.703 ( -4.583 5.328 0.560) 7.050 3.929 ( -0.906 -2.337 -4.513) 5.162 4.111 ( 1.514 -30.269 -23.110) 38.113 5.056 ( -3.356 5.346 5.582) 8.426 5.145 ( 1.075 8.225 6.066) 10.276 5.242 ( -5.314 -4.016 -1.212) 6.770 5.605 ( 3.557 -6.041 -5.717) 9.046 6.631 ( 1.599 13.510 15.695) 20.770 6.962 ( 0.437 -4.539 5.647) 7.258 9.057 ( -9.975 -3.498 6.870) 12.607 9.479 ( -4.221 -8.361 -5.840) 11.038 10.411 ( 16.943 2.041 3.819) 17.488 10.559 ( 21.684 6.288 -0.498) 22.583 10.971 ( -6.079 -1.171 -6.842) 9.228 11.179 ( -7.279 -9.514 -10.852) 16.164 11.625 ( -12.797 4.247 7.071) 15.225 11.991 ( -0.267 6.955 -3.585) 7.829 12.501 ( -2.024 2.104 16.143) 16.405 12.966 ( 3.258 -3.439 4.546) 6.565 13.447 ( -0.652 14.232 22.993) 27.049 13.711 ( 0.824 -3.070 20.740) 20.982 13.819 ( -0.985 40.901 7.033) 41.513 14.863 ( -2.765 14.897 6.950) 16.670 15.263 ( 0.900 -23.510 -5.368) 24.132 15.282 ( 0.866 -0.162 3.055) 3.179 16.457 ( 3.155 17.747 9.956) 20.592 16.881 ( -2.096 -0.651 -8.447) 8.727 17.119 ( 1.087 -10.441 -7.174) 12.715 17.187 ( -1.617 -5.565 -5.948) 8.305 17.250 ( -1.612 -5.135 -6.722) 8.611 17.524 ( 2.072 -13.440 -17.318) 22.019 17.998 ( -0.314 1.122 0.352) 1.218 18.295 ( 1.663 -8.866 -7.997) 12.055 ======================= Grid point 334 (107/155) ======================= q-point: (-0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -12.831 9.592 15.984) 22.630 2.270 ( 5.321 9.813 -6.818) 13.080 2.419 ( -7.469 13.188 6.984) 16.688 2.771 ( 1.449 6.636 6.175) 9.180 3.181 ( 4.303 3.252 9.860) 11.239 3.379 ( 4.506 8.574 -5.302) 11.042 3.501 ( -2.265 -0.802 2.196) 3.255 3.546 ( -2.671 -2.816 -4.495) 5.939 3.629 ( -0.841 -7.471 2.717) 7.994 3.671 ( 0.129 -8.282 -5.045) 9.698 3.975 ( -0.622 -3.860 -6.163) 7.299 4.708 ( 2.744 -30.799 -20.680) 37.199 4.913 ( 0.014 8.310 8.765) 12.079 4.984 ( -1.466 8.785 10.171) 13.519 5.288 ( -4.156 -4.647 -4.697) 7.806 5.741 ( 1.797 -6.098 -11.454) 13.100 6.372 ( 1.517 15.760 16.241) 22.682 6.985 ( 0.313 2.341 -2.089) 3.153 9.055 ( -5.260 -3.404 10.152) 11.930 9.602 ( -2.506 -7.952 -5.611) 10.049 10.492 ( 16.307 5.554 4.906) 17.912 10.648 ( 23.487 5.300 -0.433) 24.081 10.936 ( -9.687 0.267 -3.666) 10.361 11.131 ( -20.575 3.577 -4.738) 21.414 11.516 ( -4.654 -3.579 0.445) 5.888 11.933 ( 0.714 -2.489 -16.586) 16.787 12.476 ( -0.074 0.315 20.095) 20.098 12.916 ( 1.803 33.757 8.883) 34.952 13.034 ( -1.064 3.370 12.865) 13.341 13.192 ( 0.188 28.859 6.827) 29.656 13.797 ( 0.272 -5.746 8.568) 10.319 14.600 ( -2.088 10.011 15.728) 18.760 15.200 ( 0.009 6.116 1.388) 6.271 15.597 ( 0.332 -8.977 -18.420) 20.494 16.187 ( 1.378 13.881 21.473) 25.606 16.885 ( -0.287 -4.143 4.206) 5.911 17.162 ( 0.078 -1.261 -1.513) 1.971 17.296 ( 0.175 -3.517 -5.273) 6.341 17.545 ( -1.289 -20.415 -10.935) 23.195 17.726 ( 0.486 -6.339 -14.216) 15.573 18.062 ( 0.930 -8.220 -0.115) 8.274 18.477 ( 1.228 -9.215 -9.612) 13.372 ======================= Grid point 335 (108/155) ======================= q-point: (-0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 0.000 9.172 16.764) 19.109 2.039 ( 0.000 20.100 16.403) 25.943 2.216 ( 0.000 3.950 -20.055) 20.440 2.658 ( 0.000 5.872 1.649) 6.099 3.169 ( 0.000 1.342 23.372) 23.410 3.304 ( -0.000 -1.802 2.328) 2.944 3.399 ( 0.000 4.694 3.115) 5.634 3.676 ( -0.000 -7.020 -1.606) 7.202 3.788 ( -0.000 -8.922 2.623) 9.300 3.814 ( -0.000 -7.482 -3.309) 8.181 4.065 ( -0.000 -5.839 -5.852) 8.267 4.750 ( 0.000 10.034 10.277) 14.363 4.781 ( 0.000 12.119 18.903) 22.455 5.256 ( -0.000 -25.278 -14.752) 29.268 5.332 ( -0.000 -2.617 -8.456) 8.852 5.864 ( -0.000 -6.910 -17.018) 18.368 6.101 ( 0.000 13.588 10.984) 17.473 6.887 ( 0.000 8.244 -10.351) 13.233 9.090 ( -0.000 -2.893 12.859) 13.181 9.720 ( -0.000 -5.924 -4.890) 7.681 10.482 ( 0.000 5.107 8.224) 9.681 10.580 ( 0.000 18.415 1.739) 18.497 10.793 ( 0.000 5.161 -5.336) 7.424 10.962 ( 0.000 1.032 -6.147) 6.233 11.592 ( -0.000 -5.510 -4.587) 7.169 12.034 ( -0.000 -1.494 -13.142) 13.227 12.318 ( 0.000 24.243 4.642) 24.683 12.475 ( -0.000 -0.173 20.853) 20.854 12.688 ( 0.000 21.455 -6.578) 22.440 13.011 ( 0.000 1.693 21.809) 21.874 13.920 ( -0.000 -7.154 -3.131) 7.809 14.451 ( 0.000 6.176 18.960) 19.940 15.074 ( 0.000 7.173 -0.593) 7.198 15.639 ( 0.000 2.559 -27.037) 27.158 15.976 ( 0.000 9.422 31.713) 33.083 17.014 ( -0.000 -8.503 13.838) 16.241 17.201 ( -0.000 -2.823 0.871) 2.955 17.353 ( -0.000 -2.343 -5.236) 5.736 17.802 ( -0.000 -3.236 -6.819) 7.548 17.861 ( -0.000 -14.075 -11.083) 17.915 18.259 ( -0.000 -10.739 -4.351) 11.587 18.640 ( -0.000 -7.616 -10.206) 12.734 ======================= Grid point 338 (109/155) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 4.216 -0.000 19.241) 19.697 1.735 ( 32.439 -0.000 7.559) 33.308 2.508 ( 15.726 -0.000 -12.469) 20.070 2.560 ( -0.248 0.000 -1.535) 1.554 2.960 ( -2.436 0.000 6.176) 6.639 3.450 ( 3.716 -0.000 15.271) 15.717 3.630 ( -4.129 0.000 17.004) 17.498 3.691 ( -3.345 0.000 -10.560) 11.077 4.117 ( 2.531 -0.000 32.084) 32.184 4.139 ( 0.481 -0.000 2.064) 2.120 4.188 ( 3.627 -0.000 0.925) 3.743 4.213 ( -0.089 0.000 -0.240) 0.256 4.633 ( 7.482 -0.000 21.476) 22.742 5.216 ( -7.393 0.000 -13.244) 15.168 5.587 ( -10.073 0.000 2.174) 10.305 5.648 ( -6.313 0.000 -1.374) 6.461 6.378 ( 4.625 -0.000 -24.549) 24.981 6.471 ( -0.779 0.000 -23.653) 23.665 9.418 ( -23.499 0.000 5.116) 24.049 9.537 ( 18.658 -0.000 15.028) 23.958 9.750 ( -26.107 0.000 -4.289) 26.457 10.180 ( 16.175 -0.000 -4.264) 16.727 10.776 ( 7.144 -0.000 1.246) 7.251 11.149 ( 4.688 -0.000 -9.095) 10.232 11.761 ( 2.219 -0.000 -2.547) 3.377 11.986 ( 8.182 -0.000 8.499) 11.797 12.030 ( -6.566 0.000 10.007) 11.969 12.447 ( 9.266 -0.000 -3.515) 9.911 12.771 ( 3.459 -0.000 -10.226) 10.795 12.887 ( -3.983 0.000 26.922) 27.215 14.130 ( 2.743 -0.000 -14.832) 15.084 14.402 ( 4.464 -0.000 11.739) 12.559 14.905 ( 0.815 -0.000 -4.089) 4.169 15.520 ( -0.375 0.000 -28.622) 28.624 15.794 ( -1.265 0.000 42.507) 42.526 17.177 ( -1.575 0.000 16.689) 16.763 17.290 ( -0.074 0.000 7.754) 7.755 17.401 ( 1.870 -0.000 -8.786) 8.983 17.891 ( -0.020 0.000 -4.855) 4.855 18.149 ( 1.441 -0.000 -11.817) 11.905 18.320 ( -8.387 0.000 -5.837) 10.219 18.638 ( -7.247 0.000 -7.218) 10.228 ======================= Grid point 339 (110/155) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 5.328 -12.977 15.987) 21.269 2.035 ( 27.747 -2.971 7.838) 28.985 2.457 ( 0.546 6.202 3.234) 7.016 2.728 ( 9.642 -5.534 -3.676) 11.709 2.982 ( 1.551 -2.718 -0.813) 3.233 3.345 ( -4.645 18.114 27.236) 33.038 3.510 ( 2.863 -2.287 13.257) 13.754 3.647 ( -2.950 1.662 -10.983) 11.493 4.016 ( 2.392 8.890 -0.007) 9.207 4.080 ( 3.066 9.703 4.898) 11.293 4.168 ( 0.281 3.559 -5.159) 6.274 4.433 ( 2.072 -16.506 19.966) 25.988 4.828 ( 6.091 -10.212 15.471) 19.513 5.118 ( -6.098 4.070 -11.643) 13.759 5.506 ( -8.974 -1.241 0.208) 9.062 5.647 ( -9.464 -7.516 3.621) 12.616 6.144 ( 3.326 16.653 -26.318) 31.321 6.693 ( 0.570 -11.835 -17.909) 21.474 9.240 ( -20.363 -1.905 4.139) 20.867 9.460 ( -24.078 3.382 -2.650) 24.458 9.768 ( 19.704 -2.919 14.301) 24.521 10.311 ( 14.443 0.720 -2.412) 14.661 11.014 ( 6.332 -18.596 1.173) 19.679 11.401 ( 6.176 -20.404 -9.369) 23.286 11.652 ( -2.670 10.291 -4.644) 11.602 11.934 ( -10.827 1.580 8.439) 13.818 12.146 ( 10.719 -7.499 11.003) 17.094 12.547 ( 6.138 -0.614 -9.512) 11.337 12.720 ( 5.374 6.222 0.507) 8.237 12.879 ( -3.741 -2.471 22.117) 22.567 14.085 ( 2.140 7.248 -13.501) 15.472 14.500 ( 5.229 -6.146 13.073) 15.363 14.984 ( 1.552 -6.576 -2.987) 7.388 15.556 ( -0.438 -3.857 -28.417) 28.681 15.797 ( -2.142 -1.949 40.094) 40.199 17.116 ( -1.621 4.845 16.350) 17.130 17.262 ( 0.093 2.689 5.746) 6.345 17.408 ( 1.797 1.403 -7.270) 7.619 17.857 ( -0.507 3.361 -7.130) 7.898 18.106 ( 1.557 6.119 -12.107) 13.655 18.199 ( -8.176 4.612 -5.197) 10.730 18.557 ( -6.479 2.046 -7.036) 9.780 ======================= Grid point 340 (111/155) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 5.161 -15.296 10.571) 19.297 2.276 ( 18.472 1.833 6.521) 19.675 2.340 ( -4.003 1.933 16.531) 17.118 2.874 ( 3.873 -2.804 3.349) 5.837 3.029 ( -3.147 9.008 14.745) 17.563 3.057 ( 4.576 -1.250 -1.672) 5.029 3.562 ( -1.398 1.466 -4.622) 5.047 3.626 ( 1.563 -4.038 4.323) 6.119 3.852 ( 2.157 9.397 -1.637) 9.780 3.897 ( 0.692 12.164 1.095) 12.233 4.094 ( 0.331 4.618 -6.049) 7.618 4.704 ( 1.592 -8.626 6.550) 10.948 4.920 ( -1.047 6.989 -10.883) 12.976 5.061 ( 3.768 -4.387 7.859) 9.758 5.464 ( -6.732 -0.615 -4.393) 8.062 5.800 ( -9.948 -17.362 15.325) 25.205 5.885 ( 4.341 13.117 -18.752) 23.293 6.872 ( 0.004 -7.283 -10.628) 12.884 9.124 ( -19.849 -3.874 1.703) 20.295 9.217 ( -19.300 1.094 -1.875) 19.422 10.005 ( 21.004 -3.160 13.179) 24.997 10.421 ( 13.592 0.132 -0.182) 13.594 11.323 ( -1.488 8.172 -3.467) 9.001 11.569 ( 4.967 -20.013 3.071) 20.848 11.728 ( -9.490 2.698 7.345) 12.300 11.901 ( 8.200 -11.667 -14.165) 20.100 12.407 ( 5.563 -10.119 7.388) 13.709 12.509 ( -5.040 -2.500 -0.239) 5.631 12.813 ( 7.292 -9.923 7.041) 14.185 12.917 ( -2.337 -5.314 14.788) 15.887 13.928 ( 0.310 9.950 -4.606) 10.969 14.702 ( 7.293 -9.274 13.618) 18.018 15.129 ( 2.084 -6.542 -0.750) 6.907 15.618 ( -0.481 -1.864 -24.907) 24.982 15.835 ( -4.706 -5.624 31.326) 32.173 16.990 ( -0.962 6.636 14.349) 15.838 17.208 ( 0.160 2.998 2.615) 3.982 17.371 ( 1.095 3.948 -5.826) 7.122 17.758 ( -2.471 6.401 -14.316) 15.875 17.947 ( 0.410 11.858 -10.549) 15.876 18.055 ( -3.159 4.451 -3.557) 6.515 18.451 ( -4.545 4.340 -7.436) 9.735 ======================= Grid point 341 (112/155) ======================= q-point: ( 0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -4.631 5.096 11.426) 13.341 2.344 ( 1.059 -15.422 5.717) 16.482 2.426 ( 8.716 -1.817 15.656) 18.010 2.864 ( -4.020 -2.199 7.804) 9.050 3.019 ( -0.655 -1.631 -0.107) 1.761 3.093 ( 7.218 1.054 1.825) 7.520 3.502 ( -1.041 2.877 -11.077) 11.492 3.659 ( -0.010 11.588 -2.821) 11.927 3.744 ( 1.559 -4.253 5.549) 7.163 3.752 ( 3.303 4.086 -4.638) 7.008 4.003 ( -1.024 4.997 -4.232) 6.628 4.583 ( 2.067 19.748 -26.375) 33.014 4.901 ( -0.913 -3.875 6.086) 7.272 5.204 ( 3.804 -6.869 7.163) 10.628 5.384 ( -7.538 2.511 -6.921) 10.537 5.683 ( 4.066 10.077 -8.451) 13.766 6.143 ( -4.434 -22.372 21.200) 31.139 6.960 ( -0.148 -2.274 -2.643) 3.490 9.005 ( -18.211 -2.357 1.234) 18.404 9.128 ( -12.650 -5.507 -2.975) 14.114 10.239 ( 20.965 -2.131 10.965) 23.755 10.546 ( 14.252 -0.343 0.411) 14.263 11.093 ( -4.705 8.945 -4.413) 11.028 11.481 ( -11.297 10.724 -6.048) 16.709 11.898 ( 6.689 0.823 4.342) 8.017 12.100 ( 7.682 -6.957 6.430) 12.196 12.512 ( -0.455 -6.360 0.434) 6.391 12.687 ( -4.852 -7.452 9.440) 12.969 13.157 ( 2.220 -21.622 8.669) 23.401 13.185 ( 0.802 -28.443 9.467) 29.988 13.758 ( -0.789 7.617 9.114) 11.904 14.949 ( 8.516 -9.753 11.220) 17.133 15.239 ( 1.646 -3.173 1.007) 3.714 15.556 ( -0.484 9.979 -15.703) 18.612 15.923 ( -7.446 -10.327 19.796) 23.537 16.911 ( 0.268 0.051 5.889) 5.895 17.161 ( 0.153 2.241 -0.251) 2.260 17.290 ( 0.313 5.329 -4.463) 6.958 17.569 ( -4.170 10.515 -20.468) 23.386 17.695 ( 1.606 16.181 -10.892) 19.572 18.002 ( 0.235 0.014 -2.027) 2.041 18.320 ( -2.740 6.356 -7.029) 9.865 ======================= Grid point 342 (113/155) ======================= q-point: ( 0.60 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -10.157 8.970 15.400) 20.513 2.518 ( 4.868 -1.735 0.492) 5.191 2.700 ( 2.062 -18.468 5.200) 19.297 2.920 ( -8.376 -5.810 4.921) 11.319 3.020 ( 4.903 -3.891 3.179) 7.021 3.173 ( 3.527 -2.840 -0.175) 4.531 3.432 ( 1.576 5.422 -7.881) 9.695 3.495 ( -0.699 4.725 -7.080) 8.540 3.706 ( 3.010 3.708 -8.098) 9.401 3.838 ( 0.467 -3.534 0.463) 3.594 3.888 ( -1.942 6.471 -2.933) 7.365 4.172 ( 3.301 25.237 -28.492) 38.205 4.963 ( -3.174 -5.078 4.672) 7.595 5.266 ( -5.753 3.332 -3.694) 7.605 5.357 ( 3.432 -5.569 4.118) 7.730 5.547 ( 3.195 8.656 -1.759) 9.393 6.507 ( -1.567 -19.147 18.280) 26.518 6.953 ( 0.186 2.983 5.018) 5.841 8.926 ( -12.016 -3.453 2.712) 12.793 9.164 ( -8.559 -8.227 -4.884) 12.837 10.441 ( 19.870 -0.356 7.992) 21.420 10.675 ( 15.235 0.377 -0.937) 15.268 10.950 ( -6.036 1.664 -4.687) 7.821 11.189 ( -9.945 9.662 -10.430) 17.351 11.805 ( -2.805 6.718 9.090) 11.646 12.229 ( 9.067 2.732 8.358) 12.631 12.580 ( -8.487 -1.474 7.397) 11.354 12.739 ( 1.826 -5.533 -0.506) 5.848 13.500 ( 0.759 -13.068 20.814) 24.588 13.647 ( -0.870 3.769 22.503) 22.833 13.893 ( 1.046 -42.509 5.837) 42.920 15.150 ( 3.503 8.033 5.123) 10.151 15.227 ( 1.532 10.376 -3.368) 11.016 15.260 ( 0.698 4.959 5.122) 7.163 16.134 ( -6.195 -20.171 5.374) 21.775 17.004 ( 1.300 -6.956 -5.190) 8.776 17.106 ( 0.311 5.059 -2.136) 5.501 17.198 ( -0.118 3.250 -3.514) 4.788 17.329 ( -3.060 11.518 -21.044) 24.184 17.410 ( 1.756 14.574 -11.130) 18.422 18.045 ( 0.911 -3.927 -3.754) 5.509 18.178 ( -1.393 6.810 -5.472) 8.846 ======================= Grid point 343 (114/155) ======================= q-point: (-0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -8.312 10.230 17.131) 21.615 2.517 ( 0.650 4.153 -6.567) 7.797 2.853 ( 0.632 3.433 13.939) 14.369 3.049 ( 0.235 -14.422 1.907) 14.550 3.161 ( 1.531 6.958 1.099) 7.209 3.307 ( 1.931 -5.869 -3.915) 7.315 3.415 ( 1.079 -9.453 -9.993) 13.798 3.448 ( -2.353 -0.779 -8.876) 9.215 3.620 ( 1.010 5.298 -14.170) 15.162 3.740 ( 2.754 6.612 -3.593) 8.013 3.856 ( -0.999 7.228 -17.384) 18.853 3.886 ( -0.366 -1.891 -2.922) 3.500 5.031 ( -2.400 -4.345 3.859) 6.288 5.174 ( -2.616 2.240 -0.067) 3.445 5.352 ( 1.480 9.596 2.583) 10.047 5.522 ( 1.687 -4.926 -0.812) 5.270 6.780 ( -0.371 -7.792 13.015) 15.174 6.867 ( 0.612 3.542 10.954) 11.529 8.919 ( -5.792 -3.970 4.916) 8.572 9.274 ( -4.012 -9.426 -5.948) 11.845 10.595 ( 17.422 1.343 4.541) 18.054 10.786 ( 12.610 3.000 -2.594) 13.219 10.888 ( -7.918 -2.063 -5.096) 9.640 11.017 ( -8.200 -0.817 -9.039) 12.231 11.645 ( -4.979 6.814 8.219) 11.780 12.155 ( 1.976 9.804 -0.269) 10.005 12.510 ( -3.425 1.011 15.102) 15.518 12.885 ( 1.484 -6.968 -0.851) 7.175 13.583 ( -0.431 3.641 29.157) 29.387 13.657 ( 0.435 -4.535 25.846) 26.244 14.566 ( -0.463 38.850 3.527) 39.013 14.661 ( 0.683 -38.498 2.577) 38.591 15.114 ( -0.683 11.686 4.678) 12.606 15.306 ( 1.787 -1.335 4.370) 4.907 16.542 ( -2.319 -26.293 -5.519) 26.966 16.825 ( 1.270 18.857 1.182) 18.937 17.112 ( -0.996 9.006 -18.243) 20.369 17.182 ( -0.422 -0.092 -4.725) 4.745 17.218 ( 0.482 -1.854 -8.104) 8.327 17.293 ( 0.720 -8.159 -12.096) 14.608 18.057 ( -0.485 5.154 -2.769) 5.871 18.155 ( 0.675 -7.092 -6.203) 9.446 ======================= Grid point 344 (115/155) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 0.000 10.319 17.580) 20.385 2.416 ( 0.000 6.202 -12.111) 13.606 2.704 ( 0.000 15.453 14.819) 21.410 2.922 ( 0.000 11.305 1.633) 11.422 3.277 ( 0.000 4.417 -0.620) 4.460 3.316 ( -0.000 -13.408 -0.680) 13.426 3.476 ( -0.000 -4.413 -4.566) 6.349 3.544 ( -0.000 -5.571 -7.342) 9.216 3.577 ( 0.000 8.153 -8.214) 11.573 3.634 ( 0.000 6.236 1.590) 6.436 3.919 ( -0.000 -2.149 -4.755) 5.218 4.127 ( -0.000 -31.217 -22.590) 38.533 5.023 ( 0.000 4.078 5.313) 6.698 5.164 ( 0.000 10.632 6.481) 12.452 5.185 ( -0.000 -4.330 -0.905) 4.424 5.636 ( -0.000 -6.110 -5.835) 8.448 6.645 ( 0.000 12.847 15.395) 20.051 6.967 ( -0.000 -4.630 5.720) 7.359 8.966 ( -0.000 -3.773 7.536) 8.427 9.431 ( -0.000 -9.258 -6.157) 11.118 10.663 ( 0.000 3.612 5.840) 6.867 10.739 ( -0.000 -0.014 -3.738) 3.738 10.966 ( -0.000 -1.113 -2.945) 3.149 11.011 ( -0.000 -3.682 -10.896) 11.501 11.492 ( 0.000 5.323 5.574) 7.707 11.985 ( 0.000 7.328 -8.093) 10.917 12.485 ( 0.000 0.667 19.258) 19.270 12.995 ( -0.000 -3.879 4.046) 5.605 13.441 ( 0.000 14.523 23.170) 27.346 13.719 ( -0.000 -3.080 20.763) 20.990 13.810 ( 0.000 40.784 7.242) 41.422 14.839 ( 0.000 16.015 6.966) 17.464 15.272 ( -0.000 -26.380 -5.295) 26.906 15.291 ( 0.000 3.320 2.852) 4.377 16.485 ( 0.000 17.748 10.597) 20.671 16.861 ( -0.000 -1.946 -8.936) 9.146 17.137 ( -0.000 -19.253 -10.782) 22.067 17.161 ( 0.000 1.024 -3.988) 4.118 17.239 ( -0.000 -2.568 -5.295) 5.885 17.542 ( -0.000 -13.430 -17.061) 21.712 17.996 ( 0.000 0.593 0.725) 0.937 18.310 ( -0.000 -9.113 -8.321) 12.340 ======================= Grid point 349 (116/155) ======================= q-point: ( 0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 6.801 -0.000 19.664) 20.807 2.233 ( 22.020 -0.000 9.949) 24.163 2.537 ( 0.062 -0.000 5.393) 5.393 2.774 ( 14.000 -0.000 -4.542) 14.718 2.974 ( 2.925 -0.000 -4.697) 5.533 3.498 ( 1.965 -0.000 17.879) 17.986 3.529 ( -6.014 0.000 17.272) 18.289 3.654 ( -1.581 0.000 -6.636) 6.821 4.170 ( 2.621 -0.000 -2.405) 3.557 4.189 ( 5.899 -0.000 31.702) 32.246 4.210 ( -0.279 0.000 -1.377) 1.405 4.252 ( 3.668 -0.000 -2.101) 4.227 4.751 ( 5.888 -0.000 22.511) 23.268 5.088 ( -6.937 0.000 -12.515) 14.309 5.370 ( -14.434 0.000 3.103) 14.764 5.519 ( -8.220 0.000 -5.829) 10.077 6.458 ( -0.628 0.000 -22.129) 22.138 6.461 ( 4.473 -0.000 -24.478) 24.883 9.046 ( -18.588 0.000 4.642) 19.159 9.286 ( -22.958 0.000 -2.776) 23.125 9.941 ( 23.623 -0.000 14.896) 27.927 10.461 ( 15.360 -0.000 -2.252) 15.525 10.862 ( 3.236 -0.000 -0.081) 3.237 11.216 ( 3.295 -0.000 -8.646) 9.252 11.724 ( -5.049 0.000 -5.361) 7.364 11.834 ( -14.052 0.000 12.960) 19.116 12.194 ( 13.641 -0.000 13.238) 19.008 12.631 ( 9.020 -0.000 -11.571) 14.671 12.812 ( -4.650 0.000 24.841) 25.272 12.832 ( 4.173 -0.000 -4.789) 6.353 14.186 ( 3.365 -0.000 -18.853) 19.151 14.478 ( 3.999 -0.000 11.752) 12.414 14.922 ( 1.106 -0.000 -3.407) 3.582 15.512 ( -0.411 0.000 -28.583) 28.586 15.772 ( -1.116 0.000 42.735) 42.749 17.144 ( -2.095 0.000 15.956) 16.093 17.289 ( -0.055 0.000 8.066) 8.066 17.443 ( 2.939 -0.000 -7.883) 8.413 17.886 ( -0.796 0.000 -8.352) 8.390 18.162 ( -7.041 0.000 -4.896) 8.576 18.177 ( -0.488 0.000 -12.072) 12.082 18.514 ( -6.459 0.000 -5.448) 8.450 ======================= Grid point 350 (117/155) ======================= q-point: ( 0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 5.529 -11.728 16.603) 21.066 2.358 ( 1.878 0.603 20.375) 20.470 2.515 ( 14.294 6.303 0.046) 15.622 2.895 ( 8.689 -0.987 2.553) 9.110 3.014 ( -0.621 -0.494 -3.527) 3.615 3.312 ( 2.491 14.609 19.887) 24.802 3.541 ( 0.542 -2.342 12.991) 13.212 3.597 ( -2.712 1.221 -6.738) 7.365 4.058 ( 2.235 10.136 -1.987) 10.568 4.126 ( 2.144 11.052 5.100) 12.359 4.172 ( 0.043 3.449 -5.833) 6.776 4.505 ( 6.251 -15.549 15.959) 23.141 4.908 ( 2.700 -6.733 8.216) 10.960 5.044 ( -1.982 -0.870 -5.860) 6.247 5.310 ( -12.624 -7.852 7.487) 16.645 5.475 ( -9.754 -4.307 -3.874) 11.344 6.197 ( 2.483 15.692 -24.119) 28.882 6.707 ( 0.895 -10.900 -17.981) 21.045 8.913 ( -15.748 -1.524 3.509) 16.206 9.083 ( -17.687 1.791 -2.141) 17.906 10.160 ( 22.755 -1.555 13.638) 26.574 10.554 ( 12.612 2.051 0.319) 12.782 11.093 ( 3.126 -21.017 0.846) 21.265 11.457 ( -0.733 -12.780 -2.969) 13.140 11.595 ( -2.822 0.837 -5.999) 6.683 11.714 ( -12.867 -0.970 7.597) 14.974 12.351 ( 11.630 -4.202 14.431) 19.005 12.599 ( 0.794 8.707 -12.132) 14.954 12.805 ( -4.001 -1.507 14.779) 15.385 12.850 ( 7.084 0.135 4.609) 8.453 14.121 ( 1.819 9.027 -16.217) 18.649 14.586 ( 4.422 -7.884 12.222) 15.202 15.013 ( 1.559 -7.281 -2.781) 7.948 15.549 ( -0.372 -3.853 -28.244) 28.508 15.761 ( -1.845 -0.128 40.369) 40.411 17.085 ( -1.719 4.295 15.887) 16.547 17.263 ( 0.035 2.541 6.404) 6.890 17.448 ( 2.689 2.445 -6.490) 7.438 17.836 ( -2.082 4.026 -13.544) 14.282 18.059 ( -6.206 3.647 -0.840) 7.247 18.138 ( 1.078 4.881 -13.314) 14.221 18.457 ( -4.703 0.997 -5.682) 7.443 ======================= Grid point 351 (118/155) ======================= q-point: ( 0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 3.227 -15.520 10.533) 19.032 2.254 ( -3.202 7.515 17.833) 19.615 2.530 ( 9.283 5.380 16.015) 19.277 2.855 ( -6.580 5.599 9.171) 12.600 3.008 ( 4.853 -1.787 0.032) 5.172 3.218 ( 8.676 4.915 3.945) 10.724 3.522 ( -2.771 1.081 -9.257) 9.723 3.651 ( 0.979 -5.484 9.972) 11.423 3.880 ( 0.735 11.022 -4.603) 11.967 3.912 ( 1.322 11.026 1.636) 11.224 4.091 ( -0.651 5.099 -5.304) 7.386 4.758 ( 4.733 -3.864 -3.166) 6.882 4.916 ( -0.578 4.170 -11.185) 11.951 5.101 ( 0.811 -5.562 8.345) 10.061 5.346 ( -5.714 -0.448 -6.887) 8.961 5.637 ( -7.842 -22.224 22.212) 32.385 5.951 ( 2.878 12.194 -17.183) 21.266 6.874 ( 0.185 -6.791 -10.815) 12.771 8.821 ( -12.935 -2.153 2.247) 13.304 8.954 ( -10.658 -1.891 -2.549) 11.121 10.386 ( 20.282 -2.307 11.232) 23.299 10.642 ( 10.770 -0.721 2.169) 11.010 11.241 ( -6.641 11.619 0.078) 13.383 11.504 ( -12.513 4.983 5.978) 14.736 11.653 ( 3.092 -29.583 4.826) 30.133 12.061 ( 8.754 -18.406 -9.901) 22.659 12.398 ( -6.708 3.429 -6.542) 9.977 12.512 ( 5.185 -2.741 13.917) 15.102 12.864 ( -1.782 -10.146 9.423) 13.961 12.934 ( 4.321 -4.591 6.822) 9.290 13.932 ( 0.135 11.208 -5.497) 12.484 14.816 ( 5.223 -11.539 11.690) 17.237 15.164 ( 1.709 -6.672 -1.382) 7.025 15.613 ( -0.030 -1.897 -23.924) 23.999 15.755 ( -4.003 -2.547 31.776) 32.128 16.974 ( -0.771 5.724 14.517) 15.624 17.210 ( 0.091 2.941 3.176) 4.329 17.395 ( 1.466 5.128 -4.813) 7.184 17.703 ( -3.412 7.708 -20.749) 22.396 17.930 ( -1.330 7.754 -0.836) 7.911 18.041 ( 0.541 4.855 -10.396) 11.486 18.387 ( -2.601 3.365 -6.535) 7.797 ======================= Grid point 352 (119/155) ======================= q-point: ( 0.60 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -2.978 10.405 17.051) 20.196 2.362 ( 0.747 -14.986 2.637) 15.235 2.533 ( 4.019 -3.160 17.161) 17.907 2.760 ( -5.655 -0.613 5.002) 7.575 3.069 ( 3.374 0.260 2.481) 4.196 3.195 ( 3.313 2.360 3.808) 5.572 3.485 ( -0.681 1.672 -12.233) 12.366 3.659 ( -0.002 11.218 -2.944) 11.598 3.761 ( 0.503 -5.128 5.658) 7.653 3.799 ( 1.709 4.455 -5.722) 7.450 3.982 ( -1.000 5.754 -3.652) 6.888 4.631 ( 2.403 19.333 -29.597) 35.433 4.880 ( -1.108 -1.686 2.884) 3.520 5.250 ( 1.342 -7.929 8.048) 11.377 5.275 ( -3.843 2.210 -6.754) 8.079 5.731 ( 1.337 8.405 -5.484) 10.124 6.090 ( -1.516 -23.529 21.461) 31.883 6.959 ( 0.006 -2.254 -2.759) 3.563 8.780 ( -6.851 -3.117 2.281) 7.865 8.964 ( -5.122 -6.335 -3.927) 9.044 10.585 ( 15.546 -2.045 8.234) 17.710 10.762 ( 9.008 -2.673 2.084) 9.624 10.984 ( -6.821 8.728 -0.692) 11.098 11.265 ( -10.531 9.189 -0.686) 13.993 11.995 ( 3.411 12.510 -0.764) 12.990 12.198 ( 3.181 -18.068 9.195) 20.521 12.495 ( -0.983 1.596 7.378) 7.613 12.621 ( -2.339 -10.995 -2.122) 11.440 13.185 ( 0.840 -21.997 8.022) 23.429 13.200 ( 0.581 -26.839 10.325) 28.763 13.748 ( -0.326 8.071 9.310) 12.326 15.066 ( 3.907 -10.318 10.260) 15.067 15.266 ( 1.094 -2.600 -0.445) 2.855 15.554 ( 0.193 10.461 -14.276) 17.699 15.812 ( -4.213 -9.189 20.091) 22.490 16.914 ( 0.064 -0.912 6.377) 6.442 17.164 ( 0.103 2.193 0.286) 2.214 17.297 ( 0.350 6.071 -3.522) 7.027 17.509 ( -2.103 10.315 -23.225) 25.500 17.715 ( 0.548 15.013 -9.190) 17.611 18.008 ( 0.299 -0.569 -4.043) 4.094 18.286 ( -1.000 5.784 -6.477) 8.741 ======================= Grid point 353 (120/155) ======================= q-point: (-0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 0.000 11.544 17.375) 20.860 2.548 ( -0.000 -3.166 -4.884) 5.820 2.764 ( -0.000 -14.778 7.697) 16.663 2.802 ( -0.000 -9.933 6.092) 11.653 3.071 ( -0.000 -2.500 3.867) 4.604 3.209 ( -0.000 -1.235 1.729) 2.124 3.447 ( 0.000 1.851 -11.429) 11.578 3.488 ( 0.000 7.293 -4.392) 8.514 3.736 ( 0.000 4.243 -9.217) 10.147 3.840 ( -0.000 -2.815 0.772) 2.919 3.869 ( 0.000 5.724 -2.208) 6.135 4.206 ( 0.000 25.500 -29.835) 39.247 4.932 ( -0.000 -4.416 4.193) 6.090 5.211 ( 0.000 2.742 -3.191) 4.208 5.388 ( -0.000 -5.824 4.174) 7.165 5.576 ( 0.000 8.858 -1.624) 9.005 6.493 ( -0.000 -19.784 18.581) 27.141 6.955 ( 0.000 2.737 4.943) 5.650 8.818 ( -0.000 -4.021 3.272) 5.184 9.084 ( -0.000 -8.815 -5.200) 10.235 10.704 ( -0.000 -1.338 5.990) 6.137 10.828 ( 0.000 3.341 -2.016) 3.902 10.875 ( -0.000 -3.632 1.051) 3.780 11.022 ( 0.000 9.853 -8.318) 12.894 11.782 ( 0.000 10.098 5.589) 11.541 12.355 ( 0.000 9.213 3.152) 9.737 12.455 ( -0.000 -5.861 13.351) 14.580 12.758 ( -0.000 -6.967 -2.337) 7.349 13.507 ( -0.000 -12.981 20.496) 24.261 13.639 ( 0.000 3.837 22.832) 23.152 13.903 ( -0.000 -42.610 5.778) 43.000 15.170 ( 0.000 19.873 -0.283) 19.875 15.247 ( 0.000 4.410 4.789) 6.510 15.276 ( 0.000 1.482 2.969) 3.318 16.073 ( -0.000 -21.284 4.677) 21.792 17.015 ( -0.000 -7.799 -4.785) 9.150 17.109 ( 0.000 4.987 -1.158) 5.120 17.197 ( 0.000 3.409 -3.361) 4.787 17.300 ( 0.000 11.169 -22.505) 25.124 17.426 ( 0.000 14.690 -10.967) 18.332 18.054 ( -0.000 -4.097 -4.345) 5.972 18.166 ( 0.000 6.571 -5.205) 8.383 ======================= Grid point 360 (121/155) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 5.151 -0.000 19.465) 20.135 2.367 ( -1.360 0.000 22.984) 23.024 2.710 ( 14.958 -0.000 -4.828) 15.718 2.968 ( 7.636 -0.000 6.452) 9.997 3.011 ( 0.092 -0.000 -4.996) 4.996 3.452 ( -2.354 0.000 4.184) 4.800 3.523 ( 0.953 -0.000 18.064) 18.089 3.627 ( -1.539 0.000 4.447) 4.706 4.201 ( -0.177 0.000 -6.291) 6.294 4.221 ( 2.253 -0.000 -0.256) 2.267 4.288 ( 2.925 -0.000 7.376) 7.935 4.347 ( 9.059 -0.000 18.502) 20.601 4.833 ( 3.462 -0.000 23.264) 23.520 4.984 ( -4.975 0.000 -10.688) 11.789 5.108 ( -14.182 0.000 2.496) 14.400 5.382 ( -6.722 0.000 -10.664) 12.606 6.450 ( -0.322 0.000 -20.970) 20.972 6.525 ( 2.670 -0.000 -24.388) 24.534 8.791 ( -10.276 0.000 4.087) 11.059 8.966 ( -13.027 0.000 -1.505) 13.114 10.331 ( 19.316 -0.000 12.713) 23.124 10.689 ( 9.964 -0.000 0.966) 10.010 10.902 ( 1.664 -0.000 -1.073) 1.980 11.269 ( 3.020 -0.000 -6.908) 7.539 11.576 ( -14.667 0.000 14.948) 20.942 11.620 ( -5.845 0.000 -4.934) 7.649 12.420 ( 11.694 -0.000 16.520) 20.240 12.723 ( -5.731 0.000 21.050) 21.816 12.724 ( 2.326 -0.000 -16.980) 17.138 12.920 ( 4.845 -0.000 -0.407) 4.862 14.236 ( 2.132 -0.000 -22.294) 22.396 14.536 ( 2.488 -0.000 12.027) 12.281 14.940 ( 0.829 -0.000 -2.806) 2.926 15.506 ( -0.273 0.000 -28.571) 28.573 15.757 ( -0.599 0.000 42.766) 42.770 17.110 ( -1.588 0.000 15.229) 15.312 17.288 ( -0.037 0.000 8.221) 8.221 17.499 ( 3.295 -0.000 -5.842) 6.707 17.855 ( -2.844 0.000 -17.220) 17.453 18.040 ( -4.659 0.000 1.447) 4.878 18.192 ( 0.726 -0.000 -13.177) 13.197 18.425 ( -3.598 0.000 -4.259) 5.576 ======================= Grid point 361 (122/155) ======================= q-point: ( 0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 2.402 -10.525 16.360) 19.601 2.330 ( -1.529 2.879 22.731) 22.964 2.760 ( 11.448 6.840 1.750) 13.450 2.924 ( -6.968 7.547 9.667) 14.105 3.025 ( 3.832 -0.893 2.495) 4.659 3.409 ( 6.679 5.829 3.890) 9.681 3.509 ( -4.245 3.272 -0.076) 5.360 3.570 ( -0.400 -3.254 13.080) 13.485 4.089 ( 1.166 10.927 -3.946) 11.676 4.153 ( 0.948 12.430 4.763) 13.345 4.168 ( -0.439 3.802 -5.363) 6.589 4.638 ( 7.544 -14.639 9.944) 19.238 4.910 ( -2.629 -0.543 -2.278) 3.521 5.032 ( -0.558 -3.766 -1.885) 4.249 5.127 ( -5.550 -19.108 22.537) 30.064 5.334 ( -5.190 -0.309 -10.973) 12.142 6.226 ( 0.873 14.689 -22.832) 27.163 6.720 ( 0.443 -10.175 -18.143) 20.806 8.720 ( -5.849 -0.038 3.396) 6.764 8.871 ( -6.247 0.529 -1.720) 6.501 10.488 ( 12.044 -1.996 10.298) 15.971 10.724 ( 6.054 1.909 2.719) 6.905 11.132 ( 1.351 -22.563 0.874) 22.620 11.369 ( -6.625 5.092 13.393) 15.786 11.518 ( -5.101 5.338 -0.002) 7.383 11.602 ( -0.175 -24.460 -9.594) 26.275 12.516 ( 5.761 1.480 19.215) 20.115 12.617 ( 2.772 8.123 -10.860) 13.842 12.715 ( -5.801 -2.664 10.101) 11.950 12.947 ( 3.055 0.385 1.453) 3.405 14.143 ( 0.661 10.185 -17.724) 20.453 14.643 ( 1.805 -9.252 11.537) 14.899 15.033 ( 0.664 -7.801 -2.655) 8.267 15.544 ( -0.145 -3.895 -28.148) 28.417 15.737 ( -0.745 1.374 40.524) 40.554 17.062 ( -0.762 3.903 15.514) 16.015 17.263 ( 0.004 2.466 6.666) 7.107 17.492 ( 1.853 3.436 -4.185) 5.723 17.790 ( -2.331 4.279 -21.963) 22.497 17.989 ( -1.763 2.252 4.384) 5.235 18.153 ( 0.458 4.724 -13.842) 14.633 18.400 ( -1.668 0.449 -4.953) 5.245 ======================= Grid point 362 (123/155) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -0.000 -14.367 10.893) 18.030 2.230 ( 0.000 7.050 18.509) 19.806 2.627 ( 0.000 11.061 28.414) 30.492 2.766 ( 0.000 3.170 -2.624) 4.115 3.067 ( -0.000 -1.521 0.955) 1.796 3.306 ( 0.000 7.142 5.987) 9.319 3.488 ( -0.000 -0.816 -11.082) 11.112 3.659 ( -0.000 -5.748 10.898) 12.321 3.884 ( 0.000 12.462 -3.938) 13.069 3.928 ( 0.000 9.664 -0.053) 9.664 4.082 ( 0.000 5.376 -4.907) 7.279 4.847 ( 0.000 0.478 -19.207) 19.213 4.870 ( 0.000 0.809 0.044) 0.810 5.109 ( -0.000 -6.416 8.720) 10.826 5.291 ( 0.000 1.463 -10.268) 10.372 5.563 ( -0.000 -25.743 27.717) 37.828 5.977 ( 0.000 11.714 -16.687) 20.388 6.876 ( -0.000 -6.588 -10.893) 12.730 8.705 ( -0.000 -1.573 2.587) 3.028 8.859 ( -0.000 -2.503 -2.830) 3.778 10.599 ( -0.000 -3.599 8.150) 8.910 10.752 ( -0.000 -1.727 3.474) 3.880 11.154 ( 0.000 11.983 6.035) 13.417 11.371 ( 0.000 7.375 4.287) 8.530 11.681 ( -0.000 -32.904 4.781) 33.250 12.166 ( -0.000 -31.782 -8.553) 32.913 12.310 ( 0.000 16.589 -7.029) 18.016 12.563 ( 0.000 3.016 15.891) 16.174 12.843 ( -0.000 -13.068 6.186) 14.458 12.975 ( -0.000 -3.617 6.017) 7.021 13.933 ( 0.000 11.690 -5.795) 13.047 14.865 ( -0.000 -12.682 10.801) 16.658 15.181 ( -0.000 -6.915 -1.913) 7.175 15.614 ( -0.000 -2.299 -24.549) 24.657 15.716 ( -0.000 -0.503 33.379) 33.382 16.967 ( 0.000 5.338 14.581) 15.528 17.211 ( 0.000 2.899 3.363) 4.440 17.411 ( 0.000 5.818 -3.483) 6.781 17.667 ( 0.000 7.777 -23.743) 24.984 17.918 ( 0.000 6.107 1.729) 6.347 18.048 ( 0.000 5.311 -12.257) 13.358 18.364 ( 0.000 3.033 -6.213) 6.914 ======================= Grid point 373 (124/155) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 0.000 -0.000 19.205) 19.205 2.347 ( 0.000 -0.000 24.178) 24.178 2.882 ( 0.000 -0.000 -13.327) 13.327 2.978 ( -0.000 0.000 4.788) 4.788 3.032 ( -0.000 0.000 14.572) 14.572 3.439 ( 0.000 -0.000 -9.164) 9.164 3.532 ( 0.000 -0.000 17.278) 17.278 3.610 ( 0.000 -0.000 13.496) 13.496 4.197 ( 0.000 -0.000 -6.053) 6.053 4.244 ( 0.000 -0.000 -1.458) 1.458 4.310 ( 0.000 -0.000 0.633) 0.633 4.467 ( -0.000 0.000 24.823) 24.823 4.865 ( 0.000 -0.000 23.856) 23.856 4.904 ( 0.000 -0.000 -2.756) 2.756 4.982 ( 0.000 -0.000 -6.525) 6.525 5.317 ( 0.000 -0.000 -13.263) 13.263 6.447 ( 0.000 -0.000 -20.548) 20.548 6.548 ( 0.000 -0.000 -24.361) 24.361 8.700 ( 0.000 -0.000 3.864) 3.864 8.851 ( 0.000 -0.000 -1.020) 1.020 10.524 ( 0.000 -0.000 10.000) 10.000 10.780 ( 0.000 -0.000 3.071) 3.071 10.920 ( 0.000 -0.000 -1.939) 1.939 11.327 ( 0.000 -0.000 -10.216) 10.216 11.393 ( -0.000 0.000 21.537) 21.537 11.561 ( 0.000 -0.000 -4.871) 4.871 12.573 ( 0.000 -0.000 27.515) 27.515 12.623 ( -0.000 0.000 9.859) 9.859 12.741 ( -0.000 0.000 -17.483) 17.483 12.966 ( 0.000 -0.000 -0.265) 0.265 14.255 ( 0.000 -0.000 -23.431) 23.431 14.558 ( 0.000 -0.000 11.999) 11.999 14.948 ( -0.000 0.000 -2.563) 2.563 15.504 ( 0.000 -0.000 -28.572) 28.572 15.752 ( 0.000 -0.000 42.743) 42.743 17.095 ( 0.000 -0.000 14.911) 14.911 17.288 ( 0.000 -0.000 8.256) 8.256 17.535 ( -0.000 0.000 -3.528) 3.528 17.818 ( 0.000 -0.000 -23.218) 23.218 18.003 ( 0.000 -0.000 4.698) 4.698 18.199 ( 0.000 -0.000 -13.362) 13.362 18.393 ( 0.000 -0.000 -3.844) 3.844 ======================= Grid point 420 (125/155) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 0.000 0.000 19.750) 19.750 1.678 ( 0.000 0.000 -21.924) 21.924 1.857 ( 0.000 0.000 19.058) 19.058 2.226 ( 0.000 0.000 -16.809) 16.809 3.408 ( 0.000 0.000 8.366) 8.366 3.439 ( 0.000 0.000 8.035) 8.035 3.556 ( 0.000 0.000 -6.997) 6.997 3.621 ( 0.000 0.000 -9.286) 9.286 4.153 ( 0.000 0.000 1.468) 1.468 4.172 ( 0.000 0.000 -0.750) 0.750 4.751 ( 0.000 0.000 16.511) 16.511 4.823 ( 0.000 0.000 30.451) 30.451 4.852 ( 0.000 0.000 34.934) 34.934 5.081 ( 0.000 0.000 -15.534) 15.534 5.566 ( 0.000 0.000 -20.971) 20.971 5.646 ( 0.000 0.000 -19.254) 19.254 5.952 ( 0.000 0.000 -3.100) 3.100 6.030 ( 0.000 0.000 -12.492) 12.492 9.451 ( 0.000 0.000 13.523) 13.523 9.690 ( 0.000 0.000 -9.618) 9.618 10.195 ( 0.000 0.000 3.891) 3.891 10.311 ( 0.000 0.000 -7.427) 7.427 10.580 ( 0.000 0.000 9.888) 9.888 10.770 ( 0.000 0.000 -8.611) 8.611 11.765 ( 0.000 0.000 10.271) 10.271 11.908 ( 0.000 0.000 -2.230) 2.230 11.954 ( 0.000 0.000 4.392) 4.392 12.188 ( 0.000 0.000 -19.152) 19.152 12.886 ( 0.000 0.000 19.161) 19.161 13.207 ( 0.000 0.000 -8.295) 8.295 14.202 ( 0.000 0.000 26.509) 26.509 14.561 ( 0.000 0.000 11.249) 11.249 14.759 ( 0.000 0.000 -8.139) 8.139 14.874 ( 0.000 0.000 -34.411) 34.411 16.600 ( 0.000 0.000 32.661) 32.661 17.110 ( 0.000 0.000 -17.510) 17.510 17.473 ( 0.000 0.000 10.618) 10.618 17.548 ( 0.000 0.000 16.273) 16.273 17.720 ( 0.000 0.000 -12.266) 12.266 17.860 ( 0.000 0.000 -14.108) 14.108 18.460 ( 0.000 0.000 3.498) 3.498 18.596 ( 0.000 0.000 -8.863) 8.863 ======================= Grid point 421 (126/155) ======================= q-point: ( 0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 11.594 -4.680 17.979) 21.899 1.732 ( 4.377 -4.152 -18.105) 19.084 2.031 ( 4.793 -14.454 14.598) 21.095 2.340 ( 1.864 -10.607 -14.140) 17.774 3.344 ( -7.077 0.964 8.418) 11.039 3.491 ( 4.463 0.795 4.192) 6.174 3.512 ( -0.638 1.834 -4.410) 4.818 3.636 ( 3.365 1.041 -6.718) 7.586 4.056 ( -0.082 9.297 3.213) 9.836 4.106 ( -0.361 6.547 -2.047) 6.869 4.464 ( -3.629 20.656 34.939) 40.750 4.826 ( -0.020 -5.498 14.089) 15.124 5.011 ( -1.714 -0.512 1.729) 2.488 5.104 ( -0.024 -3.201 -1.235) 3.431 5.343 ( 4.735 18.499 -17.865) 26.150 5.580 ( -1.711 3.627 -18.154) 18.592 6.048 ( -1.804 -14.922 10.552) 18.365 6.320 ( -0.534 -19.164 -16.457) 25.266 9.447 ( 5.442 3.191 13.056) 14.500 9.680 ( 4.767 3.727 -9.500) 11.263 10.229 ( -19.139 -11.040 4.915) 22.635 10.340 ( -19.305 -9.207 -5.702) 22.135 10.695 ( 15.170 -7.156 6.878) 18.128 10.853 ( 12.424 -4.959 -8.048) 15.611 11.732 ( 0.101 7.568 7.854) 10.908 11.905 ( 2.322 2.275 -4.515) 5.564 12.087 ( 2.778 -10.456 1.418) 10.911 12.192 ( 0.535 -8.580 -11.742) 14.553 12.874 ( -0.350 1.155 18.103) 18.143 13.181 ( -1.168 2.184 -8.559) 8.910 14.216 ( -0.022 -1.518 28.475) 28.516 14.638 ( 0.989 -7.159 11.711) 13.761 14.835 ( 0.107 -7.290 -8.517) 11.212 14.911 ( 0.455 -3.883 -34.008) 34.232 16.600 ( -0.309 -0.260 31.999) 32.002 17.101 ( 0.299 1.126 -16.726) 16.767 17.442 ( -0.592 3.131 9.373) 9.900 17.488 ( 0.173 6.450 15.979) 17.232 17.678 ( -0.608 4.291 -12.543) 13.270 17.798 ( 0.347 6.868 -14.078) 15.668 18.397 ( -2.101 5.457 4.087) 7.134 18.542 ( -1.909 4.672 -9.138) 10.439 ======================= Grid point 422 (127/155) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 17.601 -7.318 14.464) 23.928 1.895 ( 8.773 -6.723 -13.902) 17.760 2.387 ( 4.358 -18.040 10.980) 21.564 2.594 ( 1.643 -13.637 -7.856) 15.823 3.266 ( -6.395 0.799 6.569) 9.203 3.404 ( -2.674 5.154 -4.215) 7.175 3.558 ( 4.911 0.427 3.579) 6.092 3.614 ( 1.792 4.301 -0.042) 4.660 3.860 ( -0.652 10.473 4.546) 11.435 3.959 ( -0.167 8.020 -4.982) 9.442 4.059 ( -2.207 19.190 25.453) 31.953 4.654 ( -8.105 22.466 -27.028) 36.069 5.001 ( 4.368 -4.644 9.534) 11.469 5.170 ( -0.050 -2.811 14.162) 14.439 5.233 ( 7.065 2.058 -8.933) 11.573 5.509 ( -3.270 1.906 -15.085) 15.553 6.351 ( -2.555 -18.453 14.725) 23.746 6.640 ( -1.034 -15.840 -13.239) 20.670 9.424 ( 7.542 5.525 11.125) 14.532 9.625 ( 4.436 6.726 -8.377) 11.623 10.234 ( -23.488 -10.468 4.021) 26.028 10.302 ( -22.001 -7.575 -2.612) 23.415 11.036 ( 18.233 -8.204 4.113) 20.413 11.142 ( 19.399 -6.397 -5.657) 21.196 11.579 ( 0.617 3.987 3.359) 5.250 11.743 ( -0.439 10.509 -12.122) 16.049 12.459 ( 2.137 -27.158 6.430) 27.990 12.577 ( 1.302 -28.022 -5.153) 28.522 12.841 ( -0.581 1.343 15.486) 15.555 13.111 ( -1.899 3.702 -8.800) 9.734 14.255 ( -0.596 -2.885 32.497) 32.631 14.804 ( 1.509 -8.604 11.064) 14.097 14.967 ( -1.024 -6.457 -22.630) 23.556 15.038 ( 2.749 -7.987 -17.146) 19.114 16.605 ( -1.400 -1.067 29.580) 29.632 17.077 ( 0.212 1.589 -14.986) 15.072 17.314 ( 0.051 11.709 14.760) 18.841 17.357 ( -0.606 5.938 6.133) 8.558 17.555 ( -1.700 7.903 -13.521) 15.753 17.616 ( 1.015 13.409 -13.908) 19.345 18.249 ( -2.808 7.521 5.555) 9.763 18.409 ( -2.646 7.081 -9.448) 12.100 ======================= Grid point 423 (128/155) ======================= q-point: ( 0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 18.997 -7.947 11.227) 23.454 2.113 ( 9.583 -7.911 -8.723) 15.182 2.723 ( 2.051 -14.969 8.880) 17.525 2.814 ( -1.315 -9.073 0.710) 9.195 3.218 ( -5.855 -1.488 0.705) 6.082 3.270 ( -2.645 6.589 1.043) 7.176 3.447 ( -4.693 8.430 6.388) 11.571 3.567 ( 3.259 6.520 -2.468) 7.696 3.669 ( -0.399 11.961 4.189) 12.680 3.789 ( 1.564 4.828 5.843) 7.739 3.869 ( 1.482 4.013 -5.225) 6.753 4.132 ( -4.834 25.663 -24.516) 35.819 5.128 ( 4.094 -4.535 8.632) 10.575 5.212 ( -1.049 -2.648 10.679) 11.052 5.277 ( 6.982 0.906 -6.544) 9.612 5.449 ( -4.535 1.032 -11.528) 12.431 6.646 ( -2.513 -15.561 13.885) 21.006 6.872 ( -1.274 -10.340 -8.057) 13.170 9.379 ( 6.301 5.598 7.581) 11.337 9.519 ( 0.363 6.638 -5.978) 8.940 10.230 ( -17.110 -8.516 2.410) 19.264 10.264 ( -13.646 -5.422 -0.955) 14.715 11.072 ( 4.711 10.336 3.412) 11.860 11.222 ( 7.167 11.685 -10.297) 17.144 11.727 ( 13.122 -8.262 1.396) 15.569 11.768 ( 8.079 -10.582 -3.385) 13.737 12.764 ( -3.592 0.733 12.306) 12.840 12.956 ( -5.089 -4.524 -4.123) 7.960 13.150 ( 3.287 -28.823 2.814) 29.146 13.223 ( 1.318 -36.344 -2.289) 36.440 14.304 ( -1.257 -2.971 35.362) 35.509 14.946 ( 0.384 -5.372 -1.341) 5.550 15.058 ( 1.347 -2.907 -14.983) 15.322 15.196 ( 2.670 -5.643 -7.994) 10.143 16.612 ( -3.773 -2.010 24.335) 24.708 17.038 ( -0.814 4.300 -9.867) 10.794 17.080 ( 1.340 11.755 7.470) 13.992 17.240 ( -0.817 5.544 1.584) 5.824 17.332 ( 2.143 17.727 -12.942) 22.053 17.370 ( -2.529 10.152 -12.765) 16.505 18.104 ( -1.883 5.421 5.751) 8.124 18.254 ( -2.302 7.128 -8.581) 11.391 ======================= Grid point 424 (129/155) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 16.561 -6.509 8.971) 19.928 2.328 ( 5.820 -6.952 -3.342) 9.663 2.891 ( -4.725 -3.888 6.187) 8.702 2.975 ( -0.668 -10.839 1.179) 10.924 3.105 ( -4.355 4.818 6.303) 9.050 3.231 ( -4.547 -1.175 -0.173) 4.700 3.290 ( -2.596 3.048 -2.812) 4.892 3.430 ( -0.202 7.659 -2.138) 7.954 3.477 ( 2.502 8.498 -3.711) 9.604 3.596 ( -1.904 21.510 -20.144) 29.531 3.818 ( 2.416 -0.972 2.706) 3.755 3.876 ( 0.885 1.832 -2.907) 3.549 5.229 ( 0.541 -3.989 6.563) 7.699 5.254 ( 1.612 -1.687 4.581) 5.141 5.307 ( 6.498 2.230 -2.639) 7.360 5.392 ( -5.478 0.460 -6.932) 8.847 6.867 ( -1.643 -10.224 9.998) 14.394 6.991 ( -0.877 -3.557 -2.063) 4.205 9.340 ( 4.446 3.431 3.465) 6.599 9.408 ( -2.559 3.924 -3.179) 5.661 10.246 ( -9.357 -5.557 1.566) 10.995 10.260 ( -4.294 -2.337 0.189) 4.892 10.932 ( 0.666 5.664 -0.115) 5.704 11.027 ( 1.299 10.510 -9.100) 13.963 11.977 ( 11.239 -5.691 3.911) 13.191 12.022 ( 6.356 -7.293 -0.410) 9.683 12.724 ( -1.949 0.042 7.590) 7.836 12.862 ( -4.573 4.434 -5.393) 8.346 13.813 ( 1.137 -30.848 10.929) 32.746 13.919 ( 1.001 -38.127 0.281) 38.141 14.323 ( -1.378 0.509 34.295) 34.327 14.941 ( -1.563 8.776 -23.635) 25.260 15.116 ( 3.990 -2.865 9.747) 10.915 15.271 ( 1.070 -0.380 -3.961) 4.121 16.608 ( -6.218 -2.766 14.203) 15.750 16.868 ( 2.143 10.011 -0.869) 10.274 16.944 ( 0.243 8.903 -8.874) 12.573 17.069 ( 1.597 10.240 -12.956) 16.591 17.156 ( -0.514 2.819 -1.233) 3.119 17.189 ( -1.311 6.017 -5.003) 7.934 18.028 ( -0.518 1.545 2.803) 3.242 18.119 ( -1.526 5.418 -5.892) 8.148 ======================= Grid point 425 (130/155) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -7.136 0.387 5.005) 8.725 2.388 ( 7.136 -0.387 5.005) 8.725 2.947 ( 2.238 -3.896 -1.743) 4.819 2.947 ( -2.238 3.896 -1.743) 4.819 3.212 ( -1.727 -7.828 3.833) 8.886 3.212 ( 1.727 7.828 3.833) 8.886 3.245 ( -1.279 -8.704 -5.481) 10.365 3.245 ( 1.279 8.704 -5.481) 10.365 3.397 ( -2.355 -3.889 -7.994) 9.197 3.397 ( 2.355 3.889 -7.994) 9.197 3.855 ( 0.593 -1.198 -0.435) 1.406 3.855 ( -0.593 1.198 -0.435) 1.406 5.276 ( -5.769 -3.713 3.249) 7.591 5.276 ( 5.769 3.713 3.249) 7.591 5.336 ( -6.055 0.026 -2.396) 6.511 5.336 ( 6.055 -0.026 -2.396) 6.512 6.987 ( -0.341 -3.619 4.271) 5.609 6.987 ( 0.341 3.619 4.271) 5.609 9.342 ( -3.546 0.095 -0.166) 3.552 9.342 ( 3.547 -0.095 -0.166) 3.552 10.262 ( -2.695 -1.665 1.046) 3.336 10.262 ( 2.695 1.665 1.046) 3.336 10.906 ( -0.200 -2.793 -4.794) 5.552 10.906 ( 0.200 2.793 -4.794) 5.552 12.101 ( -3.624 -0.387 3.182) 4.838 12.101 ( 3.624 0.386 3.182) 4.838 12.754 ( 2.271 -3.176 -0.101) 3.906 12.754 ( -2.271 3.176 -0.101) 3.906 14.211 ( 0.880 -11.934 26.025) 28.644 14.211 ( -0.880 11.934 26.025) 28.644 14.573 ( 1.199 -28.919 -8.613) 30.199 14.573 ( -1.199 28.919 -8.613) 30.199 15.224 ( 1.646 -4.665 0.255) 4.954 15.224 ( -1.646 4.665 0.255) 4.954 16.669 ( -4.411 -10.361 -0.624) 11.278 16.669 ( 4.411 10.361 -0.624) 11.278 16.930 ( 2.171 -3.807 -8.503) 9.566 16.930 ( -2.171 3.807 -8.503) 9.566 17.134 ( -0.175 -0.682 -1.896) 2.023 17.134 ( 0.175 0.682 -1.896) 2.023 18.037 ( 0.603 -2.336 -1.734) 2.971 18.037 ( -0.603 2.336 -1.734) 2.971 ======================= Grid point 432 (131/155) ======================= q-point: ( 0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 21.116 -0.000 15.083) 25.949 1.721 ( 4.732 -0.000 -2.551) 5.376 1.985 ( 13.886 -0.000 3.000) 14.206 2.264 ( 4.275 -0.000 -15.861) 16.427 3.285 ( -7.627 0.000 10.063) 12.626 3.496 ( -4.356 0.000 -10.605) 11.465 3.561 ( 7.495 -0.000 7.282) 10.450 3.689 ( 5.252 -0.000 -5.470) 7.583 4.157 ( 0.453 -0.000 0.758) 0.884 4.166 ( -0.809 0.000 -0.377) 0.893 4.608 ( -9.434 0.000 20.799) 22.838 4.817 ( -3.854 0.000 25.173) 25.466 4.965 ( 9.389 -0.000 25.076) 26.776 5.058 ( -2.271 0.000 -6.227) 6.628 5.601 ( 3.152 -0.000 -18.338) 18.607 5.617 ( -3.408 0.000 -17.210) 17.544 5.924 ( -2.901 0.000 -5.122) 5.886 6.018 ( -1.215 0.000 -14.492) 14.542 9.555 ( 11.584 -0.000 13.366) 17.687 9.788 ( 10.316 -0.000 -9.155) 13.792 9.946 ( -21.401 0.000 5.354) 22.060 10.071 ( -22.307 0.000 -6.800) 23.321 10.714 ( 9.433 -0.000 7.005) 11.749 10.871 ( 7.376 -0.000 -8.121) 10.970 11.812 ( 3.345 -0.000 11.109) 11.602 11.980 ( 4.453 -0.000 3.826) 5.871 12.009 ( 10.444 -0.000 -2.245) 10.682 12.157 ( -3.380 0.000 -18.204) 18.515 12.883 ( -0.293 0.000 17.612) 17.614 13.186 ( -2.337 0.000 -7.688) 8.035 14.205 ( 0.293 -0.000 26.014) 26.016 14.579 ( 1.994 -0.000 10.807) 10.989 14.765 ( 0.674 -0.000 -8.526) 8.552 14.875 ( 0.153 -0.000 -33.603) 33.603 16.597 ( -0.318 0.000 33.060) 33.061 17.116 ( 0.734 -0.000 -17.825) 17.841 17.464 ( -1.064 0.000 10.525) 10.579 17.549 ( 0.143 -0.000 16.310) 16.310 17.711 ( -1.123 0.000 -12.622) 12.672 17.864 ( 0.517 -0.000 -14.311) 14.321 18.421 ( -4.338 0.000 3.895) 5.830 18.560 ( -3.963 0.000 -8.760) 9.615 ======================= Grid point 433 (132/155) ======================= q-point: ( 0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 22.804 -2.803 11.399) 25.648 1.856 ( 9.257 -6.981 -0.736) 11.618 2.196 ( 13.601 -8.545 2.609) 16.273 2.407 ( 6.080 -9.520 -12.628) 16.943 3.217 ( -6.998 0.342 10.392) 12.533 3.441 ( -3.784 2.029 -11.078) 11.881 3.619 ( 6.696 0.522 6.429) 9.297 3.708 ( 4.249 2.992 -1.076) 5.307 4.051 ( -0.495 10.044 2.855) 10.454 4.093 ( -1.081 6.365 -1.605) 6.653 4.373 ( -5.724 16.342 26.618) 31.755 4.769 ( -6.516 0.777 0.939) 6.629 5.010 ( 1.236 1.010 1.682) 2.319 5.119 ( 2.170 -3.706 18.504) 18.996 5.456 ( 6.612 13.294 -18.661) 23.847 5.522 ( -4.451 4.339 -19.226) 20.206 5.988 ( -4.954 -15.898 12.397) 20.760 6.304 ( -1.099 -19.067 -18.242) 26.411 9.586 ( 3.827 5.652 10.167) 12.245 9.750 ( -7.975 5.495 -5.834) 11.306 9.876 ( -12.632 -8.543 6.678) 16.648 10.022 ( -4.549 -7.202 -6.847) 10.929 10.932 ( 10.885 -14.118 5.222) 18.576 11.067 ( 10.481 -13.585 -7.937) 18.905 11.724 ( -1.331 9.873 8.006) 12.781 11.949 ( 0.679 10.011 -10.277) 14.363 12.166 ( 6.190 -9.585 3.486) 11.931 12.249 ( 7.050 -11.825 -5.952) 14.999 12.864 ( -0.684 1.560 15.791) 15.883 13.143 ( -3.185 2.020 -7.650) 8.529 14.216 ( -0.030 -1.005 27.508) 27.526 14.670 ( 2.623 -6.966 10.100) 12.547 14.839 ( 0.413 -6.198 -12.752) 14.185 14.927 ( 1.286 -5.472 -28.135) 28.691 16.590 ( -0.881 0.278 32.868) 32.881 17.111 ( 0.934 1.370 -17.466) 17.545 17.422 ( -1.679 3.294 9.315) 10.022 17.493 ( 0.290 6.169 15.834) 16.996 17.655 ( -2.092 4.584 -13.110) 14.045 17.809 ( 0.813 6.644 -14.520) 15.989 18.331 ( -5.209 4.699 4.874) 8.543 18.482 ( -4.743 3.978 -8.961) 10.892 ======================= Grid point 434 (133/155) ======================= q-point: ( 0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 19.723 -5.985 7.976) 22.100 2.076 ( 11.556 -6.161 -2.649) 13.361 2.493 ( 7.251 -12.507 6.992) 16.059 2.656 ( 6.405 -10.003 -7.074) 13.824 3.156 ( -5.754 -0.020 8.097) 9.933 3.356 ( -2.624 4.277 -9.214) 10.492 3.583 ( -1.767 9.625 13.602) 16.757 3.680 ( 4.943 2.163 2.142) 5.805 3.851 ( -0.179 9.722 3.051) 10.191 3.957 ( 0.115 6.994 -5.941) 9.178 4.019 ( -2.029 15.871 16.777) 23.184 4.506 ( -8.156 19.008 -24.839) 32.323 5.065 ( 1.532 -4.249 14.156) 14.859 5.178 ( 2.192 -1.948 11.097) 11.478 5.375 ( 8.215 3.434 -13.184) 15.909 5.425 ( -6.250 1.599 -14.024) 15.437 6.290 ( -4.248 -19.525 16.967) 26.214 6.617 ( -1.416 -15.730 -14.626) 21.525 9.464 ( -9.793 2.995 4.802) 11.310 9.544 ( -17.295 3.342 -3.173) 17.898 9.993 ( 2.684 -6.938 8.450) 11.258 10.139 ( 6.769 -3.596 -5.642) 9.517 11.279 ( 9.023 -0.750 5.051) 10.368 11.425 ( 12.880 -4.130 -6.878) 15.174 11.603 ( 2.410 -9.266 1.668) 9.719 11.731 ( -0.532 5.736 -9.459) 11.075 12.504 ( 2.620 -21.125 6.880) 22.371 12.594 ( -0.033 -20.206 -1.689) 20.276 12.846 ( 1.843 -2.685 10.895) 11.372 13.067 ( -3.075 2.506 -7.744) 8.701 14.242 ( -0.869 -2.260 31.377) 31.471 14.835 ( 1.772 -7.414 0.231) 7.627 14.965 ( 1.017 -7.185 -14.969) 16.635 15.091 ( 3.290 -8.650 -14.109) 16.874 16.569 ( -2.758 0.362 31.012) 31.137 17.083 ( 0.399 2.419 -16.647) 16.827 17.307 ( -1.064 8.698 11.803) 14.701 17.349 ( -0.118 8.076 8.648) 11.833 17.510 ( -3.497 8.328 -13.316) 16.090 17.639 ( 1.513 12.737 -14.667) 19.485 18.186 ( -4.031 5.844 6.212) 9.433 18.349 ( -3.969 5.868 -9.125) 11.552 ======================= Grid point 435 (134/155) ======================= q-point: ( 0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 15.556 -6.563 4.215) 17.402 2.264 ( 6.703 -5.050 1.208) 8.479 2.731 ( 0.059 -8.983 10.450) 13.781 2.857 ( 6.126 -6.165 -2.926) 9.171 3.125 ( -4.008 -0.816 3.207) 5.197 3.236 ( -1.183 6.832 2.606) 7.407 3.348 ( -6.191 8.097 8.434) 13.230 3.602 ( 0.702 9.421 -3.711) 10.150 3.681 ( 1.558 11.390 1.897) 11.651 3.817 ( 1.700 2.278 2.640) 3.879 3.895 ( 1.508 3.956 -6.434) 7.702 4.050 ( -4.157 21.890 -22.530) 31.687 5.127 ( -3.629 -3.595 10.962) 12.094 5.261 ( 5.677 -2.810 6.793) 9.288 5.348 ( -6.790 0.603 -9.838) 11.969 5.406 ( 7.297 1.728 -7.597) 10.674 6.596 ( -3.082 -16.744 15.472) 23.005 6.848 ( -1.313 -10.589 -9.074) 14.007 9.339 ( -12.296 -0.264 0.853) 12.329 9.354 ( -17.552 0.456 -0.687) 17.572 10.147 ( 9.321 -3.854 7.295) 12.448 10.263 ( 11.258 -1.153 -3.916) 11.975 11.108 ( -0.026 12.421 3.675) 12.954 11.283 ( 0.430 15.601 -12.861) 20.223 11.919 ( 8.628 -11.629 2.932) 14.774 11.956 ( 12.381 -9.733 -0.589) 15.760 12.680 ( -6.016 -2.231 9.882) 11.782 12.849 ( -7.178 -3.372 -4.756) 9.247 13.210 ( 3.458 -28.604 3.035) 28.972 13.257 ( 2.434 -33.181 -0.280) 33.272 14.280 ( -1.461 -2.688 34.513) 34.648 14.943 ( -0.593 -3.624 -20.081) 20.414 15.110 ( 4.378 -4.835 2.043) 6.835 15.250 ( 3.507 -4.548 -6.723) 8.842 16.528 ( -5.811 -0.036 25.841) 26.487 17.018 ( -1.487 4.820 -16.507) 17.261 17.104 ( 1.326 11.490 10.574) 15.671 17.224 ( -1.048 5.140 0.887) 5.320 17.312 ( -3.343 8.860 -9.504) 13.417 17.380 ( 2.580 16.749 -14.062) 22.021 18.069 ( -1.926 3.732 5.371) 6.818 18.209 ( -2.617 5.986 -7.965) 10.301 ======================= Grid point 436 (135/155) ======================= q-point: ( 0.50 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -4.433 -0.179 7.735) 8.917 2.423 ( 6.406 -2.788 -0.323) 6.994 2.858 ( 1.405 -6.805 8.741) 11.167 2.976 ( 2.940 -0.994 -3.828) 4.928 3.101 ( 3.216 -0.715 7.230) 7.945 3.148 ( -4.700 -0.575 7.033) 8.478 3.250 ( -1.921 -0.358 -7.740) 7.983 3.429 ( 0.009 7.765 -3.609) 8.563 3.519 ( 2.079 9.357 -5.770) 11.188 3.591 ( 1.250 19.138 -18.469) 26.626 3.846 ( 0.842 -0.419 1.546) 1.809 3.880 ( -0.334 2.040 -1.950) 2.841 5.155 ( -5.268 -3.880 6.508) 9.228 5.283 ( -6.557 0.057 -5.791) 8.748 5.352 ( 5.676 -1.094 3.497) 6.756 5.418 ( 5.826 3.171 -2.890) 7.235 6.838 ( -1.514 -11.555 10.859) 15.929 6.978 ( -0.563 -4.324 -2.709) 5.134 9.230 ( -14.881 -2.439 1.659) 15.170 9.270 ( -10.996 -3.485 -2.305) 11.763 10.287 ( 12.728 -0.659 5.644) 13.939 10.371 ( 13.813 1.412 -2.694) 14.144 10.931 ( -0.715 5.680 0.095) 5.725 11.031 ( -0.939 10.529 -9.441) 14.173 12.074 ( 0.179 -0.981 6.601) 6.676 12.146 ( 7.141 -0.986 -0.308) 7.216 12.695 ( -1.241 -3.967 3.386) 5.361 12.771 ( -5.422 2.038 -3.402) 6.717 13.834 ( 1.181 -29.253 11.226) 31.355 13.941 ( 1.382 -38.308 0.302) 38.334 14.298 ( -1.401 0.132 33.989) 34.018 14.914 ( -1.383 8.412 -23.959) 25.431 15.200 ( 5.523 -1.061 7.273) 9.193 15.298 ( 1.956 2.192 -1.446) 3.275 16.488 ( -7.288 -3.269 15.939) 17.829 16.869 ( -2.108 8.700 -16.555) 18.820 16.960 ( 1.815 4.854 0.406) 5.198 17.093 ( 0.698 13.824 -9.183) 16.611 17.149 ( -0.116 2.650 -0.814) 2.775 17.180 ( 0.329 4.592 -4.710) 6.586 18.021 ( -0.324 0.408 1.787) 1.862 18.093 ( -1.385 4.513 -5.025) 6.894 ======================= Grid point 437 (136/155) ======================= q-point: (-0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -12.748 6.584 12.623) 19.110 2.400 ( -4.756 5.518 -7.255) 10.281 2.983 ( 6.447 0.202 4.934) 8.121 3.061 ( 6.456 -5.856 -0.835) 8.756 3.185 ( -0.919 -3.353 3.832) 5.174 3.231 ( -0.121 -5.343 -1.911) 5.676 3.244 ( 1.512 5.895 -1.980) 6.400 3.280 ( 1.808 -1.843 -6.907) 7.374 3.368 ( -0.331 -1.985 -5.660) 6.007 3.446 ( 3.349 5.118 -9.349) 11.172 3.831 ( -2.146 2.344 0.514) 3.219 3.853 ( -0.785 -0.181 -1.410) 1.624 5.175 ( -5.443 -3.035 3.171) 6.992 5.230 ( -5.688 -0.101 -2.035) 6.043 5.365 ( 4.124 4.601 3.309) 7.009 5.429 ( 4.378 -0.053 -2.716) 5.152 6.979 ( -0.301 -2.857 5.243) 5.978 6.999 ( 0.698 0.635 3.305) 3.437 9.184 ( -11.441 -4.887 4.275) 13.155 9.277 ( -8.415 -6.302 -4.815) 11.564 10.390 ( 14.431 2.154 3.776) 15.072 10.451 ( 15.493 3.450 -2.407) 16.054 10.888 ( -1.618 -0.297 -3.059) 3.473 10.910 ( -0.115 0.515 -5.176) 5.203 11.987 ( -8.495 5.294 8.061) 12.852 12.110 ( -2.526 6.766 -3.482) 8.018 12.724 ( -0.885 -0.606 4.275) 4.408 12.799 ( 2.378 -5.478 -3.082) 6.720 14.197 ( -0.694 11.437 26.054) 28.462 14.225 ( 0.736 -12.405 26.021) 28.836 14.554 ( -0.906 28.977 -8.188) 30.125 14.593 ( 1.047 -28.800 -9.172) 30.244 15.203 ( -0.559 7.392 2.917) 7.966 15.265 ( 2.662 -0.833 -2.330) 3.634 16.583 ( -4.864 -13.284 2.755) 14.412 16.726 ( 1.678 4.386 -8.072) 9.338 16.889 ( -1.413 6.195 -3.050) 7.048 16.980 ( 2.432 -2.764 -9.517) 10.205 17.132 ( -0.068 -0.877 -1.604) 1.829 17.137 ( 0.223 0.605 -2.484) 2.566 18.028 ( -0.384 1.491 -0.767) 1.720 18.048 ( 0.597 -3.142 -2.716) 4.196 ======================= Grid point 438 (137/155) ======================= q-point: (-0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -13.096 9.319 14.702) 21.782 2.200 ( -6.975 9.141 -12.275) 16.819 2.965 ( 0.908 11.203 8.289) 13.966 2.995 ( 3.603 8.309 8.282) 12.272 3.199 ( 4.618 -4.000 -1.212) 6.229 3.300 ( 2.831 -2.992 -2.634) 4.889 3.331 ( 2.040 -3.849 -3.080) 5.335 3.416 ( -2.416 -5.568 -5.596) 8.255 3.468 ( 2.383 -9.210 1.732) 9.670 3.653 ( 4.179 -22.006 -17.629) 28.505 3.763 ( -3.667 1.330 3.979) 5.572 3.849 ( -2.080 -1.843 -4.350) 5.162 5.147 ( -4.152 1.520 3.429) 5.596 5.202 ( -4.658 -1.573 -1.950) 5.289 5.300 ( 2.180 4.898 8.066) 9.685 5.467 ( 3.029 -0.536 -7.751) 8.339 6.891 ( 1.052 9.152 9.437) 13.188 7.006 ( 0.692 3.015 -1.649) 3.505 9.203 ( -8.014 -6.180 7.230) 12.437 9.348 ( -5.859 -7.945 -6.889) 12.038 10.475 ( 16.820 2.831 2.754) 17.278 10.530 ( 18.930 4.093 -2.312) 19.505 10.899 ( -3.643 -3.953 0.289) 5.384 10.980 ( -4.391 -7.623 -7.371) 11.477 11.765 ( -11.772 8.465 6.545) 15.909 11.891 ( -7.471 10.792 -5.758) 14.333 12.755 ( 1.425 -1.950 9.844) 10.136 12.923 ( 2.366 -5.440 -6.402) 8.727 13.796 ( -0.674 32.192 10.853) 33.979 13.907 ( -0.447 37.722 0.100) 37.725 14.343 ( 0.856 -0.905 34.721) 34.743 14.965 ( 1.179 -9.912 -23.408) 25.448 15.064 ( -1.997 4.970 11.397) 12.592 15.260 ( -0.265 2.879 -5.789) 6.471 16.699 ( 4.135 2.756 13.167) 14.074 16.822 ( -2.711 -10.201 3.327) 11.067 16.932 ( -0.985 -16.637 -9.369) 19.119 17.049 ( -0.599 -3.042 -12.113) 12.504 17.162 ( 0.223 -3.134 -1.155) 3.347 17.216 ( 1.356 -8.087 -8.266) 11.643 18.037 ( 0.422 -2.554 3.559) 4.401 18.142 ( 1.014 -6.181 -6.581) 9.085 ======================= Grid point 439 (138/155) ======================= q-point: (-0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -8.753 9.951 16.536) 21.192 1.979 ( -4.592 8.872 -16.275) 19.096 2.693 ( -0.911 16.545 12.818) 20.949 2.843 ( 1.084 12.567 -1.039) 12.656 3.286 ( 1.581 -2.099 0.623) 2.700 3.337 ( 4.205 -2.839 -1.396) 5.262 3.497 ( 0.990 -7.327 -0.153) 7.395 3.501 ( -3.350 -4.487 -0.808) 5.657 3.699 ( 2.796 -9.463 8.216) 12.840 3.756 ( -2.386 -10.233 11.766) 15.774 3.849 ( -0.686 -3.617 -6.055) 7.086 4.200 ( 2.370 -28.754 -26.462) 39.149 5.065 ( -2.207 4.322 6.377) 8.013 5.184 ( -3.085 0.084 -5.405) 6.224 5.233 ( 0.739 3.615 13.449) 13.946 5.503 ( 1.572 -1.159 -12.427) 12.580 6.678 ( 0.952 14.882 13.043) 19.812 6.889 ( 0.532 10.183 -7.490) 12.652 9.263 ( -4.388 -6.141 10.034) 12.556 9.455 ( -3.316 -7.819 -8.539) 12.043 10.579 ( 20.745 4.287 3.440) 21.461 10.632 ( 23.174 4.962 -1.568) 23.751 10.914 ( -13.703 -2.988 2.189) 14.194 11.012 ( -17.140 -1.627 -6.326) 18.342 11.547 ( -5.890 3.143 3.201) 7.404 11.668 ( -2.928 4.690 -9.171) 10.708 12.805 ( 1.153 -2.048 13.410) 13.614 13.028 ( 3.037 1.828 -5.678) 6.694 13.099 ( -2.512 32.479 4.575) 32.896 13.209 ( -0.355 37.922 -3.679) 38.102 14.320 ( 0.504 3.119 36.048) 36.187 14.936 ( -0.486 6.472 13.585) 15.056 15.054 ( 0.313 1.306 -30.919) 30.949 15.160 ( -1.215 6.967 -6.899) 9.880 16.657 ( 1.273 3.238 23.481) 23.738 17.049 ( 0.528 -7.689 -1.346) 7.824 17.060 ( -0.821 -8.355 0.226) 8.398 17.250 ( 0.317 -5.856 2.151) 6.246 17.303 ( -0.947 -19.266 -12.449) 22.957 17.402 ( 0.971 -9.855 -13.727) 16.926 18.128 ( 0.797 -6.580 5.854) 8.843 18.283 ( 0.922 -7.892 -8.931) 11.954 ======================= Grid point 440 (139/155) ======================= q-point: (-0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 0.000 8.560 18.121) 20.041 1.811 ( 0.000 6.852 -19.437) 20.609 2.349 ( 0.000 19.766 13.613) 24.000 2.581 ( 0.000 15.096 -8.511) 17.330 3.341 ( -0.000 -2.723 5.255) 5.919 3.440 ( -0.000 -5.243 -2.183) 5.679 3.484 ( 0.000 1.706 5.128) 5.405 3.597 ( -0.000 -2.546 -5.472) 6.036 3.866 ( -0.000 -10.358 4.584) 11.327 3.961 ( -0.000 -8.357 -4.641) 9.559 4.081 ( -0.000 -20.859 29.451) 36.089 4.742 ( -0.000 -27.390 -31.338) 41.621 4.952 ( 0.000 6.637 9.694) 11.748 5.148 ( 0.000 2.020 -9.397) 9.612 5.185 ( 0.000 1.645 18.606) 18.678 5.538 ( -0.000 -1.996 -15.690) 15.816 6.374 ( 0.000 18.071 13.996) 22.857 6.649 ( 0.000 15.856 -12.737) 20.339 9.348 ( -0.000 -5.035 12.048) 13.058 9.570 ( -0.000 -6.116 -9.434) 11.243 10.629 ( 0.000 16.434 2.953) 16.697 10.657 ( 0.000 3.572 8.561) 9.276 10.699 ( 0.000 10.875 -3.911) 11.557 10.822 ( 0.000 2.220 -7.538) 7.858 11.574 ( -0.000 -7.248 3.630) 8.106 11.746 ( -0.000 -10.881 -12.618) 16.662 12.439 ( 0.000 28.950 6.326) 29.633 12.564 ( 0.000 29.835 -5.929) 30.418 12.848 ( -0.000 -1.845 16.339) 16.442 13.128 ( -0.000 -4.006 -9.100) 9.943 14.261 ( 0.000 3.132 32.998) 33.146 14.790 ( 0.000 8.862 13.551) 16.191 14.992 ( 0.000 4.812 -35.358) 35.684 14.998 ( 0.000 9.393 -6.910) 11.661 16.617 ( 0.000 1.530 29.041) 29.081 17.075 ( -0.000 -1.328 -14.507) 14.567 17.313 ( -0.000 -12.296 14.890) 19.311 17.363 ( -0.000 -5.643 6.156) 8.351 17.570 ( -0.000 -7.644 -13.417) 15.442 17.607 ( -0.000 -13.699 -13.621) 19.318 18.274 ( -0.000 -8.179 5.266) 9.728 18.433 ( -0.000 -7.573 -9.553) 12.190 ======================= Grid point 443 (140/155) ======================= q-point: ( 0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 7.706 -0.000 13.176) 15.265 1.887 ( 25.756 -0.000 6.089) 26.466 2.296 ( 20.445 -0.000 -6.438) 21.434 2.372 ( 8.039 -0.000 -11.687) 14.184 3.162 ( -6.307 0.000 11.999) 13.556 3.424 ( -3.844 0.000 -13.387) 13.928 3.683 ( 6.410 -0.000 7.714) 10.030 3.781 ( 5.058 -0.000 -1.352) 5.236 4.141 ( -2.031 0.000 0.786) 2.178 4.167 ( 0.652 -0.000 -1.353) 1.502 4.460 ( -7.147 0.000 18.238) 19.589 4.728 ( -5.910 0.000 7.696) 9.703 5.017 ( -2.287 0.000 8.820) 9.112 5.115 ( 7.486 -0.000 22.893) 24.086 5.528 ( -6.656 0.000 -11.338) 13.147 5.626 ( -1.988 0.000 -4.063) 4.523 5.884 ( -0.304 0.000 -16.641) 16.643 5.993 ( -1.536 0.000 -19.282) 19.343 9.526 ( -23.968 0.000 5.347) 24.557 9.632 ( -24.470 0.000 -4.814) 24.939 9.844 ( 18.722 -0.000 12.255) 22.377 10.056 ( 17.968 -0.000 -8.196) 19.749 10.843 ( 5.344 -0.000 5.113) 7.396 10.975 ( 4.700 -0.000 -7.676) 9.001 11.816 ( -2.608 0.000 8.532) 8.922 12.060 ( -6.639 0.000 -10.834) 12.707 12.142 ( 12.906 -0.000 5.892) 14.187 12.235 ( 13.136 -0.000 -5.906) 14.403 12.877 ( -0.232 0.000 13.428) 13.430 13.129 ( -4.050 0.000 -6.218) 7.420 14.212 ( 0.485 -0.000 24.729) 24.734 14.627 ( 3.288 -0.000 9.780) 10.318 14.782 ( 1.169 -0.000 -10.316) 10.383 14.880 ( 0.382 -0.000 -30.726) 30.729 16.589 ( -0.513 0.000 34.135) 34.139 17.136 ( 1.585 -0.000 -18.846) 18.913 17.436 ( -2.128 0.000 10.106) 10.328 17.551 ( 0.051 -0.000 16.405) 16.405 17.678 ( -2.811 0.000 -13.433) 13.723 17.875 ( 0.636 -0.000 -14.884) 14.898 18.322 ( -6.451 0.000 5.069) 8.204 18.470 ( -5.930 0.000 -8.465) 10.335 ======================= Grid point 444 (141/155) ======================= q-point: ( 0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 9.107 -5.925 12.891) 16.859 2.128 ( 19.976 -2.700 -1.094) 20.188 2.447 ( 13.486 -2.728 1.155) 13.808 2.579 ( 14.398 -7.701 -9.389) 18.835 3.111 ( -4.939 0.081 11.612) 12.619 3.379 ( -3.364 1.462 -13.794) 14.274 3.723 ( 4.957 2.298 8.103) 9.773 3.771 ( 2.837 5.010 6.431) 8.632 4.036 ( -1.069 9.690 1.758) 9.906 4.073 ( -1.074 6.575 -2.087) 6.982 4.291 ( -3.401 13.312 16.903) 21.783 4.642 ( -7.101 4.309 -9.679) 12.755 5.013 ( -1.111 -1.815 13.900) 14.062 5.177 ( 3.694 -0.754 14.216) 14.707 5.396 ( -8.285 2.850 -10.169) 13.422 5.582 ( 5.911 10.926 -24.022) 27.044 5.886 ( -6.193 -17.441 16.303) 24.664 6.287 ( -0.740 -18.567 -21.011) 28.049 9.323 ( -22.006 -0.164 3.910) 22.351 9.398 ( -23.464 1.800 -3.364) 23.772 10.037 ( 19.977 -1.640 11.474) 23.096 10.223 ( 17.616 -0.509 -6.600) 18.819 11.076 ( 6.147 -19.179 4.956) 20.740 11.213 ( 6.616 -19.842 -8.295) 22.500 11.680 ( -3.834 10.211 7.144) 13.039 11.896 ( -6.136 10.125 -11.145) 16.260 12.320 ( 10.808 -6.612 6.092) 14.059 12.395 ( 8.076 -5.835 -2.473) 10.266 12.859 ( 0.466 1.415 10.656) 10.760 13.074 ( -4.547 1.744 -6.155) 7.849 14.216 ( 0.005 -0.225 26.084) 26.085 14.723 ( 3.176 -6.422 5.969) 9.325 14.850 ( 0.805 -5.453 -16.211) 17.122 14.955 ( 1.944 -7.533 -20.494) 21.921 16.571 ( -1.275 1.388 34.317) 34.369 17.134 ( 1.681 1.932 -19.157) 19.328 17.385 ( -2.506 3.270 8.678) 9.606 17.497 ( 0.114 5.845 15.845) 16.889 17.602 ( -4.082 4.968 -13.441) 14.900 17.823 ( 0.791 6.221 -15.287) 16.524 18.232 ( -5.570 3.495 6.155) 9.007 18.391 ( -5.279 2.942 -8.591) 10.504 ======================= Grid point 445 (142/155) ======================= q-point: ( 0.40 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 7.247 -8.228 8.224) 13.706 2.299 ( 10.607 -1.076 -3.312) 11.164 2.637 ( 10.057 -5.517 11.518) 16.256 2.823 ( 11.530 -5.730 -6.616) 14.476 3.080 ( -2.557 -0.618 7.678) 8.116 3.313 ( -2.486 2.849 -13.199) 13.730 3.531 ( -3.195 15.181 24.216) 28.760 3.756 ( 3.481 3.941 0.816) 5.321 3.852 ( 0.123 7.987 2.563) 8.389 3.966 ( 0.873 6.407 -5.628) 8.572 3.992 ( -1.045 12.946 8.928) 15.760 4.386 ( -5.292 16.825 -24.818) 30.447 5.040 ( -3.504 -2.458 12.167) 12.898 5.246 ( 4.236 -3.419 9.243) 10.727 5.294 ( -8.079 0.636 -10.004) 12.875 5.507 ( 6.527 3.428 -15.109) 16.811 6.214 ( -4.196 -20.898 20.406) 29.508 6.595 ( -1.057 -15.460 -16.404) 22.565 9.157 ( -19.946 -1.727 1.504) 20.077 9.186 ( -19.813 0.021 -1.370) 19.860 10.239 ( 19.637 -1.434 9.378) 21.809 10.379 ( 16.784 -0.310 -4.300) 17.329 11.342 ( -0.972 11.045 5.936) 12.577 11.555 ( -0.686 10.902 -13.827) 17.621 11.658 ( 5.390 -23.130 5.323) 24.339 11.776 ( 6.423 -19.028 -5.051) 20.708 12.507 ( -3.763 -7.060 7.335) 10.854 12.591 ( 1.170 -12.151 1.006) 12.249 12.910 ( 4.874 -7.992 3.867) 10.128 13.013 ( -2.743 -0.824 -4.817) 5.604 14.227 ( -0.786 -1.519 30.277) 30.325 14.856 ( 0.565 -5.328 -16.821) 17.653 15.005 ( 3.325 -9.307 -1.404) 9.982 15.151 ( 3.479 -9.486 -11.061) 14.982 16.512 ( -3.588 2.674 32.826) 33.130 17.091 ( 0.542 3.971 -20.179) 20.574 17.280 ( -1.812 5.954 8.024) 10.155 17.351 ( 0.197 9.504 11.858) 15.198 17.437 ( -4.566 8.142 -11.315) 14.669 17.665 ( 1.370 11.903 -15.644) 19.705 18.120 ( -3.302 4.003 6.679) 8.458 18.281 ( -3.553 4.546 -8.611) 10.365 ======================= Grid point 446 (143/155) ======================= q-point: ( 0.50 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 0.659 0.296 5.888) 5.932 2.382 ( 2.461 -5.072 -0.336) 5.647 2.790 ( 6.006 -3.612 14.913) 16.478 2.980 ( 7.129 -2.824 -2.785) 8.158 3.087 ( -1.027 -0.946 4.102) 4.333 3.240 ( 1.747 6.225 1.128) 6.563 3.250 ( -4.169 6.924 8.782) 11.935 3.600 ( -0.538 10.525 -5.085) 11.702 3.713 ( 1.832 10.776 0.979) 10.974 3.844 ( 1.214 0.900 3.085) 3.436 3.919 ( 0.867 3.451 -5.924) 6.910 3.998 ( -1.522 20.366 -24.476) 31.877 5.048 ( -4.890 -2.860 8.121) 9.902 5.221 ( -7.144 -0.271 -8.532) 11.131 5.357 ( 4.716 -3.237 7.698) 9.591 5.517 ( 5.247 2.138 -7.940) 9.754 6.547 ( -2.374 -17.988 17.305) 25.073 6.830 ( -0.814 -10.824 -10.169) 14.874 9.036 ( -16.416 -2.896 1.729) 16.759 9.076 ( -14.581 -4.066 -2.204) 15.297 10.425 ( 18.885 -0.320 7.084) 20.172 10.525 ( 16.333 0.396 -2.743) 16.566 11.080 ( -3.238 11.702 3.813) 12.727 11.248 ( -4.454 14.815 -11.941) 19.543 12.053 ( 6.776 -6.373 7.560) 11.987 12.155 ( 10.571 -8.671 -1.664) 13.773 12.562 ( -7.200 -7.299 5.888) 11.823 12.708 ( -8.967 -3.068 -6.029) 11.233 13.265 ( 2.723 -28.353 3.725) 28.726 13.302 ( 2.545 -29.463 1.137) 29.595 14.256 ( -1.133 -2.358 33.908) 34.009 14.931 ( -0.670 -2.664 -27.138) 27.277 15.196 ( 5.019 -6.264 6.285) 10.194 15.314 ( 3.620 -3.855 -4.877) 7.194 16.420 ( -6.103 2.121 27.801) 28.542 16.986 ( -2.156 6.950 -24.059) 25.135 17.123 ( 0.753 10.062 12.358) 15.954 17.205 ( -0.969 5.181 1.099) 5.384 17.261 ( -2.179 6.890 -5.156) 8.877 17.421 ( 1.966 15.604 -14.874) 21.647 18.041 ( -1.257 2.292 4.746) 5.418 18.168 ( -1.931 4.966 -7.294) 9.033 ======================= Grid point 447 (144/155) ======================= q-point: ( 0.60 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -6.281 6.457 12.593) 15.482 2.433 ( -2.678 1.071 -7.777) 8.295 2.917 ( 3.865 -7.004 12.619) 14.942 3.068 ( -4.021 -2.747 11.196) 12.209 3.076 ( 6.717 -0.921 -0.154) 6.782 3.178 ( 3.843 0.403 1.333) 4.088 3.225 ( -0.755 -1.380 -8.613) 8.755 3.430 ( 0.110 6.937 -5.936) 9.131 3.546 ( 1.071 12.042 -6.986) 13.962 3.633 ( 3.179 14.976 -16.450) 22.472 3.851 ( -0.174 0.346 0.575) 0.693 3.865 ( -1.278 3.000 -1.178) 3.467 5.069 ( -4.116 -3.637 5.507) 7.778 5.178 ( -4.940 -0.623 -4.958) 7.026 5.433 ( 3.367 -0.973 3.484) 4.942 5.499 ( 3.318 3.837 -2.894) 5.840 6.818 ( -0.827 -12.619 11.662) 17.203 6.972 ( -0.183 -4.985 -3.306) 5.985 8.991 ( -10.725 -5.022 3.553) 12.364 9.071 ( -9.547 -6.695 -4.269) 12.418 10.568 ( 16.689 2.007 4.466) 17.392 10.635 ( 14.596 2.613 -2.566) 15.048 10.903 ( -2.867 4.211 0.654) 5.136 10.986 ( -4.513 8.293 -7.641) 12.146 12.037 ( -3.318 5.986 11.604) 13.472 12.232 ( 2.827 6.270 -6.330) 9.347 12.660 ( -3.190 -5.662 2.544) 6.979 12.709 ( -0.947 -5.030 -2.190) 5.567 13.851 ( 0.754 -28.064 11.593) 30.373 13.963 ( 1.054 -38.212 0.074) 38.227 14.277 ( -0.900 -0.037 33.975) 33.987 14.895 ( -0.809 8.349 -24.092) 25.511 15.294 ( 4.636 0.364 4.381) 6.389 15.333 ( 1.743 4.155 0.941) 4.603 16.371 ( -5.579 -4.020 17.990) 19.260 16.822 ( -2.611 7.192 -23.877) 25.073 16.990 ( 1.365 4.243 3.407) 5.610 17.095 ( -0.136 10.265 -3.097) 10.723 17.149 ( 0.028 3.292 -1.246) 3.520 17.195 ( 1.007 6.962 -7.811) 10.511 18.017 ( -0.110 -0.435 0.907) 1.012 18.074 ( -0.786 3.809 -4.317) 5.810 ======================= Grid point 448 (145/155) ======================= q-point: (-0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -5.762 9.609 16.217) 19.711 2.315 ( -3.251 7.743 -12.831) 15.335 3.085 ( 3.868 -1.327 8.548) 9.476 3.118 ( 0.353 -7.935 4.785) 9.273 3.191 ( 1.180 4.482 1.287) 4.810 3.233 ( 0.609 -11.575 -3.084) 11.994 3.263 ( -0.756 -1.244 -6.354) 6.518 3.283 ( 0.088 7.185 -6.606) 9.761 3.398 ( 2.199 -4.643 -3.574) 6.258 3.507 ( 2.858 5.569 -10.867) 12.540 3.789 ( -1.975 3.507 1.896) 4.449 3.835 ( -0.845 0.695 -2.388) 2.627 5.103 ( -2.322 -2.845 3.130) 4.826 5.155 ( -2.435 -0.328 -1.786) 3.038 5.414 ( 1.479 5.248 3.376) 6.413 5.482 ( 1.583 -0.008 -2.937) 3.336 6.976 ( -0.059 -3.553 5.828) 6.825 7.009 ( 0.307 -0.005 2.730) 2.748 9.028 ( -5.078 -6.324 5.721) 9.925 9.150 ( -4.423 -8.286 -6.106) 11.203 10.643 ( 11.635 2.715 0.812) 11.975 10.692 ( 9.413 1.208 -4.621) 10.555 10.840 ( -4.004 0.496 1.395) 4.269 10.899 ( -1.041 -0.228 -3.795) 3.942 11.851 ( -5.348 9.173 10.641) 15.033 12.050 ( -2.790 11.505 -8.330) 14.475 12.718 ( 0.002 -2.954 6.914) 7.519 12.829 ( 0.894 -6.306 -4.208) 7.634 14.188 ( -0.261 11.153 26.081) 28.367 14.235 ( 0.287 -12.730 26.035) 28.982 14.543 ( -0.334 28.983 -7.982) 30.064 14.606 ( 0.419 -28.710 -9.595) 30.274 15.199 ( 0.005 9.276 4.717) 10.406 15.304 ( 1.346 1.697 -4.047) 4.590 16.518 ( -2.153 -15.361 4.385) 16.119 16.733 ( -0.227 -0.498 -15.473) 15.483 16.881 ( 0.105 9.231 3.166) 9.759 17.010 ( 0.872 -2.427 -9.265) 9.618 17.131 ( -0.004 -1.110 -1.604) 1.951 17.141 ( 0.112 0.539 -3.020) 3.070 18.024 ( -0.122 0.963 -0.177) 0.986 18.056 ( 0.253 -3.637 -3.332) 4.939 ======================= Grid point 449 (146/155) ======================= q-point: (-0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 0.000 10.624 17.238) 20.249 2.133 ( 0.000 9.711 -15.434) 18.235 2.967 ( 0.000 13.963 12.117) 18.488 3.035 ( 0.000 7.259 5.974) 9.401 3.241 ( -0.000 -1.866 -2.173) 2.864 3.317 ( -0.000 -11.098 1.170) 11.159 3.372 ( -0.000 -7.354 -4.217) 8.478 3.372 ( 0.000 1.576 -12.075) 12.177 3.507 ( -0.000 -8.477 3.858) 9.314 3.705 ( -0.000 -24.400 -16.076) 29.220 3.718 ( 0.000 2.669 5.041) 5.704 3.821 ( 0.000 0.064 -4.944) 4.944 5.109 ( 0.000 1.408 3.201) 3.497 5.159 ( -0.000 -1.263 -1.764) 2.170 5.320 ( 0.000 5.251 8.537) 10.023 5.494 ( -0.000 -0.532 -8.070) 8.088 6.901 ( 0.000 8.747 9.257) 12.736 7.012 ( 0.000 2.830 -1.521) 3.213 9.126 ( -0.000 -6.573 8.044) 10.388 9.288 ( -0.000 -8.593 -7.634) 11.494 10.699 ( -0.000 -2.852 1.121) 3.064 10.783 ( 0.000 2.538 5.687) 6.228 10.800 ( -0.000 -5.326 -8.460) 9.997 10.889 ( 0.000 0.936 -4.552) 4.647 11.642 ( 0.000 9.718 8.303) 12.782 11.815 ( 0.000 11.513 -8.491) 14.305 12.768 ( -0.000 -2.404 10.396) 10.670 12.944 ( -0.000 -5.732 -6.719) 8.832 13.790 ( 0.000 32.700 10.867) 34.459 13.903 ( 0.000 37.519 0.003) 37.519 14.351 ( -0.000 -1.075 34.922) 34.939 14.977 ( -0.000 -11.234 -23.876) 26.387 15.046 ( 0.000 6.605 12.516) 14.152 15.258 ( 0.000 3.984 -6.461) 7.590 16.744 ( 0.000 5.666 14.718) 15.771 16.789 ( -0.000 -12.938 2.245) 13.131 16.921 ( -0.000 -19.717 -9.548) 21.907 17.045 ( -0.000 -0.646 -11.168) 11.187 17.164 ( -0.000 -3.279 -1.018) 3.434 17.228 ( -0.000 -8.658 -9.485) 12.842 18.041 ( -0.000 -2.963 3.831) 4.843 18.152 ( -0.000 -6.480 -6.841) 9.422 ======================= Grid point 454 (147/155) ======================= q-point: ( 0.30 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 7.946 -0.000 18.081) 19.750 2.274 ( 16.673 -0.000 -8.401) 18.670 2.551 ( 12.810 -0.000 1.930) 12.954 2.656 ( 20.015 -0.000 -6.356) 21.000 3.074 ( -3.383 0.000 12.244) 12.703 3.361 ( -3.566 0.000 -14.550) 14.981 3.780 ( 4.685 -0.000 9.560) 10.646 3.858 ( 3.598 -0.000 4.857) 6.045 4.100 ( -2.315 0.000 0.447) 2.358 4.177 ( 0.404 -0.000 -4.694) 4.711 4.367 ( -3.587 0.000 13.438) 13.908 4.630 ( -4.886 0.000 -3.645) 6.096 4.978 ( -2.242 0.000 14.030) 14.208 5.204 ( 1.235 -0.000 11.138) 11.206 5.407 ( -5.505 0.000 3.946) 6.773 5.522 ( -8.603 0.000 11.907) 14.690 5.922 ( 3.598 -0.000 -26.376) 26.620 5.970 ( -1.060 0.000 -23.936) 23.960 9.139 ( -19.598 0.000 4.355) 20.076 9.221 ( -21.149 0.000 -3.634) 21.459 10.212 ( 21.713 -0.000 11.139) 24.403 10.386 ( 18.817 -0.000 -5.867) 19.710 10.911 ( 2.764 -0.000 4.744) 5.491 11.043 ( 3.270 -0.000 -7.846) 8.500 11.740 ( -5.688 0.000 6.538) 8.665 11.918 ( -9.355 0.000 -6.686) 11.499 12.383 ( 13.937 -0.000 5.586) 15.014 12.440 ( 9.612 -0.000 -2.500) 9.932 12.881 ( 0.793 -0.000 6.913) 6.958 13.048 ( -5.296 0.000 -4.397) 6.883 14.221 ( 0.499 -0.000 23.127) 23.133 14.687 ( 3.409 -0.000 8.738) 9.380 14.802 ( 1.024 -0.000 -15.072) 15.107 14.890 ( 0.791 -0.000 -24.664) 24.677 16.580 ( -0.502 0.000 35.541) 35.545 17.173 ( 2.617 -0.000 -20.902) 21.065 17.392 ( -2.809 0.000 9.208) 9.627 17.550 ( -0.155 0.000 16.445) 16.446 17.610 ( -5.041 0.000 -13.474) 14.386 17.884 ( 0.330 -0.000 -15.613) 15.617 18.216 ( -5.256 0.000 6.412) 8.291 18.370 ( -5.208 0.000 -7.961) 9.513 ======================= Grid point 455 (148/155) ======================= q-point: ( 0.40 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 6.169 -5.676 15.856) 17.935 2.385 ( 8.999 0.648 -11.669) 14.750 2.681 ( 12.842 -1.687 11.507) 17.326 2.857 ( 15.528 -3.265 -6.081) 16.993 3.057 ( -0.839 -0.326 9.680) 9.721 3.319 ( -3.785 1.053 -13.878) 14.423 3.775 ( 1.027 10.365 15.999) 19.091 3.819 ( 2.993 1.337 9.709) 10.247 4.027 ( 0.141 7.889 -2.131) 8.173 4.057 ( -0.796 6.776 -4.331) 8.082 4.254 ( -1.109 11.957 9.630) 15.392 4.542 ( -4.092 5.324 -13.733) 15.287 4.975 ( -3.114 -1.530 11.115) 11.644 5.202 ( -4.557 -1.675 -3.429) 5.944 5.260 ( -3.207 2.642 8.994) 9.908 5.660 ( 2.815 4.717 -17.260) 18.113 5.795 ( -3.562 -15.521 17.032) 23.317 6.280 ( -0.076 -17.661 -23.400) 29.317 8.981 ( -16.219 0.065 3.064) 16.506 9.037 ( -16.914 1.319 -2.443) 17.140 10.397 ( 19.640 -0.497 9.219) 21.701 10.528 ( 16.142 0.787 -3.558) 16.548 11.159 ( 3.634 -22.622 5.569) 23.579 11.308 ( 4.470 -22.985 -8.483) 24.905 11.594 ( -5.782 8.771 5.752) 11.978 11.759 ( -9.037 8.077 -6.685) 13.842 12.480 ( 4.092 2.166 4.016) 6.129 12.529 ( 10.028 -2.410 2.418) 10.593 12.887 ( 2.526 -0.325 2.852) 3.824 12.986 ( -5.516 1.023 -3.892) 6.828 14.216 ( 0.027 0.513 24.774) 24.779 14.770 ( 2.056 -4.877 -3.404) 6.293 14.869 ( 1.353 -6.525 -12.573) 14.230 14.990 ( 1.947 -9.196 -14.701) 17.449 16.548 ( -1.240 2.899 35.804) 35.943 17.170 ( 2.476 2.914 -22.441) 22.764 17.340 ( -2.501 2.947 7.633) 8.556 17.495 ( -0.723 5.590 13.278) 14.425 17.518 ( -4.821 4.802 -9.094) 11.358 17.834 ( 0.443 5.690 -16.081) 17.063 18.151 ( -3.521 2.524 6.999) 8.232 18.310 ( -3.729 2.060 -8.048) 9.106 ======================= Grid point 456 (149/155) ======================= q-point: ( 0.50 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 2.914 -7.055 9.087) 11.868 2.401 ( 2.557 3.082 -3.249) 5.156 2.805 ( 7.049 -1.804 14.392) 16.126 3.011 ( 9.224 -1.405 -2.715) 9.717 3.075 ( 1.571 -0.823 5.488) 5.767 3.256 ( -4.179 1.957 -12.019) 12.875 3.504 ( 0.260 15.891 23.303) 28.207 3.795 ( 1.000 9.434 -2.937) 9.931 3.857 ( 0.552 2.933 5.994) 6.696 3.977 ( -0.022 14.309 5.015) 15.163 3.986 ( 0.320 4.149 -4.266) 5.960 4.329 ( -1.355 15.121 -26.319) 30.383 4.967 ( -4.185 -1.569 7.352) 8.604 5.151 ( -6.964 -0.617 -10.041) 12.235 5.315 ( 2.774 -4.764 12.145) 13.338 5.596 ( 3.537 2.887 -15.208) 15.878 6.154 ( -2.407 -21.859 23.592) 32.252 6.582 ( -0.447 -15.137 -17.814) 23.380 8.866 ( -12.174 -1.394 2.104) 12.432 8.908 ( -11.384 -1.316 -2.051) 11.642 10.571 ( 16.528 -1.177 6.704) 17.875 10.654 ( 13.462 -0.564 -1.452) 13.552 11.284 ( -4.675 13.616 5.930) 15.570 11.464 ( -7.081 13.170 -9.427) 17.676 11.760 ( 4.796 -30.946 6.332) 31.950 11.904 ( 7.012 -28.929 -6.971) 30.572 12.408 ( -6.190 2.826 9.505) 11.690 12.613 ( 0.768 0.971 -5.609) 5.744 12.970 ( -0.307 -8.062 1.787) 8.264 12.997 ( 2.644 -7.848 -0.256) 8.285 14.216 ( -0.457 -0.940 29.543) 29.561 14.859 ( 0.010 -4.162 -25.053) 25.397 15.064 ( 2.897 -10.959 4.214) 12.093 15.205 ( 2.488 -10.425 -9.068) 14.039 16.453 ( -2.804 5.162 34.384) 34.882 17.101 ( 0.551 6.291 -26.255) 27.004 17.250 ( -1.472 4.706 6.783) 8.386 17.349 ( -1.007 8.629 8.764) 12.340 17.368 ( -2.274 7.543 -2.292) 8.205 17.684 ( 0.775 11.204 -16.472) 19.936 18.076 ( -1.668 2.834 6.700) 7.464 18.232 ( -1.978 3.649 -8.097) 9.099 ======================= Grid point 457 (150/155) ======================= q-point: ( 0.60 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -0.852 6.186 7.308) 9.612 2.386 ( -0.460 -4.164 -0.688) 4.245 2.876 ( 3.057 -2.000 13.331) 13.822 3.038 ( -1.437 2.635 16.040) 16.318 3.111 ( 4.054 -1.076 1.150) 4.349 3.195 ( -1.880 0.888 -12.518) 12.690 3.292 ( 2.362 7.528 9.538) 12.378 3.592 ( -0.305 10.460 -5.971) 12.048 3.738 ( 0.909 10.479 0.450) 10.528 3.857 ( 0.313 0.441 3.549) 3.590 3.919 ( -0.351 3.652 -2.776) 4.601 3.997 ( 0.665 19.644 -28.417) 34.552 4.978 ( -2.492 -2.931 6.316) 7.396 5.123 ( -3.341 -1.211 -7.550) 8.345 5.416 ( 1.765 -3.407 8.027) 8.897 5.581 ( 1.892 2.291 -8.052) 8.583 6.518 ( -0.852 -18.754 18.526) 26.376 6.820 ( -0.243 -10.956 -10.858) 15.427 8.832 ( -6.234 -3.760 2.738) 7.778 8.892 ( -5.664 -4.927 -3.201) 8.161 10.719 ( 12.453 -0.851 4.764) 13.360 10.776 ( 10.882 -0.875 -0.875) 10.952 10.997 ( -5.529 11.426 3.749) 13.235 11.140 ( -6.549 14.284 -9.105) 18.162 12.150 ( 3.727 5.435 12.425) 14.065 12.325 ( 8.064 -11.756 0.982) 14.290 12.455 ( -3.437 -9.435 -2.736) 10.407 12.546 ( -8.914 -6.677 -7.229) 13.277 13.299 ( 1.048 -28.101 4.294) 28.447 13.336 ( 1.077 -27.138 1.685) 27.211 14.242 ( -0.426 -2.132 33.626) 33.696 14.923 ( -0.272 -2.255 -29.200) 29.288 15.264 ( 2.230 -7.232 6.291) 9.842 15.365 ( 1.801 -3.725 -3.997) 5.752 16.336 ( -2.857 3.760 29.667) 30.041 16.953 ( -1.181 8.734 -29.098) 30.403 17.130 ( 0.151 8.496 12.957) 15.495 17.193 ( -0.340 5.656 2.584) 6.228 17.238 ( -0.591 5.401 -3.046) 6.229 17.445 ( 0.716 14.967 -15.344) 21.446 18.026 ( -0.415 1.522 4.257) 4.540 18.145 ( -0.694 4.401 -6.859) 8.179 ======================= Grid point 458 (151/155) ======================= q-point: (-0.30 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 0.000 8.820 14.009) 16.554 2.402 ( 0.000 2.466 -9.459) 9.776 2.963 ( -0.000 -6.188 9.662) 11.474 3.021 ( -0.000 -4.110 16.915) 17.407 3.149 ( -0.000 -0.597 2.920) 2.981 3.193 ( -0.000 -1.693 -12.504) 12.618 3.235 ( 0.000 0.947 0.549) 1.094 3.431 ( 0.000 6.308 -6.868) 9.326 3.556 ( 0.000 12.827 -6.466) 14.364 3.670 ( 0.000 13.267 -17.120) 21.659 3.847 ( 0.000 0.789 0.098) 0.795 3.849 ( 0.000 3.719 -0.232) 3.727 5.030 ( -0.000 -3.696 5.133) 6.325 5.131 ( -0.000 -1.035 -4.593) 4.708 5.463 ( -0.000 -0.903 3.430) 3.547 5.529 ( 0.000 4.091 -2.879) 5.002 6.810 ( -0.000 -13.019 11.987) 17.697 6.971 ( -0.000 -5.238 -3.544) 6.325 8.893 ( -0.000 -5.641 4.068) 6.955 8.983 ( -0.000 -7.358 -4.703) 8.732 10.780 ( 0.000 6.855 0.008) 6.855 10.812 ( -0.000 -0.998 4.273) 4.388 10.856 ( 0.000 11.174 -6.982) 13.176 10.872 ( -0.000 -1.827 -1.534) 2.385 12.000 ( 0.000 9.128 13.180) 16.032 12.254 ( 0.000 11.233 -10.451) 15.343 12.627 ( -0.000 -7.916 5.153) 9.446 12.705 ( -0.000 -7.785 -2.952) 8.326 13.858 ( -0.000 -27.631 11.754) 30.027 13.973 ( -0.000 -38.145 -0.100) 38.145 14.269 ( -0.000 -0.049 34.050) 34.050 14.887 ( 0.000 8.346 -24.121) 25.524 15.339 ( 0.000 0.542 2.917) 2.966 15.349 ( 0.000 5.382 1.933) 5.718 16.318 ( -0.000 -4.479 19.145) 19.662 16.797 ( 0.000 6.800 -25.710) 26.594 17.003 ( 0.000 3.978 3.839) 5.529 17.093 ( 0.000 8.817 -1.492) 8.942 17.149 ( 0.000 3.254 -1.236) 3.481 17.205 ( 0.000 8.081 -8.806) 11.952 18.016 ( -0.000 -0.740 0.557) 0.926 18.067 ( 0.000 3.546 -4.046) 5.380 ======================= Grid point 465 (152/155) ======================= q-point: ( 0.40 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 5.117 -0.000 19.150) 19.822 2.459 ( 5.870 -0.000 -16.090) 17.127 2.766 ( 9.148 -0.000 14.428) 17.084 2.966 ( 14.964 -0.000 -5.264) 15.863 3.056 ( 1.309 -0.000 8.218) 8.321 3.291 ( -4.926 0.000 -12.803) 13.718 3.844 ( 2.567 -0.000 12.326) 12.591 3.905 ( 1.889 -0.000 12.610) 12.751 4.076 ( -0.409 0.000 -4.601) 4.619 4.181 ( 0.045 -0.000 -8.251) 8.251 4.328 ( -1.222 0.000 10.030) 10.104 4.571 ( -1.790 0.000 -9.600) 9.765 4.934 ( -2.708 0.000 8.590) 9.007 5.131 ( -6.932 0.000 -9.028) 11.383 5.377 ( -6.765 0.000 24.290) 25.214 5.386 ( 1.312 -0.000 25.554) 25.588 5.957 ( -0.450 0.000 -26.616) 26.620 5.979 ( 2.541 -0.000 -28.005) 28.120 8.868 ( -10.960 0.000 3.399) 11.475 8.927 ( -11.924 0.000 -2.388) 12.161 10.551 ( 15.664 -0.000 8.578) 17.859 10.674 ( 13.116 -0.000 -3.352) 13.538 10.946 ( 1.432 -0.000 5.396) 5.582 11.095 ( 2.752 -0.000 -8.539) 8.971 11.632 ( -6.016 0.000 5.418) 8.096 11.750 ( -9.142 0.000 -1.586) 9.279 12.556 ( 3.842 -0.000 2.683) 4.686 12.612 ( 12.130 -0.000 3.104) 12.521 12.905 ( 1.701 -0.000 -0.707) 1.842 12.943 ( -6.958 0.000 -2.214) 7.302 14.228 ( 0.314 -0.000 21.810) 21.812 14.738 ( 2.199 -0.000 8.034) 8.329 14.815 ( 0.426 -0.000 -20.885) 20.889 14.905 ( 0.833 -0.000 -17.816) 17.836 16.573 ( -0.296 0.000 36.763) 36.764 17.226 ( 3.343 -0.000 -25.077) 25.299 17.346 ( -2.173 0.000 8.107) 8.393 17.511 ( -5.658 0.000 -10.387) 11.828 17.547 ( -0.187 0.000 16.380) 16.381 17.887 ( 0.025 -0.000 -16.084) 16.084 18.149 ( -2.425 0.000 6.795) 7.215 18.299 ( -2.802 0.000 -7.361) 7.876 ======================= Grid point 466 (153/155) ======================= q-point: ( 0.50 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 2.338 -4.573 16.363) 17.150 2.476 ( 2.324 2.165 -11.855) 12.273 2.830 ( 3.778 -0.785 16.012) 16.470 3.076 ( 3.277 -0.483 4.402) 5.509 3.086 ( 8.981 -0.275 -2.808) 9.413 3.236 ( -5.947 0.574 -11.651) 13.094 3.787 ( 0.594 12.961 18.587) 22.668 3.860 ( 1.367 0.189 11.704) 11.785 4.030 ( -0.068 11.341 -4.042) 12.040 4.050 ( -0.017 3.208 -6.344) 7.109 4.244 ( -0.182 11.541 6.426) 13.211 4.503 ( -0.684 5.387 -16.186) 17.072 4.919 ( -2.483 -0.561 5.030) 5.638 5.086 ( -4.615 -0.673 -10.714) 11.685 5.257 ( 0.173 -1.449 19.673) 19.727 5.679 ( 0.002 -8.153 3.893) 9.035 5.770 ( -0.057 -4.384 0.640) 4.431 6.282 ( 0.098 -16.912 -24.614) 29.864 8.784 ( -5.914 0.791 2.792) 6.587 8.833 ( -6.051 1.086 -2.073) 6.488 10.661 ( 8.791 -0.861 6.475) 10.952 10.744 ( 7.389 0.748 -1.500) 7.576 11.208 ( 1.909 -25.023 6.586) 25.946 11.375 ( 3.269 -23.605 -8.633) 25.346 11.494 ( -4.878 7.763 4.733) 10.318 11.613 ( -5.975 7.496 -2.432) 9.890 12.507 ( 0.320 7.104 7.075) 10.031 12.700 ( 8.346 2.112 -3.233) 9.196 12.874 ( -5.885 -0.995 1.812) 6.237 12.935 ( 1.207 -2.051 -2.617) 3.537 14.216 ( 0.014 0.954 24.006) 24.025 14.792 ( 0.527 -3.295 -12.677) 13.108 14.890 ( 0.834 -8.185 -6.045) 10.209 15.016 ( 0.842 -10.115 -11.924) 15.659 16.531 ( -0.540 4.107 36.725) 36.958 17.214 ( 2.004 4.214 -28.612) 28.990 17.306 ( -1.192 2.659 7.072) 7.649 17.429 ( -3.286 3.952 -5.716) 7.687 17.498 ( -0.092 5.239 15.277) 16.150 17.839 ( 0.119 5.292 -16.545) 17.372 18.112 ( -1.084 2.161 7.087) 7.488 18.266 ( -1.286 1.618 -7.602) 7.878 ======================= Grid point 467 (154/155) ======================= q-point: ( 0.60 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -0.000 -6.070 9.041) 10.890 2.420 ( 0.000 4.823 -2.183) 5.294 2.863 ( -0.000 -1.125 13.934) 13.979 3.096 ( 0.000 1.209 8.181) 8.270 3.115 ( 0.000 0.925 3.781) 3.892 3.195 ( 0.000 0.247 -16.352) 16.354 3.514 ( 0.000 14.905 19.717) 24.717 3.801 ( 0.000 12.251 -4.799) 13.157 3.864 ( 0.000 0.163 8.009) 8.010 3.976 ( 0.000 14.869 5.129) 15.729 3.989 ( 0.000 3.802 -4.739) 6.076 4.322 ( 0.000 14.405 -27.471) 31.019 4.924 ( -0.000 -1.568 5.483) 5.703 5.084 ( -0.000 -1.239 -9.548) 9.628 5.340 ( -0.000 -5.368 12.727) 13.813 5.627 ( 0.000 2.626 -15.192) 15.417 6.133 ( -0.000 -22.133 24.833) 33.265 6.578 ( -0.000 -14.990 -18.331) 23.680 8.757 ( -0.000 -1.196 2.465) 2.740 8.807 ( -0.000 -1.511 -2.404) 2.839 10.735 ( -0.000 -2.469 4.925) 5.509 10.790 ( -0.000 -1.711 -0.304) 1.738 11.228 ( 0.000 14.724 5.739) 15.803 11.382 ( 0.000 13.928 -6.627) 15.424 11.804 ( -0.000 -35.159 7.383) 35.925 11.977 ( -0.000 -34.136 -9.282) 35.375 12.341 ( 0.000 9.677 11.736) 15.211 12.619 ( 0.000 8.359 -10.633) 13.525 12.963 ( -0.000 -10.798 5.001) 11.900 13.027 ( -0.000 -8.564 -0.748) 8.597 14.212 ( -0.000 -0.722 29.289) 29.298 14.859 ( -0.000 -3.847 -26.975) 27.248 15.091 ( -0.000 -11.571 5.160) 12.669 15.228 ( -0.000 -10.916 -8.425) 13.789 16.427 ( 0.000 6.318 35.034) 35.599 17.107 ( 0.000 7.863 -30.853) 31.839 17.236 ( 0.000 4.236 7.340) 8.475 17.328 ( 0.000 5.673 -0.244) 5.679 17.359 ( 0.000 9.137 10.302) 13.770 17.691 ( 0.000 10.929 -16.798) 20.041 18.062 ( 0.000 2.477 6.629) 7.076 18.215 ( 0.000 3.352 -7.878) 8.562 ======================= Grid point 478 (155/155) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 0.000 -0.000 19.243) 19.243 2.508 ( 0.000 -0.000 -15.434) 15.434 2.839 ( 0.000 -0.000 17.229) 17.229 3.082 ( -0.000 0.000 5.329) 5.329 3.160 ( -0.000 0.000 -0.739) 0.739 3.186 ( 0.001 -0.000 -15.249) 15.249 3.867 ( 0.000 -0.000 13.925) 13.925 3.923 ( 0.000 -0.000 15.283) 15.283 4.075 ( 0.000 -0.000 -6.982) 6.982 4.181 ( 0.000 -0.000 -9.797) 9.797 4.318 ( 0.000 -0.000 8.862) 8.862 4.559 ( 0.000 -0.000 -12.091) 12.091 4.904 ( -0.000 0.000 3.458) 3.458 5.058 ( 0.000 -0.000 -11.110) 11.110 5.315 ( 0.000 -0.000 31.400) 31.400 5.401 ( 0.000 -0.000 27.727) 27.727 5.953 ( 0.000 -0.000 -27.406) 27.406 6.002 ( 0.000 -0.000 -28.238) 28.238 8.771 ( 0.000 -0.000 3.027) 3.027 8.821 ( 0.000 -0.000 -1.923) 1.923 10.698 ( 0.000 -0.000 6.812) 6.812 10.797 ( -0.000 0.000 -2.641) 2.641 10.961 ( 0.000 -0.000 6.340) 6.340 11.126 ( 0.000 -0.000 -9.253) 9.253 11.570 ( 0.000 -0.000 4.892) 4.892 11.654 ( -0.000 0.000 1.462) 1.462 12.587 ( -0.000 0.000 5.157) 5.157 12.797 ( 0.003 -0.000 -7.017) 7.017 12.804 ( -0.003 0.000 7.549) 7.549 12.923 ( 0.000 -0.000 -3.989) 3.989 14.231 ( 0.000 -0.000 21.304) 21.304 14.758 ( 0.000 -0.000 7.787) 7.787 14.818 ( -0.000 0.000 -23.097) 23.097 14.913 ( 0.000 -0.000 -15.211) 15.211 16.570 ( 0.000 -0.000 37.256) 37.256 17.266 ( -0.000 0.000 -30.696) 30.696 17.326 ( -0.000 0.000 7.583) 7.583 17.449 ( 0.000 -0.000 -4.974) 4.974 17.545 ( 0.000 -0.000 16.330) 16.330 17.887 ( 0.000 -0.000 -16.201) 16.201 18.129 ( 0.000 -0.000 6.672) 6.672 18.274 ( 0.000 -0.000 -7.077) 7.077 =================== 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 3/37800 10.0 1737.620 479.749 559.139 0.000 0.000 -0.000 3/37800 20.0 552.238 345.807 478.132 0.000 0.000 -0.000 3/37800 30.0 277.850 218.708 299.047 0.000 0.000 -0.000 3/37800 40.0 175.214 156.124 207.252 0.000 0.000 -0.000 3/37800 50.0 125.124 122.299 157.834 0.000 0.000 -0.000 3/37800 60.0 95.960 100.977 127.424 0.000 0.000 -0.000 3/37800 70.0 76.792 85.747 106.351 0.000 0.000 -0.000 3/37800 80.0 63.169 73.999 90.547 0.000 0.000 -0.000 3/37800 90.0 53.016 64.571 78.156 0.000 0.000 -0.000 3/37800 100.0 45.227 56.863 68.208 0.000 0.000 -0.000 3/37800 110.0 39.132 50.498 60.113 0.000 0.000 -0.000 3/37800 120.0 34.288 45.206 53.461 0.000 0.000 -0.000 3/37800 130.0 30.386 40.780 47.949 0.000 0.000 -0.000 3/37800 140.0 27.201 37.053 43.346 0.000 0.000 -0.000 3/37800 150.0 24.571 33.893 39.471 0.000 0.000 -0.000 3/37800 160.0 22.375 31.195 36.183 0.000 0.000 -0.000 3/37800 170.0 20.520 28.875 33.370 0.000 0.000 -0.000 3/37800 180.0 18.939 26.864 30.945 0.000 0.000 -0.000 3/37800 190.0 17.578 25.109 28.839 0.000 0.000 -0.000 3/37800 200.0 16.396 23.568 26.996 0.000 0.000 -0.000 3/37800 210.0 15.362 22.204 25.373 0.000 0.000 -0.000 3/37800 220.0 14.451 20.992 23.935 0.000 0.000 -0.000 3/37800 230.0 13.642 19.906 22.652 0.000 0.000 -0.000 3/37800 240.0 12.921 18.930 21.502 0.000 0.000 -0.000 3/37800 250.0 12.272 18.047 20.465 0.000 0.000 -0.000 3/37800 260.0 11.687 17.245 19.526 0.000 0.000 -0.000 3/37800 270.0 11.157 16.514 18.671 0.000 0.000 -0.000 3/37800 280.0 10.673 15.844 17.891 0.000 0.000 -0.000 3/37800 290.0 10.231 15.228 17.175 0.000 0.000 -0.000 3/37800 300.0 9.825 14.659 16.516 0.000 0.000 -0.000 3/37800 310.0 9.451 14.133 15.908 0.000 0.000 -0.000 3/37800 320.0 9.106 13.645 15.344 0.000 0.000 -0.000 3/37800 330.0 8.785 13.191 14.820 0.000 0.000 -0.000 3/37800 340.0 8.487 12.767 14.332 0.000 0.000 -0.000 3/37800 350.0 8.209 12.370 13.876 0.000 0.000 -0.000 3/37800 360.0 7.950 11.998 13.450 0.000 0.000 -0.000 3/37800 370.0 7.706 11.648 13.050 0.000 0.000 -0.000 3/37800 380.0 7.478 11.319 12.673 0.000 0.000 -0.000 3/37800 390.0 7.263 11.008 12.319 0.000 0.000 -0.000 3/37800 400.0 7.061 10.715 11.984 0.000 0.000 -0.000 3/37800 410.0 6.870 10.437 11.668 0.000 0.000 -0.000 3/37800 420.0 6.689 10.174 11.368 0.000 0.000 -0.000 3/37800 430.0 6.518 9.924 11.084 0.000 0.000 -0.000 3/37800 440.0 6.356 9.687 10.814 0.000 0.000 -0.000 3/37800 450.0 6.201 9.460 10.558 0.000 0.000 -0.000 3/37800 460.0 6.055 9.245 10.314 0.000 0.000 -0.000 3/37800 470.0 5.915 9.039 10.081 0.000 0.000 -0.000 3/37800 480.0 5.782 8.842 9.858 0.000 0.000 -0.000 3/37800 490.0 5.654 8.654 9.646 0.000 0.000 -0.000 3/37800 500.0 5.533 8.474 9.442 0.000 0.000 -0.000 3/37800 510.0 5.416 8.302 9.248 0.000 0.000 -0.000 3/37800 520.0 5.305 8.136 9.061 0.000 0.000 -0.000 3/37800 530.0 5.198 7.977 8.882 0.000 0.000 -0.000 3/37800 540.0 5.095 7.825 8.710 0.000 0.000 -0.000 3/37800 550.0 4.997 7.678 8.545 0.000 0.000 -0.000 3/37800 560.0 4.902 7.537 8.386 0.000 0.000 -0.000 3/37800 570.0 4.811 7.401 8.233 0.000 0.000 -0.000 3/37800 580.0 4.724 7.269 8.085 0.000 0.000 -0.000 3/37800 590.0 4.639 7.143 7.943 0.000 0.000 -0.000 3/37800 600.0 4.558 7.021 7.806 0.000 0.000 -0.000 3/37800 610.0 4.479 6.903 7.673 0.000 0.000 -0.000 3/37800 620.0 4.403 6.789 7.546 0.000 0.000 -0.000 3/37800 630.0 4.330 6.678 7.422 0.000 0.000 -0.000 3/37800 640.0 4.259 6.572 7.302 0.000 0.000 -0.000 3/37800 650.0 4.191 6.469 7.187 0.000 0.000 -0.000 3/37800 660.0 4.125 6.369 7.075 0.000 0.000 -0.000 3/37800 670.0 4.060 6.272 6.966 0.000 0.000 -0.000 3/37800 680.0 3.998 6.178 6.861 0.000 0.000 -0.000 3/37800 690.0 3.938 6.086 6.759 0.000 0.000 -0.000 3/37800 700.0 3.879 5.998 6.660 0.000 0.000 -0.000 3/37800 710.0 3.823 5.912 6.564 0.000 0.000 -0.000 3/37800 720.0 3.768 5.829 6.470 0.000 0.000 -0.000 3/37800 730.0 3.714 5.747 6.380 0.000 0.000 -0.000 3/37800 740.0 3.662 5.669 6.292 0.000 0.000 -0.000 3/37800 750.0 3.612 5.592 6.206 0.000 0.000 -0.000 3/37800 760.0 3.563 5.517 6.122 0.000 0.000 -0.000 3/37800 770.0 3.515 5.445 6.041 0.000 0.000 -0.000 3/37800 780.0 3.468 5.374 5.962 0.000 0.000 -0.000 3/37800 790.0 3.423 5.305 5.885 0.000 0.000 -0.000 3/37800 800.0 3.379 5.238 5.811 0.000 0.000 -0.000 3/37800 810.0 3.336 5.172 5.738 0.000 0.000 -0.000 3/37800 820.0 3.294 5.109 5.666 0.000 0.000 -0.000 3/37800 830.0 3.253 5.046 5.597 0.000 0.000 -0.000 3/37800 840.0 3.214 4.986 5.529 0.000 0.000 -0.000 3/37800 850.0 3.175 4.926 5.463 0.000 0.000 -0.000 3/37800 860.0 3.137 4.869 5.399 0.000 0.000 -0.000 3/37800 870.0 3.100 4.812 5.336 0.000 0.000 -0.000 3/37800 880.0 3.064 4.757 5.274 0.000 0.000 -0.000 3/37800 890.0 3.029 4.703 5.214 0.000 0.000 -0.000 3/37800 900.0 2.994 4.650 5.155 0.000 0.000 -0.000 3/37800 910.0 2.961 4.599 5.098 0.000 0.000 -0.000 3/37800 920.0 2.928 4.548 5.042 0.000 0.000 -0.000 3/37800 930.0 2.895 4.499 4.987 0.000 0.000 -0.000 3/37800 940.0 2.864 4.451 4.933 0.000 0.000 -0.000 3/37800 950.0 2.833 4.403 4.881 0.000 0.000 -0.000 3/37800 960.0 2.803 4.357 4.829 0.000 0.000 -0.000 3/37800 970.0 2.774 4.312 4.779 0.000 0.000 -0.000 3/37800 980.0 2.745 4.268 4.729 0.000 0.000 -0.000 3/37800 990.0 2.716 4.224 4.681 0.000 0.000 -0.000 3/37800 1000.0 2.689 4.182 4.634 0.000 0.000 -0.000 3/37800 Thermal conductivity related properties were written into "kappa-m10109.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:39:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|